http://www.opentox.org/api/1.1#CASRN
15323-35-0
http://www.opentox.org/api/1.1#EINECS
239-360-0
http://www.opentox.org/api/1.1#ChemicalName
1,1,2,3,3,6-hexamethylindan-5-yl methyl ketone
ACETYL HEXAMETHYL INDAN
http://www.opentox.org/api/1.1#CASRN
1506-02-1
21145-77-7
http://www.opentox.org/api/1.1#EINECS
216-133-4
http://www.opentox.org/api/1.1#ChemicalName
1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)ethan-1-one
ACETYL HEXAMETHYL TETRALIN
Tonalid
tonalid
http://www.opentox.org/api/1.1#IUPACName
1-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
http://www.opentox.org/api/1.1#SMILES
CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C
O=C(C)C1=CC2=C(C(C)(C)C(C)CC(C)2C)C=C1C
http://www.opentox.org/api/1.1#CASRN
25085-20-5
http://www.opentox.org/api/1.1#EINECS
607-531-2
http://www.opentox.org/api/1.1#ChemicalName
ADIPIC ACID/DIETHYLENETRIAMINE COPOLYMER
Hexanedioic acid, polyamide with N-(2-aminoethyl)-1,2-ethanediamine
http://www.opentox.org/api/1.1#CASRN
31691-97-1
http://www.opentox.org/api/1.1#EINECS
http://www.opentox.org/api/1.1#ChemicalName
4-Nonylphenol, ethoxylated, sulfates, ammonium salts, 30 mol EO (average molar ratio)
AMMONIUM NONOXYNOL-30 SULFATE
http://www.opentox.org/api/1.1#CASRN
31691-97-1
http://www.opentox.org/api/1.1#EINECS
http://www.opentox.org/api/1.1#ChemicalName
4-Nonylphenol, ethoxylated, sulfates, ammonium salts, 4 mol EO (average molar ratio)
AMMONIUM NONOXYNOL-4 SULFATE
http://www.opentox.org/api/1.1#CASRN
134134-87-5
http://www.opentox.org/api/1.1#EINECS
603-796-3
http://www.opentox.org/api/1.1#ChemicalName
AVENA SATIVA PROTEIN
Avena Sativa Protein is a protein obtained from the kernels of oat, Avena sativa, Poaceae
http://www.opentox.org/api/1.1#CASRN
134134-87-5
http://www.opentox.org/api/1.1#EINECS
603-796-3
http://www.opentox.org/api/1.1#ChemicalName
AVENA SATIVA PROTEIN EXTRACT
Avena Sativa Protein Extract is an extract of the protein of the oat, Avena sativa, Poaceae
http://www.opentox.org/api/1.1#CASRN
121-54-0
http://www.opentox.org/api/1.1#EINECS
204-479-9
http://www.opentox.org/api/1.1#ChemicalName
BENZETHONIUM CHLORIDE
Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[4-(1,1,3,3,-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride
Benzethonium chloride
benzethonii chloridum
benzethonium chloride
http://www.opentox.org/api/1.1#IUPACName
N,N-Dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-benzenemethanaminium chloride
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)CC(C)(C)c2ccc(OCCOCC[N+](C)(C)Cc1ccccc1)cc2
[Cl-].CC(C)(C)CC(C)(C)c2ccc(OCCOCC[N+](C)(C)Cc1ccccc1)cc2
http://www.opentox.org/api/1.1#CASRN
9088-04-4
http://www.opentox.org/api/1.1#EINECS
618-674-5
http://www.opentox.org/api/1.1#ChemicalName
CARBOXYMETHYL HYDROXYETHYLCELLULOSE
Cellulose, carboxymethyl 2-hydroxyethyl ether, sodium salt
http://www.opentox.org/api/1.1#CASRN
6706-82-7
http://www.opentox.org/api/1.1#EINECS
229-754-0
http://www.opentox.org/api/1.1#ChemicalName
2,2'-[cyclohexylidenebis[(2-methyl-4,1-phenylene)azo]]bis[4-cyclohexylphenol]
CI 21230
http://www.opentox.org/api/1.1#CASRN
13421-53-9
http://www.opentox.org/api/1.1#EINECS
236-531-1
http://www.opentox.org/api/1.1#ChemicalName
CI 24790
Disodium 4,6-dihydroxy-3-[[4-[1-[4-[[1-hydroxy-7-[(phenylsulphonyl)oxy]-3-sulphonato-2-naphthyl]azo]phenyl] cyclohexyl]phenyl]azo]naphthalene-2-sulphonate
http://www.opentox.org/api/1.1#CASRN
79-75-4
http://www.opentox.org/api/1.1#EINECS
616-727-7
http://www.opentox.org/api/1.1#ChemicalName
.beta.,.TAU.-caroten-3-ol
CI 75135
http://www.opentox.org/api/1.1#CASRN
1345-16-0
http://www.opentox.org/api/1.1#EINECS
310-193-6
http://www.opentox.org/api/1.1#ChemicalName
CI 77346
CI pigment blue 28
http://www.opentox.org/api/1.1#CASRN
8000-29-1
89998-15-2
http://www.opentox.org/api/1.1#EINECS
289-753-6
http://www.opentox.org/api/1.1#ChemicalName
CYMBOPOGON NARDUS OIL
Cymbopogon Nardus Oil is the essential oil obtained by direct steam-distillation of the dried fresh grass citronella, Cymbopogon nardus, Gramineae
http://www.opentox.org/api/1.1#CASRN
68738-94-3
http://www.opentox.org/api/1.1#EINECS
272-119-8
http://www.opentox.org/api/1.1#ChemicalName
DIMETHYLOCTAHYDRO-2-NAPHTHALDEHYDE
Octahydro-8,8-dimethylnaphthalene-2-carbaldehyde
http://www.opentox.org/api/1.1#CASRN
1323-65-5
http://www.opentox.org/api/1.1#EINECS
215-356-4
http://www.opentox.org/api/1.1#ChemicalName
DINONYL PHENOL
Dinonylphenol
http://www.opentox.org/api/1.1#CASRN
126-00-1
http://www.opentox.org/api/1.1#EINECS
204-763-2
http://www.opentox.org/api/1.1#ChemicalName
4,4-bis(4-hydroxyphenyl)valeric acid
DIPHENOLIC ACID
Diphenolic acid
http://www.opentox.org/api/1.1#IUPACName
4,4-bis(4-hydroxyphenyl)pentanoic acid
http://www.opentox.org/api/1.1#SMILES
C(CCC(=O)O)(C1C=CC(=CC=1)O)(C2=CC=C(C=C2)O)C
CC(CCC(=O)O)(c1ccc(cc1)O)c2ccc(cc2)O
Oc1ccc(cc1)C(C)(CCC(=O)O)c2ccc(O)cc2
http://www.opentox.org/api/1.1#CASRN
27176-87-0
http://www.opentox.org/api/1.1#EINECS
248-289-4
http://www.opentox.org/api/1.1#ChemicalName
4-Dodecylbenzenesulfonic acid
DODECYLBENZENE SULFONIC ACID
Dodecylbenzenesulphonic acid
http://www.opentox.org/api/1.1#IUPACName
4-(1-ethyldecyl)benzenesulfonic acid
http://www.opentox.org/api/1.1#SMILES
O=S(C1=CC=C(C(CCCCCCCCC)CC)C=C1)(O)=O
OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC
http://www.opentox.org/api/1.1#CASRN
19014-05-2
http://www.opentox.org/api/1.1#EINECS
242-754-5
http://www.opentox.org/api/1.1#ChemicalName
4-dodecylbenzyltrimethylammonium chloride
DODECYLBENZYLTRIMONIUM CHLORIDE
http://www.opentox.org/api/1.1#CASRN
152-43-2
9046-09-7
http://www.opentox.org/api/1.1#EINECS
618-560-5
http://www.opentox.org/api/1.1#ChemicalName
17-alpha-Ethinylestradiol 3-cyclopentyl ether; 17alpha-Ethynylestradiol 3-cyclopentyl ether; Estradiol-17-beta 3-cyclopentyl ether; Quinestrolo [dcit]; Quinestrolum [inn-latin]
DODOXYNOL-13
Poly(oxy-1,2-ethanediyl), .alpha.-(tributylphenyl)-.omega.-hydroxy- (13 mol EO average molar ratio)
Quinestrol
http://www.opentox.org/api/1.1#IUPACName
(17beta)-3-(cyclopentyloxy)-17-ethynylestra-1,3,5(10)-trien-17-ol
(1S,10R,11S,14R,15S)-5-(cyclopentyloxy)-14-ethynyl-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-ol
http://www.opentox.org/api/1.1#SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OC3CCCC3)=C4)[C@@H]1CC[C@@]2(O)C#C
O[C@@](C#C)3[C@]2(C)[C@](CC3)([H])[C@]1([H])CCC4=C(C=CC(OC5CCCC5)=C4)[C@]([H])1CC2
http://www.opentox.org/api/1.1#CASRN
1222-05-5
http://www.opentox.org/api/1.1#EINECS
214-946-9
http://www.opentox.org/api/1.1#ChemicalName
1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylindeno[5,6-c]pyran
HEXAHYDROHEXAMETHYL CYCLOPENTABENZOPYRAN
galaxolide
http://www.opentox.org/api/1.1#SMILES
CC2(C)c1cc3COCC(C)c3cc1C(C)(C)C2C
http://www.opentox.org/api/1.1#CASRN
97722-03-7
http://www.opentox.org/api/1.1#EINECS
307-752-1
http://www.opentox.org/api/1.1#ChemicalName
HYDRANGEA MACROPHYLLA EXTRACT
Hydrangea Macrophylla Extract is an extract of the hydrangea, Hydrangea macrophylla, Saxifragaceae
http://www.opentox.org/api/1.1#CASRN
26264-05-1
http://www.opentox.org/api/1.1#EINECS
247-556-2
http://www.opentox.org/api/1.1#ChemicalName
Dodecylbenzenesulphonic acid, compound with isopropylamine (1:1)
ISOPROPYLAMINE DODECYLBENZENESULFONATE
http://www.opentox.org/api/1.1#CASRN
2062-78-4
53171-04-3
http://www.opentox.org/api/1.1#EINECS
610-973-9
http://www.opentox.org/api/1.1#ChemicalName
1-propanaminium, 2-hydroxy-N,N,N-trimethyl-3-[(1-oxo-dodecyl)oxy]-, chloride
LAUROYL PG-TRIMONIUM CHLORIDE
Pimozida [INN-Spanish]; Pimozidum [INN-Latin]
Pimozide
pimozide
http://www.opentox.org/api/1.1#IUPACName
1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
1-{1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
http://www.opentox.org/api/1.1#SMILES
C1=CC5=C(C=C1)N(C4CCN(CCCC(C2=CC=C(F)C=C2)C3=CC=C(F)C=C3)CC4)C(=O)N5
FC1=CC=C(C=C1)C(CCCN1CCC(CC1)N1C(=O)NC2=CC=CC=C12)C1=CC=C(F)C=C1
Fc1ccc(cc1)C(CCCN2CCC(CC2)N3c4ccccc4NC3=O)c5ccc(F)cc5
Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5
http://www.opentox.org/api/1.1#CASRN
8049-97-6
http://www.opentox.org/api/1.1#EINECS
232-473-6
http://www.opentox.org/api/1.1#ChemicalName
MELANIN
Melanins
http://www.opentox.org/api/1.1#CASRN
1235-74-1
http://www.opentox.org/api/1.1#EINECS
http://www.opentox.org/api/1.1#ChemicalName
1-phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester (1r-(1. alpha.,4a.beta.,10a.alpha.))-
METHYL DEHYDROABIETATE
http://www.opentox.org/api/1.1#CASRN
103-05-9
http://www.opentox.org/api/1.1#EINECS
203-074-4
http://www.opentox.org/api/1.1#ChemicalName
2-Methyl-4-phenyl-2-butanol
2-Methyl-4-phenylbutan-2-ol
4-phenyl-2-methyl-2-butanol
METHYL PHENYLBUTANOL
http://www.opentox.org/api/1.1#IUPACName
2-methyl-4-phenylbutan-2-ol
http://www.opentox.org/api/1.1#SMILES
C1=CC=CC=C1CCC(C)(C)O
CC(C)(O)CCc1ccccc1
http://www.opentox.org/api/1.1#CASRN
25155-18-4
http://www.opentox.org/api/1.1#EINECS
246-675-7
http://www.opentox.org/api/1.1#ChemicalName
METHYLBENZETHONIUM CHLORIDE
Methylbenzethonium chloride
methylbenzethonium chloride
http://www.opentox.org/api/1.1#IUPACName
N-benzyl-N,N-dimethyl-2-{2-[3-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium chloride
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)CC(C)(C)c2ccc(OCCOCC[N+](C)(C)Cc1ccccc1)cc2C
C[N+](CCOCCOC1=CC=C(C(C)(C)CC(C)(C)C)C(C)=C1)(C)CC2=CC=CC=C2
C[N+](CCOCCOC1=CC=C(C(C)(C)CC(C)(C)C)C(C)=C1)(C)CC2=CC=CC=C2.[Cl-]
[Cl-].CC(C)(C)CC(C)(C)c2ccc(OCCOCC[N+](C)(C)Cc1ccccc1)cc2C
http://www.opentox.org/api/1.1#CASRN
54590-52-2
http://www.opentox.org/api/1.1#EINECS
259-249-0
http://www.opentox.org/api/1.1#ChemicalName
MIPA-DODECYLBENZENESULFONATE
P-dodecylbenzenesulphonic acid, compound with 1-aminopropan-2-ol (1:1)
http://www.opentox.org/api/1.1#CASRN
27986-36-3
http://www.opentox.org/api/1.1#EINECS
248-762-5
http://www.opentox.org/api/1.1#ChemicalName
2-(nonylphenoxy)ethanol
NONOXYNOL-1
http://www.opentox.org/api/1.1#CASRN
27177-08-8
http://www.opentox.org/api/1.1#EINECS
248-294-1
http://www.opentox.org/api/1.1#ChemicalName
29-(nonylphenoxy)-3,6,9,12,15,18,21,24,27-nonaoxanonacosanol
NONOXYNOL-10
http://www.opentox.org/api/1.1#CASRN
26027-38-3
9016-45-9
http://www.opentox.org/api/1.1#EINECS
500-024-6
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-100
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-
Polyoxyethylene(10)nonylphenyl ether
http://www.opentox.org/api/1.1#IUPACName
2-[2-(4-nonylphenoxy)ethoxy]ethanol
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCCc1ccc(OCCOCCO)cc1
OCCOCCOC1=CC=C(CCCCCCCCC)C=C1
http://www.opentox.org/api/1.1#CASRN
9016-45-9
http://www.opentox.org/api/1.1#EINECS
500-024-6
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-11
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9016-45-9
http://www.opentox.org/api/1.1#EINECS
500-024-6
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-12
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
11096-42-7
http://www.opentox.org/api/1.1#EINECS
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-12 IODINE
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-, compd. with iodine
http://www.opentox.org/api/1.1#CASRN
9016-45-9
http://www.opentox.org/api/1.1#EINECS
500-024-6
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-120
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9016-45-9
http://www.opentox.org/api/1.1#EINECS
500-024-6
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-13
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9016-45-9
http://www.opentox.org/api/1.1#EINECS
500-024-6
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-14
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9016-45-9
http://www.opentox.org/api/1.1#EINECS
500-024-6
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-15
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9016-45-9
http://www.opentox.org/api/1.1#EINECS
500-024-6
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-18
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
27176-93-8
http://www.opentox.org/api/1.1#EINECS
248-291-5
http://www.opentox.org/api/1.1#ChemicalName
2-[2-(nonylphenoxy)ethoxy]ethanol
NONOXYNOL-2
http://www.opentox.org/api/1.1#CASRN
9016-45-9
http://www.opentox.org/api/1.1#EINECS
500-024-6
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-20
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9016-45-9
http://www.opentox.org/api/1.1#EINECS
500-024-6
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-23
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9016-45-9
http://www.opentox.org/api/1.1#EINECS
500-024-6
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-25
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9016-45-9
http://www.opentox.org/api/1.1#EINECS
500-024-6
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-3
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9016-45-9
http://www.opentox.org/api/1.1#EINECS
500-024-6
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-30
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9016-45-9
http://www.opentox.org/api/1.1#EINECS
500-024-6
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-35
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
7311-27-5
http://www.opentox.org/api/1.1#EINECS
230-770-5
http://www.opentox.org/api/1.1#ChemicalName
2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethanol
NONOXYNOL-4
http://www.opentox.org/api/1.1#CASRN
9016-45-9
http://www.opentox.org/api/1.1#EINECS
500-024-6
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-40
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9016-45-9
http://www.opentox.org/api/1.1#EINECS
500-024-6
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-44
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
26264-02-8
http://www.opentox.org/api/1.1#EINECS
247-555-7
http://www.opentox.org/api/1.1#ChemicalName
14-(nonylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol
NONOXYNOL-5
http://www.opentox.org/api/1.1#CASRN
9016-45-9
http://www.opentox.org/api/1.1#EINECS
500-024-6
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-50
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9016-45-9
http://www.opentox.org/api/1.1#EINECS
500-024-6
http://www.opentox.org/api/1.1#ChemicalName
NONOXYNOL-6
Poly(oxy-1,2-ethanediyl), .alpha.-(nonylphenyl)-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
29994-44-3
http://www.opentox.org/api/1.1#EINECS
249-992-9
http://www.opentox.org/api/1.1#ChemicalName
17-(nonylphenoxy)-3,6,9,12,15-pentaoxaheptadecan-1-yl dihydrogen phosphate
NONOXYNOL-6 PHOSPHATE
http://www.opentox.org/api/1.1#CASRN
27177-03-3
http://www.opentox.org/api/1.1#EINECS
248-292-0
http://www.opentox.org/api/1.1#ChemicalName
20-(nonylphenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol
NONOXYNOL-7
http://www.opentox.org/api/1.1#CASRN
27177-05-5
http://www.opentox.org/api/1.1#EINECS
248-293-6
http://www.opentox.org/api/1.1#ChemicalName
23-(nonylphenoxy)-3,6,9,12,15,18,21-heptaoxatricosan-1-ol
NONOXYNOL-8
http://www.opentox.org/api/1.1#CASRN
26571-11-9
http://www.opentox.org/api/1.1#EINECS
247-816-5
http://www.opentox.org/api/1.1#ChemicalName
26-(nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol
N-9
NONOXYNOL-9
Nonoxynol-9
http://www.opentox.org/api/1.1#IUPACName
1-(4-nonylphenyl)-1,4,7,10,13,16,19,22,25-nonaoxaheptacosan-27-ol
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCCC1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1
http://www.opentox.org/api/1.1#CASRN
94349-40-3
http://www.opentox.org/api/1.1#EINECS
305-157-1
http://www.opentox.org/api/1.1#ChemicalName
26-(p-nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol, compound with iodine
NONOXYNOL-9 IODINE
http://www.opentox.org/api/1.1#CASRN
66197-78-2
http://www.opentox.org/api/1.1#EINECS
266-231-6
http://www.opentox.org/api/1.1#ChemicalName
26-(nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl dihydrogen phosphate
NONOXYNOL-9 PHOSPHATE
http://www.opentox.org/api/1.1#CASRN
66172-78-9
http://www.opentox.org/api/1.1#EINECS
266-215-9
http://www.opentox.org/api/1.1#ChemicalName
20-(dinonylphenoxy)-3,6,9,12,15,18-hexaoxaicosyl dihydrogen phosphate
NONYL NONOXYNOL-7 PHOSPHATE
http://www.opentox.org/api/1.1#CASRN
66172-82-5
http://www.opentox.org/api/1.1#EINECS
266-218-5
http://www.opentox.org/api/1.1#ChemicalName
26-(nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl hydrogen phosphate
NONYL NONOXYNOL-9 PHOSPHATE
http://www.opentox.org/api/1.1#CASRN
27686-84-6
500-38-9
http://www.opentox.org/api/1.1#EINECS
207-903-0
http://www.opentox.org/api/1.1#ChemicalName
4,4'-(2,3-dimethyltetramethylene)dipyrocatechol
Dihydronorguaiaretic acid; Masoprocolum [INN-Latin]; meso-NDGA; meso-Nordihydroguaiaretic acid; NDGA; Nordihydroguaiaretic acid; Nordihydroguairaretic acid
Masoprocol
NORDIHYDROGUAIARETIC ACID
Nordihydroguaiaretic acid
http://www.opentox.org/api/1.1#IUPACName
4,4'-(2,3-dimethylbutane-1,4-diyl)dibenzene-1,2-diol
4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
4-[(2S,3R)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylbutyl]benzene-1,2-diol
http://www.opentox.org/api/1.1#SMILES
C[C@@H](CC1=CC(O)=C(O)C=C1)[C@H](C)CC1=CC(O)=C(O)C=C1
OC1=C(O)C=CC(CC(C)C(C)CC2=CC=C(O)C(O)=C2)=C1
OC1=C(O)C=CC(C[C@@H](C)[C@@H](C)CC2=CC=C(O)C(O)=C2)=C1
Oc2ccc(CC(C)C(C)Cc1ccc(O)c(O)c1)cc2O
http://www.opentox.org/api/1.1#CASRN
2315-67-5
9002-93-1
http://www.opentox.org/api/1.1#EINECS
618-344-0
http://www.opentox.org/api/1.1#ChemicalName
Ethanol, 2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-
OCTOXYNOL-1
Triton X-100
octoxynol 9 [usan]
http://www.opentox.org/api/1.1#IUPACName
2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethanol
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1
OCCOC1=CC=C(C(CC(C)(C)C)(C)C)C=C1
http://www.opentox.org/api/1.1#CASRN
9002-93-1
http://www.opentox.org/api/1.1#EINECS
618-344-0
http://www.opentox.org/api/1.1#ChemicalName
OCTOXYNOL-10
Poly(oxy-1,2-ethanediyl), .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9002-93-1
http://www.opentox.org/api/1.1#EINECS
618-344-0
http://www.opentox.org/api/1.1#ChemicalName
OCTOXYNOL-11
Poly(oxy-1,2-ethanediyl), .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9002-93-1
http://www.opentox.org/api/1.1#EINECS
618-344-0
http://www.opentox.org/api/1.1#ChemicalName
OCTOXYNOL-12
Poly(oxy-1,2-ethanediyl), .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9002-93-1
http://www.opentox.org/api/1.1#EINECS
618-344-0
http://www.opentox.org/api/1.1#ChemicalName
OCTOXYNOL-13
Poly(oxy-1,2-ethanediyl), .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9002-93-1
http://www.opentox.org/api/1.1#EINECS
618-344-0
http://www.opentox.org/api/1.1#ChemicalName
OCTOXYNOL-16
Poly(oxy-1,2-ethanediyl), .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9002-93-1
http://www.opentox.org/api/1.1#EINECS
618-344-0
http://www.opentox.org/api/1.1#ChemicalName
OCTOXYNOL-20
Poly(oxy-1,2-ethanediyl), .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9002-93-1
http://www.opentox.org/api/1.1#EINECS
618-344-0
http://www.opentox.org/api/1.1#ChemicalName
OCTOXYNOL-25
Poly(oxy-1,2-ethanediyl), .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9002-93-1
http://www.opentox.org/api/1.1#EINECS
618-344-0
http://www.opentox.org/api/1.1#ChemicalName
OCTOXYNOL-3
Poly(oxy-1,2-ethanediyl), .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9002-93-1
http://www.opentox.org/api/1.1#EINECS
618-344-0
http://www.opentox.org/api/1.1#ChemicalName
OCTOXYNOL-30
Poly(oxy-1,2-ethanediyl), .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9002-93-1
http://www.opentox.org/api/1.1#EINECS
618-344-0
http://www.opentox.org/api/1.1#ChemicalName
OCTOXYNOL-33
Poly(oxy-1,2-ethanediyl), .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9002-93-1
http://www.opentox.org/api/1.1#EINECS
618-344-0
http://www.opentox.org/api/1.1#ChemicalName
OCTOXYNOL-40
Poly(oxy-1,2-ethanediyl), .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9002-93-1
http://www.opentox.org/api/1.1#EINECS
618-344-0
http://www.opentox.org/api/1.1#ChemicalName
OCTOXYNOL-5
Poly(oxy-1,2-ethanediyl), .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9002-93-1
http://www.opentox.org/api/1.1#EINECS
618-344-0
http://www.opentox.org/api/1.1#ChemicalName
OCTOXYNOL-7
Poly(oxy-1,2-ethanediyl), .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9002-93-1
http://www.opentox.org/api/1.1#EINECS
618-344-0
http://www.opentox.org/api/1.1#ChemicalName
OCTOXYNOL-70
Poly(oxy-1,2-ethanediyl), .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
9002-93-1
http://www.opentox.org/api/1.1#EINECS
618-344-0
http://www.opentox.org/api/1.1#ChemicalName
OCTOXYNOL-8
Poly(oxy-1,2-ethanediyl), .alpha.-[4-(1,1,3,3-tetramethylbutyl)phenyl]-.omega.-hydroxy-
http://www.opentox.org/api/1.1#CASRN
42173-90-0
http://www.opentox.org/api/1.1#EINECS
255-695-5
http://www.opentox.org/api/1.1#ChemicalName
26-(nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol
OCTOXYNOL-9
http://www.opentox.org/api/1.1#CASRN
25338-58-3
http://www.opentox.org/api/1.1#EINECS
246-867-0
http://www.opentox.org/api/1.1#ChemicalName
OCTOXYNOL-9 CARBOXYLIC ACID
http://www.opentox.org/api/1.1#CASRN
3147-75-9
http://www.opentox.org/api/1.1#EINECS
221-573-5
http://www.opentox.org/api/1.1#ChemicalName
2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
OCTRIZOLE
Octrizole
octrizole
http://www.opentox.org/api/1.1#IUPACName
2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)CC(C)(C)c1cc(c(O)cc1)n2nc3ccccc3n2
OC1=C(N2N=C(C=CC=C3)C3=N2)C=C(C(C)(C)CC(C)(C)C)C=C1
http://www.opentox.org/api/1.1#CASRN
8015-01-8
http://www.opentox.org/api/1.1#EINECS
616-955-7
http://www.opentox.org/api/1.1#ChemicalName
ORIGANUM MAJORANA OIL
Origanum Majorana Oil is the volatile oil distilled from the leaves of the sweet marjoram, Origanum majorana, Labiatae
http://www.opentox.org/api/1.1#CASRN
61791-00-2
http://www.opentox.org/api/1.1#EINECS
500-150-1
http://www.opentox.org/api/1.1#ChemicalName
Fatty acids, tall-oil, ethoxylated
PEG-10 TALLATE
http://www.opentox.org/api/1.1#CASRN
61791-00-2
http://www.opentox.org/api/1.1#EINECS
500-150-1
http://www.opentox.org/api/1.1#ChemicalName
Fatty acids, tall-oil, ethoxylated
PEG-12 TALLATE
http://www.opentox.org/api/1.1#CASRN
61791-00-2
http://www.opentox.org/api/1.1#EINECS
500-150-1
http://www.opentox.org/api/1.1#ChemicalName
PEG-14 TALLATE
http://www.opentox.org/api/1.1#CASRN
61791-00-2
http://www.opentox.org/api/1.1#EINECS
500-150-1
http://www.opentox.org/api/1.1#ChemicalName
Fatty acids, tall-oil, ethoxylated
PEG-15 TALLATE
http://www.opentox.org/api/1.1#CASRN
61791-00-2
http://www.opentox.org/api/1.1#EINECS
500-150-1
http://www.opentox.org/api/1.1#ChemicalName
Fatty acids, tall-oil, ethoxylated
PEG-16 TALLATE
http://www.opentox.org/api/1.1#CASRN
61791-00-2
http://www.opentox.org/api/1.1#EINECS
500-150-1
http://www.opentox.org/api/1.1#ChemicalName
Fatty acids, tall-oil, ethoxylated
PEG-20 TALLATE
http://www.opentox.org/api/1.1#CASRN
61791-00-2
http://www.opentox.org/api/1.1#EINECS
500-150-1
http://www.opentox.org/api/1.1#ChemicalName
Fatty acids, tall-oil, ethoxylated
PEG-4 TALLATE
http://www.opentox.org/api/1.1#CASRN
61791-00-2
http://www.opentox.org/api/1.1#EINECS
500-150-1
http://www.opentox.org/api/1.1#ChemicalName
Fatty acids, tall-oil, ethoxylated
PEG-5 TALLATE
http://www.opentox.org/api/1.1#CASRN
61791-00-2
http://www.opentox.org/api/1.1#EINECS
500-150-1
http://www.opentox.org/api/1.1#ChemicalName
Fatty acids, tall-oil, ethoxylated
PEG-8 TALLATE
http://www.opentox.org/api/1.1#CASRN
116265-66-8
http://www.opentox.org/api/1.1#EINECS
http://www.opentox.org/api/1.1#ChemicalName
2-[Difluoro(undecafluorocyclohexyl)methyl]-1,1,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-heptadecafluorodecahydronaphtalene
PERFLUOROPERHYDROBENZYL TETRALIN
http://www.opentox.org/api/1.1#CASRN
2342-07-6
http://www.opentox.org/api/1.1#EINECS
http://www.opentox.org/api/1.1#ChemicalName
Naphthalene, 1,1,2,2,3,3,4,4,5,6,7,8-dodecafluoro-1,2,3,4-tetrahydro-
PERFLUOROTETRALIN
http://www.opentox.org/api/1.1#CASRN
55066-48-3
http://www.opentox.org/api/1.1#EINECS
259-461-3
http://www.opentox.org/api/1.1#ChemicalName
3-Methyl-5-phenylpentan-1-ol
3-methyl-5-phenylpentanol
PHENYLISOHEXANOL
http://www.opentox.org/api/1.1#IUPACName
3-methyl-5-phenylpentan-1-ol
http://www.opentox.org/api/1.1#SMILES
OCCC(C)CCC1=CC=CC=C1
http://www.opentox.org/api/1.1#CASRN
55066-49-4
http://www.opentox.org/api/1.1#EINECS
611-227-5
http://www.opentox.org/api/1.1#ChemicalName
PHENYLMETHYLPENTANAL
Pentanal, 3-methyl-5-phenyl-
http://www.opentox.org/api/1.1#CASRN
84-80-0
http://www.opentox.org/api/1.1#EINECS
201-564-2
http://www.opentox.org/api/1.1#ChemicalName
1,4-Naphthalenedione, 2-methyl[3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*, R*-(E)]]-
PHYTONADIONE
Phytonadione
phytomenadione
http://www.opentox.org/api/1.1#IUPACName
2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione
http://www.opentox.org/api/1.1#SMILES
C/1(=C(/C(=O)c2c(C\1=O)cccc2)C)C/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C
http://www.opentox.org/api/1.1#CASRN
25155-30-0
http://www.opentox.org/api/1.1#EINECS
246-680-4
http://www.opentox.org/api/1.1#ChemicalName
SODIUM DODECYLBENZENESULFONATE
Sodium dodecylbenzenesulfonate
Sodium dodecylbenzenesulphonate
http://www.opentox.org/api/1.1#IUPACName
sodium 4-(1-ethyldecyl)benzenesulfonate
http://www.opentox.org/api/1.1#SMILES
O=S(C1=CC=C(C(CCCCCCCCC)CC)C=C1)(O)=O
O=S(C1=CC=C(C(CCCCCCCCC)CC)C=C1)([O-])=O.[Na+]
OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC
[Na+].O=S([O-])(=O)c1ccc(cc1)C(CC)CCCCCCCCC
http://www.opentox.org/api/1.1#CASRN
9014-90-8
http://www.opentox.org/api/1.1#EINECS
618-487-9
http://www.opentox.org/api/1.1#ChemicalName
Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-(nonylphenoxy)-, sodium salt
SODIUM NONOXYNOL-10 SULFATE
http://www.opentox.org/api/1.1#CASRN
9014-90-8
http://www.opentox.org/api/1.1#EINECS
618-487-9
http://www.opentox.org/api/1.1#ChemicalName
Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-(nonylphenoxy)-, sodium salt
SODIUM NONOXYNOL-25 SULFATE
http://www.opentox.org/api/1.1#CASRN
9014-90-8
http://www.opentox.org/api/1.1#EINECS
618-487-9
http://www.opentox.org/api/1.1#ChemicalName
Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-(nonylphenoxy)-, sodium salt
SODIUM NONOXYNOL-3 SULFATE
http://www.opentox.org/api/1.1#CASRN
9014-90-8
http://www.opentox.org/api/1.1#EINECS
618-487-9
http://www.opentox.org/api/1.1#ChemicalName
Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-(nonylphenoxy)-, sodium salt
SODIUM NONOXYNOL-4 SULFATE
http://www.opentox.org/api/1.1#CASRN
12068-19-8
http://www.opentox.org/api/1.1#EINECS
235-093-9
http://www.opentox.org/api/1.1#ChemicalName
Disodium 17-(nonylphenoxy)-3,6,9,12,15-pentaoxaheptadecan-1-yl phosphate
SODIUM NONOXYNOL-6 PHOSPHATE
http://www.opentox.org/api/1.1#CASRN
9014-90-8
http://www.opentox.org/api/1.1#EINECS
618-487-9
http://www.opentox.org/api/1.1#ChemicalName
Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-(nonylphenoxy)-, sodium salt
SODIUM NONOXYNOL-6 SULFATE
http://www.opentox.org/api/1.1#CASRN
9014-90-8
http://www.opentox.org/api/1.1#EINECS
618-487-9
http://www.opentox.org/api/1.1#ChemicalName
Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-(nonylphenoxy)-, sodium salt
SODIUM NONOXYNOL-8 SULFATE
http://www.opentox.org/api/1.1#CASRN
2917-94-4
http://www.opentox.org/api/1.1#EINECS
220-851-3
http://www.opentox.org/api/1.1#ChemicalName
SODIUM OCTOXYNOL-2 ETHANE SULFONATE
Sodium 2-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethoxy]ethanesulphonate
entsufon
http://www.opentox.org/api/1.1#CASRN
12627-38-2
http://www.opentox.org/api/1.1#EINECS
http://www.opentox.org/api/1.1#ChemicalName
Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-, sodium salt
SODIUM OCTOXYNOL-2 SULFATE
http://www.opentox.org/api/1.1#CASRN
12627-38-2
http://www.opentox.org/api/1.1#EINECS
http://www.opentox.org/api/1.1#ChemicalName
SODIUM OCTOXYNOL-6 SULFATE
http://www.opentox.org/api/1.1#CASRN
12627-38-2
http://www.opentox.org/api/1.1#EINECS
http://www.opentox.org/api/1.1#ChemicalName
SODIUM OCTOXYNOL-9 SULFATE
http://www.opentox.org/api/1.1#CASRN
26248-24-8
http://www.opentox.org/api/1.1#EINECS
247-536-3
http://www.opentox.org/api/1.1#ChemicalName
SODIUM TRIDECYLBENZENESULFONATE
Sodium tridecylbenzenesulphonate
http://www.opentox.org/api/1.1#CASRN
39012-86-7
http://www.opentox.org/api/1.1#EINECS
254-248-1
http://www.opentox.org/api/1.1#ChemicalName
2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3 (2H,9bH)-dione, sodium salt
SODIUM USNATE
http://www.opentox.org/api/1.1#CASRN
6706-82-7
http://www.opentox.org/api/1.1#EINECS
229-754-0
http://www.opentox.org/api/1.1#ChemicalName
2,2'-[cyclohexylidenebis[(2-methyl-4,1-phenylene)azo]]bis[4-cyclohexylphenol] (CI 21230)
SOLVENT YELLOW 29
http://www.opentox.org/api/1.1#CASRN
97722-02-6
http://www.opentox.org/api/1.1#EINECS
307-751-6
http://www.opentox.org/api/1.1#ChemicalName
Glycerides, tall-oil mono-, di-, and tri-
TALL OIL GLYCERIDES
http://www.opentox.org/api/1.1#CASRN
27323-41-7
http://www.opentox.org/api/1.1#EINECS
248-406-9
http://www.opentox.org/api/1.1#ChemicalName
Dodecylbenzene sulfonate triethanolamine (1:1)
Dodecylbenzenesulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
TEA-DODECYLBENZENESULFONATE
http://www.opentox.org/api/1.1#IUPACName
4-(1-ethyldecyl)benzenesulfonic acid - 2,2',2''-nitrilotriethanol (1:1)
http://www.opentox.org/api/1.1#SMILES
O=S(C1=CC=C(C(CCCCCCCCC)CC)C=C1)(O)=O
O=S(C1=CC=C(C(CCCCCCCCC)CC)C=C1)(O)=O.OCCN(CCO)CCO
OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC
OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC.OCCN(CCO)CCO
http://www.opentox.org/api/1.1#CASRN
61886-59-7
http://www.opentox.org/api/1.1#EINECS
263-296-2
http://www.opentox.org/api/1.1#ChemicalName
TEA-TRIDECYLBENZENESULFONATE
Tridecylbenzenesulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
http://www.opentox.org/api/1.1#CASRN
36062-04-1
http://www.opentox.org/api/1.1#EINECS
609-201-3
http://www.opentox.org/api/1.1#ChemicalName
3,5-Heptanedione, 1,7-bis(4-hydroxy-3-methoxyphenyl)
TETRAHYDRODIFERULOYLMETHANE
http://www.opentox.org/api/1.1#CASRN
10191-41-0
59-02-9
http://www.opentox.org/api/1.1#EINECS
233-466-0
http://www.opentox.org/api/1.1#ChemicalName
3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
TOCOPHEROL
Tocopherol, alpha-
Vitamin E
alpha-Tocopherol; Tocopherol
dl-alpha-Tocopherol
http://www.opentox.org/api/1.1#IUPACName
(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol
(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol
2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol
http://www.opentox.org/api/1.1#SMILES
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1
CC1=C(C(=C(C2=C1OC(CCCC(CCCC(CCCC(C)C)C)C)(C)CC2)C)O)C
CC1=C(C)C2=C(CC[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2)C(C)=C1O
OC2=C(C)C1=C(C(C)=C2C)O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC1
http://www.opentox.org/api/1.1#CASRN
30999-06-5
http://www.opentox.org/api/1.1#EINECS
http://www.opentox.org/api/1.1#ChemicalName
Butanedioic acid, mono[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecy)-2H-1-benzopyran-6-yl] ester, polymer with oxirane (1:22)
TOCOPHERSOLAN
tocofersolan
http://www.opentox.org/api/1.1#CASRN
36148-84-2
http://www.opentox.org/api/1.1#EINECS
609-214-4
http://www.opentox.org/api/1.1#ChemicalName
9,12-octadecadienoic acid (Z,Z)-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
TOCOPHERYL LINOLEATE
http://www.opentox.org/api/1.1#CASRN
43119-47-7
http://www.opentox.org/api/1.1#EINECS
256-101-7
http://www.opentox.org/api/1.1#ChemicalName
DL-alpha Tocopheryl nicotinate
TOCOPHERYL NICOTINATE
