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TOXCAST PHASE II: US EPA ToxCast list - phase II The US EPA's ToxCast program aims to address concerns over animal use and the thousands of environmental chemicals lacking toxicity data by screening and prioritizing chemicals for potential human toxicity using in vitro assays and in silico approaches. During Phase II, 700 additional chemicals are being screened, including drugs, green chemicals, and chemicals in consumer products. 1 (535 chemicals) download  excel file 
CASEINECSChemical NameSMILES
100-00-5 202-809-61-Chloro-4-Nitrobenzene[O-][N+](=O)c1ccc(Cl)cc1
100-01-6 202-810-14-NitroanilineNc1ccc(cc1)[N+](=O)[O-]
100-37-8 202-845-22-DiethylaminoethanolCCN(CC)CCO
100-41-4 202-849-4EthylbenzeneCCc1ccccc1
100-42-5 202-851-5Benzene, Ethenyl-C=Cc1ccccc1
100-44-7 202-853-6Alpha-ChlorotolueneClCc1ccccc1
100-51-6 202-859-9Benzyl AlcoholOCc1ccccc1
100-52-7 202-860-4BenzaldehydeO=Cc1ccccc1
10026-24-1 600-050-9Cobalt(Ii) Sulfate (1:1), HeptahydrateO.O.O.O.O.O.O.[Co+2].OS(=O)(=O)O
10028-15-6 233-069-2Ozone[O-][O+]=O
10043-35-3 233-139-2Boric AcidOB(O)O
10049-04-4 233-162-8Chlorine Dioxide[O]Cl=O |^1:0|
101-14-4 202-918-94,4'-Methylenebis[2-Chloroaniline]Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl
101-20-2 202-924-1TriclocarbanClc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
101-61-1 202-959-2N,N,N',N'-Tetramethyl-4,4'-MethylenedianilineCN(C)c1ccc(Cc2ccc(cc2)N(C)C)cc1
101-68-8 202-966-04,4'-Methylenediphenyl DiisocyanateO=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1
101-77-9 202-974-44,4'-MethylenedianilineNc1ccc(Cc2ccc(N)cc2)cc1
101-90-6 202-987-5M-Bis(2,3-Epoxypropoxy)BenzeneC(Oc1cccc(OCC2CO2)c1)C3CO3
101-96-2 202-992-2N,N'-Di-Sec-Butyl-P-PhenylenediamineCCC(C)Nc1ccc(NC(C)CC)cc1
10108-64-2 233-296-7Cadmium Chloride[Cd](Cl)Cl
102-06-7 203-002-11,3-DiphenylguanidineN=C(Nc1ccccc1)Nc2ccccc2
102-76-1 203-051-91,2,3-Propanetriol, 1,2,3-TriacetateCC(=O)OCC(COC(C)=O)OC(C)=O
10262-69-8 233-599-4MaprotilineCNCCCC12CCC(C3=CC=CC=C13)C1=C2C=CC=C1
103-11-7 203-080-72-Propenoic Acid, 2-Ethylhexyl EsterCCCCC(CC)COC(=O)C=C
103-33-3 203-102-5Azobenzenec1ccc(cc1)N=Nc2ccccc2
103-85-5 203-151-2Phenyl-2-ThioureaNC(=S)Nc1ccccc1
103-90-2 203-157-54-Acetamidophenolc1(ccc(cc1)O)NC(=O)C
103361-09-7 600-425-71h-Isoindole-1,3(2h)-Dione, 2-[7-Fluoro-3,4-Dihydro-3-Oxo-4-(2-Propyn-1-Yl)-2h-1,4-Benzoxazin-6-Yl]-4,5,6,7-Tetrahydro-Fc1cc2OCC(=O)N(CC#C)c2cc1N3C(=O)C4=C(CCCC4)C3=O
10377-48-7 233-820-4Sulfuric Acid, Lithium Salt (1:2)[O-]S([O-])(=O)=O.[Li+].[Li+]
104-76-7 203-234-32-Ethylhexan-1-OlCCCCC(CC)CO
105-60-2 203-313-2ε-caprolactamO=C1CCCCCN1
105-87-3 203-341-5Geranyl AcetateCC(=CCC\C(=C\COC(=O)C)\C)C
106-44-5 203-398-6Phenol, 4-Methyl-Cc1ccc(O)cc1
106-46-7 203-400-51,4-DichlorobenzeneClc1ccc(Cl)cc1
106-47-8 203-401-0Benzenamine, 4-Chloro-Nc1ccc(Cl)cc1
106-49-0 203-403-1P-ToluidineCc1ccc(N)cc1
106-87-6 203-437-77-Oxa-3-Oxiranylbicyclo[4.1.0]HeptaneC1CC2OC2CC1C3CO3
106-92-3 203-442-4Allyl 2,3-Epoxypropyl EtherC=CCOCC1CO1
106-99-0 203-450-8Buta-1,3-DieneC=CC=C
10605-21-7 234-232-0Carbamic Acid, N-1h-Benzimidazol-2-Yl-, Methyl EsterCOC(=O)Nc1nc2ccccc2[nH]1
106325-08-0 600-739-4EpoxiconazoleFc1ccc(cc1)C2(Cn3cncn3)OC2c4ccccc4Cl
1069-66-5 213-961-8Pentanoic Acid, 2-Propyl-, Sodium Salt (1:1)C(CCC)(CCC)C(=O)[O-].[Na+]
107-02-8 203-453-42-PropenalC=CC=O
107-06-2 203-458-11,2-DichloroethaneClCCCl
