CASEINECSJRC CODEChemical NameSMILES
10262-69-8233-599-4MaprotilineCNCCCC12CCC(C3=CC=CC=C13)C1=C2C=CC=C1
103-90-2203-157-54-Acetamidophenolc1(ccc(cc1)O)NC(=O)C
113-45-1204-028-6MethylphenidateCOC(=O)C(C1CCCCN1)c2ccccc2
113-48-4204-029-14,7-Methano-1h-Isoindole-1,3(2h)-Dione, 2-(2-Ethylhexyl)-3a,4,7,7a-Tetrahydro-CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O
1162-65-8214-603-3Aflatoxin B1COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(CCC5=O)c14
117718-60-2601-493-03-Pyridinecarboxylic Acid, 2-(Difluoromethyl)-5-(4,5-Dihydro-2-Thiazolyl)-4-(2-Methylpropyl)-6-(Trifluoromethyl)-, Methyl EsterCOC(=O)c1c(CC(C)C)c(C2=NCCS2)c(nc1C(F)F)C(F)(F)F
120068-37-3601-663-41h-Pyrazole-3-Carbonitrile, 5-Amino-1-[2,6-Dichloro-4-(Trifluoromethyl)Phenyl]-4-[(Trifluoromethyl)Sulfinyl]-Nc1c(c(nn1c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F
121-75-5204-497-7MalathionCCOC(=O)CC(S[P](=S)(OC)OC)C(=O)OCC
121552-61-2601-785-8CyprodinilCc1cc(nc(Nc2ccccc2)n1)C3CC3
123343-16-8602-931-3Benzoic Acid, 2-Chloro-6-[(4,6-Dimethoxy-2-Pyrimidinyl)Thio]-, Sodium Salt (1:1)c1(nc(OC)cc(n1)OC)Sc1c(C(=O)[O-])c(Cl)ccc1.[Na+]
125-84-8204-756-4AminoglutethimideCCC1(CCC(=O)NC1=O)c2ccc(N)cc2
135410-20-7603-921-1AcetamipridCN(Cc1ccc(Cl)nc1)\C(=N\C#N)\C
141-66-2205-494-3DicrotophosCOP(=O)(OC)O\C(=C\C(=O)N(C)C)\C
141112-29-0604-222-4Methanone, (5-Cyclopropyl-4-Isoxazolyl)[2-(Methylsulfonyl)-4-(Trifluoromethyl)Phenyl]-CS(=O)(=O)c1cc(ccc1C(=O)c2cnoc2C3CC3)C(F)(F)F
153233-91-1604-891-2Oxazole, 2-(2,6-Difluorophenyl)-4-[4-(1,1-Dimethylethyl)-2-Ethoxyphenyl]-4,5-Dihydro-CCOc1cc(ccc1C2COC(=N2)c3c(F)cccc3F)C(C)(C)C
155569-91-8605-015-1Avermectin B1, 4"-Deoxy-4"-(Methylamino)-, (4"R)-, Benzoate (1:1)CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](NC)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C.CN[C@H]8[C@H](C)O[C@H](C[C@@H]8OC)O[C@H]9[C@H](C)O[C@H](C[C@@H]9OC)O[C@H]%10[C@@H](C)\C=C\C=C\%11/CO[C@@H]%12[C@H](O)C(=C[C@@H](C(=O)O[C@H]%13C[C@@H](C\C=C\%10/C)O[C@@]%14(C%13)O[C@H](C(C)C)[C@@H](C)C=C%14)[C@]%11%12O)C
156052-68-5605-037-1ZoxamideCCC(C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(=O)CCl
15687-27-1239-784-6Benzeneacetic Acid, α-Methyl-4-(2-Methylpropyl)-CC(C)Cc1ccc(cc1)C(C)C(=O)O
15972-60-8240-110-8AlachlorCCc1cccc(CC)c1N(COC)C(=O)CCl
175013-18-0605-747-1Carbamic Acid, N-[2-[[[1-(4-Chlorophenyl)-1h-Pyrazol-3-Yl]Oxy]Methyl]Phenyl]-N-Methoxy-, Methyl EsterCON(C(=O)OC)c1ccccc1COc2ccn(n2)c3ccc(Cl)cc3
1763-23-1217-179-8Heptadecafluorooctanesulfonic 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
1912-24-9217-617-8AtrazineCCNc1nc(Cl)nc(NC(C)C)n1
20830-75-5244-068-1DigoxinC[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:46|
21087-64-9244-209-71,2,4-Triazin-5(4h)-One, 4-Amino-6-(1,1-Dimethylethyl)-3-(Methylthio)-CSC1=NN=C(C(=O)N1N)C(C)(C)C