[2R-[2R*(4R*,8R*)]]-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl nicotinate/[2R*(4R*,8R*)]-(.+-.)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl nicotinate
http://www.opentox.org/api/1.1#IUPACName
(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl pyridine-3-carboxylate
http://www.opentox.org/api/1.1#SMILES
O=C(OC2=C(C)C3=C(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC3)C(C)=C2C)C1=CN=CC=C1
http://www.opentox.org/api/1.1#CASRN
4345-03-3
http://www.opentox.org/api/1.1#EINECS
224-403-8
http://www.opentox.org/api/1.1#ChemicalName
.alpha.-tocopheryl hydrogen succinate
D-alpha-Tocopheryl succinate
TOCOPHERYL SUCCINATE
http://www.opentox.org/api/1.1#IUPACName
mono((2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl) butanedioate
http://www.opentox.org/api/1.1#SMILES
C12=C(C(=C(C(=C1C)C)[O]C(=O)CCC(=O)O)C)CC[C@]([O]2)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C
http://www.opentox.org/api/1.1#CASRN
1843-03-4
http://www.opentox.org/api/1.1#EINECS
217-420-7
http://www.opentox.org/api/1.1#ChemicalName
4,4',4''-(1-methylpropanyl-3-ylidene)tris[6-tert-butyl-m-cresol]
TRIBUTYLCRESYLBUTANE
topanol ca
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)c1cc(c(C)cc1O)C(C)CC(c2cc(c(O)cc2C)C(C)(C)C)c3cc(c(O)cc3C)C(C)(C)C
http://www.opentox.org/api/1.1#CASRN
25496-01-9
http://www.opentox.org/api/1.1#EINECS
247-036-5
http://www.opentox.org/api/1.1#ChemicalName
TRIDECYLBENZENESULFONIC ACID
Tridecylbenzenesulphonic acid
http://www.opentox.org/api/1.1#CASRN
26523-78-4
http://www.opentox.org/api/1.1#EINECS
247-759-6
http://www.opentox.org/api/1.1#ChemicalName
TRIS(NONYLPHENYL) PHOSPHITE
Tris(nonylphenyl) phosphite
http://www.opentox.org/api/1.1#CASRN
1345-00-2
http://www.opentox.org/api/1.1#EINECS
215-711-3
http://www.opentox.org/api/1.1#ChemicalName
Aluminum sodium thiosilicate green. This substance is identified in the Colour Index by Colour Index Constitution Number, C.I. 77013/Sodium aluminosilicate violet. This substance is identified in the Colour Index by Colour Index Constitution Number, (CI 77007)
ULTRAMARINES
http://www.opentox.org/api/1.1#CASRN
125-46-2
http://www.opentox.org/api/1.1#EINECS
204-740-7
http://www.opentox.org/api/1.1#ChemicalName
2,6-diacetyl-1,2,3,9b-tetrahydro-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione
USNIC ACID
usnic acid
http://www.opentox.org/api/1.1#SMILES
CC(=O)c2c1OC3=CC(=O)C(C(=O)C3(C)c1c(O)c(C)c2O)C(C)=O
http://www.opentox.org/api/1.1#CASRN
29611-03-8
http://www.opentox.org/api/1.1#ChemicalName
Aflatoxicol
http://www.opentox.org/api/1.1#IUPACName
(1R,6aS,9aS)-1-hydroxy-4-(methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-11(1H)-one
http://www.opentox.org/api/1.1#SMILES
O=C(O2)C([C@@H](CC3)O)=C3C1=C2C4=C(O[C@@]5([H])[C@]([H])4C=CO5)C=C1OC
http://www.opentox.org/api/1.1#CASRN
1162-65-8
http://www.opentox.org/api/1.1#ChemicalName
(6ar,9as)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
Aflatoxin B1
aflatoxin b1
http://www.opentox.org/api/1.1#IUPACName
4-(methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
http://www.opentox.org/api/1.1#SMILES
C12=C3C(C4=C(C(O3)=O)C(=O)CC4)=C(C=C1OC5C2C=CO5)OC
COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@H]5C=CO[C@@H]5O2
O=C2Oc1c4C5C=COC5Oc4cc(OC)c1C=3CCC(=O)C2=3
O=C2Oc1c4c(cc(OC)c1C=3CCC(=O)C2=3)O[C@H]5OC=C[C@@H]45
http://www.opentox.org/api/1.1#CASRN
42615-29-2
http://www.opentox.org/api/1.1#ChemicalName
Alkylbenzenesulfonate, linear
http://www.opentox.org/api/1.1#IUPACName
sodium 4-(dodecan-2-yl)benzenesulfonate
http://www.opentox.org/api/1.1#SMILES
O=S(C1=CC=C(C(C)CCCCCCCCCC)C=C1)(O)=O
O=S(C1=CC=C(C(C)CCCCCCCCCC)C=C1)([O-])=O.[Na+]
http://www.opentox.org/api/1.1#CASRN
305-03-3
http://www.opentox.org/api/1.1#ChemicalName
4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid
Chlocambucil; Chloraminophen; Chloraminophene; Chlorbutin; Chlorbutine; Chloroambucil; Chlorobutin; Chlorobutine; Phenylbutyric Acid Nitrogen Mustard
Chlorambucil
http://www.opentox.org/api/1.1#IUPACName
4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid
http://www.opentox.org/api/1.1#SMILES
ClCCN(C1=CC=C(C=C1)CCCC(=O)O)CCCl
O=C(O)CCCc1ccc(cc1)N(CCCl)CCCl
OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl
http://www.opentox.org/api/1.1#CASRN
76-57-3
http://www.opentox.org/api/1.1#ChemicalName
Codeine
Codeine anhydrous; L-Codeine; Methylmorphine; Morphine monomethyl ether; Norcodeine, N-Methyl; Norcodine, N-Methyl
http://www.opentox.org/api/1.1#IUPACName
(1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraen-14-ol
(5alpha,6alpha)-17-methyl-3-(methyloxy)-7,8-didehydro-4,5-epoxymorphinan-6-ol
http://www.opentox.org/api/1.1#SMILES
COC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5C
O[C@@H]1C2[C@@]34C5=C(C=CC(=C5O2)OC)CC(C3C=C1)N(C)CC4
[H][C@@]12CC3=C4C(O[C@H]5[C@@H](O)C=C[C@]1([H])[C@@]45CCN2C)=C(OC)C=C3
http://www.opentox.org/api/1.1#CASRN
477-30-5
http://www.opentox.org/api/1.1#ChemicalName
Colcemid
http://www.opentox.org/api/1.1#IUPACName
(7S)-7-(methylamino)-1,2,3,10-tetrakis(methyloxy)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
http://www.opentox.org/api/1.1#SMILES
COC1=C(C(=CC2=C1C3=CC=C(OC)C(=O)C=C3[C@@H](NC)CC2)OC)OC
http://www.opentox.org/api/1.1#CASRN
NOCAS
http://www.opentox.org/api/1.1#ChemicalName
(+-)-4-diethylamino-1,1-dimethylbut-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate.HCl monohydrate
http://www.opentox.org/api/1.1#IUPACName
4-(diethylamino)-1,1-dimethylbut-2-yn-1-yl cyclohexyl(hydroxy)phenylacetate hydrochloride hydrate
http://www.opentox.org/api/1.1#SMILES
O=C(C(O)(C2=CC=CC=C2)C1CCCCC1)OC(C)(C)C#CCN(CC)CC
O=C(C(O)(C2=CC=CC=C2)C1CCCCC1)OC(C)(C)C#CCN(CC)CC.O.Cl
http://www.opentox.org/api/1.1#CASRN
75659-08-4
http://www.opentox.org/api/1.1#ChemicalName
(R,R)-Dilevalol.HCl
http://www.opentox.org/api/1.1#IUPACName
2-hydroxy-5-[(1R)-1-hydroxy-2-{[(1R)-1-methyl-3-phenylpropyl]amino}ethyl]benzamide hydrochloride
http://www.opentox.org/api/1.1#SMILES
C1(=C(C=CC(=C1)[C@H](CN[C@@H](CCC2=CC=CC=C2)C)O)O)C(N)=O
C1(=C(C=CC(=C1)[C@H](CN[C@@H](CCC2=CC=CC=C2)C)O)O)C(N)=O.[H]Cl
http://www.opentox.org/api/1.1#CASRN
1146-71-0
http://www.opentox.org/api/1.1#ChemicalName
5,7-Dimethoxycyclopentene[c]coumarin
http://www.opentox.org/api/1.1#IUPACName
7,9-bis(methyloxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
http://www.opentox.org/api/1.1#SMILES
O1C(=O)/C2=C(\C3=C1C=C(C=C3OC)OC)CCC2
http://www.opentox.org/api/1.1#CASRN
1150-37-4
http://www.opentox.org/api/1.1#ChemicalName
5,7-Dimethoxycyclopentenone[2,3-c]coumarin
http://www.opentox.org/api/1.1#IUPACName
7,9-bis(methyloxy)-2,3-dihydrocyclopenta[c]chromene-1,4-dione
http://www.opentox.org/api/1.1#SMILES
C12=CC(=CC(=C1C3=C(C(O2)=O)CCC3=O)OC)OC
http://www.opentox.org/api/1.1#CASRN
1150-42-1
http://www.opentox.org/api/1.1#ChemicalName
5,7-Dimethoxycyclopentenone[3,2-c] coumarin
http://www.opentox.org/api/1.1#IUPACName
7,9-bis(methyloxy)-1,2-dihydrocyclopenta[c]chromene-3,4-dione
http://www.opentox.org/api/1.1#SMILES
C12=CC(=CC(=C1C3=C(C(O2)=O)C(CC3)=O)OC)OC
http://www.opentox.org/api/1.1#CASRN
43033-72-3
http://www.opentox.org/api/1.1#ChemicalName
6-Dimethylamino-4,4-diphenyl-3-heptanolacetate.HCl
http://www.opentox.org/api/1.1#IUPACName
(1S,4S)-4-(dimethylamino)-1-ethyl-2,2-diphenylpentyl acetate hydrochloride
http://www.opentox.org/api/1.1#SMILES
CC(=O)O[C@@H](CC)C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2
Cl.CC(=O)O[C@@H](CC)C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2
http://www.opentox.org/api/1.1#CASRN
1095-90-5
http://www.opentox.org/api/1.1#ChemicalName
6-Dimethylamino-4,4-diphenyl-3-heptanone.HCl
Methadone hydrochloride
http://www.opentox.org/api/1.1#IUPACName
6-(dimethylamino)-4,4-diphenylheptan-3-one hydrochloride
http://www.opentox.org/api/1.1#SMILES
CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2
Cl.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2
O=C(C(C1=CC=CC=C1)(C2=CC=CC=C2)CC(N(C)C)C)CC
O=C(C(C1=CC=CC=C1)(C2=CC=CC=C2)CC(N(C)C)C)CC.[H]Cl
http://www.opentox.org/api/1.1#CASRN
6119-92-2
http://www.opentox.org/api/1.1#ChemicalName
Dinitro(1-methylheptyl)phenyl crotonate, commercial grade (78%)
http://www.opentox.org/api/1.1#IUPACName
2-(1-methylheptyl)-4,6-dinitrophenyl (2E)-but-2-enoate
http://www.opentox.org/api/1.1#SMILES
C(=O)(/C=C/C)OC1=C(C(CCCCCC)C)C=C(C=C1[N+]([O-])=O)[N+]([O-])=O
http://www.opentox.org/api/1.1#CASRN
316-42-7
http://www.opentox.org/api/1.1#ChemicalName
Emetine dihydrochloride
Emetine.2HCl
http://www.opentox.org/api/1.1#IUPACName
(1'beta)-6',7',10,11-tetramethoxyemetan dihydrochloride
6',7',10,11-tetramethoxyemetan dihydrochloride
http://www.opentox.org/api/1.1#SMILES
[C@@]12(C3=C(C=C(OC)C(=C3)OC)CCN1C[C@H](CC)[C@H](C2)C[C@@]4(C5=C(C=C(OC)C(=C5)OC)CCN4)[H])[H]
[C@@]12(C3=C(C=C(OC)C(=C3)OC)CCN1C[C@H](CC)[C@H](C2)C[C@@]4(C5=C(C=C(OC)C(=C5)OC)CCN4)[H])[H].[H]Cl.[H]Cl
[H][C@@]2(C[C@@H]3[C@@H](CC)CN4[C@@](C(C=C(OC)C(OC)=C5)=C5CC4)([H])C3)C1=CC(OC)=C(OC)C=C1CCN2
[H][C@@]2(C[C@@H]3[C@@H](CC)CN4[C@@](C(C=C(OC)C(OC)=C5)=C5CC4)([H])C3)C1=CC(OC)=C(OC)C=C1CCN2.Cl.Cl
http://www.opentox.org/api/1.1#CASRN
50-28-2
http://www.opentox.org/api/1.1#ChemicalName
17beta oestradiol; 17β-estra-1,3,5(10)-triene-3,17-diol; 17β-estradiol; 17β-oestradiol; beta-Estradiol; cis-estradiol; Estradiol-17beta
17beta-Estradiol
Estradiol
http://www.opentox.org/api/1.1#IUPACName
(17beta)-estra-1(10),2,4-triene-3,17-diol
(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol
http://www.opentox.org/api/1.1#SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CC[C@@H]2O
OC1=CC2=C(C=C1)[C@]3([H])[C@](CC2)([H])[C@@](CCC4O)([H])[C@]4(C)CC3
Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3
http://www.opentox.org/api/1.1#CASRN
22966-79-6
http://www.opentox.org/api/1.1#ChemicalName
Estradiol mustard
http://www.opentox.org/api/1.1#IUPACName
(17beta)-estra-1(10),2,4-triene-3,17-diyl bis({4-[bis(2-chloroethyl)amino]phenyl}acetate)
http://www.opentox.org/api/1.1#SMILES
ClCCN(CCCl)C1=CC=C(CC(OC3=CC=C(C4=C3)[C@]2([H])[C@](CC4)([H])[C@@](CC[C@@H]5OC(CC6=CC=C(N(CCCl)CCCl)C=C6)=O)([H])[C@]5(C)CC2)=O)C=C1
http://www.opentox.org/api/1.1#CASRN
57-63-6
http://www.opentox.org/api/1.1#ChemicalName
17 alpha-Ethinylestradiol; 17 alpha-Ethynylestradiol; 17 alpha-Ethynyloestradiol; 17-ethinyl-3,17-estradiol; 17-ethinyl-3,17-oestradiol; 17-ethinylestradiol; 17alpha-Ethinyl estradiol; 17α-ethynylestradiol; Ethinyl-Oestranol; Ethinylestradiol; Ethinylestradiolum [INN-Latin]; Ethinylestriol; Ethinyloestradiol; Ethynyl estradiol; Ethynylestradiol; Ethynyloestradiol; Etinilestradiol [INN-Spanish]
17alpha-Ethinylestradiol
Ethinyl Estradiol
Ethinyl estradiol
http://www.opentox.org/api/1.1#IUPACName
(17beta)-17-ethynylestra-1(10),2,4-triene-3,17-diol
(1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol
http://www.opentox.org/api/1.1#SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CC[C@@]2(O)C#C
Oc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3
[H][C@]14[C@@]([C@]3([H])CC[C@@](O)(C#C)[C@](C)3CC4)([H])CCC2=CC(O)=CC=C12
http://www.opentox.org/api/1.1#CASRN
102676-31-3
http://www.opentox.org/api/1.1#ChemicalName
Fadrozole hydrochloride
Fadrozole.HCl
http://www.opentox.org/api/1.1#IUPACName
4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile hydrochloride
http://www.opentox.org/api/1.1#SMILES
Cl.N#Cc1ccc(cc1)C3CCCc2cncn23
N#Cc1ccc(cc1)C3CCCc2cncn23
http://www.opentox.org/api/1.1#CASRN
126-07-8
http://www.opentox.org/api/1.1#ChemicalName
Griseofulvin
Griseofulvina [INN-Spanish]; Griseofulvine [INN-French]; Griseofulvinum [INN-Latin]
http://www.opentox.org/api/1.1#IUPACName
(2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
(2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
http://www.opentox.org/api/1.1#SMILES
COC1=CC(OC)=C(Cl)C2=C1C(=O)[C@]1(O2)[C@H](C)CC(=O)C=C1OC
O=C2C1=C(OC)C=C(OC)C(Cl)=C1O[C@]32C(OC)=CC(C[C@@](C)3[H])=O
http://www.opentox.org/api/1.1#CASRN
136-77-6
http://www.opentox.org/api/1.1#ChemicalName
4-Hexylresorcinol
4-n-hexylresorcinol
Hexylresorcinol, 4-
http://www.opentox.org/api/1.1#IUPACName
4-hexylbenzene-1,3-diol
http://www.opentox.org/api/1.1#SMILES
CCCCCCC1=C(O)C=C(O)C=C1
CCCCCCc1ccc(cc1O)O
OC1=C(C=CC(=C1)O)CCCCCC
Oc1cc(O)ccc1CCCCCC
http://www.opentox.org/api/1.1#CASRN
100643-96-7
http://www.opentox.org/api/1.1#ChemicalName
Indolidan
http://www.opentox.org/api/1.1#IUPACName
3,3-dimethyl-5-(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)-1,3-dihydro-2H-indol-2-one
http://www.opentox.org/api/1.1#SMILES
O=C(NC2=C1C=C(C3=NNC(CC3)=O)C=C2)C1(C)C
http://www.opentox.org/api/1.1#CASRN
27912-14-7
http://www.opentox.org/api/1.1#ChemicalName
Levobunolol hydrochloride
Levobunolol.HCl
http://www.opentox.org/api/1.1#IUPACName
5-({(2S)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl}oxy)-3,4-dihydronaphthalen-1(2H)-one hydrochloride
http://www.opentox.org/api/1.1#SMILES
O=C2C1=C(CCC2)C(OC[C@@H](O)CNC(C)(C)C)=CC=C1
O=C2C1=C(CCC2)C(OC[C@@H](O)CNC(C)(C)C)=CC=C1.Cl
http://www.opentox.org/api/1.1#CASRN
72-33-3
http://www.opentox.org/api/1.1#ChemicalName
Mestranol
http://www.opentox.org/api/1.1#IUPACName
(17beta)-17-ethynyl-3-(methyloxy)estra-1,3,5(10)-trien-17-ol
(1S,10R,11S,14R,15S)-14-ethynyl-5-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-ol
http://www.opentox.org/api/1.1#SMILES
COC1=CC2=C(C=C1)[C@H]1CC[C@@]3(C)[C@@H](CC[C@@]3(O)C#C)[C@@H]1CC2
COc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C)c4cc3
COc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3
http://www.opentox.org/api/1.1#CASRN
298-59-9
http://www.opentox.org/api/1.1#ChemicalName
Methylphenidate hydrochloride
Methylphenidate.HCl
http://www.opentox.org/api/1.1#IUPACName
methyl phenyl(piperidin-2-yl)acetate hydrochloride
http://www.opentox.org/api/1.1#SMILES
C(C1=CC=CC=C1)(C2CCCCN2)C(OC)=O
C(C1=CC=CC=C1)(C2CCCCN2)C(OC)=O.[H]Cl
O=C(OC)C(C2CCCCN2)C1=CC=CC=C1
O=C(OC)C(C2CCCCN2)C1=CC=CC=C1.Cl
http://www.opentox.org/api/1.1#CASRN
3771-19-5
http://www.opentox.org/api/1.1#ChemicalName
Nafenopin
http://www.opentox.org/api/1.1#IUPACName
2-methyl-2-{[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]oxy}propanoic acid
http://www.opentox.org/api/1.1#SMILES
CC(C(O)=O)(OC1=CC=C(C=C1)C2CCCC3=C2C=CC=C3)C
http://www.opentox.org/api/1.1#CASRN
55557-03-4
http://www.opentox.org/api/1.1#ChemicalName
Nitrosomethylphenidate
http://www.opentox.org/api/1.1#IUPACName
methyl (1-nitrosopiperidin-2-yl)(phenyl)acetate
http://www.opentox.org/api/1.1#SMILES
C1=CC=C(C(C(=O)OC)C2N(N=O)CCCC2)C=C1
http://www.opentox.org/api/1.1#CASRN
2058-46-0
http://www.opentox.org/api/1.1#ChemicalName
Oxytetracycline hydrochloride
Oxytetracycline.HCl
http://www.opentox.org/api/1.1#IUPACName
(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride
http://www.opentox.org/api/1.1#SMILES
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
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
O=C1[C@](C(O)=C2[C@@]3([H])[C@@](O)(C)C4=C(C(O)=CC=C4)C2=O)(O)[C@]([C@H]3O)([H])[C@H](N(C)C)C(O)=C1C(N)=O
O=C1[C@](C(O)=C2[C@@]3([H])[C@@](O)(C)C4=C(C(O)=CC=C4)C2=O)(O)[C@]([C@H]3O)([H])[C@H](N(C)C)C(O)=C1C(N)=O.Cl
[Cl-].C[NH+](C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)C4=C(C=CC=C4O)[C@@](C)(O)C3C(O)C12
http://www.opentox.org/api/1.1#CASRN
133920-06-6
http://www.opentox.org/api/1.1#ChemicalName
6-Phenylhexyl isothiocyanate
http://www.opentox.org/api/1.1#IUPACName
(6-isothiocyanatohexyl)benzene
http://www.opentox.org/api/1.1#SMILES
S=C=NCCCCCCC1=CC=CC=C1
http://www.opentox.org/api/1.1#CASRN
61477-94-9
http://www.opentox.org/api/1.1#ChemicalName
Pirmenol.HCl
http://www.opentox.org/api/1.1#IUPACName
4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylbutan-1-ol hydrochloride
http://www.opentox.org/api/1.1#SMILES
CC3CCCC(C)N3CCCC(O)(c1ccccc1)c2ccccn2
Cl.CC3CCCC(C)N3CCCC(O)(c1ccccc1)c2ccccn2
http://www.opentox.org/api/1.1#CASRN
150821-03-7
http://www.opentox.org/api/1.1#ChemicalName
Pranlukast hydrate
http://www.opentox.org/api/1.1#IUPACName
bis{N-[4-oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-[(4-phenylbutyl)oxy]benzamide} hydrate
http://www.opentox.org/api/1.1#SMILES
O.O=C(Nc3cccc1c3O/C(=C\C1=O)C2=N\N\N=N2)c5ccc(OCCCCc4ccccc4)cc5.O=C(Nc3cccc1c3O/C(=C\C1=O)/C=2N\N=N/N=2)c5ccc(OCCCCc4ccccc4)cc5
O=C(Nc3cccc1c3O/C(=C\C1=O)/C=2N\N=N/N=2)c5ccc(OCCCCc4ccccc4)cc5
http://www.opentox.org/api/1.1#CASRN
29069-24-7
http://www.opentox.org/api/1.1#ChemicalName
Prednimustine
http://www.opentox.org/api/1.1#IUPACName
(11beta)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
http://www.opentox.org/api/1.1#SMILES
[C@]24([C@@](C(COC(=O)CCCc1ccc(cc1)N(CCCl)CCCl)=O)(CC[C@H]2[C@@H]3CCC=5[C@@]([C@H]3[C@H](C4)O)(\C=C/C(C=5)=O)C)O)C
http://www.opentox.org/api/1.1#CASRN
12126-59-9
http://www.opentox.org/api/1.1#ChemicalName
Premarin
http://www.opentox.org/api/1.1#IUPACName
sodium 17-oxoestra-1(10),2,4,7-tetraen-3-yl sulfate
http://www.opentox.org/api/1.1#SMILES
O=C4[C@@]3(C)CC[C@]2([H])C1=CC=C(OS(=O)(O)=O)C=C1CC=C2[C@@]([H])3CC4
O=C4[C@@]3(C)CC[C@]2([H])C1=CC=C(OS(=O)([O-])=O)C=C1CC=C2[C@@]([H])3CC4.[Na+]
http://www.opentox.org/api/1.1#CASRN
83-59-0
http://www.opentox.org/api/1.1#ChemicalName
n-Propyl isome
http://www.opentox.org/api/1.1#IUPACName
dipropyl 7-methyl-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-5,6-dicarboxylate
http://www.opentox.org/api/1.1#SMILES
CCCOC(=O)[CH]1[CH](C)CC2=C(C=C3OCOC3=C2)[CH]1C(=O)OCCC
http://www.opentox.org/api/1.1#CASRN
1508-45-8
http://www.opentox.org/api/1.1#ChemicalName
Proresid
http://www.opentox.org/api/1.1#IUPACName
(5R,6R,7R,8R)-N'-ethyl-8-hydroxy-7-(hydroxymethyl)-5-[3,4,5-tris(methyloxy)phenyl]-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carbohydrazide
http://www.opentox.org/api/1.1#SMILES
c12[C@H]([C@@H](C(=O)NNCC)[C@@H]([C@H](c1cc3c(c2)OCO3)O)CO)c4cc(c(c(c4)OC)OC)OC
http://www.opentox.org/api/1.1#CASRN
82586-55-8
http://www.opentox.org/api/1.1#ChemicalName
Quinapril hydrochloride
Quinapril.HCl
http://www.opentox.org/api/1.1#IUPACName
(3S)-2-(N-{(1S)-1-[(ethyloxy)carbonyl]-3-phenylpropyl}-L-alanyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride
http://www.opentox.org/api/1.1#SMILES
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(O)=O
Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(O)=O
http://www.opentox.org/api/1.1#CASRN
83-79-4
http://www.opentox.org/api/1.1#ChemicalName
Rotenone
http://www.opentox.org/api/1.1#IUPACName
(2R,6aS,12aS)-2-isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one
http://www.opentox.org/api/1.1#SMILES
C=C(C)[C@@H]2Oc3ccc1C(=O)[C@H]4c5cc(OC)c(OC)cc5OC[C@H]4Oc1c3C2
CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC
O=C([C@](C(C=C4OC)=C(C=C4OC)OC3)([H])[C@]3([H])O2)C(C=C5)=C2C1=C5O[C@@H]([C@@](C)=C)C1
[H][C@@]12COC3=C(C=C(OC)C(OC)=C3)[C@]1([H])C(=O)C4=CC=C5O[C@H](CC5=C4O2)C(C)=C
http://www.opentox.org/api/1.1#CASRN
79559-97-0
http://www.opentox.org/api/1.1#ChemicalName
Sertraline hydrochloride
Sertraline.HCl
http://www.opentox.org/api/1.1#IUPACName
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
http://www.opentox.org/api/1.1#SMILES
ClC1=C(Cl)C=CC([C@H]2C3=C(C=CC=C3)[C@@H](NC)CC2)=C1
ClC1=C(Cl)C=CC([C@H]2C3=C(C=CC=C3)[C@@H](NC)CC2)=C1.Cl
http://www.opentox.org/api/1.1#CASRN
64-75-5
http://www.opentox.org/api/1.1#ChemicalName
Tetracycline hydrochloride
Tetracycline.HCl
http://www.opentox.org/api/1.1#IUPACName
(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride
http://www.opentox.org/api/1.1#SMILES
Cl.CN(C)C1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(C=CC=C4O)[C@@](C)(O)C3CC12
Cl.CN(C)[C@@H]2C(\O)=C(\C(N)=O)C(=O)[C@@]3(O)C(/O)=C4/C(=O)c1c(cccc1O)[C@@](C)(O)[C@H]4C[C@@H]23
[C@@]12([C@](/C(=C3C(C4=C(C=CC=C([C@@]([C@@](C1)\3[H])(C)O)4)O)=O)O)(C(\C(C(N)=O)=C(/[C@H]2N(C)C)O)=O)O)[H]
[H][C@@]13C(C(C2=C(O)C=CC=C2[C@@](O)3C)=O)=C(O)[C@@](C(C(C(N)=O)=C(O)[C@H]4N(C)C)=O)(O)[C@@]4([H])C1
[H][C@@]13C(C(C2=C(O)C=CC=C2[C@@](O)3C)=O)=C(O)[C@@](C(C(C(N)=O)=C(O)[C@H]4N(C)C)=O)(O)[C@@]4([H])C1.Cl
http://www.opentox.org/api/1.1#CASRN
1972-08-3
http://www.opentox.org/api/1.1#ChemicalName
1-trans-delta-9-Tetrahydrocannabinol
Dronabinol
http://www.opentox.org/api/1.1#IUPACName
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromen-1-ol
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol
http://www.opentox.org/api/1.1#SMILES
CCCCCC1=CC(O)=C2[C@@H]3C=C(C)CC[C@H]3C(C)(C)OC2=C1
OC2=C1[C@@](C=C(C)CC3)([H])[C@]3([H])C(C)(C)OC1=CC(CCCCC)=C2
http://www.opentox.org/api/1.1#CASRN
55567-81-2
http://www.opentox.org/api/1.1#ChemicalName
Tilidine fumarate
http://www.opentox.org/api/1.1#IUPACName
ethyl (1S,2R)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate (2E)-but-2-enedioate
http://www.opentox.org/api/1.1#SMILES
CN(C)[C@@H]2/C=C\CC[C@@]2(c1ccccc1)C(=O)OCC.OC(=O)\C=C\C(O)=O
http://www.opentox.org/api/1.1#CASRN
1406-66-2
http://www.opentox.org/api/1.1#ChemicalName
dl-Tocopherol mixture, natural (alpha, beta, gamma and delta)
http://www.opentox.org/api/1.1#IUPACName
2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol
http://www.opentox.org/api/1.1#SMILES
OC2=C(C)C1=C(C(C)=C2)OC(CCCC(C)CCCC(C)CCCC(C)C)(C)CC1
http://www.opentox.org/api/1.1#CASRN
112665-43-7
http://www.opentox.org/api/1.1#ChemicalName
(+-)-7-(3,5,6-trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid
seratrodast
http://www.opentox.org/api/1.1#IUPACName
7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid
http://www.opentox.org/api/1.1#SMILES
CC1=C(C)C(=O)C(=C(C)C1=O)C(CCCCCC(O)=O)c2ccccc2
O=C(C(C)=C2C)C(C(CCCCCC(O)=O)C1=CC=CC=C1)=C(C)C2=O
http://www.opentox.org/api/1.1#CASRN
23214-92-8
http://www.opentox.org/api/1.1#ChemicalName
Adriamycin
Doxorubicin
Doxorubicin HCl; Doxorubicin Hydrochloride; Doxorubicina [INN-Spanish]; Doxorubicine [INN-French]; Doxorubicinum [INN-Latin]
http://www.opentox.org/api/1.1#IUPACName
(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
http://www.opentox.org/api/1.1#SMILES
COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O
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
http://www.opentox.org/api/1.1#CASRN
94361-06-5
http://www.opentox.org/api/1.1#ChemicalName
Cyproconazol
Cyproconazole
cyproconazole
http://www.opentox.org/api/1.1#IUPACName
2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
http://www.opentox.org/api/1.1#SMILES
CC(C1CC1)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O
ClC1=CC=C(C(CN2C=NC=N2)(C(C)C3CC3)O)C=C1
OC(Cn1cncn1)(C(C)C2CC2)c3ccc(Cl)cc3
http://www.opentox.org/api/1.1#CASRN
114369-43-6
http://www.opentox.org/api/1.1#ChemicalName
Fenbuconazole
fenbuconazole
http://www.opentox.org/api/1.1#IUPACName
4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrile
http://www.opentox.org/api/1.1#SMILES
C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N
ClC1=CC=C(CCC(C#N)(CN3N=CN=C3)C2=CC=CC=C2)C=C1
Clc3ccc(CCC(Cn1cncn1)(C#N)c2ccccc2)cc3
http://www.opentox.org/api/1.1#CASRN
79983-71-4
http://www.opentox.org/api/1.1#ChemicalName
Hexaconazol
Hexaconazole
hexaconazole
http://www.opentox.org/api/1.1#IUPACName
2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol
http://www.opentox.org/api/1.1#SMILES
ClC1=CC(Cl)=CC=C1C(CCCC)(O)CN2C=NC=N2
OC(CCCC)(Cn1cncn1)c2ccc(Cl)cc2Cl
http://www.opentox.org/api/1.1#CASRN
104206-82-8
http://www.opentox.org/api/1.1#ChemicalName
Mesotrione
mesotrione
http://www.opentox.org/api/1.1#IUPACName
2-[4-(methylsulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione
http://www.opentox.org/api/1.1#SMILES
O=C1C(C(C2=C([N+]([O-])=O)C=C(S(=O)(C)=O)C=C2)=O)C(CCC1)=O
O=C2CCCC(=O)C2C(=O)c1ccc(cc1[N+]([O-])=O)S(C)(=O)=O
http://www.opentox.org/api/1.1#CASRN
88671-89-0
http://www.opentox.org/api/1.1#ChemicalName
Myclobutanil
Systhane
http://www.opentox.org/api/1.1#IUPACName
2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile
http://www.opentox.org/api/1.1#SMILES
CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(Cl)C=C2
Clc1ccc(cc1)C(CCCC)(Cn2cncn2)C#N
N#CC(c1ccc(cc1)Cl)(Cn2ncnc2)CCCC
http://www.opentox.org/api/1.1#CASRN
6153-64-6
http://www.opentox.org/api/1.1#ChemicalName
Oxytetracycline dihydrate
http://www.opentox.org/api/1.1#IUPACName
(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide dihydrate
http://www.opentox.org/api/1.1#SMILES
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
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
O=C1[C@](C(O)=C2[C@@]3([H])[C@@](O)(C)C4=C(C(O)=CC=C4)C2=O)(O)[C@]([C@H]3O)([H])[C@H](N(C)C)C(O)=C1C(N)=O.O.O
[C@]\21([C@H]([C@@H](C(=C(/C1=O)C(=O)N)\O)N(C)C)[C@H]([C@H]3/C(=C/2O)C(c4c([C@]3(O)C)cccc4O)=O)O)O
http://www.opentox.org/api/1.1#CASRN
76738-62-0
http://www.opentox.org/api/1.1#ChemicalName
Paclobutrazol
http://www.opentox.org/api/1.1#IUPACName
(2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol
1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)[C@@H](O)[C@H](CC1=CC=C(Cl)C=C1)N2C=NC=N2.CC(C)(C)[C@H](O)[C@@H](CC3=CC=C(Cl)C=C3)N4C=NC=N4
OC(C(C)(C)C)C(CC(C=C1)=CC=C1Cl)N2N=CN=C2
OC(C(Cc1ccc(Cl)cc1)n2cncn2)C(C)(C)C
O[C@H]([C@H](Cc1ccc(Cl)cc1)n2cncn2)C(C)(C)C
http://www.opentox.org/api/1.1#CASRN
87820-88-0
http://www.opentox.org/api/1.1#ChemicalName
Tralkoxydim
tralkoxydim
http://www.opentox.org/api/1.1#IUPACName
2-(N-ethoxypropanimidoyl)-3-hydroxy-5-mesitylcyclohex-2-en-1-one
http://www.opentox.org/api/1.1#SMILES
CC/C(=NOCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C
CC\C(=N\OCC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C
O=C1C(C(CC)=NOCC)=C(O)CC(C2=C(C)C=C(C)C=C2C)C1
http://www.opentox.org/api/1.1#CASRN
167998-73-4
http://www.opentox.org/api/1.1#ChemicalName
1-(2’,3’4’5’-Tetramethylphenyl)butane-1,3-dione
http://www.opentox.org/api/1.1#SMILES
CC(=O)CC(=O)c1cc(c(c(c1C)C)C)C
http://www.opentox.org/api/1.1#CASRN
167998-76-7
http://www.opentox.org/api/1.1#ChemicalName
1-(2’,5’-Diethylphenyl)butane-1,3-dione
http://www.opentox.org/api/1.1#SMILES
CCc1ccc(c(c1)C(=O)CC(C)=O)CC
http://www.opentox.org/api/1.1#CASRN
56290-55-2
http://www.opentox.org/api/1.1#ChemicalName
1-(2’,5’-Dimethylphenyl)butane-1,3-dione
http://www.opentox.org/api/1.1#SMILES
CC(=O)CC(=O)c1cc(ccc1C)C
http://www.opentox.org/api/1.1#CASRN
135099-98-8
http://www.opentox.org/api/1.1#ChemicalName
1-(3’,4’,5’-Trimethoxyphenyl)-4-dimethylpentane-1,3,-dione
http://www.opentox.org/api/1.1#SMILES
COc1cc(cc(c1OC)OC)C(=O)CC(=O)C(C)(C)C
http://www.opentox.org/api/1.1#CASRN
6668-24-2
http://www.opentox.org/api/1.1#ChemicalName
1-Phenyl-2-methylbutane-1,3-dione
http://www.opentox.org/api/1.1#SMILES
CC(C(C)=O)C(=O)c1ccccc1
http://www.opentox.org/api/1.1#CASRN
326-06-7
http://www.opentox.org/api/1.1#ChemicalName
3-benzoyl-1,1,1-trifluoroacetone
4,4,4-Trifluoro-1-phenyl-1,3-butanedione
4,4,4-Trifluro-1-phenylbutane-1,3-dione
http://www.opentox.org/api/1.1#IUPACName
4,4,4-trifluoro-1-phenylbutane-1,3-dione
http://www.opentox.org/api/1.1#SMILES
FC(F)(F)C(=O)CC(=O)c1ccccc1
O=C(CC(=O)C(F)(F)F)c1ccccc1
c1ccc(cc1)C(=O)CC(=O)C(F)(F)F
http://www.opentox.org/api/1.1#CASRN
2550-26-7
http://www.opentox.org/api/1.1#ChemicalName
2-butanone, 4-phenyl-
Benzyl acetone
Benzylacetone
http://www.opentox.org/api/1.1#IUPACName
4-phenylbutan-2-one
http://www.opentox.org/api/1.1#SMILES
CC(=O)CCc1ccccc1
O=C(CCC1=CC=CC=C1)C
http://www.opentox.org/api/1.1#CASRN
81-81-2
http://www.opentox.org/api/1.1#ChemicalName
Warfarin
warfarin
http://www.opentox.org/api/1.1#IUPACName
4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
http://www.opentox.org/api/1.1#SMILES
C1=CC=C3C(=C1)OC(=O)C(C(CC(C)=O)C2=CC=CC=C2)=C3O
CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3
CC(=O)CC(C=1C(=O)c2ccccc2OC=1O)c3ccccc3
http://www.opentox.org/api/1.1#CASRN
152-11-4
http://www.opentox.org/api/1.1#ChemicalName
Verapamil hydrochloride
http://www.opentox.org/api/1.1#IUPACName
2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile hydrochloride
http://www.opentox.org/api/1.1#SMILES
N#CC(CCCN(C)CCC2=CC=C(OC)C(OC)=C2)(C(C)C)C1=CC=C(OC)C(OC)=C1
N#CC(CCCN(C)CCC2=CC=C(OC)C(OC)=C2)(C(C)C)C1=CC=C(OC)C(OC)=C1.Cl
http://www.opentox.org/api/1.1#CASRN
52-86-8
http://www.opentox.org/api/1.1#ChemicalName
Haloperidol
haloperidol
http://www.opentox.org/api/1.1#IUPACName
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
http://www.opentox.org/api/1.1#SMILES
Fc1ccc(cc1)C(=O)CCCN2CCC(O)(CC2)c3ccc(Cl)cc3
OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1
OC2(CCN(CCCC(=O)c1ccc(F)cc1)CC2)c3ccc(Cl)cc3
OC2(CCN(CCCC(C3=CC=C(F)C=C3)=O)CC2)C1=CC=C(Cl)C=C1
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
http://www.opentox.org/api/1.1#CASRN
57-24-9
http://www.opentox.org/api/1.1#ChemicalName
Strychnine
http://www.opentox.org/api/1.1#IUPACName
strychnidin-10-one
http://www.opentox.org/api/1.1#SMILES
[C@@H]12C=6CN7[C@@H](C1)[C@@]4([C@@H]3[C@@H]2[C@H](CC(N3c5ccccc45)=O)OCC=6)CC7
http://www.opentox.org/api/1.1#CASRN
357-57-3
http://www.opentox.org/api/1.1#ChemicalName
Brucine
Strychnidin-10-one, 2,3-dimethoxy-
http://www.opentox.org/api/1.1#IUPACName
2,3-Dimethoxystrychnidin-10-one
http://www.opentox.org/api/1.1#SMILES
COc6cc7N1C(=O)CC2OC\C=C5\CN3CC[C@@]4(C1[C@H]2[C@H]5C[C@H]34)c7cc6OC
http://www.opentox.org/api/1.1#CASRN
97322-87-7
http://www.opentox.org/api/1.1#ChemicalName
Troglitazone
troglitazone
http://www.opentox.org/api/1.1#IUPACName
5-({4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
5-[(4-{[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl)methyl]oxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione
http://www.opentox.org/api/1.1#SMILES
C1(C)=C(O)C(C)=C4C(=C1C)OC(C)(COC3=CC=C(CC2SC(=O)NC2=O)C=C3)CC4
CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O
Cc1c(O)c(C)c(C)c2OC(C)(CCc12)COc4ccc(CC3SC(=O)NC3=O)cc4
http://www.opentox.org/api/1.1#ChemicalName
Goserelin
http://www.opentox.org/api/1.1#IUPACName
(2S)-1-[(2S)-2-[(2S)-2-[(2R)-3-(tert-butoxy)-2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-5-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-4-methylpentanamido]-5-[(diaminomethylidene)amino]pentanoyl]-N-(carbamoylamino)pyrrolidine-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O
http://www.opentox.org/api/1.1#ChemicalName
(-)-Tryptophan; (S)-a-Amino-1H-indole-3-propanoic acid; (S)-a-Amino-b-indolepropionic acid; (S)-a-Aminoindole-3-propionic acid; (S)-Tryptophan; 2-Amino-3-indolylpropanoic acid; 3-Indol-3-ylalanine; alpha-Amino-beta-(3-indolyl)-propionic acid; L-(-)-Tryptophan; l-a-Aminoindole-3-propionic acid; l-b-3-Indolylalanine; L-Tryptophane; Tryptophan; Tryptophane
L-Tryptophan
http://www.opentox.org/api/1.1#IUPACName
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
http://www.opentox.org/api/1.1#SMILES
N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O
http://www.opentox.org/api/1.1#CASRN
54739-18-3
http://www.opentox.org/api/1.1#ChemicalName
Fluvoxamina [INN-Spanish]; Fluvoxamine maleate; fluvoxamine-CR; Fluvoxaminum [INN-Latin]
Fluvoxamine
http://www.opentox.org/api/1.1#IUPACName
(2-aminoethoxy)({5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene})amine
2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine
http://www.opentox.org/api/1.1#SMILES
COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F
FC(F)(F)C(C=C1)=CC=C1/C(CCCCOC)=N/OCCN
http://www.opentox.org/api/1.1#CASRN
87333-19-5
http://www.opentox.org/api/1.1#ChemicalName
Ramipril
Ramiprilum [Latin]
http://www.opentox.org/api/1.1#IUPACName
(2S,3aS,6aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-octahydrocyclopenta[b]pyrrole-2-carboxylic acid
N-(1S-carboethoxy-3-phenylpropyl)-S-alanyl-cis,endo-2-azabicyclo[3.3.0]octane-3S-carboxylic Acid
http://www.opentox.org/api/1.1#SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(O)=O
N1([C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O)C([C@@H](N[C@H](C(=O)OCC)CCc3ccccc3)C)=O
http://www.opentox.org/api/1.1#ChemicalName
Pentagastrin
http://www.opentox.org/api/1.1#IUPACName
(3S)-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-[(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-(3-{[(2-methylpropoxy)carbonyl]amino}propanamido)propanamido]-4-(methylsulfanyl)butanamido]propanoic acid