107-13-1 203-466-5AcrylonitrileC=CC#N
107-18-6 203-470-7Allyl AlcoholOCC=C
107-21-1 203-473-31,2-EthanediolOCCO
107-30-2 203-480-1Chloromethyl Methyl EtherCOCCl
107-92-6 203-532-3Butyric AcidCCCC(=O)O
107534-96-3 600-834-01h-1,2,4-Triazole-1-Ethanol, -[2-(4-Chlorophenyl)Ethyl]--(1,1-Dimethylethyl)-CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn2cncn2
108-03-2 203-544-91-NitropropaneCCC[N+](=O)[O-]
108-05-4 203-545-4Acetic Acid Ethenyl EsterCC(=O)OC=C
108-11-2 203-551-74-Methylpentan-2-OlCC(C)CC(C)O
108-31-6 203-571-6Maleic AnhydrideO=C1OC(=O)C=C1
108-39-4 203-577-9M-CresolCc1cccc(O)c1
108-46-3 203-585-21,3-BenzenediolOc1cccc(O)c1
108-88-3 203-625-9TolueneCc1ccccc1
108-91-8 203-629-0CyclohexylamineNC1CCCCC1
108-93-0 203-630-6CyclohexanolOC1CCCCC1
108-94-1 203-631-1CyclohexanoneO=C1CCCCC1
108-95-2 203-632-7PhenolOc(cccc1)c1
109-69-3 203-696-61-ChlorobutaneCCCCCl
109-86-4 203-713-7Ethanol, 2-Methoxy-COCCO
109-99-9 203-726-8TetrahydrofuranC1CCOC1
1095-90-5 214-140-7Methadone HydrochlorideCl.CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
110-01-0 203-728-9TetrahydrothiopheneC1CCSC1
110-12-3 203-737-85-Methylhexan-2-OneCC(C)CCC(=O)C
110-82-7 203-806-2CyclohexaneC1CCCCC1
110-86-1 203-809-9Pyridinec1ccncc1
111-15-9 203-839-22-Ethoxyethyl AcetateCCOCCOC(=O)C
111-27-3 203-852-3Hexan-1-OlCCCCCCO
111-42-2 203-868-02,2'-IminodiethanolOCCNCCO
111-46-6 203-872-2Diethylene Glycol (8ci)OCCOCCO
111-55-7 203-881-1Ethylene Di(Acetate)CC(=O)OCCOC(=O)C
111-94-4 203-922-33,3'-IminodipropiononitrileN#CCCNCCC#N
1119-40-0 214-277-2Dimethyl GlutarateCOC(=O)CCCC(=O)OC
112-05-0 203-931-2Nonanoic AcidCCCCCCCCC(O)=O
112-07-2 203-933-3Ethanol, 2-Butoxy-, 1-AcetateCCCCOCCOC(C)=O
112-34-5 203-961-6Ethanol, 2-(2-Butoxyethoxy)-CCCCOCCOCCO
112-53-8 203-982-0Dodecan-1-OlCCCCCCCCCCCCO
115-07-1 204-062-1PropeneCC=C
115-28-6 204-078-91,4,5,6,7,7-Hexachloro-8,9,10-Trinorborn-5-Ene-2,3-Dicarboxylic AcidOC(=O)C1C(C(=O)O)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl
115-29-7 204-079-4EndosulphanClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl |c:1|
115-96-8 204-118-5Tris(2-Chloroethyl) PhosphateClCCOP(=O)(OCCCl)OCCCl
116-06-3 204-123-2AldicarbCNC(=O)O\N=C\C(C)(C)SC
116-16-5 204-129-5HexachloroacetoneClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl
116355-83-0 Fumonisin B1CCCC[C@H](C)[C@@H](OC(=O)C[C@H](CC(O)=O)C(O)=O)[C@@H](C[C@H](C)C[C@@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(O)=O)C(O)=O
117-81-7 204-211-0Dioctyl PhthalateCCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC
118-74-1 204-273-9HexachlorobenzeneClc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
118-92-3 204-287-5Anthranilic AcidNc1ccccc1C(=O)O
118-96-7 204-289-62,4,6-TrinitrotolueneCc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
119-53-9 204-331-3BenzoinOC(C(=O)c1ccccc1)c2ccccc2
119-61-9 204-337-6Methanone, Diphenyl-O=C(c1ccccc1)c2ccccc2
119-90-4 204-355-43,3'-DimethoxybenzidineCOc1cc(ccc1N)c2ccc(N)c(OC)c2
119-93-7 204-358-04,4'-Bi-O-ToluidineCc1cc(ccc1N)c2ccc(N)c(C)c2
120-12-7 204-371-1Anthracenec1ccc2cc3ccccc3cc2c1
120-40-1 204-393-1N,N-Bis(2-Hydroxyethyl)DodecanamideCCCCCCCCCCCC(=O)N(CCO)CCO
120-78-5 204-424-9Di(Benzothiazol-2-Yl) DisulphideS(Sc1nc2ccccc2s1)c3nc4ccccc4s3
120-80-9 204-427-5PyrocatecholOc1ccccc1O
120-83-2 204-429-6Phenol, 2,4-Dichloro-Oc1ccc(Cl)cc1Cl
1327-53-3 215-481-4Arsenic Oxide (As2O3)O1[As]2O[As]1O2
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