22224-92-6244-848-1Phosphoramidic Acid, N-(1-Methylethyl)-, Ethyl 3-Methyl-4-(Methylthio)Phenyl EsterCCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1
25057-89-0246-585-8BentazonCC(C)N1C(=O)c2ccccc2NS1(=O)=O
2921-88-2220-864-4Phosphorothioic Acid, O,O-Diethyl O-(3,5,6-Trichloro-2-Pyridinyl) EsterCCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
298-00-0206-050-1Phosphorothioic Acid, O,O-Dimethyl O-(4-Nitrophenyl) EsterCOP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]
298-46-4206-062-7CarbazepineNC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|
300-62-9206-096-2AmphetamineCC(N)CC1=CC=CC=C1
31218-83-4250-517-22-Butenoic Acid, 3-[[(Ethylamino)Methoxyphosphinothioyl]Oxy]-, 1-Methylethyl Ester, (2e)-CCNP(=S)(OC)O\C(=C\C(=O)OC(C)C)\C
314-40-9206-245-1BromacilCCC(C)N1C(=O)NC(=C(Br)C1=O)C
32598-13-3-1,1'-Biphenyl, 3,3',4,4'-Tetrachloro-Clc1ccc(cc1Cl)-c2ccc(Cl)c(Cl)c2
330-54-1206-354-4DiuronCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
33284-52-5-1,.1'-.Biphenyl, 3,.3',.5,.5'-.tetrachloro-ClC1=CC(=CC(Cl)=C1)C1=CC(Cl)=CC(Cl)=C1
3380-34-5222-182-2IrgasanOc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl
33979-03-2251-773-82,2',4,4',6,6'-HexachlorobiphenylClc1cc(Cl)c(c(Cl)c1)c2c(Cl)cc(Cl)cc2Cl
34256-82-1251-899-3AcetochlorCCOCN(C(=O)CCl)c1c(C)cccc1CC
35065-27-1-1,1'-Biphenyl, 2,2',4,4',5,5'-Hexachloro-Clc1cc(Cl)c(cc1Cl)-c2cc(Cl)c(Cl)cc2Cl
3737-09-5223-110-2Disopyramiden1ccccc1C(c2ccccc2)(C(=O)N)CCN(C(C)C)C(C)C
38411-22-2-1,1'-Biphenyl, 2,2',3,3',6,6'-Hexachloro-Clc1ccc(Cl)c(c1Cl)-c2c(Cl)ccc(Cl)c2Cl
389-08-2206-864-7Nalidixic AcidCCn1cc(c(=O)c2c1nc(cc2)C)C(=O)O
39515-41-8254-485-0FenpropathrinCC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
43121-43-3256-103-8TriadimefonCC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2
439-14-5207-122-5DiazepamC=1(c2c(N(C)C(CN1)=O)ccc(c2)Cl)c1ccccc1
469-62-5207-420-5DextropropoxypheneCCC(=O)O[C@@](Cc1ccccc1)([C@H](C)CN(C)C)c2ccccc2
50-06-6200-007-0PhenobarbitalCCC1(C(=O)NC(=O)NC1(=O))c2ccccc2
50-29-3200-024-3ClofenotaneClc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
50-48-6200-041-6AmitriptylineCN(C)CCC=C1c2ccccc2CCc3ccccc13
50-52-2200-044-2ThioridazineCSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1
51-06-9200-078-8ProcainamideCCN(CC)CCNC(=O)c1ccc(N)cc1
51-55-8200-104-8AtropineCN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3
51630-58-1257-326-3Cyano (3-Phenoxybenzyl)-2-(4-Chlorophenyl)-3-MethylbutyrateCC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3
52-53-9200-145-1VerapamilCOc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
52-86-8200-155-6HaloperidolOC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
525-66-6208-378-0PropranololCC(C)NC[C@@H](O)COc1cccc2ccccc12