http://www.opentox.org/api/1.1#SMILES
CSCC[C@H](NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)CCNC(=O)OCC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O
http://www.opentox.org/api/1.1#ChemicalName
9-(3-(Isopropylamino)propyl)-9-fluorenylcarboxamid; 9-(3-(Isopropylamino)propyl))fluorene-9-carboxamide; Indecainida [Spanish]; Indecainidum [Latin]; Ricainid; Ricainide
9h-fluorene-9-carboxamide, 9-[3-[(1-methylethyl)
Indecainide
http://www.opentox.org/api/1.1#IUPACName
9-{3-[(propan-2-yl)amino]propyl}-9H-fluorene-9-carboxamide
http://www.opentox.org/api/1.1#SMILES
CC(C)NCCCC1(C(N)=O)C2=CC=CC=C2C2=CC=CC=C12
NC(=O)C3(CCCNC(C)C)c1ccccc1c2ccccc23
http://www.opentox.org/api/1.1#CASRN
27203-92-5
http://www.opentox.org/api/1.1#ChemicalName
Tramadol
Tramadol HCl; Tramadol hydrochloride; Tramadolum [INN-Latin]; Tramodol Hcl
http://www.opentox.org/api/1.1#IUPACName
(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
(1R,2R)-2-[(dimethylamino)methyl]-1-[3-(methyloxy)phenyl]cyclohexanol
http://www.opentox.org/api/1.1#SMILES
COC1=CC=CC(=C1)[C@@]1(O)CCCC[C@@H]1CN(C)C
[C@@]1([C@@H](CN(C)C)CCCC1)(c2cc(OC)ccc2)O
http://www.opentox.org/api/1.1#CASRN
106685-40-9
http://www.opentox.org/api/1.1#ChemicalName
Adapalene
Adapaleno [INN-Spanish]; Adapalenum [INN-Latin]
http://www.opentox.org/api/1.1#IUPACName
6-[3-(adamantan-1-yl)-4-methoxyphenyl]naphthalene-2-carboxylic acid
6-[4-methoxy-3-(tricyclo[3.3.1.13,7]dec-1-yl)phenyl]naphthalene-2-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2
OC(C6=CC5=CC=C(C=C5C=C6)C1=CC(C2(CC4C3)CC3CC(C4)C2)=C(OC)C=C1)=O
http://www.opentox.org/api/1.1#ChemicalName
Citalopram
Citalopram Hydrobromide; Citalopramum [INN-Latin]
citalopram
http://www.opentox.org/api/1.1#IUPACName
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
http://www.opentox.org/api/1.1#SMILES
CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1
CN(C)CCCC2(OCc1cc(ccc12)C#N)c3ccc(F)cc3
http://www.opentox.org/api/1.1#ChemicalName
DCF; Hydroxymethylgramicidin; Methocidin [Dcf:Inn]; Methocidine [INN-French]; Methocidinum [INN-Latin]; Metocidina [INN-Spanish]; Oxiphenonum; Oxyphenonium Bromide
Oxyphenonium
oxyphenonium
http://www.opentox.org/api/1.1#IUPACName
{2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}diethylmethylazanium
http://www.opentox.org/api/1.1#SMILES
CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1
OC(C(=O)OCC[N+](C)(CC)CC)(c1ccccc1)C2CCCCC2
http://www.opentox.org/api/1.1#ChemicalName
Isoetarina [INN-Spanish]; Isoetarinum [INN-Latin]; Isoetharine Hcl; Isoetharine mesylate
Isoetharine
http://www.opentox.org/api/1.1#IUPACName
4-{1-hydroxy-2-[(propan-2-yl)amino]butyl}benzene-1,2-diol
http://www.opentox.org/api/1.1#SMILES
CCC(NC(C)C)C(O)C1=CC(O)=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
Compound J; Indinavir sulfate
Indinavir
http://www.opentox.org/api/1.1#IUPACName
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)NC(=O)[C@@H]1CN(CC2=CN=CC=C2)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12
http://www.opentox.org/api/1.1#CASRN
81409-90-7
http://www.opentox.org/api/1.1#ChemicalName
Cabergolina [Spanish]; Cabergolinum [Latin]
Cabergoline
http://www.opentox.org/api/1.1#IUPACName
(8beta)-N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-prop-2-en-1-ylergoline-8-carboxamide
1-[3-(dimethylamino)propyl]-3-ethyl-1-{[(2R,4R,7R)-6-(prop-2-en-1-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraen-4-yl]carbonyl}urea
http://www.opentox.org/api/1.1#SMILES
CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4N\C=C(\C[C@H]2N(C1)CC=C)c34
CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(CC=C)C1
http://www.opentox.org/api/1.1#ChemicalName
Doxcycline anhydrous; Doxycycline Hyclate; Doxycycline Monohydrate; Doxytetracycline
Doxycycline
http://www.opentox.org/api/1.1#IUPACName
(4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C2C(=O)C2=C1C=CC=C2O
http://www.opentox.org/api/1.1#ChemicalName
7-Chlorotetracycline; Chlorotetracycline; Chlorotetracycline hydrochloride; Chlortetracyclin; Chlortetracycline; Chlortetracycline hydrochloride; Chlortetracyclinium chloride; CLTC
Lymecycline
http://www.opentox.org/api/1.1#IUPACName
(2S)-6-[({[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracen-2-yl]formamido}methyl)amino]-2-aminohexanoic acid
http://www.opentox.org/api/1.1#SMILES
CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C1O)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O
http://www.opentox.org/api/1.1#CASRN
93413-69-5
http://www.opentox.org/api/1.1#ChemicalName
Venlafaxina [INN-Spanish]; Venlafaxine [INN:Ban]; Venlafaxinum [INN-Latin]
Venlafaxine
http://www.opentox.org/api/1.1#IUPACName
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
1-{2-(dimethylamino)-1-[4-(methyloxy)phenyl]ethyl}cyclohexanol
http://www.opentox.org/api/1.1#SMILES
C(C1(O)CCCCC1)(C2C=CC(OC)=CC=2)CN(C)C
COC1=CC=C(C=C1)C(CN(C)C)C1(O)CCCCC1
http://www.opentox.org/api/1.1#ChemicalName
Conjugated Estrogens
Estrogens; Estrone Estrone Hydrogen Sulfate; Estrone Hydrogen Sulfate; Estrone Sodium Sulfate; Estrone Sulfate; Estrone Sulfate Sodium; Estrone Sulphate; Estrone-sulfate; Oestrone Sulphate; Sodium Estrone Sulfate
http://www.opentox.org/api/1.1#IUPACName
sodium (1S,10R,11S,15S)-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-5-yl sulfate
http://www.opentox.org/api/1.1#SMILES
[Na+].C[C@]12CC[C@H]3[C@@H](CCC4=CC(OS([O-])(=O)=O)=CC=C34)[C@@H]1CCC2=O
http://www.opentox.org/api/1.1#ChemicalName
Floxacillin; Flucloxacilina [INN-Spanish]; Flucloxacillin Sodium; Flucloxacillin-Sodium; Flucloxacilline [INN-French]; Flucloxacillinum [INN-Latin]
Flucloxacillin
http://www.opentox.org/api/1.1#IUPACName
(2S,5R,6R)-6-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C(=NO1)C1=C(F)C=CC=C1Cl
http://www.opentox.org/api/1.1#CASRN
153559-49-0
http://www.opentox.org/api/1.1#ChemicalName
Bexarotene
bexarotene
http://www.opentox.org/api/1.1#IUPACName
4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid
http://www.opentox.org/api/1.1#SMILES
CC1=CC2=C(C=C1C(=C)C1=CC=C(C=C1)C(O)=O)C(C)(C)CCC2(C)C
O=C(O)c1ccc(cc1)C(=C)c2cc3c(cc2C)C(C)(C)CCC3(C)C
OC(C3=CC=C(C=C3)C(C2=CC1=C(C=C2C)C(C)(C)CCC(C)1C)=C)=O
http://www.opentox.org/api/1.1#ChemicalName
Ibutilida [INN-Spanish]; Ibutilide Fumarate; Ibutilidum [INN-Latin]
Ibutilide
http://www.opentox.org/api/1.1#IUPACName
N-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide
http://www.opentox.org/api/1.1#SMILES
CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
Desacetylvinblastine Amide Sulfate; Vindesine Sulfate
Vindesine
http://www.opentox.org/api/1.1#IUPACName
methyl (13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
http://www.opentox.org/api/1.1#SMILES
CC[C@]1(O)C[C@H]2CN(C1)CCC1=C(NC3=CC=CC=C13)[C@@](C2)(C(=O)OC)C1=C(OC)C=C2N(C)[C@@H]3[C@]4(CCN5CC=C[C@](CC)([C@@H]45)[C@@H](O)[C@]3(O)C(N)=O)C2=C1
http://www.opentox.org/api/1.1#CASRN
511-12-6
http://www.opentox.org/api/1.1#ChemicalName
9,10-dihydro-ergotamine; Dihidroergotamina [INN-Spanish]; Dihydroergotamine mesylate; Dihydroergotamine methanesulfonate; Dihydroergotamine monomethanesulfonate; Dihydroergotaminum [INN-Latin]
Dihydroergotamine
http://www.opentox.org/api/1.1#IUPACName
(2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide
(5x,5'a,11'x)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman
http://www.opentox.org/api/1.1#SMILES
CN1C[C@@H](C[C@H]2[C@H]1CC1=CNC3=CC=CC2=C13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC3=CC=CC=C3)N2C1=O
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
CN2C[C@@H](CC1c3cccc4ncc(CC12)c34)C(=O)N[C@]8(C)O[C@]7(O)N([C@@H](Cc5ccccc5)C(=O)N6CCCC67)C8=O
http://www.opentox.org/api/1.1#ChemicalName
Dihydromorfinon [Czech]; Dihydromorphinone; Hidromorfona [INN-Spanish]; Hydromorfona [Spanish]; Hydromorphon; Hydromorphone HCL; Hydromorphonum [INN-Latin]
Hydromorphone
http://www.opentox.org/api/1.1#IUPACName
(1S,5R,13R,17R)-10-hydroxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one
http://www.opentox.org/api/1.1#SMILES
CN1CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@@H]2CCC4=O)=C35
http://www.opentox.org/api/1.1#ChemicalName
(+/-)-Methadone; (+/-)-Methadone hydrochloride; dl-Methadone; DL-Methadone hydrochloride; Methadon; Methadone HCL; Methadone hydrochloride; Phenadone hydrochloride
Methadone
methadone
http://www.opentox.org/api/1.1#IUPACName
6-(dimethylamino)-4,4-diphenylheptan-3-one
http://www.opentox.org/api/1.1#SMILES
CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
O=C(C(c1ccccc1)(c2ccccc2)C[C@@H](N(C)C)C)CC
http://www.opentox.org/api/1.1#ChemicalName
Methixen [German]; Methixene; Methixene hydrochloride; Metisene [DCIT]; Metixene hydrochloride; Metixeno [INN-Spanish]; Metixenum [INN-Latin]
Metixene
http://www.opentox.org/api/1.1#IUPACName
1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine
http://www.opentox.org/api/1.1#SMILES
CN1CCCC(CC2C3=CC=CC=C3SC3=CC=CC=C23)C1
http://www.opentox.org/api/1.1#CASRN
50679-08-8
http://www.opentox.org/api/1.1#ChemicalName
Terfenadine
Ternadin
terfenadine
http://www.opentox.org/api/1.1#IUPACName
1-(4-tert-butylphenyl)-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butan-1-ol
1-[4-(1,1-dimethylethyl)phenyl]-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butan-1-ol
http://www.opentox.org/api/1.1#SMILES
C4=CC=CC(C(O)(C1=CC=CC=C1)C3CCN(CCCC(O)C2=CC=C(C(C)(C)C)C=C2)CC3)=C4
CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4
http://www.opentox.org/api/1.1#ChemicalName
Protriptyline
Protryptyline
http://www.opentox.org/api/1.1#IUPACName
methyl(3-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl}propyl)amine
http://www.opentox.org/api/1.1#SMILES
CNCCCC1C2=CC=CC=C2C=CC2=CC=CC=C12
http://www.opentox.org/api/1.1#ChemicalName
Nitisinone
http://www.opentox.org/api/1.1#IUPACName
2-{[2-nitro-4-(trifluoromethyl)phenyl]carbonyl}cyclohexane-1,3-dione
http://www.opentox.org/api/1.1#SMILES
[O-][N+](=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1C(=O)CCCC1=O
http://www.opentox.org/api/1.1#CASRN
125-84-8
http://www.opentox.org/api/1.1#ChemicalName
Aminoglutethimide
Dl-Aminoglutethimide; P-Aminoglutethimide
aminoglutethimide
http://www.opentox.org/api/1.1#IUPACName
3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione
http://www.opentox.org/api/1.1#SMILES
CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1
CCC1(CCC(=O)NC1=O)c2ccc(N)cc2
N2C(=O)CCC(C1=CC=C(N)C=C1)(CC)C2=O
http://www.opentox.org/api/1.1#ChemicalName
Mefloquine
Mefloquine HCL; Mefloquinone
http://www.opentox.org/api/1.1#IUPACName
[2,8-bis(trifluoromethyl)quinolin-4-yl](piperidin-2-yl)methanol
http://www.opentox.org/api/1.1#SMILES
OC(C1CCCCN1)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F
http://www.opentox.org/api/1.1#ChemicalName
Vinorelbin; Vinorelbina [Spanish]; Vinorelbine Bitartrate; Vinorelbine Ditartarate; Vinorelbine Ditartrate; Vinorelbine Tartrate; Vinorelbinum [Latin]
Vinorelbine
http://www.opentox.org/api/1.1#IUPACName
methyl (1R,9R,10R,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(12S,14R)-16-ethyl-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0^{3,11}.0^{4,9}]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,13-tetraene-10-carboxylate
http://www.opentox.org/api/1.1#SMILES
[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@@]2(O)C(=O)OC)[C@@]13[H])[C@]1(C[C@@]2([H])CN(CC(CC)=C2)CC2=C1NC1=CC=CC=C21)C(=O)OC
http://www.opentox.org/api/1.1#ChemicalName
Anidulafungin
http://www.opentox.org/api/1.1#IUPACName
N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-18-yl]-4-{4-[4-(pentyloxy)phenyl]phenyl}benzamide
http://www.opentox.org/api/1.1#SMILES
CCCCCOC1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@@H](C)O
http://www.opentox.org/api/1.1#ChemicalName
Treprostinil
http://www.opentox.org/api/1.1#IUPACName
2-{[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-1H,2H,3H,3aH,4H,9H,9aH-cyclopenta[b]naphthalen-5-yl]oxy}acetic acid
http://www.opentox.org/api/1.1#SMILES
[H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])CC1=C(C2)C(OCC(O)=O)=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
Trihexifenidilo [INN-Spanish]; Trihexylphenidyl; Trihexylphenidyle; Trihexylphenizyl; Trihexyphenidyl HCl; Trihexyphenidyle; Trihexyphenidyle [INN-French]; Trihexyphenidylum [INN-Latin]; Triphenidyl
Trihexyphenidyl
trihexylphenedyl
trihexyphenidyl
http://www.opentox.org/api/1.1#IUPACName
1-cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol
http://www.opentox.org/api/1.1#SMILES
OC(CCN1CCCCC1)(C1CCCCC1)C1=CC=CC=C1
OC(CCN1CCCCC1)(c2ccccc2)C3CCCCC3
OC(c1ccccc1)(CCN2CCCCC2)C3CCCCC3
http://www.opentox.org/api/1.1#ChemicalName
Palonosetron
http://www.opentox.org/api/1.1#IUPACName
(5R)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),9,11-trien-2-one
http://www.opentox.org/api/1.1#SMILES
O=C1N(C[C@@H]2CCCC3=C2C1=CC=C3)[C@@H]1CN2CCC1CC2
http://www.opentox.org/api/1.1#ChemicalName
Oxifencicliminum [INN-Spanish]; Oxiphencycliminum; Oxyphencyclimine Hydrochloride; Oxyphencycliminum [INN-Latin]
Oxyphencyclimine
http://www.opentox.org/api/1.1#IUPACName
(1-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
http://www.opentox.org/api/1.1#SMILES
CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
Antibiotic Ad 32
Valrubicin
http://www.opentox.org/api/1.1#IUPACName
2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-{[5-hydroxy-6-methyl-4-(trifluoroacetamido)oxan-2-yl]oxy}-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate
http://www.opentox.org/api/1.1#SMILES
CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](OC2CC(NC(=O)C(F)(F)F)C(O)C(C)O2)C2=C(C1)C(O)=C1C(=O)C3=C(C(=O)C1=C2O)C(OC)=CC=C3
http://www.opentox.org/api/1.1#ChemicalName
Prociclidina [INN-Spanish]; Procyclidinum [INN-Latin]
Procyclidine
procyclidine
http://www.opentox.org/api/1.1#IUPACName
1-cyclohexyl-1-phenyl-3-(pyrrolidin-1-yl)propan-1-ol
http://www.opentox.org/api/1.1#SMILES
OC(CCN1CCCC1)(C1CCCCC1)C1=CC=CC=C1
OC(CCN1CCCC1)(c2ccccc2)C3CCCCC3
http://www.opentox.org/api/1.1#ChemicalName
Ceruletide
http://www.opentox.org/api/1.1#IUPACName
(3S)-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanamido]-3-carboxypropanamido]-3-[4-(sulfooxy)phenyl]propanamido]-3-hydroxybutanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]propanoic acid
http://www.opentox.org/api/1.1#SMILES
[H][C@](NC(=O)[C@H](CC1=CC=C(OS(O)(=O)=O)C=C1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O
http://www.opentox.org/api/1.1#ChemicalName
Methylphenidate
d-methylphenidate HCl; Methyl phenidyl acetate; Methylphenidate HCl; Methylphenidate hydrochloride; Methylphenidatum [INN-Latin]; Methylphenidylacetate hydrochloride; Metilfenidat hydrochloride; Metilfenidato [INN-Spanish]; Metilfenidato [Italian]; Phenidylate
methylphenidate
http://www.opentox.org/api/1.1#IUPACName
methyl 2-phenyl-2-(piperidin-2-yl)acetate
http://www.opentox.org/api/1.1#SMILES
COC(=O)C(C1CCCCN1)C1=CC=CC=C1
O=C(OC)C(C1CCCCN1)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
Epirubicin
http://www.opentox.org/api/1.1#IUPACName
(8S,10S)-10-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
http://www.opentox.org/api/1.1#SMILES
COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O
http://www.opentox.org/api/1.1#CASRN
548-73-2
http://www.opentox.org/api/1.1#ChemicalName
Droperidol
droperidol
http://www.opentox.org/api/1.1#IUPACName
1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
http://www.opentox.org/api/1.1#SMILES
C1=CC=C4C(=C1)N(C3CCN(CCCC(=O)C2=CC=C(F)C=C2)CC=3)C(=O)N4
FC1=CC=C(C=C1)C(=O)CCCN1CCC(=CC1)N1C(=O)NC2=CC=CC=C12
Fc1ccc(cc1)C(=O)CCCN2CC=C(CC2)N3c4ccccc4NC3=O
http://www.opentox.org/api/1.1#ChemicalName
Chlormethylenecycline; Clomociclina [INN-Spanish]; Clomocyclinum [INN-Latin]
Clomocycline
http://www.opentox.org/api/1.1#IUPACName
(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(=O)NCO)=C1O)C(=O)C1=C(O)C=CC(Cl)=C1[C@@]3(C)O
http://www.opentox.org/api/1.1#CASRN
42924-53-8
http://www.opentox.org/api/1.1#ChemicalName
Nabumetona; Nabumetonum [INN-Latin]
Nabumetone
nabumetone
http://www.opentox.org/api/1.1#IUPACName
4-(6-methoxynaphthalen-2-yl)butan-2-one
http://www.opentox.org/api/1.1#SMILES
CC(=O)CCc1ccc2cc(ccc2c1)OC
COC1=CC2=C(C=C1)C=C(CCC(C)=O)C=C2
COc2ccc1cc(CCC(C)=O)ccc1c2
http://www.opentox.org/api/1.1#ChemicalName
Diclossacillina [DCIT]; Dicloxacilin; Dicloxacilina [INN-Spanish]; Dicloxacillin Sodium; Dicloxacilline [INN-French]; Dicloxacillinum [INN-Latin]; Dicloxacycline
Dicloxacillin
http://www.opentox.org/api/1.1#IUPACName
(2S,5R,6R)-6-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C(=NO1)C1=C(Cl)C=CC=C1Cl
http://www.opentox.org/api/1.1#ChemicalName
Nabilone
http://www.opentox.org/api/1.1#IUPACName
(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromen-9-one
http://www.opentox.org/api/1.1#SMILES
CCCCCCC(C)(C)C1=CC(O)=C2[C@@H]3CC(=O)CC[C@H]3C(C)(C)OC2=C1
http://www.opentox.org/api/1.1#ChemicalName
Fosinopril
Fosinopril Sodium
http://www.opentox.org/api/1.1#IUPACName
(2S,4S)-4-cyclohexyl-1-(2-{[2-methyl-1-(propanoyloxy)propoxy](4-phenylbutyl)phosphoryl}acetyl)pyrrolidine-2-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CCC(=O)OC(OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N1C[C@@H](C[C@H]1C(O)=O)C1CCCCC1)C(C)C
http://www.opentox.org/api/1.1#ChemicalName
Darifenacin
http://www.opentox.org/api/1.1#IUPACName
2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
http://www.opentox.org/api/1.1#SMILES
NC(=O)C([C@@H]1CCN(CCC2=CC3=C(OCC3)C=C2)C1)(C1=CC=CC=C1)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
Dihydrohydroxycodeinone; Dihydrohydroxycondeinone; Dihydrone; Oxicodona [INN-Spanish]; Oxycodone Hcl; Oxycodone Hydrochloride; Oxycodonum [INN-Latin]; PTI-821
Oxycodone
http://www.opentox.org/api/1.1#IUPACName
(1S,5R,13R,17S)-17-hydroxy-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one
http://www.opentox.org/api/1.1#SMILES
COC1=C2O[C@H]3C(=O)CC[C@@]4(O)[C@H]5CC(C=C1)=C2[C@@]34CCN5C
http://www.opentox.org/api/1.1#CASRN
155213-67-5
http://www.opentox.org/api/1.1#ChemicalName
Abbott 84538
Ritonavir
http://www.opentox.org/api/1.1#IUPACName
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]carbamate
N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N2-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide
http://www.opentox.org/api/1.1#SMILES
CC(C)[C@H](NC(=O)N(C)CC1=CSC(=N1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CN=CS1)CC1=CC=CC=C1
O=C(N[C@H](C(N[C@@H](CC3=CC=CC=C3)C[C@H](O)[C@@H](NC(OCC4=CN=CS4)=O)CC2=CC=CC=C2)=O)[C@@H](C)C)N(C)CC1=CSC(C(C)C)=N1
http://www.opentox.org/api/1.1#CASRN
152-02-3
http://www.opentox.org/api/1.1#ChemicalName
Levallorphan
http://www.opentox.org/api/1.1#IUPACName
(1R,9R,10R)-17-(prop-2-en-1-yl)-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-trien-4-ol
17-prop-2-en-1-ylmorphinan-3-ol
http://www.opentox.org/api/1.1#SMILES
OC1=CC2=C(C[C@@H]3[C@@H]4CCCC[C@]24CCN3CC=C)C=C1
[C@]243c1c(ccc(c1)O)C[C@H]([C@@H]2CCCC3)N(CC4)CC=C
http://www.opentox.org/api/1.1#ChemicalName
Tridihexethyl
tridihexethyl
http://www.opentox.org/api/1.1#IUPACName
(3-cyclohexyl-3-hydroxy-3-phenylpropyl)triethylazanium
http://www.opentox.org/api/1.1#SMILES
CC[N+](CC)(CC)CCC(O)(C1CCCCC1)C1=CC=CC=C1
OC(CC[N+](CC)(CC)CC)(c1ccccc1)C2CCCCC2
http://www.opentox.org/api/1.1#CASRN
87679-37-6
http://www.opentox.org/api/1.1#ChemicalName
Trandolapril
Trandolaprilum [Latin]
http://www.opentox.org/api/1.1#IUPACName
(2S,3aR,7aS)-1-(N-((1S)-1-((Ethyloxy)carbonyl)-3-phenylpropyl)-L-alanyl)octahydro-1H-indole-2-carboxylic Acid
(2S,3aR,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(O)=O
O=[C@](O)[C@H]2N(C([C@H](C)N[C@H]([C@@](OCC)=O)CCC3=CC=CC=C3)=O)[C@@]1([H])CCCC[C@@]([H])1C2
http://www.opentox.org/api/1.1#ChemicalName
Capsofungin
Caspofungin
http://www.opentox.org/api/1.1#IUPACName
N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-21-[(2-aminoethyl)amino]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-18-yl]-10,12-dimethyltetradecanamide
http://www.opentox.org/api/1.1#SMILES
CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@H](O)CCN
http://www.opentox.org/api/1.1#CASRN
57-22-7
http://www.opentox.org/api/1.1#ChemicalName
22-Oxovincaleukoblastine; Indole alkaloid; LCR; Leurocristine; VCR; VIN; Vincristina [DCIT]; Vincristine Sulfate; Vincristinum [INN-Latin]; Vincrstine; Vincrystine; Z-D-Val-Lys(Z)-OH
Vincristine
http://www.opentox.org/api/1.1#IUPACName
22-oxovincaleukoblastine
methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
http://www.opentox.org/api/1.1#SMILES
CC[C@]1(O)C[C@H]2CN(C1)CCC1=C(NC3=CC=CC=C13)[C@@](C2)(C(=O)OC)C1=C(OC)C=C2N(C=O)[C@@H]3[C@]4(CCN5CC=C[C@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)C2=C1
O=[C@@](OC)[C@](C(N3)=C4C2=C3C=CC=C2)([C@@]5=CC([C@]69[C@]8([H])[C@](C=CCN8CC9)(CC)[C@@H](OC(C)=O)[C@](O)([C@](OC)=O)[C@@]([H])6N7C=O)=C7C=C5OC)C[C@H]1C[C@](CC)(O)CN(CC4)C1
http://www.opentox.org/api/1.1#ChemicalName
Benazepril
Benazepril HCl; Benazepril Hydrochloride; Benazeprilum [Latin]
http://www.opentox.org/api/1.1#IUPACName
2-[(3S)-3-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid
http://www.opentox.org/api/1.1#SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCC2=CC=CC=C2N(CC(O)=O)C1=O
http://www.opentox.org/api/1.1#CASRN
220620-09-7
http://www.opentox.org/api/1.1#ChemicalName
GAR-936; GAR-936,Tigecycline; WAY-GAR-936
Tigecycline
http://www.opentox.org/api/1.1#IUPACName
(4S,4aS,5aR,12aS)-9-[(N-tert-butylglycyl)amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
(4S,4aS,5aR,12aS)-9-[2-(tert-butylamino)acetamido]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=C(NC(=O)CNC(C)(C)C)C(O)=C4C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)N(C)C
O=C(N)C(C3=O)=C(O)[C@@H](N(C)C)[C@]4([H])C[C@](C2=C(O)[C@]34O)([H])CC1=C(C2=O)C(O)=C(NC(CNC(C)(C)C)=O)C=C1N(C)C
http://www.opentox.org/api/1.1#ChemicalName
Doxapram
http://www.opentox.org/api/1.1#IUPACName
1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one
http://www.opentox.org/api/1.1#SMILES
CCN1CC(CCN2CCOCC2)C(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1
http://www.opentox.org/api/1.1#CASRN
75847-73-3
http://www.opentox.org/api/1.1#ChemicalName
Enalapril
Enalapril Maleate; Enalaprila [INN-Spanish]; Enalaprilat; Enalaprilum [INN-Latin]
http://www.opentox.org/api/1.1#IUPACName
(2S)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]pyrrolidine-2-carboxylic acid
N-{(1S)-1-[(ethyloxy)carbonyl]-3-phenylpropyl}-L-alanyl-L-proline
http://www.opentox.org/api/1.1#SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O
O=C(O)[C@@H]2CCCN2C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)OCC
http://www.opentox.org/api/1.1#CASRN
79-57-2
http://www.opentox.org/api/1.1#ChemicalName
Oxytetracycline
http://www.opentox.org/api/1.1#IUPACName
(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(C=CC=C1O)[C@@]3(C)O
CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(O)C=CC=C1[C@@]3(C)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
O=C1[C@](C(O)=C2[C@@]3([H])[C@@](O)(C)C4=C(C(O)=CC=C4)C2=O)(O)[C@]([C@H]3O)([H])[C@H](N(C)C)C(O)=C1C(N)=O
[H][C@]12C(C(=O)C3=C(C=CC=C3O)[C@@]1(C)O)=C(O)[C@]4(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]4([H])[C@H]2O
http://www.opentox.org/api/1.1#ChemicalName
Labetalol
Labetalol HCL; Labetalol hydrochloride; Labetalolum [INN-Latin]; Labetolol
labetalol
http://www.opentox.org/api/1.1#IUPACName
2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
http://www.opentox.org/api/1.1#SMILES
CC(CCC1=CC=CC=C1)NCC(O)C1=CC(C(N)=O)=C(O)C=C1
O=C(N)c1cc(ccc1O)C(O)CNC(C)CCc2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
6-Demethyl-7-chlorotetracycline; 6-Demethylchlorotetracycline; 7-Chloro-6-demethyltetracycline; Demeclociclina [INN-Spanish]; Demeclocycline [USAN:BAN]; Demeclocyclinum [INN-Latin]; Demethylchlorotetracycline; Demethylchlortetracyclin; Demethylchlortetracycline; Demethylchlortetracyclinum; DMCT; Methylchlorotetracycline; Tri-demethylchlortetracycline
Demeclocycline
http://www.opentox.org/api/1.1#IUPACName
(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C([C@H]2O)C(Cl)=CC=C1O
http://www.opentox.org/api/1.1#ChemicalName
Butoconazol [INN-Spanish]; Butoconazole nitrate; Butoconazolum [INN-Latin]
Butoconazole
http://www.opentox.org/api/1.1#IUPACName
1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl]-1H-imidazole
http://www.opentox.org/api/1.1#SMILES
ClC1=CC=C(CCC(CN2C=CN=C2)SC2=C(Cl)C=CC=C2Cl)C=C1
http://www.opentox.org/api/1.1#ChemicalName
LY231514; Pemetrexed Disodium
Pemetrexed
http://www.opentox.org/api/1.1#IUPACName
(2R)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioic acid
http://www.opentox.org/api/1.1#SMILES
NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C(=O)N[C@H](CCC(O)=O)C(O)=O)N1
http://www.opentox.org/api/1.1#ChemicalName
Gonadorelin
http://www.opentox.org/api/1.1#IUPACName
N-(1-{2-[(carbamoylmethyl)carbamoyl]pyrrolidin-1-yl}-5-[(diaminomethylidene)amino]-1-oxopentan-2-yl)-2-{2-[2-(3-hydroxy-2-{2-[3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidin-2-yl)formamido]propanamido]-3-(1H-indol-3-yl)propanamido}propanamido)-3-(4-hydroxyphenyl)propanamido]acetamido}-4-methylpentanamide
http://www.opentox.org/api/1.1#SMILES
CC(C)CC(NC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(N)=O
http://www.opentox.org/api/1.1#ChemicalName
D-Propoxyphene; Dextropropoxyphene; Dextropropoxyphene-M; Dextroproxifeno; Propoxyphene HCl
Propoxyphene
http://www.opentox.org/api/1.1#IUPACName
(3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl propanoate
http://www.opentox.org/api/1.1#SMILES
CCC(=O)OC(CC1=CC=CC=C1)([C@H](C)CN(C)C)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
L-pentazocine; Pentazocaine; Pentazocin
Pentazocine
http://www.opentox.org/api/1.1#IUPACName
(1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-en-1-yl)-10-azatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-4-ol
http://www.opentox.org/api/1.1#SMILES
C[C@H]1[C@H]2CC3=CC=C(O)C=C3[C@]1(C)CCN2CC=C(C)C
http://www.opentox.org/api/1.1#ChemicalName
Latanoprost
http://www.opentox.org/api/1.1#IUPACName
propan-2-yl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
http://www.opentox.org/api/1.1#SMILES
CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCC1=CC=CC=C1
http://www.opentox.org/api/1.1#CASRN
53-16-7
http://www.opentox.org/api/1.1#ChemicalName
Estrone
http://www.opentox.org/api/1.1#IUPACName
(1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one
3-hydroxyestra-1,3,5(10)-trien-17-one
http://www.opentox.org/api/1.1#SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O
Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)c4cc3
[C@]12([C@]([C@@]3(CCC4=C([C@@](CC1)3[H])C=CC(O)=C4)[H])(CCC2=O)[H])C
http://www.opentox.org/api/1.1#CASRN
52-53-9
http://www.opentox.org/api/1.1#ChemicalName
Verapamil
Verapamil [Usan:Ban:Inn]; Verapamil HCl; Verapamilo [INN-Spanish]; Verapamilum [INN-Latin]
http://www.opentox.org/api/1.1#IUPACName
2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
http://www.opentox.org/api/1.1#SMILES
COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1
N#CC(CCCN(C)CCC2=CC=C(OC)C(OC)=C2)(C(C)C)C1=CC=C(OC)C(OC)=C1
http://www.opentox.org/api/1.1#ChemicalName
Nafarelin
Nafarelin acetate
http://www.opentox.org/api/1.1#IUPACName
N-(5-carbamimidamido-1-{2-[(carbamoylmethyl)carbamoyl]pyrrolidin-1-yl}-1-oxopentan-2-yl)-2-{2-[2-(3-hydroxy-2-{2-[3-(1H-imidazol-4-yl)-2-[(5-oxopyrrolidin-2-yl)formamido]propanamido]-3-(1H-indol-3-yl)propanamido}propanamido)-3-(4-hydroxyphenyl)propanamido]-3-(naphthalen-2-yl)propanamido}-4-methylpentanamide
http://www.opentox.org/api/1.1#SMILES
CC(C)CC(NC(=O)C(CC1=CC2=CC=CC=C2C=C1)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CNC=N1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCNC(N)=N)C(=O)N1CCCC1C(=O)NCC(N)=O
http://www.opentox.org/api/1.1#CASRN
357-70-0
http://www.opentox.org/api/1.1#ChemicalName
(-)-Galanthamine; Galanthamine; Galanthamine hydrobromide
Galantamine
Galanthamine
http://www.opentox.org/api/1.1#IUPACName
(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0^{1,12}.0^{6,17}]heptadeca-6,8,10(17),15-tetraen-14-ol
galanthamine
http://www.opentox.org/api/1.1#SMILES
COC1=C2O[C@H]3C[C@@H](O)C=C[C@]33CCN(C)CC(C=C1)=C23
O[C@H]1C=C[C@@]42CCN(C)Cc3ccc(OC)c(O[C@H]2C1)c34
http://www.opentox.org/api/1.1#ChemicalName
Warfarin
Warfarin sodium
warfarin
http://www.opentox.org/api/1.1#IUPACName
4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
http://www.opentox.org/api/1.1#SMILES
CC(=O)CC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2
CC(=O)CC(C\1=C(/O)c2ccccc2OC/1=O)c3ccccc3
CC(=O)CC(c1ccccc1)c3c(O)c2ccccc2oc3=O
http://www.opentox.org/api/1.1#ChemicalName
Moexipril
Moexipril HCl; Moexipril hydrochloride; Moexiprilum [INN-Latin]
http://www.opentox.org/api/1.1#IUPACName
(3S)-2-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC(OC)=C(OC)C=C2C[C@H]1C(O)=O
http://www.opentox.org/api/1.1#CASRN
20830-81-3
http://www.opentox.org/api/1.1#ChemicalName
Daunorubicin
http://www.opentox.org/api/1.1#IUPACName
(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
(8S,10S)-8-acetyl-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
http://www.opentox.org/api/1.1#SMILES
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
COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(C)=O)C(O)=C1C2=O
http://www.opentox.org/api/1.1#CASRN
27848-84-6
http://www.opentox.org/api/1.1#ChemicalName
Nicergoline
http://www.opentox.org/api/1.1#IUPACName
[(2S,4R,7R)-2-methoxy-6,11-dimethyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraen-4-yl]methyl 5-bromopyridine-3-carboxylate
[(8b)-10-methoxy-1,6-dimethylergolin-8-yl]methyl 5-bromopyridine-3-carboxylate
http://www.opentox.org/api/1.1#SMILES
Brc1cc(cnc1)C(=O)OC[C@@H]3C[C@]4(OC)c5cccc2c5c(cn2C)C[C@H]4N(C)C3
CO[C@]12C[C@@H](COC(=O)C3=CC(Br)=CN=C3)CN(C)[C@@H]1CC1=CN(C)C3=CC=CC2=C13
http://www.opentox.org/api/1.1#ChemicalName
AMP; AMV; VX-478
Amprenavir
http://www.opentox.org/api/1.1#IUPACName
(3S)-oxolan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)(4-aminobenzene)sulfonamido]-1-phenylbutan-2-yl]carbamate
http://www.opentox.org/api/1.1#SMILES
CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1
http://www.opentox.org/api/1.1#CASRN
16590-41-3
http://www.opentox.org/api/1.1#ChemicalName
Naltrexone
PTI-555
http://www.opentox.org/api/1.1#IUPACName
(1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one
(5alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-one
http://www.opentox.org/api/1.1#SMILES
OC1=C2O[C@H]3C(=O)CC[C@@]4(O)[C@H]5CC(C=C1)=C2[C@@]34CCN5CC1CC1
O[C@@]1(CCC4=O)[C@@]([C@H]4OC2=C6O)3C2=C(C=C6)C[C@@](N(CC5CC5)CC3)1[H]
http://www.opentox.org/api/1.1#ChemicalName
Lisinopril
http://www.opentox.org/api/1.1#IUPACName
(2S)-1-[(2S)-6-amino-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}hexanoyl]pyrrolidine-2-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
NCCCC[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
http://www.opentox.org/api/1.1#CASRN
60-54-8
http://www.opentox.org/api/1.1#ChemicalName
Tetracycline
Tetracycline HCl
http://www.opentox.org/api/1.1#IUPACName
(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O
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
[C@]43(\C(=C2\C(c1c(O)cccc1[C@]([C@H]2C[C@H]3[C@@H](/C(=C(\C4=O)C(=O)N)O)N(C)C)(O)C)=O)O)O
http://www.opentox.org/api/1.1#ChemicalName
Benzquinamide
benzquinamide
http://www.opentox.org/api/1.1#IUPACName
3-(diethylcarbamoyl)-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl acetate
http://www.opentox.org/api/1.1#SMILES
CCN(CC)C(=O)C1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1OC(C)=O
CCN(CC)C(=O)C2CN3CCc1cc(OC)c(OC)cc1C3CC2OC(C)=O
http://www.opentox.org/api/1.1#ChemicalName
(-)-Etoposide; Etoposidum [INN-Latin]; trans-Etoposide
Etoposide
http://www.opentox.org/api/1.1#IUPACName
