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EPA VLIVER: The Virtual Liver Project: Modeling Tissue Response To Chemicals Through Multiscale Simul The Virtual Liver Pilot Chemical list consist of matrix of chemicals spanning ToxCast Phase I from two categorizations: a) the in vitro assay results for the 309 chemicals in ToxCast. Phase I can be grouped into seven broad clusters of human nuclear receptor activity, spanning from promiscuous, highly active compounds to compounds with minimal or no activity among any assay and b) a subset of these chemicals can be organized by observed hepatic lesions in chronic rodent toxicity studies (ToxRefDB), with some compounds showing progression toward lesions in both rats and mice, some being species specific, and some having no observed effect in either. To these chemicals EPA add a list of 7 well-known hepatic toxicants, including paracetamol and phenobarbital, for a total of 29 compounds 1 (29 chemicals) download EPA VLIVER excel file 
CASEINECSJRC CODEChemical NameSMILES
117-81-7204-211-0JRC-000177Dioctyl PhthalateCCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC
1763-23-1217-179-8JRC-000286Heptadecafluorooctanesulfonic acid solutionOS(=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
43121-43-3256-103-8JRC-000302TriadimefonCC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2
52645-53-1258-067-9JRC-000288PermethrinCC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1
23031-36-9245-387-9JRC-000290PrallethrinCC(=CC1C(C(=O)OC2CC(=O)C(=C2C)CC#C)C1(C)C)C
80-05-7201-245-8JRC-000178Bisphenol AC(C1C=CC(=CC=1)O)(C2=CC=C(C=C2)O)(C)C
84-74-2201-557-4JRC-000189Dibutyl PhthalateCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCC
28434-00-6249-013-5JRC-000295S-BioallethrinCC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C
50892-23-4-JRC-000549Pirinixic AcidCc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
67-66-3200-663-8JRC-000024ChloroformClC(Cl)Cl
122-34-9204-535-2JRC-000296SimazineCCNc1nc(Cl)nc(NCC)n1
50-06-6200-007-0JRC-000015PhenobarbitalCCC1(C(=O)NC(=O)NC1(=O))c2ccccc2
50471-44-8256-599-6JRC-000232VinclozolinCC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C
60207-90-1262-104-4JRC-000292PropiconazoleCCCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl
55-18-5200-226-1JRC-000835DiethylnitrosoamineCCN(CC)N=O
56-23-5200-262-8JRC-000257Carbon TetrachlorideClC(Cl)(Cl)Cl
637-07-0211-277-4-ClofibrateCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
1912-24-9217-617-8JRC-000175AtrazineCCNc1nc(Cl)nc(NC(C)C)n1
335-67-1206-397-9JRC-000287Perfluorooctanoic acidOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
3380-34-5222-182-2JRC-000303IrgasanOc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl
103-90-2203-157-5JRC-0000024-Acetamidophenolc1(ccc(cc1)O)NC(=O)C
35554-44-0252-615-0JRC-000270ImazalilClc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1
4376-20-9224-477-1-Phthalic Acid, Mono-2-Ethyl Hexyl EsterCCCCC(CC)COC(=O)c1ccccc1C(O)=O
52315-07-8257-842-9JRC-000318CypermethrinCC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2
88671-89-0618-198-8JRC-000274MyclobutanilCCCCC(Cn1cncn1)(C#N)c2ccc(Cl)cc2
94361-06-5619-020-1JRC-000319CyproconazoleCC(C1CC1)C(O)(Cn2cncn2)c3ccc(Cl)cc3
131983-72-7603-543-7JRC-000304TriticonazoleCC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn3cncn3
79983-71-4616-763-3JRC-000268HexaconazoleCCCCC(O)(Cn1cncn1)c2ccc(Cl)cc2Cl
85509-19-9617-717-5JRC-000267FlusilazoleC[Si](Cn1cncn1)(c2ccc(F)cc2)c3ccc(F)cc3

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