54-11-5200-193-3NicotineCN1CCC[C@H]1C1=CN=CC=C1
54-62-6200-209-9AminopterinNc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1
54-85-3200-214-6IsoniazidNNC(=O)c1ccncc1
55-98-1200-250-2BusulfanC[S](=O)(=O)OCCCCO[S](C)(=O)=O
56-38-2200-271-7ParathionCCO[P](=S)(OCC)OC1=CC=C(C=C1)[N](=O)=O
56-54-2200-279-0QuinidineCOc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@@]3C[C@@H]4C=C)O
56-75-7200-287-4ChloramphenicolOC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N](=O)=O
57-24-9200-319-7Strychnine[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=CC=CC=C7[C@@]1(CC[N@]2C4)[C@]6([H])[C@@]35[H]
57-41-0200-328-6PhenytoinO=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3
57-47-6200-332-8Physostigmine[H][C@]12N(C)CC[C@@]1(C)C1=CC(OC(=O)NC)=CC=C1N2C
57837-19-1260-979-7MetalaxylCOCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C
58-08-2200-362-1CaffeineO=C1C2=C(N=CN2C)N(C(=O)N1C)C
58-55-9200-385-7TheophyllineO=C2C=1/N=C\NC=1N(C)C(=O)N2C
58-73-1200-396-7DiphenhydramineO(C(c(cccc1)c1)c(cccc2)c2)CCN(C)C
60-80-0200-486-6PhenazoneCN1N(C(=O)C=C1C)c2ccccc2
6153-64-6612-168-8Oxytetracycline DihydrateO.O.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@@]2(O)C(=O)C(C(N)=O)=C1O
63-25-2200-555-0CarbarylCNC(=O)Oc1cccc2ccccc12
64-86-8200-598-5ColchicineCOC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=CC(=O)C(OC)=CC=C23)=C1
65195-55-3265-610-3AbamectinCC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C
66-81-9200-636-0Cicloheximide[H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1
68157-60-8614-346-0ForchlorfenuronClc1cc(NC(=O)Nc2ccccc2)ccn1
69327-76-0614-948-3BuprofezinCC(C)N1C(=NC(C)(C)C)SCN(C1=O)c2ccccc2
72490-01-8276-696-7FenoxycarbCCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1
741-58-2212-010-4BensulideCC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1
76-74-4200-983-8PentobarbitalCCCC(C)C1(CC)C(=O)NC(=O)NC1=O
76-99-3200-996-9MethadoneCCC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2
77-06-5201-001-0Gibberellic Acid[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O
80-05-7201-245-8Bisphenol AC(C1C=CC(=CC=1)O)(C2=CC=C(C=C2)O)(C)C
81-81-2201-377-6WarfarinC1=CC=C3C(=C1)OC(=O)C(C(CC(C)=O)C2=CC=CC=C2)=C3O
82558-50-7617-354-2IsoxabenCCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1
83-79-4201-501-9RotenoneCOc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(=C)C
83-98-7201-509-2OrphenadrineCN(C)CCOC(c1ccccc1)c2ccccc2C
84-66-2201-550-6Diethyl PhthalateCCOC(=O)C1=C(C=CC=C1)C(=O)OCC
84-74-2201-557-4Dibutyl PhthalateCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCC
94-13-3202-307-7Benzoic Acid, 4-Hydroxy-, Propyl EsterO=C(OCCC)c(ccc(O)c1)c1
94-75-7202-361-12,4-Dc1(c(cc(Cl)cc1)Cl)OCC(O)=O
962-58-3-DiazoxonCCOP(=O)(OCC)Oc1cc(C)nc(n1)C(C)C