(10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-12-one
http://www.opentox.org/api/1.1#SMILES
COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2=CC3=C(OCO3)C=C12
http://www.opentox.org/api/1.1#ChemicalName
Beperiden; Biperiden [Usan:Ban:Inn:Jan]; Biperiden Hydrochloride; Biperidene [INN-French]; Biperidene Hydrochloride; Biperideno [INN-Spanish]; Biperidenum [INN-Latin]; Biperidine; Biperidine Hydrochloride
Biperiden
biperiden
http://www.opentox.org/api/1.1#IUPACName
1-{bicyclo[2.2.1]hept-5-en-2-yl}-1-phenyl-3-(piperidin-1-yl)propan-1-ol
http://www.opentox.org/api/1.1#SMILES
OC(CCN1CCCCC1)(C1CC2CC1C=C2)C1=CC=CC=C1
OC(CCN1CCCCC1)(c2ccccc2)C4CC3C=CC4C3
http://www.opentox.org/api/1.1#CASRN
84371-65-3
http://www.opentox.org/api/1.1#ChemicalName
Mifepriston; Mifepristona [Spanish]; Mifepristonum [Latin]; RU486
Mifepristone
http://www.opentox.org/api/1.1#IUPACName
(10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one
(11beta,17beta)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-prop-1-yn-1-ylestra-4,9-dien-3-one
http://www.opentox.org/api/1.1#SMILES
C/23=C1/C(=C\C(CC1)=O)CC[C@H]\2[C@H]5[C@](C[C@@H]3c4ccc(cc4)N(C)C)([C@@](C#CC)(O)CC5)C
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)C1=CC=C(C=C1)N(C)C
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
http://www.opentox.org/api/1.1#CASRN
34368-04-2
http://www.opentox.org/api/1.1#ChemicalName
Dobutamine
http://www.opentox.org/api/1.1#IUPACName
4-(2-{[3-(4-hydroxyphenyl)-1-methylpropyl]amino}ethyl)benzene-1,2-diol
4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol
http://www.opentox.org/api/1.1#SMILES
C2(O)=C(O)C=CC(CCNC(C)CCC1=CC=C(O)C=C1)=C2
CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
Donepezil
donepezil
http://www.opentox.org/api/1.1#IUPACName
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
http://www.opentox.org/api/1.1#SMILES
COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1
COc1cc2C(=O)C(Cc2cc1OC)CC4CCN(Cc3ccccc3)CC4
http://www.opentox.org/api/1.1#CASRN
20594-83-6
http://www.opentox.org/api/1.1#ChemicalName
Nalbuphine
http://www.opentox.org/api/1.1#IUPACName
(1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-triene-10,14,17-triol
(5alpha,6alpha)-17-(cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol
http://www.opentox.org/api/1.1#SMILES
O[C@@]1(CC[C@@H]4O)[C@]2([C@H]4OC3=C6O)C3=C(C=C6)C[C@H]1N(CC5CCC5)CC2
O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5
http://www.opentox.org/api/1.1#ChemicalName
Dea No. 9220; Dea No. 9733; Levorfanol [INN-Spanish]; Levorfanolo [Dcit]; Levorphan; Levorphanal; Levorphanol Dl-Form; Levorphanolum [INN-Latin]; Methorfinan [Czech]; Methorphinan; Racemethorphanum; Racemorfano [INN-Spanish]
Levorphanol
http://www.opentox.org/api/1.1#IUPACName
(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-trien-4-ol
http://www.opentox.org/api/1.1#SMILES
CN1CC[C@]23CCCC[C@H]2[C@H]1CC1=C3C=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
Flupenthixol
Flupenthixole
http://www.opentox.org/api/1.1#IUPACName
2-(4-{3-[2-(trifluoromethyl)-9,9a-dihydro-4aH-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethan-1-ol
http://www.opentox.org/api/1.1#SMILES
[H]C(CCN1CCN(CCO)CC1)=C1C2C=C(C=CC2SC2=C1C=CC=C2)C(F)(F)F
http://www.opentox.org/api/1.1#ChemicalName
Quinapril
Quinapril HCl; Quinapril Hydrochloride; Quinaprilum [Latin]
http://www.opentox.org/api/1.1#IUPACName
(3S)-2-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC=CC=C2C[C@H]1C(O)=O
http://www.opentox.org/api/1.1#CASRN
58-54-8
http://www.opentox.org/api/1.1#ChemicalName
Etacrinic acid; Etacrynic acid; Etakrinic acid; Ethacryinic Acid; Ethacrynate; Methylenebutyrylphenoxyacetic acid
Ethacrynic acid
ethacrynic acid
http://www.opentox.org/api/1.1#IUPACName
2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid
[2,3-dichloro-4-(2-methylenebutanoyl)phenoxy]acetic acid
http://www.opentox.org/api/1.1#SMILES
C(=O)(C(=C)CC)c1ccc(OCC(=O)O)c(Cl)c1Cl
CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1
Clc1c(C(=O)\C(=C)CC)ccc(OCC(=O)O)c1Cl
Clc1c(ccc(OCC(=O)O)c1Cl)C(=O)C(=C)CC
http://www.opentox.org/api/1.1#ChemicalName
AGN 192024
Bimatoprost
http://www.opentox.org/api/1.1#IUPACName
(5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl]-N-ethylhept-5-enamide
http://www.opentox.org/api/1.1#SMILES
CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCC1=CC=CC=C1
http://www.opentox.org/api/1.1#CASRN
135062-02-1
http://www.opentox.org/api/1.1#ChemicalName
AG-EE 388 ZW; AG-EE 623 ZW; Repaglinida [INN-Spanish]; Repaglinidum [INN-Latin]
Repaglinide
http://www.opentox.org/api/1.1#IUPACName
2-ethoxy-4-(2-{[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino}-2-oxoethyl)benzoic acid
2-ethoxy-4-({[(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]carbamoyl}methyl)benzoic acid
http://www.opentox.org/api/1.1#SMILES
CCOC1=C(C=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=C1)C(O)=O
O=C(CC3=CC(OCC)=C(C(O)=O)C=C3)N[C@@H](CC(C)C)C1=C(N2CCCCC2)C=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
Buprenophine; Buprenorfina [INN-Spanish]; Buprenorphine Hcl; Buprenorphinum [INN-Latin]
Buprenorphine
http://www.opentox.org/api/1.1#IUPACName
(1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7,9,11-trien-11-ol
http://www.opentox.org/api/1.1#SMILES
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4
http://www.opentox.org/api/1.1#CASRN
141505-33-1
http://www.opentox.org/api/1.1#ChemicalName
Levosimedan
Levosimendan
http://www.opentox.org/api/1.1#IUPACName
(2-{4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}hydrazinylidene)propanedinitrile
1-cyano-N-{4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}methanecarbohydrazonoyl cyanide
http://www.opentox.org/api/1.1#SMILES
C[C@@H]1CC(=O)NN=C1C1=CC=C(NN=C(C#N)C#N)C=C1
O=C1NN=C(C2=CC=C(C=C2)N/N=C(C#N)/C#N)[C@@H](C1)C
http://www.opentox.org/api/1.1#ChemicalName
Metacycline; Methacyclin
Methacycline
http://www.opentox.org/api/1.1#IUPACName
(4S,4aR,5S,5aR,12aS)-4-(dimethylamino)-5,10,12,12a-tetrahydroxy-6-methylidene-1,3,11-trioxo-1,2,3,4,4a,5,5a,6,11,12a-decahydrotetracene-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)C4=C(C(O)=CC=C4)C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)C1=O
http://www.opentox.org/api/1.1#ChemicalName
TPV
Tipranavir
http://www.opentox.org/api/1.1#IUPACName
N-{3-[(1R)-1-[(2R)-6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl]phenyl}-5-(trifluoromethyl)pyridine-2-sulfonamide
http://www.opentox.org/api/1.1#SMILES
CCC[C@@]1(CCC2=CC=CC=C2)CC(=O)C([C@H](CC)C2=CC(NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)=CC=C2)=C(O)O1
http://www.opentox.org/api/1.1#CASRN
10262-69-8
http://www.opentox.org/api/1.1#ChemicalName
Maprotilina [INN-Spanish]; Maprotiline Hcl; Maprotilinum [INN-Latin]; Maprotylina [Polish]
Maprotiline
maprotiline
http://www.opentox.org/api/1.1#IUPACName
3-(9,10-ethanoanthracen-9(10H)-yl)-N-methylpropan-1-amine
methyl(3-{tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2(7),3,5,9(14),10,12-hexaen-1-yl}propyl)amine
http://www.opentox.org/api/1.1#SMILES
CNCCCC1(C3=C2C=CC=C3)C(C=CC=C4)=C4C2CC1
CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21
CNCCCC13CCC(c2ccccc12)c4ccccc34
http://www.opentox.org/api/1.1#CASRN
89365-50-4
http://www.opentox.org/api/1.1#ChemicalName
Salmeterol
Salmeterolum [Latin]
salmeterol
http://www.opentox.org/api/1.1#IUPACName
2-(hydroxymethyl)-4-[1-hydroxy-2-({6-[(4-phenylbutyl)oxy]hexyl}amino)ethyl]phenol
4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)-2-(hydroxymethyl)phenol
http://www.opentox.org/api/1.1#SMILES
C2(CO)=C(O)C=CC(C(O)CNCCCCCCOCCCCC1=CC=CC=C1)=C2
OCC1=C(O)C=CC(=C1)C(O)CNCCCCCCOCCCCC1=CC=CC=C1
OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
Cycrimine
Cycrimine hydrochloride
http://www.opentox.org/api/1.1#IUPACName
1-cyclopentyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol
http://www.opentox.org/api/1.1#SMILES
OC(CCN1CCCCC1)(C1CCCC1)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
Fulvestrant
ICI 182,780
http://www.opentox.org/api/1.1#IUPACName
(1S,9R,11S,14S,15S)-15-methyl-9-{9-[(4,4,5,5,5-pentafluoropentane)sulfinyl]nonyl}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol
http://www.opentox.org/api/1.1#SMILES
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])C2[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC2=CC(O)=CC=C12
http://www.opentox.org/api/1.1#ChemicalName
Carboxyterfenadine; Fexofenadine hydrochloride; Fexofendine; Terfenadine acid metabolite; Terfenadine carboxylate; Terfenadine-COOH
Fexofenadine
fexofenadine
http://www.opentox.org/api/1.1#IUPACName
2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid
http://www.opentox.org/api/1.1#SMILES
CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4
http://www.opentox.org/api/1.1#ChemicalName
Dihydrocodeinone; Hidrocodona [INN-Spanish]; Hydrocodon; Hydrocodonum [INN-Latin]; Hydrocone; Hydroconum; Idrocodone [Dcit]
Hydrocodone
http://www.opentox.org/api/1.1#IUPACName
(1S,5R,13R,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one
http://www.opentox.org/api/1.1#SMILES
COC1=C2O[C@H]3C(=O)CC[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5C
http://www.opentox.org/api/1.1#CASRN
163222-33-1
http://www.opentox.org/api/1.1#ChemicalName
Ezetimibe
http://www.opentox.org/api/1.1#IUPACName
(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
http://www.opentox.org/api/1.1#SMILES
O=C1[C@H](CC[C@@H](C4=CC=C(F)C=C4)O)[C@@H]([C@]3=CC=C(O)C=C3)N1C2=CC=C(F)C=C2
O[C@@H](CC[C@@H]1[C@H](N(C1=O)C1=CC=C(F)C=C1)C1=CC=C(O)C=C1)C1=CC=C(F)C=C1
http://www.opentox.org/api/1.1#ChemicalName
Ciclopentolato [INN-Spanish]; Cyclopentoiate; Cyclopentolate HCL; Cyclopentolatum [INN-Latin]; Cyclopentylate; Diopentolate
Cyclopentolate
http://www.opentox.org/api/1.1#IUPACName
2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate
http://www.opentox.org/api/1.1#SMILES
CN(C)CCOC(=O)C(C1=CC=CC=C1)C1(O)CCCC1
http://www.opentox.org/api/1.1#ChemicalName
Ramelteon
TAK-375
http://www.opentox.org/api/1.1#IUPACName
N-{2-[(8S)-1H,2H,6H,7H,8H-indeno[5,4-b]furan-8-yl]ethyl}propanamide
http://www.opentox.org/api/1.1#SMILES
CCC(=O)NCC[C@@H]1CCC2=C1C1=C(OCC1)C=C2
http://www.opentox.org/api/1.1#ChemicalName
Glycopyrrolate
Glycopyrronium bromide
glycopyrrolate
http://www.opentox.org/api/1.1#IUPACName
3-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]-1,1-dimethylpyrrolidin-1-ium
http://www.opentox.org/api/1.1#SMILES
C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1
C[N+]3(C)CCC(OC(=O)C(O)(c1ccccc1)C2CCCC2)C3
http://www.opentox.org/api/1.1#CASRN
10118-90-8
http://www.opentox.org/api/1.1#ChemicalName
Minocycline
http://www.opentox.org/api/1.1#IUPACName
(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
O=C(C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@]([H])1C[C@@]([H])2CC4=C3C(O)=CC=C4N(C)C)[C@@]1(O)C(O)=C2C3=O
[H][C@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2
http://www.opentox.org/api/1.1#ChemicalName
2-Methyl-3-phythyl-1,4-naphthochinon; 2', 3'-trans-Vitamin K1; 3-Phytylmenadione; alpha-Phylloquinone; Antihemorrhagic vitamin; Phyllochinon; Phylloquinone; Phythyl-menadion (GERMAN); Phytomenadione; Phytylmenadione; Vitamin K; Vitamin K1
Phytonadione
http://www.opentox.org/api/1.1#IUPACName
2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione
http://www.opentox.org/api/1.1#SMILES
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O
http://www.opentox.org/api/1.1#ChemicalName
Ergoloid mesylate
http://www.opentox.org/api/1.1#IUPACName
(2R,4R,7R)-N-[(1S,2S,4R,7S)-2-hydroxy-7-methyl-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; methanesulfonic acid
http://www.opentox.org/api/1.1#SMILES
CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@H](C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C
http://www.opentox.org/api/1.1#CASRN
5633-20-5
http://www.opentox.org/api/1.1#ChemicalName
Oxibutinina [INN-Spanish]; Oxibutyninum; Oxybutinin; Oxybutynin Base; Oxybutynin Chloride; Oxybutynin Hydrochloride; oxybutynin topical gel; Oxybutynine [INN-French]; Oxybutyninum [INN-Latin]; transdermal patch
Oxybutynin
oxybutynin
http://www.opentox.org/api/1.1#IUPACName
4-(diethylamino)but-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate
http://www.opentox.org/api/1.1#SMILES
CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1
OC(C(=O)OCC#CCN(CC)CC)(c1ccccc1)C2CCCCC2
http://www.opentox.org/api/1.1#CASRN
198904-31-3
http://www.opentox.org/api/1.1#ChemicalName
Atazanavir
Atazanavir sulfate; ATV; ATZ; BMS-232632
http://www.opentox.org/api/1.1#IUPACName
methyl N-[(1S)-1-{N'-[(2S,3S)-2-hydroxy-3-[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethylbutanamido]-4-phenylbutyl]-N'-{[4-(pyridin-2-yl)phenyl]methyl}hydrazinecarbonyl}-2,2-dimethylpropyl]carbamate
methyl {(5S,10S,11S,14S)-11-benzyl-5-tert-butyl-10-hydroxy-15,15-dimethyl-3,6,13-trioxo-8-[4-(pyridin-2-yl)benzyl]-2-oxa-4,7,8,12-tetraazahexadecan-14-yl}carbamate
http://www.opentox.org/api/1.1#SMILES
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
COC(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC1=CC=C(C=C1)C1=CC=CC=N1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
http://www.opentox.org/api/1.1#CASRN
21738-42-1
http://www.opentox.org/api/1.1#ChemicalName
Oxamniquine
oxamniquine
http://www.opentox.org/api/1.1#IUPACName
(2-{[(1-methylethyl)amino]methyl}-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl)methanol
(7-nitro-2-{[(propan-2-yl)amino]methyl}-1,2,3,4-tetrahydroquinolin-6-yl)methanol
http://www.opentox.org/api/1.1#SMILES
C1(N(=O)=O)=C(CO)C=C2C(=C1)NC(CNC(C)C)CC2
CC(C)NCC1CCC2=CC(CO)=C(C=C2N1)[N+]([O-])=O
[O-][N+](=O)c1cc2NC(CCc2cc1CO)CNC(C)C
http://www.opentox.org/api/1.1#ChemicalName
Arbutamine
http://www.opentox.org/api/1.1#IUPACName
4-[(1R)-1-hydroxy-2-{[4-(4-hydroxyphenyl)butyl]amino}ethyl]benzene-1,2-diol
http://www.opentox.org/api/1.1#SMILES
O[C@@H](CNCCCCC1=CC=C(O)C=C1)C1=CC(O)=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
Sertralina [Spanish]; Sertraline Hydrochloride; Sertralinum [Latin]
Sertraline
http://www.opentox.org/api/1.1#IUPACName
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
http://www.opentox.org/api/1.1#SMILES
CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12
http://www.opentox.org/api/1.1#ChemicalName
Sibutramina [Spanish]; Sibutraminum [Latin]
Sibutramine
sibutramine
http://www.opentox.org/api/1.1#IUPACName
{1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl}dimethylamine
http://www.opentox.org/api/1.1#SMILES
CC(C)CC(N(C)C)C1(CCC1)C1=CC=C(Cl)C=C1
CN(C)C(CC(C)C)C1(CCC1)c2ccc(Cl)cc2
http://www.opentox.org/api/1.1#ChemicalName
Levocabastin; Levocabastina [Spanish]; Levocabastinum [Latin]
Levocabastine
http://www.opentox.org/api/1.1#IUPACName
(3S,4R)-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
C[C@@H]1CN(CC[C@]1(C(O)=O)C1=CC=CC=C1)C1CCC(CC1)(C#N)C1=CC=C(F)C=C1
http://www.opentox.org/api/1.1#CASRN
95233-18-4
http://www.opentox.org/api/1.1#ChemicalName
Atovaquone
http://www.opentox.org/api/1.1#IUPACName
2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione
2-hydroxy-3-[(1r,4r)-4-(4-chlorophenyl)cyclohexyl]-1,4-dihydronaphthalene-1,4-dione
http://www.opentox.org/api/1.1#SMILES
OC1=C([C@H]2CC[C@@H](CC2)C2=CC=C(Cl)C=C2)C(=O)C2=CC=CC=C2C1=O
OC=2C(=O)c1ccccc1C(=O)C=2[C@@H]3CC[C@H](CC3)c4ccc(Cl)cc4
http://www.opentox.org/api/1.1#ChemicalName
FK-463
Micafungin
http://www.opentox.org/api/1.1#IUPACName
{5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-2-carbamoyl-1-hydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[(4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzene)amido]-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl}oxidanesulfonic acid
http://www.opentox.org/api/1.1#SMILES
CCCCCOC1=CC=C(C=C1)C1=CC(=NO1)C1=CC=C(C=C1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC(OS(O)(=O)=O)=C(O)C=C1)[C@H](O)CC(N)=O
http://www.opentox.org/api/1.1#ChemicalName
Candicidin
http://www.opentox.org/api/1.1#IUPACName
(19Z,21Z,23Z,25Z,27Z,29Z,31Z)-33-{[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-17-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-1,3,5,7,37-pentahydroxy-18-methyl-9,13,15-trioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CC(CC(C)C1OC(=O)CC(=O)CCCC(=O)CC(O)CC(O)CC(O)CC2(O)CC(O)C(C(CC(OC3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C/C=C\C=C/C=C\C=C/C=C\C=C/C1C)O2)C(O)=O)C(O)CC(=O)C1=CC=C(N)C=C1
http://www.opentox.org/api/1.1#ChemicalName
Escitalopram
Escitalopram Oxalate
http://www.opentox.org/api/1.1#IUPACName
(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
http://www.opentox.org/api/1.1#SMILES
CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1
http://www.opentox.org/api/1.1#ChemicalName
Idarubicin
Idarubicin Hcl; Idarubicin Hydrochloride; Idarubicina [INN-Spanish]; Idarubicine [INN-French]; Idarubicinum [INN-Latin]
http://www.opentox.org/api/1.1#IUPACName
(7S,9S)-9-acetyl-7-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
http://www.opentox.org/api/1.1#SMILES
C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O
http://www.opentox.org/api/1.1#CASRN
518-28-5
http://www.opentox.org/api/1.1#ChemicalName
Podofilox
Podophyllinic acid lactone
http://www.opentox.org/api/1.1#IUPACName
(10R,11R,15R,16R)-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-12-one
(5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
http://www.opentox.org/api/1.1#SMILES
COC1=CC(=CC(OC)=C1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)C2=CC3=C(OCO3)C=C12
COc1cc(cc(OC)c1OC)[C@@H]3c2cc5OCOc5cc2[C@H](O)[C@H]4COC(=O)[C@H]34
http://www.opentox.org/api/1.1#CASRN
465-65-6
http://www.opentox.org/api/1.1#ChemicalName
EN 1530 Base; L-Naloxone; N-Allylnoroxymorphone; Nalossone [Dcit]; Naloxona [INN-Spanish]; Naloxone HCl; Naloxonum [INN-Latin]
Naloxone
http://www.opentox.org/api/1.1#IUPACName
(1S,5R,13R,17S)-10,17-dihydroxy-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one
(5alpha)-3,14-dihydroxy-17-prop-2-en-1-yl-4,5-epoxymorphinan-6-one
http://www.opentox.org/api/1.1#SMILES
OC1=C2O[C@H]3C(=O)CC[C@@]4(O)[C@H]5CC(C=C1)=C2[C@@]34CCN5CC=C
O[C@@]1(CCC4=O)[C@@]([C@H]4OC2=C5O)(CC3)C2=C(C=C5)C[C@H]1N3CC=C
http://www.opentox.org/api/1.1#ChemicalName
Pergolida [INN-Spanish]; Pergolide Mesylate; Pergolide Methanesulfonate; Pergolidum [INN-Latin]
Pergolide
http://www.opentox.org/api/1.1#IUPACName
(2R,4R,7R)-4-[(methylsulfanyl)methyl]-6-propyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene
http://www.opentox.org/api/1.1#SMILES
CCCN1C[C@H](CSC)C[C@H]2[C@H]1CC1=CNC3=CC=CC2=C13
http://www.opentox.org/api/1.1#ChemicalName
Iophendylate
http://www.opentox.org/api/1.1#IUPACName
ethyl 10-(2-iodophenyl)undecanoate
http://www.opentox.org/api/1.1#SMILES
CCOC(=O)CCCCCCCCC(C)C1=CC=CC=C1I
http://www.opentox.org/api/1.1#ChemicalName
14-Hydroxydihydromorphinone; Dihydrohydroxymorphinone; Dihydroxymorphinone; EN3202; Oximorphonum; Oxymorphine
Oxymorphone
http://www.opentox.org/api/1.1#IUPACName
(1S,5R,13R,17S)-10,17-dihydroxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one
http://www.opentox.org/api/1.1#SMILES
CN1CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@]2(O)CCC4=O)=C35
http://www.opentox.org/api/1.1#CASRN
2998-57-4
http://www.opentox.org/api/1.1#ChemicalName
Estramustin Sodium Phosphate; Estramustina [INN-Spanish]; Estramustine Sodium Phosphate; Estramustinum [INN-Latin]
Estramustine
http://www.opentox.org/api/1.1#IUPACName
(17beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl bis(2-chloroethyl)carbamate
(1S,10R,11S,14S,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl N,N-bis(2-chloroethyl)carbamate
http://www.opentox.org/api/1.1#SMILES
O=C(N(CCCl)CCCl)OC4=CC2=C(C=C4)[C@]1([H])[C@](CC2)([H])[C@@](CC[C@@H]3O)([H])[C@]3(C)CC1
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H]
http://www.opentox.org/api/1.1#CASRN
42200-33-9
http://www.opentox.org/api/1.1#ChemicalName
Nadolol
http://www.opentox.org/api/1.1#IUPACName
(2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)NCC(O)COC1=CC=CC2=C1C[C@H](O)[C@H](O)C2
CC(C)(C)NCC(O)COc2cccc1C[C@@H](O)[C@@H](O)Cc12
http://www.opentox.org/api/1.1#ChemicalName
Dezocina [INN-Spanish]; Dezocinum [INN-Latin]
Dezocine
http://www.opentox.org/api/1.1#IUPACName
(1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.0^{2,7}]pentadeca-2,4,6-trien-4-ol
http://www.opentox.org/api/1.1#SMILES
[H][C@@]12CC3=CC=C(O)C=C3[C@@](C)(CCCCC1)[C@H]2N
http://www.opentox.org/api/1.1#ChemicalName
Levobunolol
Levobunolol HCl; Levobunololum [INN-Latin]
http://www.opentox.org/api/1.1#IUPACName
5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-1-one
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CCCC2=O
http://www.opentox.org/api/1.1#CASRN
6740-88-1
http://www.opentox.org/api/1.1#ChemicalName
(-)-Ketamine; (S)-(-)-Ketamine; (S)-Ketamine; CI 581 base; Ketamine Base; Ketamine HCL; l-Ketamine
Ketamine
ketamine
http://www.opentox.org/api/1.1#IUPACName
2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
2-(2-chlorophenyl)-2-(methylamino)cyclohexanone
http://www.opentox.org/api/1.1#SMILES
C2CCCC(NC)(C1=C(Cl)C=CC=C1)C2=O
CNC1(CCCCC1=O)C1=CC=CC=C1Cl
CNC1(CCCCC1=O)c2ccccc2Cl
http://www.opentox.org/api/1.1#ChemicalName
1-alpha-acetylmethadol; LAAM; Levacetilmetadol [INN-Spanish]; Levacetylmethadol; Levacetylmethadolum [INN-Latin]; Levo-Alphacetylmethadol; Levo-Methadyl Acetate; Levomethadyl; Nor-LAAM
Levomethadyl Acetate
http://www.opentox.org/api/1.1#IUPACName
(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl acetate
http://www.opentox.org/api/1.1#SMILES
CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
Encainida [Spanish]; Encainide [French]; Encainidum [Latin]
Encainide
http://www.opentox.org/api/1.1#IUPACName
4-methoxy-N-{2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl}benzamide
http://www.opentox.org/api/1.1#SMILES
COC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1CCC1CCCCN1C
http://www.opentox.org/api/1.1#CASRN
972-02-1
http://www.opentox.org/api/1.1#ChemicalName
Difenidol; Difenidol HCl; Difenidol hydrochloride; Difenidolo [DCIT]; Difenidolum [INN-Latin]; Diphenidol HCl; Diphenidol hydrochloride
Diphenidol
diphenidol
http://www.opentox.org/api/1.1#IUPACName
1,1-diphenyl-4-(piperidin-1-yl)butan-1-ol
1,1-diphenyl-4-piperidin-1-ylbutan-1-ol
http://www.opentox.org/api/1.1#SMILES
C3=CC=C(C(O)(CCCN1CCCCC1)C2=CC=CC=C2)C=C3
OC(CCCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1
OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3
http://www.opentox.org/api/1.1#ChemicalName
Saquinavir
Saquinavir Mesylate; SQV
http://www.opentox.org/api/1.1#IUPACName
(2S)-N-[(2S,3R)-4-[(3S)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC2=CC=CC=C2C=C1
http://www.opentox.org/api/1.1#ChemicalName
KAD-1229; Mitiglinide calcium hydrate
Mitiglinide
http://www.opentox.org/api/1.1#IUPACName
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)C(CC(=O)N1CC2CCCCC2C1)CC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
Aliskiren
Rasilez; SPP 100
http://www.opentox.org/api/1.1#IUPACName
(2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide
http://www.opentox.org/api/1.1#SMILES
COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=C1
http://www.opentox.org/api/1.1#ChemicalName
MK-0431; Sitagliptan; Sitagliptin phosphate
Sitagliptin
http://www.opentox.org/api/1.1#IUPACName
(3R)-3-amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
http://www.opentox.org/api/1.1#SMILES
N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC1=CC(F)=C(F)C=C1F
http://www.opentox.org/api/1.1#CASRN
171228-49-2
http://www.opentox.org/api/1.1#ChemicalName
Posaconazole
http://www.opentox.org/api/1.1#IUPACName
(2xi)-1,4-anhydro-2,3,5-trideoxy-4-(2,4-difluorophenyl)-2-({4-[4-(4-{1-[(2S,3S)-2-hydroxypentan-3-yl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenoxy}methyl)-5-(1H-1,2,4-triazol-
4-{4-[4-(4-{[(5R)-5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-1-[(2S,3S)-2-hydroxypentan-3-yl]-4,5-dihydro-1H-1,2,4-triazol-5-one
http://www.opentox.org/api/1.1#SMILES
CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OCC2CO[C@](CN3C=NC=N3)(C2)C2=C(F)C=C(F)C=C2)C=C1
C[C@H](O)[C@H](CC)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OCC6C[C@@](Cn5cncn5)(OC6)c7ccc(F)cc7F
http://www.opentox.org/api/1.1#CASRN
206361-99-1
http://www.opentox.org/api/1.1#ChemicalName
AIDS073035; Darunavirum [INN-latin]; TMC-114; TMC114; UIC-94017
Darunavir
http://www.opentox.org/api/1.1#IUPACName
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)(4-aminobenzene)sulfonamido]-1-phenylbutan-2-yl]carbamate
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
http://www.opentox.org/api/1.1#SMILES
CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)C1=CC=C(N)C=C1
O[C@@H]([C@@H](NC(O[C@H]2CO[C@@]3([H])OCC[C@@]23[H])=O)CC1=CC=CC=C1)CN(S(=O)(C4=CC=C(C=C4)N)=O)CC(C)C
http://www.opentox.org/api/1.1#ChemicalName
CP-526,555; Varenicline tartrate
Varenicline
http://www.opentox.org/api/1.1#IUPACName
(1R,12S)-5,8,14-triazatetracyclo[10.3.1.0^{2,11}.0^{4,9}]hexadeca-2(11),3,5,7,9-pentaene
http://www.opentox.org/api/1.1#SMILES
C1[C@H]2CNC[C@@H]1C1=CC3=NC=CN=C3C=C21
http://www.opentox.org/api/1.1#ChemicalName
Dihydroergotoxine
http://www.opentox.org/api/1.1#IUPACName
(4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; methanesulfonic acid
http://www.opentox.org/api/1.1#SMILES
CS(O)(=O)=O.CN1C[C@@H](CC2[C@H]1CC1=CNC3=CC=CC2=C13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC3=CC=CC=C3)N2C1=O
http://www.opentox.org/api/1.1#ChemicalName
Rolitetracycline
http://www.opentox.org/api/1.1#IUPACName
(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(pyrrolidin-1-ylmethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(=O)NCN2CCCC2)=C1O)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O
http://www.opentox.org/api/1.1#ChemicalName
Fosamprenavir
http://www.opentox.org/api/1.1#IUPACName
{[(2R,3S)-1-[N-(2-methylpropyl)(4-aminobenzene)sulfonamido]-3-({[(3S)-oxolan-3-yloxy]carbonyl}amino)-4-phenylbutan-2-yl]oxy}phosphonic acid
http://www.opentox.org/api/1.1#SMILES
CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1
http://www.opentox.org/api/1.1#CASRN
88768-40-5
http://www.opentox.org/api/1.1#ChemicalName
Cilazapril
Inhibace
http://www.opentox.org/api/1.1#IUPACName
(1S,9S)-9-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-10-oxo-octahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
(1S,9S)-9-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O
O=[C@](O)[C@@H]1CCCN2N1C([C@@H](N[C@@H](CCC3=CC=CC=C3)[C@](OCC)=O)CCC2)=O
http://www.opentox.org/api/1.1#ChemicalName
Spirapril
http://www.opentox.org/api/1.1#IUPACName
(8S)-7-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2
http://www.opentox.org/api/1.1#ChemicalName
Penbutolol
Penbutolol sulfate
http://www.opentox.org/api/1.1#IUPACName
tert-butyl[(2S)-3-(2-cyclopentylphenoxy)-2-hydroxypropyl]amine
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)NC[C@H](O)COC1=CC=CC=C1C1CCCC1
http://www.opentox.org/api/1.1#CASRN
72332-33-3
http://www.opentox.org/api/1.1#ChemicalName
Procaterol
http://www.opentox.org/api/1.1#IUPACName
8-hydroxy-5-[(1R,2S)-1-hydroxy-2-[(propan-2-yl)amino]butyl]-1,2-dihydroquinolin-2-one
http://www.opentox.org/api/1.1#SMILES
CC[C@H](NC(C)C)[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
Mibefradil
http://www.opentox.org/api/1.1#IUPACName
(1S,2S)-2-(2-{[3-(1H-1,3-benzodiazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate
http://www.opentox.org/api/1.1#SMILES
COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C
http://www.opentox.org/api/1.1#CASRN
64-86-8
http://www.opentox.org/api/1.1#ChemicalName
Colchicin; Colchicina; Colchicinum
Colchicine
n-[(7s)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
http://www.opentox.org/api/1.1#IUPACName
N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0^{2,7}]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl}acetamide
http://www.opentox.org/api/1.1#SMILES
CC(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3C1=CC=C(OC)C(=O)C=C12
COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1C(CC2)NC(C)=O
http://www.opentox.org/api/1.1#ChemicalName
ONO-RS 411
Pranlukast
http://www.opentox.org/api/1.1#IUPACName
N-[4-oxo-2-(2H-1,2,3,4-tetrazol-5-yl)-4H-chromen-7-yl]-4-(4-phenylbutoxy)benzamide
http://www.opentox.org/api/1.1#SMILES
O=C(NC1=CC2=C(C=C1)C(=O)C=C(O2)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1
http://www.opentox.org/api/1.1#CASRN
152-72-7
http://www.opentox.org/api/1.1#ChemicalName
Acenocoumarin; Acenocoumarolum [INN-latin]; Nicoumalone; Nicumalon; Nitrophenylacetylethyl-4-hydroxycoumarine; Nitrovarfarian; Nitrowarfarin
Acenocoumarol
acenocoumarin
http://www.opentox.org/api/1.1#IUPACName
4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one
http://www.opentox.org/api/1.1#SMILES
C1=CC=C3C(=C1)OC(=O)C(C(CC(C)=O)C2=CC=C(N(=O)=O)C=C2)=C3O
CC(=O)CC(C1=CC=C(C=C1)[N+]([O-])=O)C1=C(O)C2=CC=CC=C2OC1=O
[O-][N+](=O)c1ccc(cc1)C(CC(C)=O)C2=C(O)c3ccccc3OC2=O
http://www.opentox.org/api/1.1#CASRN
4360-12-7
http://www.opentox.org/api/1.1#ChemicalName
Ajmalin
Ajmaline
http://www.opentox.org/api/1.1#IUPACName
(1R,9R,10S,12R,13S,14R,16S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2,4,6-triene-14,18-diol
(3x,16x,17R,20x,21a)-ajmalan-17,21-diol
http://www.opentox.org/api/1.1#SMILES
CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)C5=CC=CC=C5[C@]44C[C@@H](C2[C@H]4O)N3[C@@H]1O
CN5c1ccccc1C26CC4C([C@H]2O)C3CC(N4[C@H](O)C3CC)[C@H]56
http://www.opentox.org/api/1.1#ChemicalName
Acetilmetadol [inn-spanish]; Acetylmethadol; Acetylmethadolum [inn-latin]; Betamethadol
Methadyl Acetate
http://www.opentox.org/api/1.1#IUPACName
6-(dimethylamino)-4,4-diphenylheptan-3-yl acetate
http://www.opentox.org/api/1.1#SMILES
CCC(OC(C)=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
http://www.opentox.org/api/1.1#CASRN
77-21-4
http://www.opentox.org/api/1.1#ChemicalName
Glutathimid; Glutethimid; Glutetimid; Glutetimide; Gluthetimide
Glutethimide
glutethimide
http://www.opentox.org/api/1.1#IUPACName
3-ethyl-3-phenylpiperidine-2,6-dione
http://www.opentox.org/api/1.1#SMILES
C2(=O)CCC(C1=CC=CC=C1)(CC)C(=O)N2
CCC1(CCC(=O)NC1=O)C1=CC=CC=C1
CCC1(CCC(=O)NC1=O)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
Dihydroetorphine
http://www.opentox.org/api/1.1#IUPACName
(1S,2R,6S,14R,15R,16R)-16-[(2R)-2-hydroxypentan-2-yl]-15-methoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7,9,11-trien-11-ol
http://www.opentox.org/api/1.1#SMILES
CCC[C@@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1OC4=C(O)C=CC5=C4[C@]21CCN(C)[C@@H]3C5
http://www.opentox.org/api/1.1#CASRN
561-27-3
http://www.opentox.org/api/1.1#ChemicalName
3,6-Diacetylmorphine
Heroin
diacetylmorphine; diamorphine; Smack
http://www.opentox.org/api/1.1#IUPACName
(1S,5R,13R,14S,17R)-10-(acetyloxy)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraen-14-yl acetate
(5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl diacetate
http://www.opentox.org/api/1.1#SMILES
CN1CC[C@]23[C@H]4OC5=C(OC(C)=O)C=CC(C[C@@H]1[C@@H]2C=C[C@@H]4OC(C)=O)=C35
O=C(C)OC1=C2C([C@@]([C@](C=C[C@@H]4OC(C)=O)([H])[C@H](N(C)CC5)C3)5[C@H]4O2)=C3C=C1
http://www.opentox.org/api/1.1#ChemicalName
2-Aethylamino-3-phenyl-nor-camphan; 2-Ethylamino-3-phenyl-norcamphane hydrochloride; 2-Ethylamino-3-phenylnorcamphane hydrochloride; Fencamfamin; Fencamfamin hydrochloride; Fencamfamina [dcit]; Fencamfamine [inn-french]; Fencamfamine hydrochloride; Fencamfaminum [inn-latin]; Fencanfamina [inn-spanish]
Fencamfamine
http://www.opentox.org/api/1.1#IUPACName
N-ethyl-3-phenylbicyclo[2.2.1]heptan-2-amine
http://www.opentox.org/api/1.1#SMILES
CCNC1C2CCC(C2)C1C1=CC=CC=C1
http://www.opentox.org/api/1.1#CASRN
76-58-4
http://www.opentox.org/api/1.1#ChemicalName
Dionine; Ethyl morphine
Ethylmorphine
http://www.opentox.org/api/1.1#IUPACName
(1S,5R,13R,14S,17R)-10-ethoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraen-14-ol
(5alpha,6alpha)-3-ethoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol
http://www.opentox.org/api/1.1#SMILES
CCOC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5C
O[C@@H]4[C@H]2[C@]([C@](C=C4)([H])[C@H](N(C)CC5)C3)5C1=C3C=CC(OCC)=C1O2
http://www.opentox.org/api/1.1#ChemicalName
Acetorphine
http://www.opentox.org/api/1.1#IUPACName
(14S,19R)-19-[(2R)-2-hydroxypentan-2-yl]-15-methoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7,9,11,16-tetraen-11-yl acetate
http://www.opentox.org/api/1.1#SMILES
CCC[C@@](C)(O)[C@H]1CC23C=CC1(OC)[C@H]1OC4=C(OC(C)=O)C=CC5=C4C21CCN(C)C3C5
http://www.opentox.org/api/1.1#ChemicalName
Codeine methylbromide
http://www.opentox.org/api/1.1#IUPACName
(1S,5R,13R,14S,17R)-14-hydroxy-10-methoxy-4,4-dimethyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraen-4-ium bromide
http://www.opentox.org/api/1.1#SMILES
[Br-].COC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CC[N+]5(C)C
http://www.opentox.org/api/1.1#ChemicalName
Cyprenorphine
http://www.opentox.org/api/1.1#IUPACName
3-(cyclopropylmethyl)-19-(2-hydroxypropan-2-yl)-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7,9,11,16-tetraen-11-ol
http://www.opentox.org/api/1.1#SMILES
COC12C=CC3(CC1C(C)(C)O)C1CC4=C5C(OC2C35CCN1CC1CC1)=C(O)C=C4
http://www.opentox.org/api/1.1#ChemicalName
Dipipanone
http://www.opentox.org/api/1.1#IUPACName
4,4-diphenyl-6-(piperidin-1-yl)heptan-3-one
http://www.opentox.org/api/1.1#SMILES
CCC(=O)C(CC(C)N1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
19-Propylorvinol; 7-alpha-Etorphine; DEA No. 9056; Etorphine HCl; Etorphine Hydrochloride; Etorphinum [INN-Latin]; M99
Etorphine
http://www.opentox.org/api/1.1#IUPACName
(1R,2R,6S)-19-(2-hydroxypentan-2-yl)-15-methoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7,9,11,16-tetraen-11-ol
http://www.opentox.org/api/1.1#SMILES
CCCC(C)(O)C1C[C@@]23C=CC1(OC)C1OC4=C(O)C=CC5=C4[C@]21CCN(C)[C@@H]3C5
http://www.opentox.org/api/1.1#ChemicalName
Alphamethadol
http://www.opentox.org/api/1.1#IUPACName
(3R,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-ol
http://www.opentox.org/api/1.1#SMILES
CC[C@@H](O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
Alphameprodine
http://www.opentox.org/api/1.1#IUPACName
(3S,4R)-3-ethyl-1-methyl-4-phenylpiperidin-4-yl propanoate
http://www.opentox.org/api/1.1#SMILES
CC[C@H]1CN(C)CC[C@]1(OC(=O)CC)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
1-Phenylcyclohexylamine
http://www.opentox.org/api/1.1#IUPACName
1-phenylcyclohexan-1-amine
http://www.opentox.org/api/1.1#SMILES
NC1(CCCCC1)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
Hydromorphinol
http://www.opentox.org/api/1.1#IUPACName
(1S,5R,13R,14S,17S)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-triene-10,14,17-triol
http://www.opentox.org/api/1.1#SMILES
CN1CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@]2(O)CC[C@@H]4O)=C35
http://www.opentox.org/api/1.1#ChemicalName
Betacetylmethadol
http://www.opentox.org/api/1.1#IUPACName
(3S,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-yl acetate
http://www.opentox.org/api/1.1#SMILES
CC[C@H](OC(C)=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
Desomorphine
http://www.opentox.org/api/1.1#IUPACName
4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-10-ol
http://www.opentox.org/api/1.1#SMILES
CN1CCC23C4CCCC2C1CC1=C3C(O4)=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
Acetyldihydrocodeine
http://www.opentox.org/api/1.1#IUPACName
(1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-yl acetate
http://www.opentox.org/api/1.1#SMILES
COC1=C2O[C@H]3[C@H](CC[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5C)OC(C)=O
http://www.opentox.org/api/1.1#ChemicalName
Allylprodine
http://www.opentox.org/api/1.1#IUPACName
1-methyl-4-phenyl-3-(prop-2-en-1-yl)piperidin-4-yl propanoate
http://www.opentox.org/api/1.1#SMILES
CCC(=O)OC1(CCN(C)CC1CC=C)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
Drotebanol
http://www.opentox.org/api/1.1#IUPACName
(1R,9R,10S,13R)-3,4-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-triene-10,13-diol
http://www.opentox.org/api/1.1#SMILES
COC1=C(OC)C2=C(C[C@H]3N(C)CC[C@@]22C[C@H](O)CC[C@@]32O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
Diprenorphine
http://www.opentox.org/api/1.1#IUPACName
(1S,2R,6S)-3-(cyclopropylmethyl)-16-(2-hydroxypropan-2-yl)-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7,9,11-trien-11-ol
http://www.opentox.org/api/1.1#SMILES
COC12CC[C@@]3(CC1C(C)(C)O)[C@H]1CC4=C5C(OC2[C@@]35CCN1CC1CC1)=C(O)C=C4
http://www.opentox.org/api/1.1#CASRN
2201-39-0
http://www.opentox.org/api/1.1#ChemicalName
1-(1-phenylcyclohexyl)pyrrolidine; DEA No. 7458; PCPy; Pyrrolidine analog of phencyclidine; Roliciclidina [INN-Spanish]; Rolicyclidinum [INN-Latin]
Rolicyclidine
http://www.opentox.org/api/1.1#IUPACName
1-(1-phenylcyclohexyl)pyrrolidine
http://www.opentox.org/api/1.1#SMILES
C1(C2(N3CCCC3)CCCCC2)=CC=CC=C1
C1CCN(C1)C1(CCCCC1)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
Dihydrocodeine
http://www.opentox.org/api/1.1#IUPACName
(1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-ol
http://www.opentox.org/api/1.1#SMILES
COC1=C2O[C@H]3[C@@H](O)CC[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5C
http://www.opentox.org/api/1.1#ChemicalName
Betameprodine
http://www.opentox.org/api/1.1#IUPACName
3-ethyl-1-methyl-4-phenylpiperidin-4-yl propanoate
http://www.opentox.org/api/1.1#SMILES
CCC1CN(C)CCC1(OC(=O)CC)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
Alphacetylmethadol
http://www.opentox.org/api/1.1#IUPACName
(3R,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-yl acetate
http://www.opentox.org/api/1.1#SMILES
CC[C@@H](OC(C)=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
http://www.opentox.org/api/1.1#CASRN
509-60-4
http://www.opentox.org/api/1.1#ChemicalName
Dihydromorphine
http://www.opentox.org/api/1.1#IUPACName
(1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-triene-10,14-diol
(5alpha,6alpha)-17-methyl-4,5-epoxymorphinan-3,6-diol
http://www.opentox.org/api/1.1#SMILES
CN1CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@@H]2CC[C@@H]4O)=C35
Oc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)CC[C@@H]45
http://www.opentox.org/api/1.1#ChemicalName
Codeine-N-oxide
http://www.opentox.org/api/1.1#IUPACName
(1S,4S,5R,13R,14S,17R)-14-hydroxy-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraen-4-ium-4-olate
http://www.opentox.org/api/1.1#SMILES
COC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CC[N@+]5(C)[O-]
http://www.opentox.org/api/1.1#ChemicalName
Benzylmorphine
http://www.opentox.org/api/1.1#IUPACName
(1S,5R,13R,14S,17R)-10-(benzyloxy)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraen-14-ol
http://www.opentox.org/api/1.1#SMILES
CN1CC[C@]23[C@H]4OC5=C(OCC6=CC=CC=C6)C=CC(C[C@@H]1[C@@H]2C=C[C@@H]4O)=C35
http://www.opentox.org/api/1.1#CASRN
192725-17-0
http://www.opentox.org/api/1.1#ChemicalName
ABT-378; LPV
Lopinavir
http://www.opentox.org/api/1.1#IUPACName
(2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
(2S)-N-[(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide
http://www.opentox.org/api/1.1#SMILES
CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)CC1=CC=CC=C1
O=C(N[C@H]([C@H](C[C@H](CC4=CC=CC=C4)NC([C@H]([C@H](C)C)N3CCCNC3=O)=O)O)CC2=CC=CC=C2)COC1=C(C)C=CC=C1C
http://www.opentox.org/api/1.1#ChemicalName
SC 74020; SC74020
SC-74020
http://www.opentox.org/api/1.1#IUPACName
N-(4-{[(1R)-1-(hydroxycarbamoyl)-2-methylpropyl][2-(morpholin-4-yl)ethyl]sulfamoyl}phenyl)-4-pentylbenzamide
http://www.opentox.org/api/1.1#SMILES
CCCCCC1=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCN1CCOCC1)[C@H](C(C)C)C(=O)NO
http://www.opentox.org/api/1.1#ChemicalName
(5r)-6-(4-{[2-(3-Iodobenzyl)-3-Oxocyclohex-1-En-1-Yl]Amino}Phenyl)-5-Methyl-4,5-Dihydropyridazin-3(2h)-One
http://www.opentox.org/api/1.1#IUPACName
(5S)-6-[4-({2-[(3-iodophenyl)methyl]-3-oxocyclohex-1-en-1-yl}amino)phenyl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
http://www.opentox.org/api/1.1#SMILES
C[C@H]1CC(=O)NN=C1C1=CC=C(NC2=C(CC3=CC=CC(I)=C3)C(=O)CCC2)C=C1
http://www.opentox.org/api/1.1#ChemicalName
3,6-Dihydroxy-Xanthene-9-Propionic Acid
http://www.opentox.org/api/1.1#IUPACName
3-(3,6-dihydroxy-9H-xanthen-9-yl)propanoic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)CCC1C2=CC=C(O)C=C2OC2=C1C=CC(O)=C2
http://www.opentox.org/api/1.1#ChemicalName
Nanaomycin D
http://www.opentox.org/api/1.1#IUPACName
(11R,15S,17S)-4-hydroxy-17-methyl-12,16-dioxatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione
http://www.opentox.org/api/1.1#SMILES
C[C@@H]1O[C@H]2CC(=O)O[C@@H]2C2=C1C(=O)C1=C(C=CC=C1O)C2=O
http://www.opentox.org/api/1.1#ChemicalName
Analogue of Indinavir Drug
http://www.opentox.org/api/1.1#IUPACName
(2R)-4-(2H-1,3-benzodioxol-5-ylmethyl)-N-tert-butyl-1-[(2R,4R)-2-hydroxy-4-{[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-4-[(1S)-1-phenylethyl]butyl]piperazine-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
C[C@@H]([C@@H](C[C@@H](O)CN1CCN(CC2=CC=C3OCOC3=C2)C[C@@H]1C(=O)NC(C)(C)C)C(=O)N[C@H]1[C@H](O)CC2=CC=CC=C12)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
10-{4-Dimethylamino-5-[4-Hydroxy-6-Methyl-5-(6-Methyl-5-Oxo-Tetrahydro-Pyran-2-Yloxy)-Tetrahydro-Pyrane-2-Yloxy]-6-Methyl-Tetrahydro-Pyran-2-Yloxy}-8-Ethyl-1,8,11-Trihydroxy-7,8,9,10-Tetrahydro-Naphthacene-5,12-Dione
http://www.opentox.org/api/1.1#IUPACName
(8S,10S)-10-{[(2R,4R,5S,6R)-4-(dimethylamino)-5-{[(2S,4R,5R,6R)-4-hydroxy-6-methyl-5-{[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-8-ethyl-1,8,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
http://www.opentox.org/api/1.1#SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([C@H](O[C@H]3C[C@@H](O)[C@@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)N(C)C)C2=C(O)C3=C(C=C2C1)C(=O)C1=CC=CC(O)=C1C3=O
http://www.opentox.org/api/1.1#ChemicalName
(3s)-Tetrahydrofuran-3-Yl (1r,2s)-3-[4-((1r)-2-{[(S)-Amino(Hydroxy)Methyl]Oxy}-2,3-Dihydro-1h-Inden-1-Yl)-2-Benzyl-3-Oxopyrrolidin-2-Yl]-1-Benzyl-2-Hydroxypropylcarbamate
http://www.opentox.org/api/1.1#IUPACName
(3R)-oxolan-3-yl N-[(2R,3R)-4-[(2S,4S)-4-[(2S)-2-[(S)-amino(hydroxy)methoxy]-2,3-dihydro-1H-inden-1-yl]-2-benzyl-3-oxopyrrolidin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
http://www.opentox.org/api/1.1#SMILES
N[C@@H](O)O[C@H]1CC2=CC=CC=C2C1[C@H]1CN[C@](C[C@@H](O)[C@@H](CC2=CC=CC=C2)NC(=O)O[C@@H]2CCOC2)(CC2=CC=CC=C2)C1=O
http://www.opentox.org/api/1.1#ChemicalName
{4-[2-Acetylamino-2-(3-Carbamoyl-2-Cyclohexylmethoxy-6,7,8,9-Tetrahydro-5h-Benzocyclohepten-5ylcarbamoyl)-Ethyl]-2-Phosphono-Phenyl}-Phosphonic Acid
http://www.opentox.org/api/1.1#IUPACName
{4-[(2S)-2-{[(5R)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamoyl}-2-acetamidoethyl]-2-phosphonophenyl}phosphonic acid
http://www.opentox.org/api/1.1#SMILES
CC(=O)N[C@@H](CC1=CC=C(C(=C1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@@H]1CCCCC2=CC(OCC3CCCCC3)=C(C=C12)C(N)=O
http://www.opentox.org/api/1.1#CASRN
104-51-8
http://www.opentox.org/api/1.1#ChemicalName
Butylbenzene
N-Butylbenzene
n-butylbenzene
http://www.opentox.org/api/1.1#IUPACName
butylbenzene
http://www.opentox.org/api/1.1#SMILES
C1(CCCC)C=CC=CC=1
CCCCC1=CC=CC=C1
CCCCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
(2s,3s,8s,9s)-3-Amino-9-Methoxy-2,6,8-Trimethyl-10-Phenyldeca-4,6-Dienoic Acid
http://www.opentox.org/api/1.1#IUPACName
(2S,3R,4E,6E,8R,9R)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
http://www.opentox.org/api/1.1#SMILES
CO[C@H](CC1=CC=CC=C1)[C@H](C)\C=C(/C)\C=C\[C@@H](N)[C@H](C)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
[1-(4-Fluorobenzyl)Cyclobutyl]Methyl (1s)-1-[Oxo(1h-Pyrazol-5-Ylamino)Acetyl]Pentylcarbamate
http://www.opentox.org/api/1.1#IUPACName
{1-[(4-fluorophenyl)methyl]cyclobutyl}methyl N-[(2S)-1-oxo-1-[(1H-pyrazol-5-yl)carbamoyl]hexan-2-yl]carbamate
http://www.opentox.org/api/1.1#SMILES
CCCC[C@H](NC(=O)OCC1(CC2=CC=C(F)C=C2)CCC1)C(=O)C(=O)NC1=CC=NN1
http://www.opentox.org/api/1.1#ChemicalName
[1-(1-Benzyl-3-Hydroxy-2-Oxo-Propylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester
http://www.opentox.org/api/1.1#IUPACName
benzyl N-[(1S)-1-{[(2S)-4-hydroxy-3-oxo-1-phenylbutan-2-yl]carbamoyl}-2-phenylethyl]carbamate
http://www.opentox.org/api/1.1#SMILES
OCC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-Tetrahydronaphthalen-2-Yl)Cyclopropyl]Pyridine-3-Carboxylic Acid
http://www.opentox.org/api/1.1#IUPACName
6-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CC1=CC2=C(C=C1C1(CC1)C1=CC=C(C=N1)C(O)=O)C(C)(C)CCC2(C)C
http://www.opentox.org/api/1.1#ChemicalName
(S)-blebbistatin
http://www.opentox.org/api/1.1#IUPACName
(3aS)-3a-hydroxy-6-methyl-1-phenyl-1H,2H,3H,3aH,4H-pyrrolo[2,3-b]quinolin-4-one
http://www.opentox.org/api/1.1#SMILES
CC1=CC=C2N=C3N(CC[C@@]3(O)C(=O)C2=C1)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
4-phenylbutyric acid
Gamma-Phenyl-Butyric Acid
http://www.opentox.org/api/1.1#IUPACName
4-phenylbutanoic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)CCCc1ccccc1
OC(=O)CCCC1=CC=CC=C1
c1ccc(cc1)CCCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
L-756,423
http://www.opentox.org/api/1.1#IUPACName
(2S)-4-(1-benzofuran-2-ylmethyl)-1-[(2S,4S)-4-benzyl-2-hydroxy-4-{[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butylpiperazine-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)NC(=O)[C@@H]1CN(CC2=CC3=C(O2)C=CC=C3)CCN1C[C@@H](O)C[C@H](CC1=CC=CC=C1)C(=O)N[C@H]1[C@H](O)CC2=CC=CC=C12
http://www.opentox.org/api/1.1#ChemicalName
Fidarestat
Fidarestat(Stereoisomer)
http://www.opentox.org/api/1.1#IUPACName
(2R,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-benzopyran-4,4'-imidazolidine]-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
NC(=O)[C@H]1C[C@]2(NC(=O)NC2=O)C2=CC(F)=CC=C2O1
http://www.opentox.org/api/1.1#ChemicalName
N-(3-Cyclopropyl(5,6,7,8,9,10-Hexahydro-2-Oxo-2h-Cycloocta[B]Pyran-3-Yl)Methyl)Phenylbenzensulfonamide
http://www.opentox.org/api/1.1#IUPACName
N-{3-[(S)-cyclopropyl({4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-3-yl})methyl]phenyl}benzenesulfonamide
http://www.opentox.org/api/1.1#SMILES
OC1=C([C@@H](C2CC2)C2=CC=CC(NS(=O)(=O)C3=CC=CC=C3)=C2)C(=O)OC2=C1CCCCCC2
http://www.opentox.org/api/1.1#ChemicalName
3-[N-[Benzyloxycarbonyl]-Phenylalaninyl-Amino]-5-Phenyl-Pentane-1-Sulfonic Acid 4-Nitro-Phenyl Ester
http://www.opentox.org/api/1.1#IUPACName
benzyl N-[(1R)-1-{[(3R)-1-[(4-nitrophenoxy)sulfonyl]-5-phenylpentan-3-yl]carbamoyl}-2-phenylethyl]carbamate
http://www.opentox.org/api/1.1#SMILES
[O-][N+](=O)C1=CC=C(OS(=O)(=O)CC[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)OCC2=CC=CC=C2)C=C1
http://www.opentox.org/api/1.1#ChemicalName
L-2-Amino-4-[2-Aminophenyl]-4-Oxobutanoic Acid
http://www.opentox.org/api/1.1#IUPACName
(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
http://www.opentox.org/api/1.1#SMILES
N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
1-{2-[2-(2-Methoxyethoxy)Ethoxy]Ethoxy}-4-(1,1,3,3-Tetramethylbutyl)Benzene
http://www.opentox.org/api/1.1#IUPACName
1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1,4,7,10-tetraoxaundecane
http://www.opentox.org/api/1.1#SMILES
COCCOCCOCCOC1=CC=C(C=C1)C(C)(C)CC(C)(C)C
http://www.opentox.org/api/1.1#ChemicalName
Bis-Benzamidine
http://www.opentox.org/api/1.1#IUPACName
4-{[(1R,3R)-3-[(4-carbamimidoylphenyl)methyl]-2-oxocycloheptyl]methyl}benzene-1-carboximidamide
http://www.opentox.org/api/1.1#SMILES
NC(=N)C1=CC=C(C[C@H]2CCCC[C@H](CC3=CC=C(C=C3)C(N)=N)C2=O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
1-[(2R)-1-hydroxy-4-phenylbutan-2-yl]-1H-imidazole-4-carboxamide
FR221647
http://www.opentox.org/api/1.1#IUPACName
1-[(2R)-1-hydroxy-4-phenylbutan-2-yl]-1H-imidazole-4-carboxamide
http://www.opentox.org/api/1.1#SMILES
NC(=O)C1=CN(C=N1)[C@@H](CO)CCC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
DMP450
http://www.opentox.org/api/1.1#IUPACName
(4S,5S,6S,7S)-1,3-bis[(3-aminophenyl)methyl]-4,7-dibenzyl-1,3-diazepane-2,5,6-triol
http://www.opentox.org/api/1.1#SMILES
NC1=CC(CN2C(O)N(CC3=CC(N)=CC=C3)[C@@H](CC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H]2CC2=CC=CC=C2)=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
[1-(3-Hydroxy-2-Oxo-1-Phenethyl-Propylcarbamoyl)2-Phenyl-Ethyl]-Carbamic Acid Pyridin-4-Ylmethyl Ester
http://www.opentox.org/api/1.1#IUPACName
pyridin-3-ylmethyl N-[(1R)-1-{[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]carbamoyl}-2-phenylethyl]carbamate
http://www.opentox.org/api/1.1#SMILES
OCC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CN=C1
http://www.opentox.org/api/1.1#ChemicalName
2,3-Bis-Benzo[1,3]Dioxol-5-Ylmethyl-Succinic Acid
http://www.opentox.org/api/1.1#IUPACName
(2S,3S)-2,3-bis(2H-1,3-benzodioxol-5-ylmethyl)butanedioic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)[C@@H](CC1=CC=C2OCOC2=C1)[C@H](CC1=CC=C2OCOC2=C1)C(O)=O
http://www.opentox.org/api/1.1#CASRN
474-86-2
http://www.opentox.org/api/1.1#ChemicalName
Equilin
http://www.opentox.org/api/1.1#IUPACName
(1S,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5,9-tetraen-14-one
3-hydroxyestra-1,3,5(10),7-tetraen-17-one
http://www.opentox.org/api/1.1#SMILES
C[C@]12CC[C@H]3C(=CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O
O=C3[C@]2(C)[C@](CC3)([H])C1=CCC4=C(C=CC(O)=C4)[C@]([H])1CC2
Oc3cc4CC=C1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)c4cc3
http://www.opentox.org/api/1.1#ChemicalName
3-[N-[Benzyloxycarbonyl]-Phenylalaninyl-Amino]-5-Phenyl-Pentane-1-Sulfonylmethylbenzene
http://www.opentox.org/api/1.1#IUPACName
benzyl N-[(1S)-2-phenyl-1-{[(3R)-1-phenyl-5-(phenylmethane)sulfonylpentan-3-yl]carbamoyl}ethyl]carbamate
http://www.opentox.org/api/1.1#SMILES
O=C(N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](CCC1=CC=CC=C1)CCS(=O)(=O)CC1=CC=CC=C1)OCC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
6-(1,1-Dimethylallyl)-2-(1-Hydroxy-1-Methylethyl)-2,3-Dihydro-7h-Furo[3,2-G]Chromen-7-One
http://www.opentox.org/api/1.1#IUPACName
(7S)-7-(2-hydroxypropan-2-yl)-3-(2-methylbut-3-en-2-yl)-2H,6H,7H-furo[3,2-g]chromen-2-one
http://www.opentox.org/api/1.1#SMILES
CC(C)(O)[C@@H]1CC2=C(O1)C=C1OC(=O)C(=CC1=C2)C(C)(C)C=C
http://www.opentox.org/api/1.1#ChemicalName
O-Succinylbenzoate
http://www.opentox.org/api/1.1#IUPACName
2-(3-carboxypropanoyl)benzoic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)CCC(=O)C1=C(C=CC=C1)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
SR11254
http://www.opentox.org/api/1.1#IUPACName
6-[(1Z)-(hydroxyimino)(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CC1(C)CCC(C)(C)C2=CC(=CC=C12)C(=N/O)\C1=CC=C2C=C(C=CC2=C1)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
6-Oxo-8,9,10,11-Tetrahydro-7h-Cyclohepta[C][1]Benzopyran-3-O-Sulfamate
http://www.opentox.org/api/1.1#IUPACName
6-oxo-6H,7H,8H,9H,10H,11H-cyclohepta[c]chromen-3-yl sulfamate
http://www.opentox.org/api/1.1#SMILES
NS(=O)(=O)OC1=CC=C2C3=C(CCCCC3)C(=O)OC2=C1
http://www.opentox.org/api/1.1#ChemicalName
N-(1-Carboxy-3-Phenylpropyl)Phenylalanyl-Alpha-Asparagine
http://www.opentox.org/api/1.1#IUPACName
(2S)-2-{[(1R)-1-{[(1R)-1-carbamoyl-2-carboxyethyl]carbamoyl}-2-phenylethyl]amino}-4-phenylbutanoic acid
http://www.opentox.org/api/1.1#SMILES
NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC1=CC=CC=C1)N[C@@H](CCC1=CC=CC=C1)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
4-{2-(4-Fluoro-Benzyl)-6-Methyl-5-[(5-Methyl-Isoxazole-3-Carbonyl)-Amino]-4-Oxo-Heptanoylamino}-5-(2-Oxo-Pyrrolidin-3-Yl)-Pentanoic Acid Ethyl Ester
http://www.opentox.org/api/1.1#IUPACName
ethyl (4S)-4-[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazol-3-yl)formamido]-4-oxoheptanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
http://www.opentox.org/api/1.1#SMILES
CCOC(=O)CC[C@@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)C1=NOC(C)=C1)C(C)C)CC1=CC=C(F)C=C1
http://www.opentox.org/api/1.1#ChemicalName
EM-1745
http://www.opentox.org/api/1.1#IUPACName
[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 9-[(1S,10R,11S,13R,14R,15S)-5,14-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-13-yl]nonanoate
http://www.opentox.org/api/1.1#SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CC=C34)[C@@H]1C[C@@H](CCCCCCCCC(=O)OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC3=C1N=CN=C3N)[C@H]2O
http://www.opentox.org/api/1.1#ChemicalName
2-(11-{2-[Benzenesulfonyl-(3-Methyl-Butyl)-Amino]-1-Hydroxy-Ethyl}-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-8-Yl)-Acetamide, Inhibitor 2
http://www.opentox.org/api/1.1#IUPACName
2-[(8S,11S)-11-[(1R)-1-hydroxy-2-[N-(3-methylbutyl)benzenesulfonamido]ethyl]-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamide
http://www.opentox.org/api/1.1#SMILES
CC(C)CCN(C[C@@H](O)[C@@H]1CC2=CC=C(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)C=C2)S(=O)(=O)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
2-Benzo[1,3]Dioxol-5-Ylmethyl-3-Benzyl-Succinic Acid
http://www.opentox.org/api/1.1#IUPACName
(2S,3S)-2-(2H-1,3-benzodioxol-5-ylmethyl)-3-benzylbutanedioic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)[C@@H](CC1=CC=CC=C1)[C@H](CC1=CC2=C(OCO2)C=C1)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
4-[3-Oxo-3-(5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydro-Naphthalen-2-Yl)-Propenyl]-Benzoic Acid
http://www.opentox.org/api/1.1#IUPACName
4-[(1E)-3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid
http://www.opentox.org/api/1.1#SMILES
CC1(C)CCC(C)(C)C2=CC(=CC=C12)C(=O)\C=C\C1=CC=C(C=C1)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
[Cyclohexylethyl]-[[[[4-[2-Methyl-1-Imidazolyl-Butyl]Phenyl]Acetyl]-Seryl]-Lysinyl]-Amine
http://www.opentox.org/api/1.1#IUPACName
(2R)-6-amino-N-(2-cyclohexylethyl)-2-[(2R)-3-hydroxy-2-(2-{4-[4-(2-methyl-1H-imidazol-1-yl)butyl]phenyl}acetamido)propanamido]hexanamide
http://www.opentox.org/api/1.1#SMILES
CC1=NC=CN1CCCCC1=CC=C(CC(=O)N[C@H](CO)C(=O)N[C@H](CCCCN)C(=O)NCCC2CCCCC2)C=C1
http://www.opentox.org/api/1.1#ChemicalName
N-(R-Carboxy-Ethyl)-Alpha-(S)-(2-Phenylethyl)
http://www.opentox.org/api/1.1#IUPACName
methyl 2-{4-[4-({N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1-(4-pentylphenyl)formamido}methyl)phenyl]phenyl}acetate
http://www.opentox.org/api/1.1#SMILES
CCCCCC1=CC=C(C=C1)C(=O)N(CC1=CC=C(C=C1)C1=CC=C(CC(=O)OC)C=C1)C1CCN(CC2=NC=CN2)CC1
http://www.opentox.org/api/1.1#ChemicalName
2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid
http://www.opentox.org/api/1.1#IUPACName
(2S,3S,6R,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldecanoic acid
http://www.opentox.org/api/1.1#SMILES
CO[C@@H](CC1=CC=CC=C1)[C@@H](C)C[C@H](C)CC[C@H](N)[C@H](C)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
4-Hydroxy-3-[(1s)-3-Oxo-1-Phenylbutyl]-2h-Chromen-2-One
http://www.opentox.org/api/1.1#IUPACName
4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-chromen-2-one
http://www.opentox.org/api/1.1#SMILES
CC(=O)C[C@@H](C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O
http://www.opentox.org/api/1.1#ChemicalName
1-(N-Imidazolyl)-2-Hydroxy-2-(2,3-Dichlorophenyl)Octane
http://www.opentox.org/api/1.1#IUPACName
(2R)-2-(2,4-dichlorophenyl)-1-(1H-imidazol-1-yl)octan-2-ol
http://www.opentox.org/api/1.1#SMILES
CCCCCC[C@](O)(CN1C=CN=C1)C1=CC=C(Cl)C=C1Cl
http://www.opentox.org/api/1.1#ChemicalName
1-[3,3-Dimethyl-2-(2-Methylamino-Propionylamino)-Butyryl]-Pyrrolidine-2-Carboxylic Acid(1,2,3,4-Tetrahydro-Naphthalen-1-Yl)-Amide
http://www.opentox.org/api/1.1#IUPACName
(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCC2=C1C=CC=C2)C(C)(C)C
http://www.opentox.org/api/1.1#ChemicalName
Je-2147, Ag1776, Kni-764
http://www.opentox.org/api/1.1#IUPACName
(4R)-3-[(2S,3R)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
http://www.opentox.org/api/1.1#SMILES
CC1=CC=CC=C1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@@H](CC1=CC=CC=C1)NC(=O)C1=CC=CC(O)=C1C
http://www.opentox.org/api/1.1#ChemicalName
RB106
http://www.opentox.org/api/1.1#IUPACName
(2S,5R)-5-phenyl-1-{2-[(2S)-3-phenyl-2-sulfanylpropanamido]acetyl}pyrrolidine-2-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)CC1=CC=CC=C1)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
(4ar,6s,8ar)-11-[8-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Octyl]-6-Hydroxy-3-Methoxy-5,6,9,10-Tetrahydro-4ah-[1]Benzofuro[3a,3,2-Ef][2]Benzazepin-11-Ium
http://www.opentox.org/api/1.1#IUPACName
(1R,12R,14S)-4-[8-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)octyl]-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.0^{1,12}.0^{6,17}]heptadeca-4,6,8,10(17),15-pentaen-4-ium
http://www.opentox.org/api/1.1#SMILES
COC1=CC=C2C=[N+](CCCCCCCCN3C(=O)C4=CC=CC=C4C3=O)CC[C@]34C=C[C@@H](O)C[C@H]3OC1=C24
http://www.opentox.org/api/1.1#ChemicalName
XV638
http://www.opentox.org/api/1.1#IUPACName
3-{[(4S,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-({3-[(1,3-thiazol-2-yl)carbamoyl]phenyl}methyl)-1,3-diazepan-1-yl]methyl}-N-(1,3-thiazol-2-yl)benzamide
http://www.opentox.org/api/1.1#SMILES
O[C@@H]1[C@@H](O)[C@@H](CC2=CC=CC=C2)N(CC2=CC=CC(=C2)C(=O)NC2=NC=CS2)C(=O)N(CC2=CC=CC(=C2)C(=O)NC2=NC=CS2)[C@H]1CC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
(2r,3r,4r,5r)-3,4-Dihydroxy-N,N'-Bis[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-2,5-Bis(2-Phenylethyl)Hexanediamide
http://www.opentox.org/api/1.1#IUPACName
(2S,3R,4R,5S)-3,4-dihydroxy-N,N'-bis[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide
http://www.opentox.org/api/1.1#SMILES
O[C@@H]([C@H](O)[C@H](CCC1=CC=CC=C1)C(=O)N[C@H]1[C@H](O)CC2=CC=CC=C12)[C@H](CCC1=CC=CC=C1)C(=O)N[C@H]1[C@H](O)CC2=CC=CC=C12
http://www.opentox.org/api/1.1#ChemicalName
Mercaptocarboxylate Inhibitor
http://www.opentox.org/api/1.1#IUPACName
(2E)-2-{[(2R)-4-phenyl-2-(sulfanylmethyl)butanoyl]imino}-2-[5-(1H-1,2,3,4-tetrazol-1-ylmethyl)thiophen-2-yl]acetic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)C(=N/C(=O)[C@H](CS)CCC1=CC=CC=C1)\C1=CC=C(CN2C=NN=N2)S1
http://www.opentox.org/api/1.1#ChemicalName
SD146
http://www.opentox.org/api/1.1#IUPACName
N-(1,3-benzodiazol-2-yl)-3-{[(4S,5S,6S,7R)-3-({3-[(1,3-benzodiazol-2-yl)carbamoyl]phenyl}methyl)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl}benzamide
http://www.opentox.org/api/1.1#SMILES
O[C@@H]1[C@@H](O)[C@@H](CC2=CC=CC=C2)N(CC2=CC=CC(=C2)C(=O)Nc2nc3ccccc3n2)C(=O)N(CC2=CC=CC(=C2)C(=O)Nc2nc3ccccc3n2)[C@H]1CC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
CD564
http://www.opentox.org/api/1.1#IUPACName
6-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]naphthalene-2-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CC1(C)CCC(C)(C)C2=C1C=CC(=C2)C(=O)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
N-(R-Carboxy-Ethyl)-Alpha-(S)-(2-Phenylethyl)Glycyl-L-Arginine-N-Phenylamide
http://www.opentox.org/api/1.1#IUPACName
[amino({[(4R)-4-[(2R)-2-{[(1R)-1-carboxyethyl]amino}-4-phenylbutanamido]-4-(phenylcarbamoyl)butyl]amino})methylidene]azanium
http://www.opentox.org/api/1.1#SMILES
C[C@@H](N[C@H](CCC1=CC=CC=C1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)NC1=CC=CC=C1)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
(3r)-3-{[(Benzyloxy)Carbonyl]Amino}-2-Oxo-4-Phenylbutane-1-Diazonium
http://www.opentox.org/api/1.1#IUPACName
(3S)-3-{[(benzyloxy)carbonyl]amino}-2-oxo-4-phenylbutane-1-diazonium
http://www.opentox.org/api/1.1#SMILES
O=C(N[C@@H](CC1=CC=CC=C1)C(=O)C[N+]#N)OCC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
N-[2(S)-Cyclopentyl-1(R)-Hydroxy-3(R)Methyl]-5-[(2(S)-Tertiary-Butylamino-Carbonyl)-4-(N1-(2)-(N-Methylpiperazinyl)-3-Chloro-Pyrazinyl-5-Carbonyl)-Piperazino]-4(S)-Hydroxy-2(R)-Phenylmethyl-Pentanamide
http://www.opentox.org/api/1.1#IUPACName
(2R)-1-[(2R,4S)-4-benzyl-2-hydroxy-4-{[(1S,2S,5R)-2-hydroxy-5-methylcyclopentyl]carbamoyl}butyl]-N-tert-butyl-4-{[6-chloro-5-(4-methylpiperazin-1-yl)pyrazin-2-yl]carbonyl}piperazine-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
C[C@@H]1CC[C@H](O)[C@H]1NC(=O)[C@H](C[C@@H](O)CN1CCN(C[C@@H]1C(=O)NC(C)(C)C)C(=O)C1=CN=C(N2CCN(C)CC2)C(Cl)=N1)CC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
A-98881
http://www.opentox.org/api/1.1#IUPACName
(5R,6S)-1,5-dibenzyl-6-hydroxy-2,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-1,2,4-triazepan-3-one
http://www.opentox.org/api/1.1#SMILES
COC1=CC(CN2[C@H](CC3=CC=CC=C3)[C@@H](O)CN(CC3=CC=CC=C3)N(CC3=CC=C(O)C(OC)=C3)C2=O)=CC=C1O
http://www.opentox.org/api/1.1#ChemicalName
Soraphen A
http://www.opentox.org/api/1.1#IUPACName
(1S,2S,5S,10S,11R,12E,14S,15S,16R,17R,18S)-1,17-dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one
http://www.opentox.org/api/1.1#SMILES
CO[C@H]1[C@H](O)[C@@H](C)[C@H]2O[C@@]1(O)[C@H](C)C(=O)O[C@@H](CCCC[C@H](OC)[C@H](OC)\C=C\[C@@H]2C)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
3''-(Beta-Chloroethyl)-2'',4''-Dioxo-3, 5''-Spiro-Oxazolidino-4-Deacetoxy-Vinblastine
http://www.opentox.org/api/1.1#SMILES
CC[C@@]1(O)C[C@@H]2C[N@@](C1)CCc1c(nc3ccccc13)[C@@](C2)(C(=O)OC)C1=CC2=C(C=C1OC)N(C)[C@H]1[C@]3(C[C@@]4(CC)C=CCN5CC[C@@]21[C@@H]45)OC(=O)N(CCCl)C3=O
http://www.opentox.org/api/1.1#ChemicalName
3-Amino-5-Phenylpentane
http://www.opentox.org/api/1.1#IUPACName
(3S)-1-(benzenesulfonyl)-5-phenylpentan-3-amine
http://www.opentox.org/api/1.1#SMILES
N[C@@H](CCC1=CC=CC=C1)CCS(=O)(=O)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
(E)-4-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthylenyl)-1 -propenyl] benzoic acid; Arotinoic acid; Arotinoid acid; CCRIS 3297; Lopac-T-3757; Ro 13-7410; T3757_SIGMA; Tocris-0761
TTNPB
http://www.opentox.org/api/1.1#IUPACName
4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid
http://www.opentox.org/api/1.1#SMILES
C\C(=C/C1=CC=C(C=C1)C(O)=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C
http://www.opentox.org/api/1.1#ChemicalName
FKB-001
http://www.opentox.org/api/1.1#IUPACName
(4S)-1-phenyl-7-(pyridin-3-yl)heptan-4-yl (2S)-1-[2,2-difluoro-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
http://www.opentox.org/api/1.1#SMILES
COC1=CC(=CC(OC)=C1OC)C(F)(F)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCCC1=CC=CC=C1)CCCC1=CN=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
K201
http://www.opentox.org/api/1.1#IUPACName
3-(4-benzylpiperidin-1-yl)-1-(7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-yl)propan-1-one
http://www.opentox.org/api/1.1#SMILES
COC1=CC2=C(SCCN(C2)C(=O)CCN2CCC(CC3=CC=CC=C3)CC2)C=C1
http://www.opentox.org/api/1.1#ChemicalName
1-Benzyl-(R)-Propylamine
http://www.opentox.org/api/1.1#IUPACName
(2S)-1-phenylbutan-2-amine
http://www.opentox.org/api/1.1#SMILES
CC[C@H](N)CC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
N-(1-Benzyl-3-{[3-(1,3-Dioxo-1,3-Dihydro-Isoindol-2-Yl)-Propionyl]-[2-(Hexahydro-Benzo[1,3]Dioxol-5-Yl)-Ethyl]-Amino}-2-Hydroxy-Propyl)-4-Benzyloxy-3,5-Dimethoxy-Benzamide
http://www.opentox.org/api/1.1#IUPACName
N-{2-[(3aS,5R,7aR)-hexahydro-2H-1,3-benzodioxol-5-yl]ethyl}-N-[(2S,3S)-3-{[4-(benzyloxy)-3,5-dimethoxyphenyl]formamido}-2-hydroxy-4-phenylbutyl]-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamide
http://www.opentox.org/api/1.1#SMILES
COC1=CC(=CC(OC)=C1OCC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC[C@H]1CC[C@H]2OCO[C@H]2C1)C(=O)CCN1C(=O)C2=CC=CC=C2C1=O
http://www.opentox.org/api/1.1#ChemicalName
3-({5-Benzyl-6-Hydroxy-2,4-Bis-(4-Hydroxy-Benzyl)-3-Oxo-[1,2,4]-Triazepane-1-Sulfonyl)-Benzonitrile
http://www.opentox.org/api/1.1#IUPACName
3-[(5R,6R)-5-benzyl-6-hydroxy-2,4-bis[(4-hydroxyphenyl)methyl]-3-oxo-1,2,4-triazepane-1-sulfonyl]benzonitrile
http://www.opentox.org/api/1.1#SMILES
O[C@@H]1CN(N(CC2=CC=C(O)C=C2)C(=O)N(CC2=CC=C(O)C=C2)[C@@H]1CC1=CC=CC=C1)S(=O)(=O)C1=CC=CC(=C1)C#N
http://www.opentox.org/api/1.1#ChemicalName
Phenylalanylmethane
http://www.opentox.org/api/1.1#IUPACName
3-amino-4-phenylbutan-2-one
http://www.opentox.org/api/1.1#SMILES
CC(=O)C(N)CC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
4-Methoxy-E-Rhodomycin T
http://www.opentox.org/api/1.1#IUPACName
methyl (1S,2R,4S)-4-{[(2S,4S,5R,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
http://www.opentox.org/api/1.1#SMILES
CC[C@@]1(O)C[C@H](O[C@@H]2C[C@@H]([C@@H](O)[C@H](C)O2)N(C)C)C2=C(O)C3=C(C(O)=C2[C@@H]1C(=O)OC)C(=O)C1=CC=CC(OC)=C1C3=O
http://www.opentox.org/api/1.1#ChemicalName
11-Deoxy-Beta-Rhodomycin
http://www.opentox.org/api/1.1#IUPACName
(7S,8R,10S)-10-{[(2R,4R,5S,6R)-4-(dimethylamino)-5-{[(2S,4R,5R,6R)-4-hydroxy-6-methyl-5-{[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-8-ethyl-1,7,8,11-tetrahydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
http://www.opentox.org/api/1.1#SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([C@H](O[C@H]3C[C@@H](O)[C@@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)N(C)C)C2=C(O)C3=C(C=C2[C@@H]1O)C(=O)C1=CC=CC(O)=C1C3=O
http://www.opentox.org/api/1.1#ChemicalName
FR233623
http://www.opentox.org/api/1.1#IUPACName
1-[(3R,4S)-4-hydroxy-1-(naphthalen-1-yl)pentan-3-yl]-1H-imidazole-4-carboxamide
http://www.opentox.org/api/1.1#SMILES
C[C@H](O)[C@@H](CCC1=CC=CC2=C1C=CC=C2)N1C=NC(=C1)C(N)=O
http://www.opentox.org/api/1.1#ChemicalName
4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid
http://www.opentox.org/api/1.1#IUPACName
({4-[(10R,11E,14S,18S)-18-(carbamoylmethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl}methyl)phosphonic acid
http://www.opentox.org/api/1.1#SMILES
NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@H](CNC1=O)CC1=CC=CC2=CC=CC=C12)C1=CC=C(C=C1)CP(O)(O)=O
http://www.opentox.org/api/1.1#ChemicalName
FR239087
http://www.opentox.org/api/1.1#IUPACName
1-[(3R,4S)-1-(2,3-dichlorophenyl)-4-hydroxypentan-3-yl]-1H-imidazole-4-carboxamide
http://www.opentox.org/api/1.1#SMILES
C[C@H](O)[C@@H](CCC1=CC=CC(Cl)=C1Cl)N1C=NC(=C1)C(N)=O
http://www.opentox.org/api/1.1#ChemicalName
Bestatin
http://www.opentox.org/api/1.1#IUPACName
(2R)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido]-4-methylpentanoic acid
http://www.opentox.org/api/1.1#SMILES
CC(C)C[C@@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
BMS184394
http://www.opentox.org/api/1.1#IUPACName
6-[(S)-hydroxy(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]naphthalene-2-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@@H](O)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
6-Phenyl-4(R)-(7-Phenyl-Heptanoylamino)-Hexanoic Acid
http://www.opentox.org/api/1.1#IUPACName
(4S)-6-phenyl-4-(7-phenylheptanamido)hexanoic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)CC[C@H](CCC1=CC=CC=C1)NC(=O)CCCCCCC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
5,10-Dimethylene Tetrahydromethanopterin
http://www.opentox.org/api/1.1#IUPACName
(2S)-2-[({[(2R,3S,4S,5S)-5-{[(2R,3R,4R)-5-{4-[(6R,6aS,7S)-3-amino-6,7-dimethyl-1-oxo-1H,2H,5H,6H,6aH,7H,8H,9H-imidazolidino[1,5-f]pteridin-8-yl]phenyl}-2,3,4-trihydroxypentyl]oxy}-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]pentanedioic acid
http://www.opentox.org/api/1.1#SMILES
C[C@H]1[C@@H]2[C@@H](C)NC3=C(N2CN1C1=CC=C(C[C@@H](O)[C@@H](O)[C@H](O)CO[C@H]2O[C@H](CO[P@@](O)(=O)O[C@@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@@H]2O)C=C1)C(=O)NC(N)=N3
http://www.opentox.org/api/1.1#ChemicalName
Equilenin
http://www.opentox.org/api/1.1#IUPACName
(11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),2,4,6,8-pentaen-14-one
http://www.opentox.org/api/1.1#SMILES
C[C@]12CCC3=C(C=CC4=C3C=CC(O)=C4)[C@@H]1CCC2=O
http://www.opentox.org/api/1.1#ChemicalName
10-CF3C(OH)2-DDACTHF
Hydrolyzed Form of 10-trifluoroacetyl-5,10-dideaza-acyclic-5,6,7,8-tetrahydrofolic acid
http://www.opentox.org/api/1.1#IUPACName
(2R)-2-({4-[(3S)-6-[(2R,4S,5R)-2,4-diamino-6-oxo-1,3-diazinan-5-yl]-1,1,1-trifluoro-2,2-dihydroxyhexan-3-yl]phenyl}formamido)pentanedioic acid
http://www.opentox.org/api/1.1#SMILES
N[C@@H]1N[C@H](N)[C@@H](CCC[C@@H](C2=CC=C(C=C2)C(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)(O)C(F)(F)F)C(=O)N1
http://www.opentox.org/api/1.1#ChemicalName
FR230513
http://www.opentox.org/api/1.1#IUPACName
1-[(2R)-1-hydroxy-4-(naphthalen-1-yl)butan-2-yl]-1H-imidazole-4-carboxamide
http://www.opentox.org/api/1.1#SMILES
NC(=O)C1=CN(C=N1)[C@@H](CO)CCC1=CC=CC2=C1C=CC=C2
http://www.opentox.org/api/1.1#ChemicalName
WRR-99
http://www.opentox.org/api/1.1#IUPACName
(3S)-3-hydroxy-3-{[(1R)-1-[(3-methylbutyl)carbamoyl]-3-phenylpropyl]carbamoyl}propanoic acid
http://www.opentox.org/api/1.1#SMILES
CC(C)CCNC(=O)[C@@H](CCC1=CC=CC=C1)NC(=O)[C@@H](O)CC(O)=O
http://www.opentox.org/api/1.1#ChemicalName
1-(1-Phenylcyclohexyl)piperidine; 1-(1-Phenylcyclohexyl)piperidine hydrochloride; Angel dust; Busy bee; Cadillac; CJS; Crystal; DUST; Elephant tranquilizer; Fenciclidina [inn-spanish]; Magic mist; Phencyclidine hydrochloride; Phencyclidinum [inn-latin]; Phenylcyclidine hydrochloride; Rocket fuel; Sernyl; Sernylan; Stardust; Supergrass; Surfer; TIC; Trank; Tranks; Whack; Zombie dust
Phencyclidine
phencyclidine
http://www.opentox.org/api/1.1#IUPACName
1-(1-phenylcyclohexyl)piperidine
http://www.opentox.org/api/1.1#SMILES
C1CC(CCC1)(c2ccccc2)N3CCCCC3
C1CCN(CC1)C1(CCCCC1)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
5,10-Dideazatetrahydrofolic Acid
http://www.opentox.org/api/1.1#IUPACName
(2R)-2-[(4-{2-[(6S)-2-amino-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-6-yl]ethyl}phenyl)formamido]pentanedioic acid
http://www.opentox.org/api/1.1#SMILES
NC1=NC(=O)C2=C(NC[C@@H](CCC3=CC=C(C=C3)C(=O)N[C@H](CCC(O)=O)C(O)=O)C2)N1
http://www.opentox.org/api/1.1#ChemicalName
WRR-112
http://www.opentox.org/api/1.1#IUPACName
(3S)-3-hydroxy-3-{[(1S)-1-[(3-methylbutyl)carbamoyl]-3-phenylpropyl]carbamoyl}propanoic acid
http://www.opentox.org/api/1.1#SMILES
CC(C)CCNC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)[C@@H](O)CC(O)=O
http://www.opentox.org/api/1.1#ChemicalName
Methyl-[4-(4-Piperidine-1-Ylmethyl-Phenyl)-Cyclohexyl]-Carbaminic Acid-(4-Chlorophenyl)-Ester
http://www.opentox.org/api/1.1#IUPACName
4-chlorophenyl N-methyl-N-[(1r,4r)-4-[4-(piperidin-1-ylmethyl)phenyl]cyclohexyl]carbamate
http://www.opentox.org/api/1.1#SMILES
CN([C@H]1CC[C@@H](CC1)C1=CC=C(CN2CCCCC2)C=C1)C(=O)OC1=CC=C(Cl)C=C1
http://www.opentox.org/api/1.1#ChemicalName
N-[2-Hydroxy-2-(8-Isopropyl-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-11-Yl)-Ethyl]-N-(3-Methyl-Butyl)-Benzenesulfonamide,Inhibitor 3
http://www.opentox.org/api/1.1#IUPACName
(2R)-2-[(8S,11S)-6,9-dioxo-8-(propan-2-yl)-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-hydroxy-N-(3-methylbutyl)-S-phenylethane-1-sulfonamido
http://www.opentox.org/api/1.1#SMILES
CC(C)CCN(C[C@@H](O)[C@@H]1CC2=CC=C(OCCCC(=O)N[C@@H](C(C)C)C(=O)N1)C=C2)S(=O)(=O)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
(3-{3-[[2-Chloro-3-(Trifluoromethyl)Benzyl](2,2-Diphenylethyl)Amino]Propoxy}Phenyl)Acetic Acid
http://www.opentox.org/api/1.1#IUPACName
2-{3-[3-({[2-chloro-3-(trifluoromethyl)phenyl]methyl}[(2S)-2-cyclohexyl-2-phenylethyl]amino)propoxy]phenyl}acetic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)CC1=CC=CC(OCCCN(C[C@@H](C2CCCCC2)C2=CC=CC=C2)CC2=CC=CC(=C2Cl)C(F)(F)F)=C1
http://www.opentox.org/api/1.1#ChemicalName
Morpholine-4-Carboxylic Acid (1-(3-Benzenesulfonyl-1-Phenethylallylcarbamoyl)-3-Methylbutyl)-Amide
http://www.opentox.org/api/1.1#IUPACName
(2R)-N-[(1E,3R)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methyl-2-{[(E)-(morpholin-4-yl)carbonyl]amino}pentanamide
http://www.opentox.org/api/1.1#SMILES
C(C)(C)C[C@H](C(=O)N[C@H](CCC1=CC=CC=C1)\C=C\S(=O)(=O)C1=CC=CC=C1)NC(=O)N1CCOCC1
http://www.opentox.org/api/1.1#ChemicalName
Cis-4-Cyano-4-[3-(Cyclopentyloxy)-4-Methoxyphenyl]Cyclohexanecarboxylic Acid
http://www.opentox.org/api/1.1#IUPACName
(1r,4r)-4-cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexane-1-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
COC1=CC=C(C=C1OC1CCCC1)[C@@]1(CC[C@@H](CC1)C(O)=O)C#N
http://www.opentox.org/api/1.1#ChemicalName
N-Butyl-11-[(7r,8r,9s,13s,14s,17s)-3,17-Dihydroxy-13-Methyl-7,8,9,11,12,13,14,15,16,17-Decahydro-6h-Cyclopenta[a]Phenanthren-7-Yl]-N-Methylundecanamide
http://www.opentox.org/api/1.1#IUPACName
N-butyl-11-[(1S,9R,10R,11S,14R,15S)-5,14-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-9-yl]-N-methylundecanamide
http://www.opentox.org/api/1.1#SMILES
CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1CC2=CC(O)=CC=C2[C@H]2CC[C@]3(C)[C@H](O)CC[C@H]3[C@H]12
http://www.opentox.org/api/1.1#CASRN
1987-50-4
http://www.opentox.org/api/1.1#ChemicalName
4-Heptylphenol
4-n-heptylphenol
Heptanyl-P-Phenol
http://www.opentox.org/api/1.1#IUPACName
4-heptylphenol
http://www.opentox.org/api/1.1#SMILES
CCCCCCCC1=CC=C(O)C=C1
CCCCCCCc1ccc(cc1)O
OC1=CC=C(CCCCCCC)C=C1
Oc1ccc(CCCCCCC)cc1
http://www.opentox.org/api/1.1#ChemicalName
5-Phenylvaleric Acid
5-phenylvaleric acid
http://www.opentox.org/api/1.1#IUPACName
5-phenylpentanoic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)CCCCC1=CC=CC=C1
c1ccc(cc1)CCCCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
Alpha-Amino-2-Indanacetic Acid
http://www.opentox.org/api/1.1#IUPACName
(2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid
http://www.opentox.org/api/1.1#SMILES
N[C@@H](C1CC2=CC=CC=C2C1)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
Nogalaviketone
http://www.opentox.org/api/1.1#IUPACName
methyl 5,7-dihydroxy-2-methyl-4,6,11-trioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate
http://www.opentox.org/api/1.1#SMILES
COC(=O)C1=C(C)CC(=O)C2=C(O)C3=C(C=C12)C(=O)C1=CC=CC(O)=C1C3=O
http://www.opentox.org/api/1.1#ChemicalName
Apstatin
http://www.opentox.org/api/1.1#IUPACName
(2S)-2-{[(2S)-1-{[(2S)-1-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}propanamide
http://www.opentox.org/api/1.1#SMILES
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(N)=O
http://www.opentox.org/api/1.1#ChemicalName
10-(4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydro-Pyran-2-Yloxy)-8-Ethyl-1,8,11-Trihydroxy-7,8,9,10-Tetrahydro-Naphthacene-5,12-Dione
http://www.opentox.org/api/1.1#IUPACName
(8S,10S)-10-{[(2S,4S,5R,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-8-ethyl-1,8,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
http://www.opentox.org/api/1.1#SMILES
CC[C@@]1(O)C[C@H](O[C@@H]2C[C@@H]([C@@H](O)[C@H](C)O2)N(C)C)C2=C(O)C3=C(C=C2C1)C(=O)C1=CC=CC(O)=C1C3=O
http://www.opentox.org/api/1.1#ChemicalName
N'-(Pyrrolidino[2,1-B]Isoindolin-4-On-8-Yl)-N-(Pyridin-2-Yl)Urea
http://www.opentox.org/api/1.1#IUPACName
3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl]-1-(pyridin-2-yl)urea
http://www.opentox.org/api/1.1#SMILES
O=C(NC1=CC=CC=N1)NC1=CC=CC2=C1[C@H]1CCCN1C2=O
http://www.opentox.org/api/1.1#ChemicalName
Skf 107457
http://www.opentox.org/api/1.1#IUPACName
methyl (2S)-2-[(2S)-2-[(4S,5S)-5-[(2R)-2-[(2S)-2-aminopropanamido]propanamido]-4-hydroxy-6-phenylhexanamido]-3-methylbutanamido]-3-methylbutanoate
http://www.opentox.org/api/1.1#SMILES
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C
http://www.opentox.org/api/1.1#ChemicalName
(-)-Matairesinol; (alphaR,betaR)-alpha,beta-Bis(4-hydroxy-3-methoxybenzyl)butyrolactone; 3R,4R-Bis((4-hydroxy-3-methoxyphenyl)methyl)dihydro-2(3H)-furanone; Artigenin congener; Dibenzylbutyrolactone lignanolide
Matairesinol
http://www.opentox.org/api/1.1#IUPACName
(3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
http://www.opentox.org/api/1.1#SMILES
COC1=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC=C(O)C(OC)=C2)=CC=C1O
http://www.opentox.org/api/1.1#ChemicalName
[(4-{4-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Butyl}-Phenyl)-Difluoro-Methyl]-Phosphonic Acid
http://www.opentox.org/api/1.1#IUPACName
{[4-(4-{4-[difluoro(phosphono)methyl]phenyl}butyl)phenyl]difluoromethyl}phosphonic acid
http://www.opentox.org/api/1.1#SMILES
OP(O)(=O)C(F)(F)C1=CC=C(CCCCC2=CC=C(C=C2)C(F)(F)P(O)(O)=O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
1,2-Hydro-1-Oxy-3,4-Hydro-3-(1-Methoxy-2-Oxy-3,4-Dihydroxypentyl)-8,9-Dihydroxy-7-(Sec-Butyl)-Anthracene
DXA
http://www.opentox.org/api/1.1#IUPACName
(3R)-7-[(2R)-butan-2-yl]-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-8,9-dihydroxy-1,2,3,4-tetrahydroanthracen-1-one
http://www.opentox.org/api/1.1#SMILES
CC[C@@H](C)C1=C(O)C2=C(O)C3=C(C[C@H](CC3=O)[C@H](OC)C(=O)[C@@H](O)[C@@H](C)O)C=C2C=C1
http://www.opentox.org/api/1.1#ChemicalName
1-[2-(3-Biphenyl)-4-Methylvaleryl)]Amino-3-(2-Pyridylsulfonyl)Amino-2-Propanone
http://www.opentox.org/api/1.1#IUPACName
(2R)-N-[(2S)-2-hydroxy-3-(pyridine-2-sulfonamido)propyl]-4-methyl-2-(3-phenylphenyl)pentanamide
http://www.opentox.org/api/1.1#SMILES
CC(C)C[C@@H](C(=O)NC[C@H](O)CNS(=O)(=O)C1=CC=CC=N1)C1=CC=CC(=C1)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
2-Hydroxy-3-Amino-4-Phenyl Butane
http://www.opentox.org/api/1.1#IUPACName
(2S,3R)-3-amino-4-phenylbutan-2-ol
http://www.opentox.org/api/1.1#SMILES
C[C@H](O)[C@H](N)CC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
2-[4-(4-Chlorophenyl)Cyclohexylidene]-3,4-Dihydroxy-1(2h)-Naphthalenone
http://www.opentox.org/api/1.1#IUPACName
2-[4-(4-chlorophenyl)cyclohexylidene]-3,4-dihydroxy-1,2-dihydronaphthalen-1-one
http://www.opentox.org/api/1.1#SMILES
OC1=C(O)C(=C2CCC(CC2)C2=CC=C(Cl)C=C2)C(=O)C2=C1C=CC=C2
http://www.opentox.org/api/1.1#ChemicalName
{4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid
http://www.opentox.org/api/1.1#IUPACName
({4-[(2S,4E)-2-(1,3-benzothiazol-2-yl)-2-(1H-1,2,3-benzotriazol-1-yl)-5-phenylpent-4-en-1-yl]phenyl}difluoromethyl)phosphonic acid
http://www.opentox.org/api/1.1#SMILES
C(=C/C1=CC=CC=C1)\C[C@](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)(C1=NC2=C(C=CC=C2)S1)N1N=NC2=C1C=CC=C2
http://www.opentox.org/api/1.1#ChemicalName
(S)-5-(4-Benzyloxy-Phenyl)-4-(7-Phenyl-Heptanoylamino)-Pentanoic Acid
http://www.opentox.org/api/1.1#IUPACName
(4R)-5-[4-(benzyloxy)phenyl]-4-(7-phenylheptanamido)pentanoic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)CC[C@H](CC1=CC=C(OCC2=CC=CC=C2)C=C1)NC(=O)CCCCCCC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
3-(4-Amino-2-Tert-Butyl-5-Methyl-Phenylsulfanyl)-6-Cyclopentyl-4-Hydroxy-6-[2-(4-Hydroxy-Phenyl)-Ethyl]-5,6-Dihydro-Pyran-2-One
http://www.opentox.org/api/1.1#IUPACName
(6S)-3-[(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl]-6-cyclopentyl-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-5,6-dihydro-2H-pyran-2-one
http://www.opentox.org/api/1.1#SMILES
CC1=CC(SC2=C(O)C[C@](CCC3=CC=C(O)C=C3)(OC2=O)C2CCCC2)=C(C=C1N)C(C)(C)C
http://www.opentox.org/api/1.1#ChemicalName
4-Phenylbutylamine
http://www.opentox.org/api/1.1#IUPACName
4-phenylbutan-1-amine
http://www.opentox.org/api/1.1#SMILES
NCCCCC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
1-Benzyloxycarbonylamino-2-Phenyl-Ethyl)-{2-[1-Carbamoyl-2-(1h-Indol-3-Yl)-Ethylcarbamoyl]-5-Phenyl-Pentyl}-Phosphinic Acid
http://www.opentox.org/api/1.1#IUPACName
[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl][(2R)-2-{[(1R)-1-carbamoyl-2-(indol-3-yl)ethyl]carbamoyl}-2-(3-phenylpropyl)ethyl]phosphinic acid
http://www.opentox.org/api/1.1#SMILES
NC(=O)[C@@H](Cc1cnc2ccccc12)NC(=O)[C@@H](CCCC1=CC=CC=C1)C[P@@](O)(=O)[C@@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
LY249543
http://www.opentox.org/api/1.1#IUPACName
(2R)-2-[(4-{2-[(6R)-2-amino-4-hydroxy-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-6-yl]ethyl}phenyl)formamido]pentanedioic acid
http://www.opentox.org/api/1.1#SMILES
NC1=NC(O)=C2C[C@@H](CCC3=CC=C(C=C3)C(=O)N[C@H](CCC(O)=O)C(O)=O)CNC2=N1
http://www.opentox.org/api/1.1#ChemicalName
Bilh 434
http://www.opentox.org/api/1.1#IUPACName
(2S,3'S,4'S,5'S)-5'-(3,4-dichlorophenyl)-6-methyl-1,3-dioxo-4'-{[4-(1,2,3-thiadiazol-4-yl)phenyl]carbamoyl}-1,3-dihydrospiro[indene-2,2'-oxolane]-3'-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CC1=CC=C2C(=O)[C@]3(O[C@@H]([C@H]([C@@H]3C(O)=O)C(=O)NC3=CC=C(C=C3)C3=CSN=N3)C3=CC=C(Cl)C(Cl)=C3)C(=O)C2=C1
http://www.opentox.org/api/1.1#ChemicalName
{(1s)-1-Benzyl-4-[3-Carbamoyl-1-(1-Carbamoyl-2-Phenyl-Ethylcarbamoyl)-(S)-Propylcarbamoyl]-2-Oxo-5-Phenyl-Pentyl}-Carbamic Acid Tert-Butyl Ester
http://www.opentox.org/api/1.1#IUPACName
tert-butyl N-[(2S,5R)-5-benzyl-5-{[(1S)-3-carbamoyl-1-{[(1R)-1-carbamoyl-2-phenylethyl]carbamoyl}propyl]carbamoyl}-3-oxo-1-phenylpentan-2-yl]carbamate
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC1=CC=CC=C1)C(N)=O
http://www.opentox.org/api/1.1#ChemicalName
4-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide
http://www.opentox.org/api/1.1#IUPACName
N-[(2S,3S,5S)-5-[(3-aminophenyl)formamido]-3-hydroxy-7-methyl-1-phenyloctan-2-yl]-2-(2,6-dimethylphenoxy)acetamide
http://www.opentox.org/api/1.1#SMILES
CC(C)C[C@@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)NC(=O)C1=CC=CC(N)=C1
http://www.opentox.org/api/1.1#ChemicalName
3-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide
http://www.opentox.org/api/1.1#IUPACName
N-[(2S,3S,5S)-5-[(4-aminophenyl)formamido]-3-hydroxy-7-methyl-1-phenyloctan-2-yl]-2-(2,6-dimethylphenoxy)acetamide
http://www.opentox.org/api/1.1#SMILES
CC(C)C[C@@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)NC(=O)C1=CC=C(N)C=C1
http://www.opentox.org/api/1.1#ChemicalName
Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone]
http://www.opentox.org/api/1.1#IUPACName
(3R)-3-{[(3S)-2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-yl]methyl}-3,4-dihydro-2H-1-benzopyran-2,4-dione
http://www.opentox.org/api/1.1#SMILES
O=C1OC2=CC=CC=C2C(=O)[C@@H]1C[C@H]1C(=O)OC2=C(C=CC=C2)C1=O
http://www.opentox.org/api/1.1#ChemicalName
2-[2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethyl]-4-(4'-Ethoxy-1,1'-Biphenyl-4-Yl)-4-Oxobutanoic Acid
http://www.opentox.org/api/1.1#IUPACName
(2R)-2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-4-[4-(4-ethoxyphenyl)phenyl]-4-oxobutanoic acid
http://www.opentox.org/api/1.1#SMILES
CCOC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)C[C@@H](CCN1C(=O)C2=CC=CC=C2C1=O)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
3-Amino-1-Chloro-4-Phenyl-Butanol-2-Yl
http://www.opentox.org/api/1.1#IUPACName
(2R,3S)-3-amino-1-chloro-4-phenylbutan-2-ol
http://www.opentox.org/api/1.1#SMILES
N[C@@H](CC1=CC=CC=C1)[C@@H](O)CCl
http://www.opentox.org/api/1.1#ChemicalName
RPR128515
http://www.opentox.org/api/1.1#IUPACName
methyl (2R,3R)-3-({4-[3-(aminomethyl)phenyl]phenyl}formamido)-2-[(3-carbamimidoylphenyl)methyl]butanoate
http://www.opentox.org/api/1.1#SMILES
COC(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)[C@@H](C)NC(=O)C1=CC=C(C=C1)C1=CC=CC(CN)=C1
http://www.opentox.org/api/1.1#ChemicalName
3-[[N-[4-Methyl-Piperazinyl]Carbonyl]-Phenylalaninyl-Amino]-5-Phenyl-Pentane-1-Sulfonic Acid Benzyloxy-Amide
http://www.opentox.org/api/1.1#IUPACName
(2R)-N-[(3R)-1-[(benzyloxy)sulfamoyl]-5-phenylpentan-3-yl]-2-{[(4-methylpiperazin-1-yl)carbonyl]amino}-3-phenylpropanamide
http://www.opentox.org/api/1.1#SMILES
CN1CCN(CC1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CCC1=CC=CC=C1)CCS(=O)(=O)NOCC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
N-1,2,3,4-Tetrahydronaphth-1-Yl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine
http://www.opentox.org/api/1.1#IUPACName
N-[(2R,3R,4R,5S)-4-hydroxy-5-(hydroxymethyl)-2-(6-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino}-9H-purin-9-yl)oxolan-3-yl]-3,5-dimethoxybenzamide
http://www.opentox.org/api/1.1#SMILES
COC1=CC(=CC(OC)=C1)C(=O)N[C@@H]1[C@@H](O)[C@H](CO)O[C@H]1N1C=NC2=C1N=CN=C2N[C@@H]1CCCC2=CC=CC=C12
http://www.opentox.org/api/1.1#ChemicalName
WRR-204
http://www.opentox.org/api/1.1#IUPACName
benzyl N-[(1S)-1-{[(3R)-1-(phenoxysulfonyl)-5-phenylpentan-3-yl]carbamoyl}-2-phenylethyl]carbamate
http://www.opentox.org/api/1.1#SMILES
O=C(N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](CCC1=CC=CC=C1)CCS(=O)(=O)OC1=CC=CC=C1)OCC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
N-Methylnaloxonium
http://www.opentox.org/api/1.1#IUPACName
(1S,4S,5R,13R,17S)-10,17-dihydroxy-4-methyl-14-oxo-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-4-ium
http://www.opentox.org/api/1.1#SMILES
C[N@@+]1(CC=C)CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@]2(O)CCC4=O)=C35
http://www.opentox.org/api/1.1#CASRN
50-27-1
http://www.opentox.org/api/1.1#ChemicalName
(16α,17β)-estra-1,3,5(10)-triene-3,16,17-triol; 16-alpha-Hydroxyestradiol; 16alpha-hydroxyestradiol; 16α-hydroxyestradiol; Oestriol
Estriol
http://www.opentox.org/api/1.1#IUPACName
(16alpha,17beta)-estra-1,3,5(10)-triene-3,16,17-triol
(1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,13,14-triol
http://www.opentox.org/api/1.1#SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O)[C@@H]2O
Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)[C@H](O)C[C@@H]12)c4cc3
[C@]12([C@]([C@@]3(CCC4=C([C@@](CC1)3[H])C=CC(O)=C4)[H])(C[C@H]([C@H]2O)O)[H])C
http://www.opentox.org/api/1.1#ChemicalName
Estropipate
Estropipate (usp); OGEN; Ogen (TN); Ogen 2.5
http://www.opentox.org/api/1.1#IUPACName
[(1S,10R,11S,15S)-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl]oxidanesulfonic acid
http://www.opentox.org/api/1.1#SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OS(O)(=O)=O)=C4)[C@@H]1CCC2=O
http://www.opentox.org/api/1.1#ChemicalName
1-(1-PHENYLCYCLOPENTYL)METHANAMINE; 1-Phenylcyclopentanemethylamine; C-(1-Phenyl-cyclopentyl)-methylamine
1-(1-phenylcyclopentyl)methylamine
http://www.opentox.org/api/1.1#IUPACName
(1-phenylcyclopentyl)methanamine
http://www.opentox.org/api/1.1#SMILES
NCC1(CCCC1)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
(S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
http://www.opentox.org/api/1.1#IUPACName
(3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
http://www.opentox.org/api/1.1#SMILES
N[C@@H](CC(=O)N1CC2=CC=CC=C2C[C@H]1C(N)=O)CC1=CC=CC=C1F
http://www.opentox.org/api/1.1#ChemicalName
INHIBITOR Q8467 OF DUPONT MERCK
http://www.opentox.org/api/1.1#IUPACName
3-{[(4R,5S,6S,7R)-4,7-dibenzyl-3-(cyclopropylmethyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl}-N-(1,3-thiazol-2-yl)benzamide
http://www.opentox.org/api/1.1#SMILES
O[C@@H]1[C@@H](O)[C@@H](CC2=CC=CC=C2)N(CC2=CC(=CC=C2)C(=O)NC2=NC=CS2)C(=O)N(CC2CC2)[C@@H]1CC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
2-amino-6-hydroxymethyl-7-methyl-7-phenethyl-7,8-dihydro-3h-pteridin-4-one; Analogue of Pterin Substrate
7,8-dihydro-6-hydroxymethyl-7-methyl-7-[2-phenylethyl]-pterin
http://www.opentox.org/api/1.1#IUPACName
(7S)-2-amino-6-(hydroxymethyl)-7-methyl-7-(2-phenylethyl)-3,4,7,8-tetrahydropteridin-4-one
http://www.opentox.org/api/1.1#SMILES
C[C@@]1(CCC2=CC=CC=C2)NC2=C(N=C1CO)C(=O)NC(N)=N2
http://www.opentox.org/api/1.1#ChemicalName
N-METHYLALANYL-3-METHYLVALYL-4-PHENOXY-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE
http://www.opentox.org/api/1.1#IUPACName
(2S,4S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-4-phenoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C12)OC1=CC=CC=C1)C(C)(C)C
http://www.opentox.org/api/1.1#ChemicalName
2-ETHOXYETHYL (2S,3S)-4-((S)-2-BENZYL-3-OXO-4-((3AR,8R,8AS)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D]OXAZOL-8-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE
http://www.opentox.org/api/1.1#IUPACName
2-ethoxyethyl N-[(2S,3S)-4-[(2S)-4-[(3aR,8R,8aS)-2-oxo-2H,3H,3aH,8H,8aH-indeno[1,2-d][1,3]oxazol-8-yl]-2-benzyl-3-oxo-2,3-dihydro-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
http://www.opentox.org/api/1.1#SMILES
CCOCCOC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)C[C@]1(CC2=CC=CC=C2)NC=C([C@@H]2[C@@H]3OC(=O)N[C@@H]3C3=CC=CC=C23)C1=O
http://www.opentox.org/api/1.1#ChemicalName
DERIVATIVE OF AKLANONIC ACID METHYL ESTER (AAME)
http://www.opentox.org/api/1.1#IUPACName
methyl 2-{3-[(1R,3S)-1,3-dihydroxypentyl]-4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl}acetate
http://www.opentox.org/api/1.1#SMILES
CC[C@H](O)C[C@@H](O)C1=C(O)C2=C(C=C1CC(=O)OC)C(=O)C1=CC=CC(O)=C1C2=O
http://www.opentox.org/api/1.1#ChemicalName
CBZ-LEU-LEU-TYR-CH2F
http://www.opentox.org/api/1.1#IUPACName
benzyl N-[(1R,2S)-1-hydroxy-1-{[(1S)-1-{[(2S)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]carbamoyl}-3-methylbutyl]amino}-4-methylpentan-2-yl]carbamate
http://www.opentox.org/api/1.1#SMILES
CC(C)C[C@H](NC(=O)OCC1=CC=CC=C1)[C@@H](O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(C)=O
http://www.opentox.org/api/1.1#ChemicalName
(2S,5R,8S,11R,12S,15S,18S,19S,E)-8-ISOBUTYL-18-((5S,6S)-6-METHOXY-3,5-DIMETHYL-7-PHENYLHEPTYL)-1,2,5,12,15,19-HEXAMETHYL-3,6,9,13,16,20,25-HEPTAOXO-1,4,7,10,14,17,21-HEPTAAZACYCLOPENTACOS-21-ENE-11,22-DICARBOXYLIC ACID
http://www.opentox.org/api/1.1#IUPACName
(2S,5R,8S,11R,12S,15S,18S,19S,21E)-18-[(3R,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylheptyl]-1,2,5,12,15,19-hexamethyl-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacos-21-ene-11,22-dicarboxylic acid
http://www.opentox.org/api/1.1#SMILES
CO[C@@H](CC1=CC=CC=C1)[C@@H](C)C[C@H](C)CC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](C)N(C)C(=O)CC\C(=N/C(=O)[C@H]1C)C(O)=O)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
Octylphenoxy polyethoxyethanol
alkylphenol-hydroxypolyoxyetheylene; Anapoe-305
http://www.opentox.org/api/1.1#IUPACName
1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1,4,7,10-tetraoxadodecan-12-ol
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)CC(C)(C)C1=CC=C(OCCOCCOCCOCCO)C=C1
http://www.opentox.org/api/1.1#ChemicalName
(S)-TETRAHYDROFURAN-3-YL (2S,3S)-4-((S)-4-((1R,3R)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE
http://www.opentox.org/api/1.1#IUPACName
(3S)-oxolan-3-yl N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(1R,3R)-3-(carbamoylmethyl)-2,3-dihydro-1H-inden-1-yl]-3-oxo-2,3-dihydro-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
http://www.opentox.org/api/1.1#SMILES
NC(=O)C[C@H]1C[C@@H](C2=CN[C@](C[C@H](O)[C@H](CC3=CC=CC=C3)NC(=O)O[C@H]3CCOC3)(CC3=CC=CC=C3)C2=O)C2=CC=CC=C12
http://www.opentox.org/api/1.1#ChemicalName
Motuporin
nodularin-V
http://www.opentox.org/api/1.1#IUPACName
(2S,5R,6S,9S,12S,13S,16R)-2-ethyl-12-[(3R,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylheptyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-9-(propan-2-yl)-1,4,8,11,15-pentaazacyclononadecane-5,16-dicarboxylic acid
http://www.opentox.org/api/1.1#SMILES
CC[C@@H]1N(C)C(=O)CC[C@@H](NC(=O)[C@@H](C)[C@H](CC[C@@H](C)C[C@H](C)[C@H](CC2=CC=CC=C2)OC)NC(=O)[C@@H](NC(=O)[C@@H](C)[C@@H](NC1=O)C(O)=O)C(C)C)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
OXIMINOARYLSULFONAMIDE
http://www.opentox.org/api/1.1#IUPACName
(2S)-N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl){4-[(1E)-(hydroxyimino)methyl]benzene}sulfonamido]-1-phenylbutan-2-yl]-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl}butanamide
http://www.opentox.org/api/1.1#SMILES
C(C)(C)CN(C[C@@H](O)[C@@H](NC(=O)[C@H](C(C)C)N1CCN(CC2=CSC(C)=N2)C1=O)CC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C=C1)\C=N\O
http://www.opentox.org/api/1.1#CASRN
1841-19-6
http://www.opentox.org/api/1.1#ChemicalName
Fluspirilene
Fluspirileno [inn-spanish]; Fluspirilenum [inn-latin]
http://www.opentox.org/api/1.1#IUPACName
8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
http://www.opentox.org/api/1.1#SMILES
FC1=CC=C(C=C1)C(CCCN1CCC2(CC1)N(CNC2=O)C1=CC=CC=C1)C1=CC=C(F)C=C1
O=C1C2(CCN(CCCC(C5=CC=C(F)C=C5)C4=CC=C(F)C=C4)CC2)N(C3=CC=CC=C3)CN1
http://www.opentox.org/api/1.1#CASRN
58-46-8
http://www.opentox.org/api/1.1#ChemicalName
Tetra benazin; Tetrabenazina [inn-spanish]; Tetrabenazinum [inn-latin]; Tetrabenzaine; Tetrabenzine
Tetrabenazine
tetrabenazine
http://www.opentox.org/api/1.1#IUPACName
9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-one
http://www.opentox.org/api/1.1#SMILES
CC(C)CC2CN3CCc1cc(OC)c(OC)cc1C3CC2=O
COC1=C(OC)C=C2C3CC(=O)C(CC(C)C)CN3CCC2=C1
O=C1CC(C(C=C3OC)=C(C=C3OC)CC2)N2CC1CC(C)C
http://www.opentox.org/api/1.1#ChemicalName
Nebivolol
Nebivololum [latin]
http://www.opentox.org/api/1.1#IUPACName
1-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-{[2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyethyl]amino}ethan-1-ol
http://www.opentox.org/api/1.1#SMILES
OC(CNCC(O)C1CCC2=C(O1)C=CC(F)=C2)C1CCC2=C(O1)C=CC(F)=C2
http://www.opentox.org/api/1.1#ChemicalName
Voacamine
Voacanginine; Vocamine
http://www.opentox.org/api/1.1#IUPACName
methyl (1S,15S,17S,18S)-17-ethyl-6-[(1R,12R,14R,15E)-15-ethylidene-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0^{3,11}.0^{4,9}]octadeca-3(11),4,6,8-tetraen-12-yl]-7-methoxy-3,13-diazapentacyclo[13.3.1.0^{2,10}.0^{4,9}.0^{13,18}]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
http://www.opentox.org/api/1.1#SMILES
CC[C@H]1C[C@@H]2CN3CCC4=C(NC5=CC([C@H]6C[C@@H]7C([C@@H](CC8=C6NC6=CC=CC=C86)N(C)C\C7=C\C)C(=O)OC)=C(OC)C=C45)[C@](C2)([C@H]13)C(=O)OC
http://www.opentox.org/api/1.1#ChemicalName
(-)-milnacipran; Midalcipran; Milnacipranum [latin]
Milnacipran
http://www.opentox.org/api/1.1#IUPACName
(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
http://www.opentox.org/api/1.1#SMILES
CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)C1=CC=CC=C1
http://www.opentox.org/api/1.1#CASRN
94497-51-5
http://www.opentox.org/api/1.1#ChemicalName
Am 80; retinobenzoic acid
Tamibarotene
http://www.opentox.org/api/1.1#IUPACName
4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid
http://www.opentox.org/api/1.1#SMILES
CC1(C)CCC(C)(C)C2=C1C=CC(NC(=O)C1=CC=C(C=C1)C(O)=O)=C2
O=C(C3=CC=C(C(O)=O)C=C3)NC1=CC2=C(C(C)(C)CCC(C)2C)C=C1
http://www.opentox.org/api/1.1#CASRN
33159-27-2
http://www.opentox.org/api/1.1#ChemicalName
Ecabet
http://www.opentox.org/api/1.1#IUPACName
(1R,4aS,10aR)-1,4a-dimethyl-7-(propan-2-yl)-6-sulfo-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
12-sulfoabieta-8(14),9(11),12-trien-18-oic acid
http://www.opentox.org/api/1.1#SMILES
CC(C)C1=C(C=C2C(CC[C@H]3[C@@](C)(CCC[C@]23C)C(O)=O)=C1)S(O)(=O)=O
OS(C1=C(C(C)C)C=C3C([C@@]2(C)CCC[C@]([C@@](O)=O)(C)[C@@]([H])2CC3)=C1)(=O)=O
http://www.opentox.org/api/1.1#ChemicalName
Rotigotine
http://www.opentox.org/api/1.1#IUPACName
6-{propyl[2-(thiophen-2-yl)ethyl]amino}-5,6,7,8-tetrahydronaphthalen-1-ol
http://www.opentox.org/api/1.1#SMILES
CCCN(CCC1=CC=CS1)C1CCC2=C(C1)C=CC=C2O
http://www.opentox.org/api/1.1#ChemicalName
CS-747
Prasugrel
http://www.opentox.org/api/1.1#IUPACName
5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-2-yl acetate
http://www.opentox.org/api/1.1#SMILES
CC(=O)OC1=CC2=C(CCN(C2)C(C(=O)C2CC2)C2=CC=CC=C2F)S1
http://www.opentox.org/api/1.1#ChemicalName
Macrocyclon
Tyloxapol
http://www.opentox.org/api/1.1#ChemicalName
Desvenlafaxine
http://www.opentox.org/api/1.1#IUPACName
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
http://www.opentox.org/api/1.1#SMILES
CN(C)CC(C1=CC=C(O)C=C1)C1(O)CCCCC1
http://www.opentox.org/api/1.1#ChemicalName
Dexmethylphenidate
http://www.opentox.org/api/1.1#IUPACName
methyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
http://www.opentox.org/api/1.1#SMILES
COC(=O)[C@@H]([C@H]1CCCCN1)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
Gadofosveset
Gadofosveset trisodium
http://www.opentox.org/api/1.1#IUPACName
gadolinium(3+) ion trisodium 2-{[1-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)-3-[(4,4-diphenylcyclohexyl phosphonato)oxy]propan-2-yl](carboxylatomethyl)amino}acetate hydrate
http://www.opentox.org/api/1.1#SMILES
O.[Na+].[Na+].[Na+].[Gd+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC(COP([O-])(=O)OC1CCC(CC1)(C1=CC=CC=C1)C1=CC=CC=C1)N(CC([O-])=O)CC([O-])=O
http://www.opentox.org/api/1.1#ChemicalName
Mithramycin
Plicamycin
http://www.opentox.org/api/1.1#IUPACName
(2S,3S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-6-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-8,9-dihydroxy-7-methyl-1,2,3,4-tetrahydroanthracen-1-one
http://www.opentox.org/api/1.1#SMILES
CO[C@@H]([C@@H]1CC2=CC3=CC(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)=C(C)C(O)=C3C(O)=C2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1)C(=O)[C@@H](O)[C@@H](C)O
http://www.opentox.org/api/1.1#ChemicalName
(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide
http://www.opentox.org/api/1.1#IUPACName
(2R)-N-hydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(3-hydroxyphenyl)methyl]butanediamide
http://www.opentox.org/api/1.1#SMILES
ONC(=O)C[C@@H](CC1=CC(O)=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=C1C=CC=C2
http://www.opentox.org/api/1.1#ChemicalName
6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID
http://www.opentox.org/api/1.1#IUPACName
(2R)-6-carbamimidoyl-2-[(1S,2S)-2-hydroxy-6-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-1-yl]hexanoic acid
http://www.opentox.org/api/1.1#SMILES
NC(=N)CCCC[C@H]([C@@H]1[C@@H](O)CC2=C1C=C(C=C2)C1=CC=C(O)C=C1)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID
http://www.opentox.org/api/1.1#IUPACName
(2R)-6-carbamimidoyl-2-[(1S,2S)-2-hydroxy-5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]hexanoic acid
http://www.opentox.org/api/1.1#SMILES
COC1=CC=CC(=C1)C1=CC2=C(C=C1)[C@H]([C@@H](CCCCC(N)=N)C(O)=O)[C@@H](O)C2
http://www.opentox.org/api/1.1#ChemicalName
17-METHYL-17-ALPHA-DIHYDROEQUILENIN
http://www.opentox.org/api/1.1#IUPACName
(11S,14R,15S)-14,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),2,4,6,8-pentaene-5,14-diol
http://www.opentox.org/api/1.1#SMILES
C[C@@]1(O)CC[C@H]2C3=C(CC[C@]12C)C1=CC=C(O)C=C1C=C3
http://www.opentox.org/api/1.1#ChemicalName
N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-4-PHENYL-BUTAN-2-OL
http://www.opentox.org/api/1.1#IUPACName
benzyl N-[(2S)-1-[(2S)-2-{[(2S,3R)-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
http://www.opentox.org/api/1.1#SMILES
C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)OCC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
http://www.opentox.org/api/1.1#IUPACName
(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
http://www.opentox.org/api/1.1#SMILES
CO[C@@H](CC1=CC=CC=C1)[C@@H](C)\C=C(/C)\C=C\[C@H](N)[C@H](C)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
[4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE
http://www.opentox.org/api/1.1#IUPACName
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(prop-2-en-1-yl)-1,3-diazepan-2-one
http://www.opentox.org/api/1.1#SMILES
O[C@@H]1[C@@H](O)[C@@H](CC2=CC=CC=C2)N(CC=C)C(=O)N(CC=C)[C@@H]1CC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE
http://www.opentox.org/api/1.1#IUPACName
1-({2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl}methyl)-1H-imidazole
http://www.opentox.org/api/1.1#SMILES
ClC1=CC=C(CCC2(CN3C=CN=C3)OCCO2)C=C1
http://www.opentox.org/api/1.1#ChemicalName
(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE
http://www.opentox.org/api/1.1#IUPACName
6-{5-[(2S)-2-amino-3-[(3R)-3H-indol-3-yl]propoxy]pyridin-3-yl}isoquinoline
http://www.opentox.org/api/1.1#SMILES
N[C@H](COC1=CN=CC(=C1)C1=CC2=C(C=C1)C=NC=C2)C[C@H]1C=NC2=C1C=CC=C2
http://www.opentox.org/api/1.1#ChemicalName
7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile
http://www.opentox.org/api/1.1#IUPACName
(7aS)-7a-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7a-tetrahydro-1H-pyrrolizine-7-carbonitrile
http://www.opentox.org/api/1.1#SMILES
ClC1=CC(=CC(Cl)=C1)C1=C(C#N)[C@@]2(CC3=CC=C(C=C3)C#N)CCCN2C1=O
http://www.opentox.org/api/1.1#ChemicalName
1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA
http://www.opentox.org/api/1.1#IUPACName
3-[(9bS)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-9-yl]-1-{5-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-3-yl}urea
http://www.opentox.org/api/1.1#SMILES
O=C(NC1=NNC(=C1)[C@@H]1CCCN1)NC1=CC=CC2=C1[C@@H]1CCCN1C2=O
http://www.opentox.org/api/1.1#ChemicalName
5-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-2(1H)-ONE
http://www.opentox.org/api/1.1#IUPACName
5-ethyl-3-[(2-methoxyethyl)(methyl)amino]-6-methyl-4-[(3-methylphenyl)methyl]-1,2-dihydropyridin-2-one
http://www.opentox.org/api/1.1#SMILES
CCC1=C(C)NC(=O)C(N(C)CCOC)=C1CC1=CC=CC(C)=C1
http://www.opentox.org/api/1.1#ChemicalName
N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE
http://www.opentox.org/api/1.1#IUPACName
N-[(5R,14R)-5-amino-5,14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.1^{7,11}]docosa-1(20),7(22),8,10,17(21),18-hexaen-19-yl]-N-methylmethanesulfonamide
http://www.opentox.org/api/1.1#SMILES
C[C@@H]1CCC2=CC(C[C@@](C)(N)C(=O)OCC3=CC(CC1)=NC(=C3)N(C)S(C)(=O)=O)=CC=C2
http://www.opentox.org/api/1.1#ChemicalName
R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
http://www.opentox.org/api/1.1#IUPACName
3-fluoro-4-[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetamido]benzoic acid
http://www.opentox.org/api/1.1#SMILES
CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@@H](O)C(=O)NC1=CC=C(C=C1F)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
http://www.opentox.org/api/1.1#IUPACName
(2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-10-(methoxymethyl)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(13),9,11-trien-12-ol
http://www.opentox.org/api/1.1#SMILES
COCC1=CC(O)=CC2=C1O[C@H]([C@H]1CC(F)(F)C[C@@H]21)C1=CC=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
(4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID
http://www.opentox.org/api/1.1#IUPACName
N-{4-[2-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-3-ethoxy-2-(ethoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid
http://www.opentox.org/api/1.1#SMILES
CCOC(=O)C(CCNC(=O)OC(C)(C)C)(CC1=CC=C(NS(O)(=O)=O)C=C1)C(=O)OCC
http://www.opentox.org/api/1.1#ChemicalName
(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid
http://www.opentox.org/api/1.1#IUPACName
(2S)-2-{[3-({[2-fluoro-4-(trifluoromethyl)phenyl]formamido}methyl)-4-methoxyphenyl]methyl}butanoic acid
http://www.opentox.org/api/1.1#SMILES
CC[C@@H](CC1=CC(CNC(=O)C2=C(F)C=C(C=C2)C(F)(F)F)=C(OC)C=C1)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
(1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE
http://www.opentox.org/api/1.1#IUPACName
(1S,2R,5S)-5-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)cyclohexan-1-amine
http://www.opentox.org/api/1.1#SMILES
N[C@H]1C[C@H](CC[C@@H]1C1=C(F)C=C(F)C(F)=C1)N1CCN2C(C1)=NN=C2C(F)(F)F
http://www.opentox.org/api/1.1#ChemicalName
(2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE
http://www.opentox.org/api/1.1#IUPACName
(3R)-3-amino-1-[(4R)-4-methyl-2-(trifluoromethyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
http://www.opentox.org/api/1.1#SMILES
C[C@H]1N(CCN2N=C(N=C12)C(F)(F)F)C(=O)C[C@H](N)CC1=C(F)C=C(F)C(F)=C1
http://www.opentox.org/api/1.1#ChemicalName
4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
http://www.opentox.org/api/1.1#IUPACName
4-[(1S,2S,5S)-5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
http://www.opentox.org/api/1.1#SMILES
CC1=CC[C@]2(CO)CO[C@@H]([C@H]1C2)C1=CC=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
http://www.opentox.org/api/1.1#IUPACName
4-[(1R,2S,5S,8S,9R)-5-(hydroxymethyl)-8,9-dimethyl-3-oxabicyclo[3.3.1]nonan-2-yl]phenol
http://www.opentox.org/api/1.1#SMILES
C[C@H]1CC[C@]2(CO)CO[C@@H]([C@H]1[C@H]2C)C1=CC=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
4-(4-FLUOROBENZYL)PIPERIDINE
http://www.opentox.org/api/1.1#IUPACName
4-[(4-fluorophenyl)methyl]piperidine
http://www.opentox.org/api/1.1#SMILES
FC1=CC=C(CC2CCNCC2)C=C1
http://www.opentox.org/api/1.1#ChemicalName
N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE
http://www.opentox.org/api/1.1#IUPACName
4-benzyl-1-[(4-methylphenyl)carbonyl]piperidine
http://www.opentox.org/api/1.1#SMILES
CC1=CC=C(C=C1)C(=O)N1CCC(CC2=CC=CC=C2)CC1
http://www.opentox.org/api/1.1#ChemicalName
methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
http://www.opentox.org/api/1.1#IUPACName
methyl (1R,2S)-2-(hydroxycarbamoyl)-1-({4-[(2-methylquinolin-4-yl)methoxy]phenyl}methyl)cyclopropane-1-carboxylate
http://www.opentox.org/api/1.1#SMILES
COC(=O)[C@@]1(CC2=CC=C(OCC3=CC(C)=NC4=C3C=CC=C4)C=C2)C[C@@H]1C(=O)NO
http://www.opentox.org/api/1.1#ChemicalName
(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE
http://www.opentox.org/api/1.1#IUPACName
(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-methyl-1,4-diazepan-2-one
http://www.opentox.org/api/1.1#SMILES
C[C@H]1N(CCCNC1=O)C(=O)C[C@H](N)CC1=C(F)C=C(F)C(F)=C1
http://www.opentox.org/api/1.1#ChemicalName
5-PENTYL-2-PHENOXYPHENOL
http://www.opentox.org/api/1.1#IUPACName
5-pentyl-2-phenoxyphenol
http://www.opentox.org/api/1.1#SMILES
CCCCCC1=CC(O)=C(OC2=CC=CC=C2)C=C1
http://www.opentox.org/api/1.1#ChemicalName
(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid
http://www.opentox.org/api/1.1#IUPACName
(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)[C@H]1C[C@@]11C[C@H](NC1=O)C1=CC=C(OCC2=CC(=NC3=C2C=CC=C3)C2=CC=CC=C2)C=C1
http://www.opentox.org/api/1.1#ChemicalName
4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
http://www.opentox.org/api/1.1#IUPACName
4-[(1S,2S,5S,6S,9S)-5-(hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
http://www.opentox.org/api/1.1#SMILES
C[C@H]1C=C(C)[C@@H]2[C@H](C)[C@@]1(CO)CO[C@@H]2C1=CC=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE
http://www.opentox.org/api/1.1#IUPACName
(2S)-13-chloro-2-(1-methanesulfonylpiperidin-4-yl)-10-(piperazin-1-yl)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
http://www.opentox.org/api/1.1#SMILES
CS(=O)(=O)N1CCC(CC1)[C@H]1C2=C(C=C(Cl)C=C2)C(=CC2=C1N=CC=C2)N1CCNCC1
http://www.opentox.org/api/1.1#ChemicalName
(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE
http://www.opentox.org/api/1.1#IUPACName
(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one
http://www.opentox.org/api/1.1#SMILES
N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1CC(F)(F)F)CC1=C(F)C=C(F)C(F)=C1
http://www.opentox.org/api/1.1#ChemicalName
3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
http://www.opentox.org/api/1.1#IUPACName
3-fluoro-4-[(2S)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetamido]benzoic acid
http://www.opentox.org/api/1.1#SMILES
CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@H](O)C(=O)NC1=CC=C(C=C1F)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
http://www.opentox.org/api/1.1#IUPACName
2-benzenesulfonamido-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)C1=C2CCCCC2=CC=C1NS(=O)(=O)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
http://www.opentox.org/api/1.1#IUPACName
2-({2-[(1Z)-3-(dimethylamino)prop-1-en-1-yl]-4-fluorobenzene}sulfonamido)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CN(C)C\C=C/C1=CC(F)=CC=C1S(=O)(=O)NC1=CC=C2CCCCC2=C1C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
4-(2-aminoethyl)-2-cyclohexylphenol
http://www.opentox.org/api/1.1#IUPACName
4-(2-aminoethyl)-2-cyclohexylphenol
http://www.opentox.org/api/1.1#SMILES
NCCC1=CC=C(O)C(=C1)C1CCCCC1
http://www.opentox.org/api/1.1#ChemicalName
4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-PHENOL
http://www.opentox.org/api/1.1#IUPACName
4-[(2R,5S)-2,5-diamino-5-hydroxypentyl]phenol
http://www.opentox.org/api/1.1#SMILES
N[C@@H](O)CC[C@@H](N)CC1=CC=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
ANISOMYCIN
http://www.opentox.org/api/1.1#IUPACName
(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl acetate
http://www.opentox.org/api/1.1#SMILES
COC1=CC=C(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)C=C1
COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1
http://www.opentox.org/api/1.1#ChemicalName
1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
http://www.opentox.org/api/1.1#IUPACName
N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide
http://www.opentox.org/api/1.1#SMILES
CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(F)(F)F
http://www.opentox.org/api/1.1#ChemicalName
N-(1-BENZYL-3,3,3-TRIFLUORO-2,2-DIHYDROXY-PROPYL)-ACETAMIDE
http://www.opentox.org/api/1.1#IUPACName
N-[(2S)-4,4,4-trifluoro-3,3-dihydroxy-1-phenylbutan-2-yl]acetamide
http://www.opentox.org/api/1.1#SMILES
CC(=O)N[C@@H](CC1=CC=CC=C1)C(O)(O)C(F)(F)F
http://www.opentox.org/api/1.1#ChemicalName
(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid
http://www.opentox.org/api/1.1#IUPACName
(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid
http://www.opentox.org/api/1.1#SMILES
OP(O)(=O)[C@@H](CCCC1=CC=CC(OC2=CC=CC=C2)=C1)S(O)(=O)=O
http://www.opentox.org/api/1.1#ChemicalName
tripotassium (1R)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate
http://www.opentox.org/api/1.1#IUPACName
potassium (1R)-1-[bis(potassiooxy)phosphoryl]-4-(4-phenylphenyl)butane-1-sulfonate
http://www.opentox.org/api/1.1#SMILES
[K]OP(=O)(O[K])[C@@H](CCCC1=CC=C(C=C1)C1=CC=CC=C1)S(=O)(=O)O[K]
http://www.opentox.org/api/1.1#ChemicalName
1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE
http://www.opentox.org/api/1.1#IUPACName
(4R,5R,6R)-pentacyclo[10.6.2.0^{2,7}.0^{9,19}.0^{16,20}]icosa-1(19),2(7),8,10,12(20),13,15,17-octaene-4,5,6-triol
http://www.opentox.org/api/1.1#SMILES
O[C@@H]1CC2=C3C=CC4=CC=CC5=CC=C(C=C2[C@@H](O)[C@@H]1O)C3=C45
http://www.opentox.org/api/1.1#ChemicalName
3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE
http://www.opentox.org/api/1.1#IUPACName
(1S,7S)-7-amino-7-benzyl-8-oxo-hexahydro-1H-pyrazolidino[1,2-a]pyridazine-1-carbaldehyde
http://www.opentox.org/api/1.1#SMILES
N[C@@]1(CC2=CC=CC=C2)CCN2CC[C@@H](C=O)N2C1=O
http://www.opentox.org/api/1.1#ChemicalName
(3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
http://www.opentox.org/api/1.1#IUPACName
(3aS)-3a-hydroxy-5-methyl-1-phenyl-1H,2H,3H,3aH,4H-pyrrolo[2,3-b]quinolin-4-one
http://www.opentox.org/api/1.1#SMILES
CC1=C2C(=CC=C1)N=C1N(CC[C@@]1(O)C2=O)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
(3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
http://www.opentox.org/api/1.1#IUPACName
(3aS)-3a-hydroxy-7-methyl-1-phenyl-1H,2H,3H,3aH,4H-pyrrolo[2,3-b]quinolin-4-one
http://www.opentox.org/api/1.1#SMILES
CC1=CC=C2C(=C1)N=C1N(CC[C@@]1(O)C2=O)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
http://www.opentox.org/api/1.1#IUPACName
(3aS)-3a-hydroxy-1-phenyl-1H,2H,3H,3aH,4H-pyrrolo[2,3-b]quinolin-4-one
http://www.opentox.org/api/1.1#SMILES
O[C@@]12CCN(C1=NC1=C(C=CC=C1)C2=O)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL
http://www.opentox.org/api/1.1#IUPACName
(4R,5R,6R)-tetracyclo[8.8.0.0^{2,7}.0^{13,18}]octadeca-1,7,9,11,13,15,17-heptaene-4,5,6-triol
http://www.opentox.org/api/1.1#SMILES
O[C@@H]1CC2=C(C=CC3=C2C2=C(C=CC=C2)C=C3)[C@@H](O)[C@@H]1O
http://www.opentox.org/api/1.1#ChemicalName
(2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid
http://www.opentox.org/api/1.1#IUPACName
(2R)-2-benzyl-4,4-dihydroxy-5-nitropentanoic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)[C@H](CC1=CC=CC=C1)CC(O)(O)C[N+]([O-])=O
http://www.opentox.org/api/1.1#CASRN
843-55-0
http://www.opentox.org/api/1.1#ChemicalName
4,4'-cyclohexane-1,1-diyldiphenol
Bisphenol Z
http://www.opentox.org/api/1.1#IUPACName
4,4'-cyclohexane-1,1-diyldiphenol
4-[1-(4-hydroxyphenyl)cyclohexyl]phenol
http://www.opentox.org/api/1.1#SMILES
OC1=CC=C(C2(CCCCC2)C3=CC=C(O)C=C3)C=C1
OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE
http://www.opentox.org/api/1.1#IUPACName
{[(2S)-6-methyl-3,4-dihydro-2H-1-benzopyran-2-yl]methyl}phosphinate
http://www.opentox.org/api/1.1#SMILES
CC1=CC=C2O[C@H](CP([O-])=O)CCC2=C1
http://www.opentox.org/api/1.1#ChemicalName
L-BENZYLSUCCINIC ACID
http://www.opentox.org/api/1.1#IUPACName
(2R)-2-benzylbutanedioic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)C[C@@H](CC1=CC=CC=C1)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
(6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
http://www.opentox.org/api/1.1#IUPACName
(6R)-2-amino-6-{2-[3-(3-methoxyphenyl)phenyl]ethyl}-3,6-dimethyl-3,4,5,6-tetrahydropyrimidin-4-one
http://www.opentox.org/api/1.1#SMILES
COC1=CC(=CC=C1)C1=CC(CC[C@]2(C)CC(=O)N(C)C(N)=N2)=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE
http://www.opentox.org/api/1.1#IUPACName
(2R,3S)-3-amino-2-hydroxy-S-(naphthalen-2-yl)-4-phenylbutane-1-sulfonamido
http://www.opentox.org/api/1.1#SMILES
N[C@@H](CC1=CC=CC=C1)[C@H](O)CNS(=O)(=O)C1=CC=C2C=CC=CC2=C1
http://www.opentox.org/api/1.1#ChemicalName
N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE
http://www.opentox.org/api/1.1#IUPACName
(2R,3S)-3-amino-2-hydroxy-S-(4-methoxy-2,3,6-trimethylphenyl)-4-phenylbutane-1-sulfonamido
http://www.opentox.org/api/1.1#SMILES
COC1=CC(C)=C(C(C)=C1C)S(=O)(=O)NC[C@@H](O)[C@@H](N)CC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
(2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL
http://www.opentox.org/api/1.1#IUPACName
(2R,3R,4S)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2H-1-benzopyran-6-ol
http://www.opentox.org/api/1.1#SMILES
C[C@H]1[C@@H]([C@@H](OC2=CC=C(O)C=C12)C1=CC=C(OCCN2CCCC2)C=C1)C1=CC=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-L-LEUCINAMIDE
http://www.opentox.org/api/1.1#IUPACName
benzyl N-[(1S)-1-{[(2S,3S)-3-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]carbamoyl}-3-methylbutyl]carbamate
http://www.opentox.org/api/1.1#SMILES
CC(C)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)[C@H](C)O
http://www.opentox.org/api/1.1#ChemicalName
2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE
http://www.opentox.org/api/1.1#IUPACName
2-sulfanyl-N-[(10S)-3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0^{2,7}]hexadeca-1(16),2,4,6,11,14-hexaen-10-yl]acetamide
http://www.opentox.org/api/1.1#SMILES
COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(=O)CS
http://www.opentox.org/api/1.1#ChemicalName
2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE
http://www.opentox.org/api/1.1#IUPACName
(2S,4S)-2,4-diamino-1,5-diphenylpentan-3-ol
http://www.opentox.org/api/1.1#SMILES
N[C@@H](CC1=CC=CC=C1)C(O)[C@@H](N)CC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-1-FORMYLPENTYL]CARBAMATE
http://www.opentox.org/api/1.1#IUPACName
(2R)-3-methyl-1-phenylbutan-2-yl N-[(2S)-1-oxohexan-2-yl]carbamate
http://www.opentox.org/api/1.1#SMILES
CCCC[C@H](NC(=O)O[C@H](CC1=CC=CC=C1)C(C)C)C=O
http://www.opentox.org/api/1.1#ChemicalName
1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE
http://www.opentox.org/api/1.1#IUPACName
1-benzylcyclopentyl N-[(2S)-1-oxohexan-2-yl]carbamate
http://www.opentox.org/api/1.1#SMILES
CCCC[C@H](NC(=O)OC1(CC2=CC=CC=C2)CCCC1)C=O
http://www.opentox.org/api/1.1#ChemicalName
(17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate
http://www.opentox.org/api/1.1#IUPACName
(1S,10S,11S,14R,15R)-14-(cyanomethyl)-4-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-5-yl sulfamate
http://www.opentox.org/api/1.1#SMILES
COC1=C(OS(N)(=O)=O)C=C2CC[C@H]3[C@@H]4CC[C@H](CC#N)[C@@]4(C)CC[C@@H]3C2=C1
http://www.opentox.org/api/1.1#ChemicalName
CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL
http://www.opentox.org/api/1.1#IUPACName
(1R,2S)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol
http://www.opentox.org/api/1.1#SMILES
N[C@H]1CCC2=CC=CC=C2[C@H]1O
http://www.opentox.org/api/1.1#ChemicalName
(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE
http://www.opentox.org/api/1.1#IUPACName
(2R,3S,9R)-5-acetyl-6-hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0^{2,9}.0^{3,7}.0^{15,18}]octadeca-1(17),5,11(18),12,14-pentaen-4-one
http://www.opentox.org/api/1.1#SMILES
CC(=O)C1=C(O)N2[C@@H]([C@@H]3[C@@H](CC4=C5C(NC=C35)=CC=C4)C2(C)C)C1=O
http://www.opentox.org/api/1.1#ChemicalName
(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL
http://www.opentox.org/api/1.1#IUPACName
(2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(13),9,11-trien-12-ol
http://www.opentox.org/api/1.1#SMILES
OC1=CC=C(C=C1)[C@@H]1OC2=C(C=C(O)C=C2)[C@@H]2CC(F)(F)C[C@H]12
http://www.opentox.org/api/1.1#ChemicalName
1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-5-METHYL-BENZENE-5'MONOPHOSPHATE
http://www.opentox.org/api/1.1#IUPACName
{[(2R,3S,5R)-5-(2,4-difluoro-5-methylphenyl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
http://www.opentox.org/api/1.1#SMILES
CC1=C(F)C=C(F)C(=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1
http://www.opentox.org/api/1.1#ChemicalName
2-[1-METHYLHEXYL]-4,6-DINITROPHENOL
http://www.opentox.org/api/1.1#IUPACName
2-[(2S)-heptan-2-yl]-4,6-dinitrophenol
http://www.opentox.org/api/1.1#SMILES
CCCCC[C@H](C)C1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
http://www.opentox.org/api/1.1#ChemicalName
(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL
http://www.opentox.org/api/1.1#IUPACName
(1R,10S,11S,14S,15S)-4-[(1E)-but-1-en-1-yl]-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol
http://www.opentox.org/api/1.1#SMILES
CC\C=C\C1=CC2=C(CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]23)C=C1O
http://www.opentox.org/api/1.1#ChemicalName
3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN
http://www.opentox.org/api/1.1#IUPACName
(1'S,2R,10'R,11'S,15'S)-5,5,15'-trimethyl-6-oxospiro[oxane-2,14'-tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane]-2',4',6'-triene-5'-carboxamide
http://www.opentox.org/api/1.1#SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=CC=C34)C(N)=O)[C@@H]1CC[C@@]21CCC(C)(C)C(=O)O1
http://www.opentox.org/api/1.1#ChemicalName
1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE
http://www.opentox.org/api/1.1#IUPACName
(2R)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
http://www.opentox.org/api/1.1#SMILES
COC1=C(OC)C=C2C(=O)[C@H](CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1
http://www.opentox.org/api/1.1#ChemicalName
(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL
http://www.opentox.org/api/1.1#IUPACName
(1S,10R,11S,13R,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,13,14-triol
http://www.opentox.org/api/1.1#SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CC=C34)[C@@H]1C[C@@H](O)[C@H]2O
http://www.opentox.org/api/1.1#ChemicalName
2,3,17BETA-TRIHYDROXY-1,3,5(10)-ESTRATRIENE
http://www.opentox.org/api/1.1#IUPACName
(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-4,5,14-triol
http://www.opentox.org/api/1.1#SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=C(O)C(O)=C4)[C@@H]1CC[C@@H]2O
http://www.opentox.org/api/1.1#ChemicalName
(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL
http://www.opentox.org/api/1.1#IUPACName
(1R,10S,11S,14S,15S,17S)-17-(methoxymethyl)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol
http://www.opentox.org/api/1.1#SMILES
COC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCC3=CC(O)=CC=C3[C@@H]12
http://www.opentox.org/api/1.1#ChemicalName
6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID
http://www.opentox.org/api/1.1#IUPACName
6-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)hexanoic acid
http://www.opentox.org/api/1.1#SMILES
CC1=C(CCCCCC(O)=O)C(=O)C2=CC=CC=C2C1=O
http://www.opentox.org/api/1.1#ChemicalName
4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE
http://www.opentox.org/api/1.1#IUPACName
(1S,3aS,4R,8aS,8bR)-4-[4-(diaminomethyl)phenyl]-1-(difluoromethyl)-2-[(4-fluorophenyl)methyl]-decahydropyrrolo[3,4-a]pyrrolizin-3-one
http://www.opentox.org/api/1.1#SMILES
NC(N)C1=CC=C(C=C1)[C@H]1[C@@H]2[C@H]([C@@H]3CCCN13)[C@@H](C(F)F)N(CC1=CC=C(F)C=C1)C2=O
http://www.opentox.org/api/1.1#ChemicalName
(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
http://www.opentox.org/api/1.1#IUPACName
(9aS)-4-bromo-9a-butyl-7-hydroxy-2,3,9,9a-tetrahydro-1H-fluoren-3-one
http://www.opentox.org/api/1.1#SMILES
CCCC[C@]12CC3=CC(O)=CC=C3C1=C(Br)C(=O)CC2
http://www.opentox.org/api/1.1#ChemicalName
N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE
http://www.opentox.org/api/1.1#IUPACName
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
http://www.opentox.org/api/1.1#SMILES
N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1=CC=CC=C1)CC1=C(F)C=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
http://www.opentox.org/api/1.1#IUPACName
1-[(3S,4S)-1-[2-(4-chlorophenyl)-1,3-benzoxazol-7-yl]-4-hydroxypentan-3-yl]-1H-imidazole-4-carboxamide
http://www.opentox.org/api/1.1#SMILES
C[C@H](O)[C@H](CCC1=CC=CC2=C1OC(=N2)C1=CC=C(Cl)C=C1)N1C=NC(=C1)C(N)=O
http://www.opentox.org/api/1.1#ChemicalName
(3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE
http://www.opentox.org/api/1.1#IUPACName
({4-[(3aS,4R,8aS,8bR)-2-[(4-fluorophenyl)methyl]-1,3-dioxo-decahydropyrrolo[3,4-a]pyrrolizin-4-yl]phenyl}(amino)methylidene)azanium
http://www.opentox.org/api/1.1#SMILES
NC(=[NH2+])C1=CC=C(C=C1)[C@H]1[C@@H]2[C@H]([C@@H]3CCCN13)C(=O)N(CC1=CC=C(F)C=C1)C2=O
http://www.opentox.org/api/1.1#ChemicalName
(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE
http://www.opentox.org/api/1.1#IUPACName
(3R,4S)-1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine
http://www.opentox.org/api/1.1#SMILES
COC1=C(OC)C=C(C=C1)N1CC[C@H](N)[C@@H](C1)C1=CC(C)=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE
http://www.opentox.org/api/1.1#IUPACName
(1R,2R,3S,4S)-2-benzoyl-3-phenylbicyclo[2.2.1]heptan-2-amine
http://www.opentox.org/api/1.1#SMILES
N[C@@]1([C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1)C(=O)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-ISOXAZOLE-ACETIC ACID METHYL ESTER
http://www.opentox.org/api/1.1#IUPACName
methyl 2-[(5R)-3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate
http://www.opentox.org/api/1.1#SMILES
COC(=O)C[C@H]1CC(=NO1)C1=CC=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
http://www.opentox.org/api/1.1#IUPACName
4-{[(1S,10R,11S,14S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-yl]oxy}-4-oxobutanoic acid
http://www.opentox.org/api/1.1#SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CC[C@@H]2OC(=O)CCC(O)=O
http://www.opentox.org/api/1.1#ChemicalName
(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-CHLOROETHYLKETONE
http://www.opentox.org/api/1.1#IUPACName
(2S)-N-[(2S)-5-chloro-3-oxo-1-phenylpentan-2-yl]-2-acetamidopropanamide
http://www.opentox.org/api/1.1#SMILES
C[C@H](NC(C)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)CCCl
http://www.opentox.org/api/1.1#ChemicalName
(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione
http://www.opentox.org/api/1.1#IUPACName
(2R,4R,6S,7S,9Z,12S)-6,7,16-trihydroxy-18-methoxy-12-methyl-3,13-dioxatricyclo[13.4.0.0^{2,4}]nonadeca-1(19),9,15,17-tetraene-8,14-dione
http://www.opentox.org/api/1.1#SMILES
COC1=CC(O)=C2C(=C1)[C@H]1O[C@@H]1C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O
http://www.opentox.org/api/1.1#ChemicalName
(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL
http://www.opentox.org/api/1.1#IUPACName
4-({4-[(1R,2S,4S)-2-hydroxy-4-phenylcyclohexyl]phenyl}formamido)butanoic acid
http://www.opentox.org/api/1.1#SMILES
O[C@H]1C[C@H](CC[C@@H]1C1=CC=C(C=C1)C(=O)NCCCC(O)=O)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
HOMOPHENYLALANINYLMETHANE
http://www.opentox.org/api/1.1#IUPACName
(3S)-3-amino-5-phenylpentan-2-one
http://www.opentox.org/api/1.1#SMILES
CC(=O)[C@@H](N)CCC1=CC=CC=C1
http://www.opentox.org/api/1.1#CASRN
84-16-2
http://www.opentox.org/api/1.1#ChemicalName
4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol
meso-Hexestrol
http://www.opentox.org/api/1.1#IUPACName
4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol
4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]phenol
http://www.opentox.org/api/1.1#SMILES
CC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
OC2=CC=C(C=C2)[C@@H](CC)[C@@H](CC)C(C=C1)=CC=C1O
Oc1ccc(cc1)[C@@H](CC)[C@@H](CC)c2ccc(O)cc2
http://www.opentox.org/api/1.1#ChemicalName
dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
http://www.opentox.org/api/1.1#IUPACName
2,3-dimethyl (1S,4R)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
http://www.opentox.org/api/1.1#SMILES
COC(=O)C1=C([C@H]2O[C@@H]1C(=C2C1=CC=C(O)C=C1)C1=CC=C(O)C=C1)C(=O)OC
http://www.opentox.org/api/1.1#ChemicalName
(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL
http://www.opentox.org/api/1.1#IUPACName
(2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(13),9,11-trien-12-ol
http://www.opentox.org/api/1.1#SMILES
OC1=CC=C(C=C1)[C@@H]1OC2=C(C=C(O)C=C2)[C@@H]2CCC[C@H]12
http://www.opentox.org/api/1.1#ChemicalName
5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-chroman-5-yl]methyl]pyrimidine-2,4-diamine
http://www.opentox.org/api/1.1#IUPACName
5-{[(2R)-2-cyclopropyl-7,8-dimethoxy-3,4-dihydro-2H-1-benzopyran-5-yl]methyl}pyrimidine-2,4-diamine
http://www.opentox.org/api/1.1#SMILES
COC1=C(OC)C2=C(CC[C@@H](O2)C2CC2)C(CC2=CN=C(N)N=C2N)=C1
http://www.opentox.org/api/1.1#ChemicalName
+/-METHYL 4-(AMINOIMINOMETHYL)-BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE
http://www.opentox.org/api/1.1#IUPACName
methyl (3S)-3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)pentanoate
http://www.opentox.org/api/1.1#SMILES
COC(=O)C[C@H](CCC1=CC=C(C=C1)C(N)=N)C1=CC=CC(=C1)C(N)=N
http://www.opentox.org/api/1.1#ChemicalName
N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
http://www.opentox.org/api/1.1#IUPACName
N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-(2-phenyl-1H-indol-3-yl)acetamide
http://www.opentox.org/api/1.1#SMILES
C[C@H](CCC1=CC=C(O)C=C1)NC(=O)CC1=C(NC2=C1C=CC=C2)C1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL
http://www.opentox.org/api/1.1#IUPACName
(2R,6S,7R)-7-(4-hydroxyphenyl)-10-(methoxymethyl)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(13),9,11-trien-12-ol
http://www.opentox.org/api/1.1#SMILES
COCC1=CC(O)=CC2=C1O[C@H]([C@H]1CCC[C@@H]21)C1=CC=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide
http://www.opentox.org/api/1.1#IUPACName
(2S)-2-[(2S)-2-aminopropanamido]-N-[(2S,3R)-3-hydroxy-1-phenylbutan-2-yl]propanamide
http://www.opentox.org/api/1.1#SMILES
C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](C)N
http://www.opentox.org/api/1.1#ChemicalName
N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-alanine
http://www.opentox.org/api/1.1#IUPACName
(2S)-2-[(2R)-2-benzyl-3-(hydroxycarbamoyl)propanamido]propanoic acid
http://www.opentox.org/api/1.1#SMILES
C[C@H](NC(=O)[C@@H](CC(=O)NO)CC1=CC=CC=C1)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
3-BENZYLOXYCARBONYLAMINO-2-HYDROXY-4-PHENYL-BUTYRIC ACID
http://www.opentox.org/api/1.1#IUPACName
(2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutanoic acid
http://www.opentox.org/api/1.1#SMILES
O[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
(1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-3-EN-1-AMINE
http://www.opentox.org/api/1.1#IUPACName
(1S,6R)-3-{[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl}-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-amine
http://www.opentox.org/api/1.1#SMILES
N[C@H]1CC(=CC[C@@H]1C1=CC(F)=C(F)C=C1F)C(=O)N1CCN2C(C1)=NN=C2C(F)(F)F
http://www.opentox.org/api/1.1#ChemicalName
5-PHENYL-2-KETO-VALERIC ACID
http://www.opentox.org/api/1.1#IUPACName
2-oxo-5-phenylpentanoic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)C(=O)CCCC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE
http://www.opentox.org/api/1.1#IUPACName
(3R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
http://www.opentox.org/api/1.1#SMILES
N[C@@H](CC(=O)N1CCCCCN1C(=O)C1=CC=CC=C1)CC1=C(F)C=C(F)C(F)=C1
http://www.opentox.org/api/1.1#ChemicalName
4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID
http://www.opentox.org/api/1.1#IUPACName
4-(2-aminophenyl)-4-oxobutanoic acid
http://www.opentox.org/api/1.1#SMILES
NC1=CC=CC=C1C(=O)CCC(O)=O
http://www.opentox.org/api/1.1#ChemicalName
(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine
http://www.opentox.org/api/1.1#IUPACName
(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine
http://www.opentox.org/api/1.1#SMILES
C[C@@H](C[C@@H](C)C1=CC=CC=C1)C[C@@H]1CCCCN1C
http://www.opentox.org/api/1.1#ChemicalName
1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE
http://www.opentox.org/api/1.1#IUPACName
1-(4-hexylphenyl)prop-2-en-1-one
http://www.opentox.org/api/1.1#SMILES
CCCCCCC1=CC=C(C=C1)C(=O)C=C
http://www.opentox.org/api/1.1#ChemicalName
1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
http://www.opentox.org/api/1.1#IUPACName
(2S)-2-acetamido-4-methyl-N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]pentanamide
http://www.opentox.org/api/1.1#SMILES
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(F)(F)F
http://www.opentox.org/api/1.1#ChemicalName
(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine
http://www.opentox.org/api/1.1#IUPACName
(1R,8S,11S)-3-(trifluoromethyl)tricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-11-amine
http://www.opentox.org/api/1.1#SMILES
N[C@H]1[C@H]2CC[C@@H]1C1=C(C=CC=C21)C(F)(F)F
http://www.opentox.org/api/1.1#ChemicalName
4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid
http://www.opentox.org/api/1.1#IUPACName
4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)C(=O)CC(=O)C1=CC=CC(=C1)N(CC1=CC=CC=C1)CC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
http://www.opentox.org/api/1.1#IUPACName
{4-[(4-chlorophenyl)methyl]-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidin-4-yl}methanamine
http://www.opentox.org/api/1.1#SMILES
NCC1(CC2=CC=C(Cl)C=C2)CCN(CC1)C1=C2C=CNC2=NC=N1
http://www.opentox.org/api/1.1#ChemicalName
4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium
http://www.opentox.org/api/1.1#IUPACName
4-[(4-chlorophenyl)methyl]-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidin-4-aminium
http://www.opentox.org/api/1.1#SMILES
[NH3+]C1(CC2=CC=C(Cl)C=C2)CCN(CC1)C1=C2C=CNC2=NC=N1
http://www.opentox.org/api/1.1#ChemicalName
(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol
http://www.opentox.org/api/1.1#IUPACName
(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol
http://www.opentox.org/api/1.1#SMILES
OC[C@H]1O[C@@]2(CC(=NO2)C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O
http://www.opentox.org/api/1.1#ChemicalName
(5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE
http://www.opentox.org/api/1.1#IUPACName
14-chloro-15,17-dihydroxy-1,3,4,7,8,9,10,11,12,13-decahydro-2-benzoxacyclopentadecine-1,12-dione
http://www.opentox.org/api/1.1#SMILES
OC1=CC(O)=C2C(CC(=O)CCCCC\C=C\CCOC2=O)=C1Cl
http://www.opentox.org/api/1.1#ChemicalName
(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID
http://www.opentox.org/api/1.1#IUPACName
(2S)-5-phenyl-2-(sulfanylmethyl)pentanoic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)[C@@H](CS)CCCC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE
http://www.opentox.org/api/1.1#IUPACName
1-(3-carboximidoylbut-3-en-1-yl)-4-fluorobenzene
http://www.opentox.org/api/1.1#SMILES
FC1=CC=C(CCC(=C)C=N)C=C1
http://www.opentox.org/api/1.1#ChemicalName
(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid
http://www.opentox.org/api/1.1#IUPACName
(1S,2R,10S,11S,14S,15S)-14-[(4-hydroxyphenyl)carbonyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-5,7-diene-5-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@]34C)C(O)=O)[C@@H]1CC[C@@H]2C(=O)C1=CC=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2-FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}-N'-METHYLSUCCINAMIDE
http://www.opentox.org/api/1.1#IUPACName
N-[(2S,3R)-4-[N-(cyclopropylmethyl)furan-2-sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]-N'-methylbutanediamide
http://www.opentox.org/api/1.1#SMILES
CNC(=O)CCC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC1CC1)S(=O)(=O)C1=CC=CO1
http://www.opentox.org/api/1.1#ChemicalName
(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE
http://www.opentox.org/api/1.1#IUPACName
(5S)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
http://www.opentox.org/api/1.1#SMILES
CCNC(=O)N1N=C(C[C@@]1(CCCN)C1=CC=CC=C1)C1=C(F)C=CC(F)=C1
http://www.opentox.org/api/1.1#ChemicalName
(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID
http://www.opentox.org/api/1.1#IUPACName
(2R,4S)-2-amino-4-(naphthalen-2-ylmethyl)pentanedioic acid
http://www.opentox.org/api/1.1#SMILES
N[C@H](C[C@H](CC1=CC2=CC=CC=C2C=C1)C(O)=O)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
(5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE
http://www.opentox.org/api/1.1#IUPACName
12-chloro-13,15-dihydroxy-1,3,4,7,8,9,10,11-octahydro-2-benzoxacyclotridecine-1,10-dione
http://www.opentox.org/api/1.1#SMILES
OC1=CC(O)=C2C(CC(=O)CCC\C=C/CCOC2=O)=C1Cl
http://www.opentox.org/api/1.1#ChemicalName
(5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE
http://www.opentox.org/api/1.1#IUPACName
12-chloro-13,15-dihydroxy-1,3,4,7,8,9,10,11-octahydro-2-benzoxacyclotridecine-1,10-dione
http://www.opentox.org/api/1.1#SMILES
OC1=CC(O)=C2C(CC(=O)CCC\C=C\CCOC2=O)=C1Cl
http://www.opentox.org/api/1.1#ChemicalName
(3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide
http://www.opentox.org/api/1.1#IUPACName
(3R)-3-cyclopentyl-7-(4-methylpiperazine-1-sulfonyl)-3,4-dihydro-2H-1$l^{6},2-benzothiazine-1,1-dione
http://www.opentox.org/api/1.1#SMILES
CN1CCN(CC1)S(=O)(=O)C1=CC2=C(C[C@@H](NS2(=O)=O)C2CCCC2)C=C1
http://www.opentox.org/api/1.1#ChemicalName
(3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide
http://www.opentox.org/api/1.1#IUPACName
(3R)-3-cyclopentyl-6-methyl-7-(4-methylpiperazine-1-sulfonyl)-3,4-dihydro-2H-1$l^{6},2-benzothiazine-1,1-dione
http://www.opentox.org/api/1.1#SMILES
CN1CCN(CC1)S(=O)(=O)C1=C(C)C=C2C[C@@H](NS(=O)(=O)C2=C1)C1CCCC1
http://www.opentox.org/api/1.1#ChemicalName
DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE
http://www.opentox.org/api/1.1#IUPACName
2,3-diethyl (1S,2R,3S,4R)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
http://www.opentox.org/api/1.1#SMILES
CCOC(=O)[C@H]1[C@@H]2O[C@H]([C@H]1C(=O)OCC)C(=C2C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
[2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE
http://www.opentox.org/api/1.1#IUPACName
3-[(1s,8s)-8-methyl-15,16-dioxatetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9,11,13-hexaen-1-yl]propanoic acid
http://www.opentox.org/api/1.1#SMILES
C[C@@]12OO[C@@](CCC(O)=O)(C3=CC=CC=C13)C1=C2C=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
(5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE
http://www.opentox.org/api/1.1#IUPACName
13-chloro-14,16-dihydroxy-3,4,7,8,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-1,11-dione
http://www.opentox.org/api/1.1#SMILES
OC1=CC(O)=C2C(CC(=O)CCCC\C=C\CCOC2=O)=C1Cl
http://www.opentox.org/api/1.1#ChemicalName
PHENYLALANYLMETHYLCHLORIDE
http://www.opentox.org/api/1.1#IUPACName
(3S)-3-amino-1-chloro-4-phenylbutan-2-one
http://www.opentox.org/api/1.1#SMILES
N[C@@H](CC1=CC=CC=C1)C(=O)CCl
http://www.opentox.org/api/1.1#ChemicalName
(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE
http://www.opentox.org/api/1.1#IUPACName
(6S)-6-cyclopentyl-6-{2-[3-fluoro-4-(propan-2-yloxy)phenyl]ethyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one
http://www.opentox.org/api/1.1#SMILES
CC(C)OC1=CC=C(CC[C@]2(CC(O)=CC(=O)O2)C2CCCC2)C=C1F
http://www.opentox.org/api/1.1#ChemicalName
4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid
http://www.opentox.org/api/1.1#IUPACName
4-[(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methyl]piperidine-1-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)N1CCC(CC2=CC(OC3=NC=C(C=C3)C(F)(F)F)=CC=C2)CC1
http://www.opentox.org/api/1.1#ChemicalName
(9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE
http://www.opentox.org/api/1.1#IUPACName
(1S,10R,11S,14S,15S)-4-methoxy-15-methyl-5-(sulfamoyloxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-yl sulfamate
http://www.opentox.org/api/1.1#SMILES
COC1=CC2=C(CC[C@H]3[C@@H]4CC[C@H](OS(N)(=O)=O)[C@@]4(C)CC[C@H]23)C=C1OS(N)(=O)=O
http://www.opentox.org/api/1.1#ChemicalName
(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate
http://www.opentox.org/api/1.1#IUPACName
(1R,2S,7S,10S)-7-methyl-4,6-dioxo-5-(pyridin-3-ylmethyl)-5-azatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadeca-11(16),12,14-trien-14-yl sulfamate
http://www.opentox.org/api/1.1#SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OS(N)(=O)=O)=C4)[C@@H]1CC(=O)N(CC1=CC=CN=C1)C2=O
http://www.opentox.org/api/1.1#ChemicalName
3(S)-AMINO-4-PHENYL-BUTAN-2(R)-OL
http://www.opentox.org/api/1.1#IUPACName
(2R,3S)-3-amino-4-phenylbutan-2-ol
http://www.opentox.org/api/1.1#SMILES
C[C@@H](O)[C@@H](N)CC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL
http://www.opentox.org/api/1.1#IUPACName
(2S,3S)-3-amino-4-phenylbutan-2-ol
http://www.opentox.org/api/1.1#SMILES
C[C@H](O)[C@@H](N)CC1=CC=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide
http://www.opentox.org/api/1.1#IUPACName
N-{[(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl]methyl}-3-methanesulfonylbenzamide
http://www.opentox.org/api/1.1#SMILES
CS(=O)(=O)C1=CC(=CC=C1)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)CC1=CC(Cl)=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-PHENYL)-CYCLOPROPANECARBOXYLIC ACID
http://www.opentox.org/api/1.1#IUPACName
(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropane-1-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CNC(=O)[C@H]1[C@@H]([C@H]1C1=CC=C(OP(O)(O)=O)C=C1)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
http://www.opentox.org/api/1.1#IUPACName
4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
http://www.opentox.org/api/1.1#SMILES
CC1=CC=CC=C1[C@H]1CCCN1C(=O)C1=C(O)C=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
(1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
http://www.opentox.org/api/1.1#IUPACName
(1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylsulfanyl)phenyl]cyclohex-2-ene-1-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
O[C@@H]1C[C@@](O)(C=C([C@H]1O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
http://www.opentox.org/api/1.1#IUPACName
(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(naphthalen-2-yl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
http://www.opentox.org/api/1.1#SMILES
OC[C@H]1O[C@@]2(C[C@H](NO2)C2=CC3=CC=CC=C3C=C2)[C@H](O)[C@@H](O)[C@@H]1O
http://www.opentox.org/api/1.1#ChemicalName
(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
http://www.opentox.org/api/1.1#IUPACName
(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
http://www.opentox.org/api/1.1#SMILES
CC1=CC=C(C=C1)[C@@H]1C[C@]2(ON1)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O
http://www.opentox.org/api/1.1#ChemicalName
[(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid
http://www.opentox.org/api/1.1#IUPACName
2-[(3S)-9-hydroxy-1-methyl-10-oxo-3H,4H,10H-naphtho[2,3-c]pyran-3-yl]acetic acid
http://www.opentox.org/api/1.1#SMILES
CC1=C2C(C[C@@H](CC(O)=O)O1)=CC1=C(C(O)=CC=C1)C2=O
http://www.opentox.org/api/1.1#ChemicalName
3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione
http://www.opentox.org/api/1.1#IUPACName
(3aS,4S,7aS)-4-[2-(2,3-dihydroxy-6-methylphenyl)ethyl]-7a-methyl-octahydro-1H-indene-1,5-dione
http://www.opentox.org/api/1.1#SMILES
CC1=CC=C(O)C(O)=C1CC[C@H]1[C@@H]2CCC(=O)[C@@]2(C)CCC1=O
http://www.opentox.org/api/1.1#ChemicalName
1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE
http://www.opentox.org/api/1.1#IUPACName
(2S)-1-(4-cyclohexylphenoxy)-3-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-ol
http://www.opentox.org/api/1.1#SMILES
O[C@H](COC1=CC=C(C=C1)C1CCCCC1)CN1CCN(CC1)C1=CC=CC=N1
http://www.opentox.org/api/1.1#ChemicalName
4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE
http://www.opentox.org/api/1.1#IUPACName
4-[(3aS,4R,7R,8aS,8bR)-2-(2H-1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxo-decahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzene-1-carboximidamide
http://www.opentox.org/api/1.1#SMILES
NC(=N)C1=CC=C(C=C1)[C@H]1[C@@H]2[C@H]([C@@H]3C[C@@H](O)CN13)C(=O)N(CC1=CC=C3OCOC3=C1)C2=O
http://www.opentox.org/api/1.1#ChemicalName
4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline
http://www.opentox.org/api/1.1#IUPACName
4-bromo-2-{[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]carbonyl}aniline
http://www.opentox.org/api/1.1#SMILES
NC1=CC=C(Br)C=C1C(=O)N1CCC[C@@H]1CC1=C(Cl)C=CC=C1
http://www.opentox.org/api/1.1#ChemicalName
4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
http://www.opentox.org/api/1.1#IUPACName
4-[(1S,2R,5S)-4,4,8-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
http://www.opentox.org/api/1.1#SMILES
CC1=CC[C@H]2C[C@@H]1[C@@H](OC2(C)C)C1=CC=C(O)C=C1
http://www.opentox.org/api/1.1#ChemicalName
(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE
http://www.opentox.org/api/1.1#IUPACName
(5R)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione
http://www.opentox.org/api/1.1#SMILES
CC1=C(O)C(C)=C2CC[C@](C)(COC3=CC=C(C[C@H]4SC(=O)NC4=O)C=C3)OC2=C1C
http://www.opentox.org/api/1.1#ChemicalName
4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL
http://www.opentox.org/api/1.1#IUPACName
4-(4-chlorophenyl)-1-{3-[2-(4-fluorophenyl)-1,3-dithiolan-2-yl]propyl}piperidin-4-ol
http://www.opentox.org/api/1.1#SMILES
OC1(CCN(CCCC2(SCCS2)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1
http://www.opentox.org/api/1.1#ChemicalName
TRAZEOLIDE
http://www.opentox.org/api/1.1#IUPACName
4-oxo-4-[(2S,3S)-1,1,2,6-tetramethyl-3-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]butanoic acid
http://www.opentox.org/api/1.1#SMILES
CC(C)[C@H]1[C@H](C)C(C)(C)C2=C1C=C(C(=O)CCC(O)=O)C(C)=C2
http://www.opentox.org/api/1.1#ChemicalName
TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL
http://www.opentox.org/api/1.1#IUPACName
(1S,2S)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol
http://www.opentox.org/api/1.1#SMILES
N[C@H]1CCC2=CC=CC=C2[C@@H]1O
http://www.opentox.org/api/1.1#ChemicalName
4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
http://www.opentox.org/api/1.1#IUPACName
4-[(3R)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}butyl]benzamide
http://www.opentox.org/api/1.1#SMILES
C[C@H](CCC1=CC=C(C=C1)C(N)=O)NCC(=O)C1=CC=C(F)C=C1
http://www.opentox.org/api/1.1#ChemicalName
2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
http://www.opentox.org/api/1.1#IUPACName
2-[(2R)-1-carboxy-3-(naphthalen-1-yl)propan-2-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)C[C@@H](CC1=CC=CC2=CC=CC=C12)N1C(=O)C2=CC=C(C=C2C1=O)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
4-HYDROXY-3-[(1S,3R)-3-HYDROXY-1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
http://www.opentox.org/api/1.1#IUPACName
4-hydroxy-3-[(1R,3S)-3-hydroxy-1-phenylbutyl]-2H-chromen-2-one
http://www.opentox.org/api/1.1#SMILES
C[C@H](O)C[C@H](C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O
http://www.opentox.org/api/1.1#ChemicalName
4-HYDROXY-3-[(1S,3S)-3-HYDROXY-1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
http://www.opentox.org/api/1.1#IUPACName
4-hydroxy-3-[(1S,3R)-3-hydroxy-1-phenylbutyl]-2H-chromen-2-one
http://www.opentox.org/api/1.1#SMILES
C[C@@H](O)C[C@@H](C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O
http://www.opentox.org/api/1.1#ChemicalName
(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL
http://www.opentox.org/api/1.1#IUPACName
(2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(13),9,11-trien-13-ol
http://www.opentox.org/api/1.1#SMILES
OC1=CC=C(C=C1)[C@@H]1OC2=CC=CC(O)=C2[C@@H]2CCC[C@H]12
http://www.opentox.org/api/1.1#ChemicalName
(11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
http://www.opentox.org/api/1.1#IUPACName
(10R)-9-acetyl-10-(2,4-dichlorophenyl)-4-hydroxy-14,14-dimethyl-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one
http://www.opentox.org/api/1.1#SMILES
CC(=O)N1[C@@H](C2=C(Cl)C=C(Cl)C=C2)C2=C(CC(C)(C)CC2=O)NC2=C(O)C=CC=C12
http://www.opentox.org/api/1.1#ChemicalName
Ethyl biscoumacetate
Pelentan; Tromexan
http://www.opentox.org/api/1.1#IUPACName
ethyl 2,2-bis(2-hydroxy-4-oxo-4H-chromen-3-yl)acetate
http://www.opentox.org/api/1.1#SMILES
CCOC(=O)C(C1=C(O)OC2=CC=CC=C2C1=O)C1=C(O)OC2=CC=CC=C2C1=O
http://www.opentox.org/api/1.1#ChemicalName
(±)-Dimet​hindene; Dimethylp​yrindene
Dimethindene
http://www.opentox.org/api/1.1#IUPACName
dimethyl(2-{3-[1-(pyridin-2-yl)ethyl]-1H-inden-2-yl}ethyl)amine
http://www.opentox.org/api/1.1#SMILES
CC(C1=C(CCN(C)C)CC2=CC=CC=C12)C1=CC=CC=N1
http://www.opentox.org/api/1.1#CASRN
113558-89-7
http://www.opentox.org/api/1.1#ChemicalName
E-4031
http://www.opentox.org/api/1.1#SMILES
O=S(=O)(Nc1ccc(cc1)C(=O)C3CCN(CCc2nc(ccc2)C)CC3)C
http://www.opentox.org/api/1.1#CASRN
52225-20-4
58-95-7
http://www.opentox.org/api/1.1#ChemicalName
Tocopheryl acetate, dl-alpha-
dl-alpha-Tocopheryl acetate
vitamin e acetate
http://www.opentox.org/api/1.1#IUPACName
2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl acetate
http://www.opentox.org/api/1.1#SMILES
C1(=C(C)C2OC(CCC=2C(=C1OC(=O)C)C)(CCCC(CCCC(CCCC(C)C)C)C)C)C
CC(=O)OC1=C(C)C2=C(O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2)C(C)=C1C
CC(=O)Oc2c(C)c(C)c1OC(C)(CCc1c2C)CCCC(C)CCCC(C)CCCC(C)C
Cc1c(c(c(c2c1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)C)C
http://www.opentox.org/api/1.1#CASRN
60-41-3
http://www.opentox.org/api/1.1#ChemicalName
Strychnine hemisulphate salt
http://www.opentox.org/api/1.1#IUPACName
strychnidin-10-one sulfate (2:1)
http://www.opentox.org/api/1.1#SMILES
O=C2N5[C@@]3([H])[C@@]1([H])[C@](C[C@]4([H])N(C7)CC[C@]34C6=C5C=CC=C6)([H])C7=CCO[C@]([H])1C2
O=C2N5[C@@]3([H])[C@@]1([H])[C@](C[C@]4([H])N(C7)CC[C@]34C6=C5C=CC=C6)([H])C7=CCO[C@]([H])1C2.O=C9N%12[C@@]%10([H])[C@@]8([H])[C@](C[C@]%11([H])N(C%14)CC[C@]%10%11C%13=C%12C=CC=C%13)([H])C%14=CCO[C@]([H])8C9.O=S(O)(O)=O
http://www.opentox.org/api/1.1#CASRN
93-91-4
http://www.opentox.org/api/1.1#ChemicalName
1-Benzoylacetone
benzoylacetone
http://www.opentox.org/api/1.1#IUPACName
1-phenylbutane-1,3-dione
http://www.opentox.org/api/1.1#SMILES
C1=CC=CC=C1C(=O)CC(=O)C
O=C(CC(C)=O)c1ccccc1
http://www.opentox.org/api/1.1#CASRN
104-13-2
http://www.opentox.org/api/1.1#ChemicalName
4-Butylaniline
4-n-butylaniline
http://www.opentox.org/api/1.1#IUPACName
4-butylaniline
http://www.opentox.org/api/1.1#SMILES
CCCCc1ccc(cc1)N
NC1=CC=C(CCCC)C=C1
Nc1ccc(CCCC)cc1
http://www.opentox.org/api/1.1#CASRN
1806-26-4
http://www.opentox.org/api/1.1#ChemicalName
4-Octylphenol
4-n-octylphenol
http://www.opentox.org/api/1.1#IUPACName
4-octylphenol
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCc1ccc(cc1)O
OC1=CC=C(CCCCCCCC)C=C1
Oc1ccc(CCCCCCCC)cc1
http://www.opentox.org/api/1.1#CASRN
26538-44-3
http://www.opentox.org/api/1.1#ChemicalName
Zearalanol
http://www.opentox.org/api/1.1#IUPACName
(3S,7R)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one
http://www.opentox.org/api/1.1#SMILES
Oc1cc(O)cc2CCCCC[C@@H](O)CCC[C@H](C)OC(=O)c12
http://www.opentox.org/api/1.1#CASRN
140-66-9
http://www.opentox.org/api/1.1#EINECS
205-426-2
http://www.opentox.org/api/1.1#ChemicalName
4-(1,1,3,3-Tetramethylbutyl)phenol
4-(1,1,3,3-tetramethylbutyl)phenol
4-(2,4,4-Trimethylpentan-2-yl)phenol
4-Octylphenol
4-tert-Octylphenol
Phenol, p-(1,1,3,3-tetramethylbutyl)-
p-(1,1,3,3-Tetramethylbutyl)phenol
p-(1,1,3,3-tetramethylbutyl)phenol
p-Octylphenol
p-t-Octylphenol
p-tert-Octylphenol
http://www.opentox.org/api/1.1#IUPACName
4-(1,1,3,3-tetramethylbutyl)phenol
http://www.opentox.org/api/1.1#IUCLID5_UUID
IUC5-e32924fd-30df-4c8c-86a9-40f624a10227
http://www.opentox.org/api/1.1#SMILES
C(C1=CC=C(C=C1)O)(CC(C)(C)C)(C)C
Oc1ccc(cc1)C(C)(C)CC(C)(C)C
http://www.opentox.org/api/1.1#CASRN
129453-61-8
http://www.opentox.org/api/1.1#ChemicalName
Fulvestrant
http://www.opentox.org/api/1.1#IUPACName
(7alpha,17beta)-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1,3,5(10)-triene-3,17-diol
http://www.opentox.org/api/1.1#SMILES
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
OC1=CC3=C([C@@]2([H])CC[C@@]4(C)[C@](CC[C@@H]4O)([H])[C@@]([H])2[C@H](CCCCCCCCCS(CCCC(F)(F)C(F)(F)F)=O)C3)C=C1
http://www.opentox.org/api/1.1#CASRN
57-91-0
http://www.opentox.org/api/1.1#ChemicalName
17alpha-Estradiol
http://www.opentox.org/api/1.1#IUPACName
(17alpha)-estra-1,3,5(10)-triene-3,17-diol
http://www.opentox.org/api/1.1#SMILES
OC1=CC2=C(C=C1)[C@]3([H])[C@](CC2)([H])[C@@](CCC4O)([H])[C@]4(C)CC3
Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@H](O)CC[C@@H]12)c4cc3
[C@]12([C@]([C@@]3(CCC4=C([C@@](CC1)3[H])C=CC(O)=C4)[H])(CC[C@@H]2O)[H])C
http://www.opentox.org/api/1.1#CASRN
104-43-8
http://www.opentox.org/api/1.1#ChemicalName
4-Dodecylphenol
http://www.opentox.org/api/1.1#IUPACName
4-dodecylphenol
http://www.opentox.org/api/1.1#SMILES
C1(=CC=C(C=C1)CCCCCCCCCCCC)O
Oc1ccc(CCCCCCCCCCCC)cc1
http://www.opentox.org/api/1.1#CASRN
10457-90-6
http://www.opentox.org/api/1.1#ChemicalName
Bromperidol
bromperidol
http://www.opentox.org/api/1.1#IUPACName
4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
http://www.opentox.org/api/1.1#SMILES
C3=C(Br)C=CC(C2(O)CCN(CCCC(=O)C1=CC=C(F)C=C1)CC2)=C3
Fc1ccc(cc1)C(=O)CCCN2CCC(O)(CC2)c3ccc(Br)cc3
http://www.opentox.org/api/1.1#CASRN
77-23-6
http://www.opentox.org/api/1.1#ChemicalName
Carbetapentane
http://www.opentox.org/api/1.1#IUPACName
2-{[2-(diethylamino)ethyl]oxy}ethyl 1-phenylcyclopentanecarboxylate
http://www.opentox.org/api/1.1#SMILES
C2=CC=CC=C2C1(C(=O)OCCOCCN(CC)CC)CCCC1
http://www.opentox.org/api/1.1#CASRN
50935-04-1
http://www.opentox.org/api/1.1#ChemicalName
Carminomycin
http://www.opentox.org/api/1.1#IUPACName
(1S,3S)-3-acetyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
http://www.opentox.org/api/1.1#SMILES
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(O)cccc2C(=O)c3c(O)c5C4
http://www.opentox.org/api/1.1#CASRN
1260-17-9
1343-78-8
http://www.opentox.org/api/1.1#ChemicalName
Ammonium carmine
Carminic acid
Cochineal
http://www.opentox.org/api/1.1#IUPACName
(1S)-1,5-anhydro-1-(7-carboxy-1,3,4,6-tetrahydroxy-8-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl)-D-glucitol
http://www.opentox.org/api/1.1#SMILES
O[C@H]1[C@@H]([C@H]([C@H](C4=C(C(C(C2=C(C(C(O)=O)=C(C=C23)O)C)=O)=C(C(O)=C4O)C3=O)O)O[C@@H]1CO)O)O
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
[H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=C(O)C(O)=C3C(=O)C4=CC(O)=C(C(O)=O)C(C)=C4C(=O)C3=C2O
http://www.opentox.org/api/1.1#CASRN
483-18-1
http://www.opentox.org/api/1.1#ChemicalName
Emetine
http://www.opentox.org/api/1.1#IUPACName
(1'beta)-6',7',10,11-tetramethoxyemetan
http://www.opentox.org/api/1.1#SMILES
[H][C@@]2(C[C@@H]3[C@@H](CC)CN4[C@@](C(C=C(OC)C(OC)=C5)=C5CC4)([H])C3)C1=CC(OC)=C(OC)C=C1CCN2
http://www.opentox.org/api/1.1#CASRN
50-50-0
http://www.opentox.org/api/1.1#ChemicalName
Estradiol benzoate
http://www.opentox.org/api/1.1#IUPACName
(17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl benzoate
http://www.opentox.org/api/1.1#SMILES
O=c(Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3)c5ccccc5
http://www.opentox.org/api/1.1#CASRN
313-06-4
http://www.opentox.org/api/1.1#ChemicalName
Estradiol cypionate
http://www.opentox.org/api/1.1#IUPACName
(17beta)-3-hydroxyestra-1(10),2,4-trien-17-yl 3-cyclopentylpropanoate
http://www.opentox.org/api/1.1#SMILES
Oc4cc5CC[C@@H]1[C@H](CC[C@]2(C)[C@H](CC[C@@H]12)OC(=O)CCC3CCCC3)c5cc4
http://www.opentox.org/api/1.1#CASRN
113-38-2
http://www.opentox.org/api/1.1#ChemicalName
Estradiol dipropionate
http://www.opentox.org/api/1.1#IUPACName
(17beta)-estra-1(10),2,4-triene-3,17-diyl dipropanoate
http://www.opentox.org/api/1.1#SMILES
CCC(=O)Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@H](CC[C@@H]12)OC(=O)CC)c4cc3
http://www.opentox.org/api/1.1#CASRN
4956-37-0
http://www.opentox.org/api/1.1#ChemicalName
Estradiol enanthate
http://www.opentox.org/api/1.1#IUPACName
(17beta)-3-hydroxyestra-1(10),2,4-trien-17-yl heptanoate
http://www.opentox.org/api/1.1#SMILES
CCCCCCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCc1cc(O)ccc1[C@H]4CC[C@]23C
http://www.opentox.org/api/1.1#CASRN
979-32-8
http://www.opentox.org/api/1.1#ChemicalName
Estradiol valerate
http://www.opentox.org/api/1.1#IUPACName
(17beta)-3-hydroxyestra-1(10),2,4-trien-17-yl pentanoate
http://www.opentox.org/api/1.1#SMILES
CCCCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCc1cc(O)ccc1[C@H]4CC[C@]23C
http://www.opentox.org/api/1.1#CASRN
7280-37-7
http://www.opentox.org/api/1.1#ChemicalName
Estropipate
http://www.opentox.org/api/1.1#IUPACName
17-oxoestra-1,3,5(10)-trien-3-yl hydrogen sulfate - piperazine (1:1)
http://www.opentox.org/api/1.1#SMILES
OS(=O)(=O)Oc1cc2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3c2cc1
OS(=O)(=O)Oc1cc2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3c2cc1.C1CNCCN1
http://www.opentox.org/api/1.1#CASRN
33419-42-0
http://www.opentox.org/api/1.1#ChemicalName
Etoposide
http://www.opentox.org/api/1.1#IUPACName
(8aR,9R)-9-[4-hydroxy-3,5-bis(methyloxy)phenyl]-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside
http://www.opentox.org/api/1.1#SMILES
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
http://www.opentox.org/api/1.1#CASRN
36330-85-5
http://www.opentox.org/api/1.1#ChemicalName
Fenbufen
fenbufen
http://www.opentox.org/api/1.1#IUPACName
4-biphenyl-4-yl-4-oxobutanoic acid
http://www.opentox.org/api/1.1#SMILES
C2=CC=CC(C1=CC=C(C(=O)CCC(O)=O)C=C1)=C2
O=C(CCC(=O)O)c1ccc(cc1)c2ccccc2
O=C(O)CCC(=O)c2ccc(c1ccccc1)cc2
http://www.opentox.org/api/1.1#CASRN
596-51-0
http://www.opentox.org/api/1.1#ChemicalName
Glycopyrrolate
http://www.opentox.org/api/1.1#IUPACName
3-{[cyclopentyl(hydroxy)phenylacetyl]oxy}-1,1-dimethylpyrrolidinium bromide
http://www.opentox.org/api/1.1#SMILES
O=C(OC1C[N+](CC1)(C)C)C(C2CCCC2)(O)C3=CC=CC=C3
O=C(OC1C[N+](CC1)(C)C)C(C2CCCC2)(O)C3=CC=CC=C3.[Br-]
http://www.opentox.org/api/1.1#CASRN
115-63-9
http://www.opentox.org/api/1.1#ChemicalName
Hexocyclium
http://www.opentox.org/api/1.1#IUPACName
4-(2-cyclohexyl-2-hydroxy-2-phenylethyl)-1,1-dimethylpiperazin-1-ium methyl sulfate
http://www.opentox.org/api/1.1#SMILES
OC(CN1CC[N+](C)(C)CC1)(c2ccccc2)C3CCCCC3
OC(CN1CC[N+](C)(C)CC1)(c2ccccc2)C3CCCCC3.[O-]S(=O)(=O)OC
http://www.opentox.org/api/1.1#CASRN
96-83-3
http://www.opentox.org/api/1.1#ChemicalName
Iopanoic acid
iopanoic acid
http://www.opentox.org/api/1.1#IUPACName
2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid
http://www.opentox.org/api/1.1#SMILES
C1=C(I)C(N)=C(I)C(CC(C(=O)O)CC)=C1I
Ic1cc(I)c(N)c(I)c1CC(CC)C(=O)O
http://www.opentox.org/api/1.1#CASRN
74050-98-9
http://www.opentox.org/api/1.1#ChemicalName
Ketanserin
ketanserin
http://www.opentox.org/api/1.1#IUPACName
3-(2-{4-[(4-fluorophenyl)carbonyl]piperidin-1-yl}ethyl)quinazoline-2,4(1H,3H)-dione
http://www.opentox.org/api/1.1#SMILES
C1=CC=C4C(=C1)NC(=O)N(CCN3CCC(C(=O)C2=CC=C(F)C=C2)CC3)C4=O
Fc1ccc(cc1)C(=O)C4CCN(CCN2C(=O)c3ccccc3NC2=O)CC4
http://www.opentox.org/api/1.1#CASRN
90-69-7
http://www.opentox.org/api/1.1#ChemicalName
Lobeline
http://www.opentox.org/api/1.1#IUPACName
2-{(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl}-1-phenylethanone
http://www.opentox.org/api/1.1#SMILES
N2([C@@H](CC(=O)c1ccccc1)CCC[C@H]2C[C@@H](c3ccccc3)O)C
http://www.opentox.org/api/1.1#CASRN
3575-80-2
http://www.opentox.org/api/1.1#ChemicalName
Methylperone
http://www.opentox.org/api/1.1#IUPACName
1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one
http://www.opentox.org/api/1.1#SMILES
C2C(C)CCN(CCCC(=O)C1=CC=C(F)C=C1)C2
http://www.opentox.org/api/1.1#CASRN
55096-26-9
http://www.opentox.org/api/1.1#ChemicalName
Nalmefene
http://www.opentox.org/api/1.1#IUPACName
(5alpha)-17-(cyclopropylmethyl)-6-methylidene-4,5-epoxymorphinan-3,14-diol
http://www.opentox.org/api/1.1#SMILES
O[C@@]1(CC4)[C@]2([C@H](C4=C)OC3=C6O)C3=C(C=C6)C[C@H]1N(CC5CC5)CC2
http://www.opentox.org/api/1.1#CASRN
447-41-6
http://www.opentox.org/api/1.1#ChemicalName
Nylidrin
nylidrin
http://www.opentox.org/api/1.1#IUPACName
4-{1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]propyl}phenol
http://www.opentox.org/api/1.1#SMILES
C2=C(O)C=CC(C(O)C(C)NC(C)CCC1=CC=CC=C1)=C2
OC(c1ccc(O)cc1)C(C)NC(C)CCc2ccccc2
http://www.opentox.org/api/1.1#CASRN
66104-22-1
http://www.opentox.org/api/1.1#ChemicalName
Pergolide methanesulfonate
http://www.opentox.org/api/1.1#IUPACName
(8b)-8-[(methylsulfanyl)methyl]-6-propylergoline methanesulfonate
http://www.opentox.org/api/1.1#SMILES
[H][C@@]14[C@](C3=C2C(C4)=CNC2=CC=C3)([H])C[C@](CSC)([H])CN1CCC
[H][C@@]14[C@](C3=C2C(C4)=CNC2=CC=C3)([H])C[C@](CSC)([H])CN1CCC.O=S(O)(C)=O
http://www.opentox.org/api/1.1#CASRN
18378-89-7
http://www.opentox.org/api/1.1#ChemicalName
Plicamycin
http://www.opentox.org/api/1.1#IUPACName
(1S)-5-deoxy-1-C-[(2S,3S)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-lyxo-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulose
http://www.opentox.org/api/1.1#SMILES
O=C([C@H]2O[C@H]3C[C@@H](O[C@H]7C[C@@H](O[C@H]8C[C@@](O)(C)[C@H](O)[C@@H](C)O8)[C@H](O)[C@@H](C)O7)[C@H](O)[C@@H](C)O3)C1=C(O)C(C(O)=C(C(O[C@H]5C[C@@H](O[C@H]6C[C@@H](O)[C@H](O)[C@@H](C)O6)[C@@H](O)[C@@H](C)O5)=C4)C)=C4C=C1C[C@@]2([H])[C@H](OC)C([C@@H](O)[C@@H](C)O)=O
http://www.opentox.org/api/1.1#CASRN
751-97-3
http://www.opentox.org/api/1.1#ChemicalName
Rolitetracycline
http://www.opentox.org/api/1.1#IUPACName
(4S,4aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(pyrrolidin-1-ylmethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
[C@]43(\C(=C2\C(c1c(O)cccc1[C@](C2C[C@H]3[C@@H](/C(=C(\C4=O)C(NCN5CCCC5)=O)O)N(C)C)(O)C)=O)O)O
http://www.opentox.org/api/1.1#CASRN
29767-20-2
http://www.opentox.org/api/1.1#ChemicalName
Teniposide
http://www.opentox.org/api/1.1#IUPACName
(8aR,9R)-9-[4-hydroxy-3,5-bis(methyloxy)phenyl]-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-(2-thienylmethylidene)-beta-D-glucopyranoside
http://www.opentox.org/api/1.1#SMILES
C23C(c1cc5c(cc1[C@H]([C@H]2C(=O)OC3)c4cc(c(c(c4)OC)O)OC)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)COC(O7)c8sccc8)O)O
http://www.opentox.org/api/1.1#CASRN
57648-21-2
http://www.opentox.org/api/1.1#ChemicalName
Timiperone
timiperone
http://www.opentox.org/api/1.1#IUPACName
1-(4-fluorophenyl)-4-[4-(2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]butan-1-one
http://www.opentox.org/api/1.1#SMILES
C(=O)(CCCN3CCC(N1C(=S)NC2=C1C=CC=C2)CC3)C4=CC=C(F)C=C4
Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)N3c4ccccc4NC3=S
http://www.opentox.org/api/1.1#CASRN
4310-35-4
http://www.opentox.org/api/1.1#ChemicalName
Tridihexethyl chloride
http://www.opentox.org/api/1.1#IUPACName
3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium chloride
http://www.opentox.org/api/1.1#SMILES
C2=CC=C(C(O)(CC[N+](CC)(CC)CC)C1CCCCC1)C=C2
C2=CC=C(C(O)(CC[N+](CC)(CC)CC)C1CCCCC1)C=C2.[Cl-]
http://www.opentox.org/api/1.1#CASRN
7246-21-1
http://www.opentox.org/api/1.1#ChemicalName
Sodium tyropanoate
http://www.opentox.org/api/1.1#IUPACName
sodium 2-{[3-(butanoylamino)-2,4,6-triiodophenyl]methyl}butanoate
http://www.opentox.org/api/1.1#SMILES
Ic1c(NC(=O)CCC)c(I)cc(I)c1CC(CC)C(O)=O
[Na+].Ic1c(NC(=O)CCC)c(I)cc(I)c1CC(CC)C([O-])=O
http://www.opentox.org/api/1.1#CASRN
149845-06-7
http://www.opentox.org/api/1.1#ChemicalName
Saquinavir mesylate
http://www.opentox.org/api/1.1#IUPACName
N1-{(1S,2R)-1-benzyl-3-[(3S,4aS,8aS)-3-[(tert-butylamino)carbonyl]octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl}-N2-(quinolin-2-ylcarbonyl)-L-aspartamide methanesulfonate (salt)
http://www.opentox.org/api/1.1#SMILES
O=[C@](NC(C)(C)C)[C@H]2N(C[C@@H](O)[C@@H](NC([C@H](CC(N)=O)NC(C4=NC(C=CC=C5)=C5C=C4)=O)=O)CC3=CC=CC=C3)C[C@@]1([H])CCCC[C@]([H])1C2
O=[C@](NC(C)(C)C)[C@H]2N(C[C@@H](O)[C@@H](NC([C@H](CC(N)=O)NC(C4=NC(C=CC=C5)=C5C=C4)=O)=O)CC3=CC=CC=C3)C[C@@]1([H])CCCC[C@]([H])1C2.O=S(O)(C)=O
http://www.opentox.org/api/1.1#CASRN
131-89-5
http://www.opentox.org/api/1.1#ChemicalName
2-cyclohexyl-4,6-dinitrophenol
Dinex
http://www.opentox.org/api/1.1#IUPACName
2-cyclohexyl-4,6-dinitrophenol
http://www.opentox.org/api/1.1#SMILES
[O-][N+](=O)c1cc(c(O)c(c1)[N+]([O-])=O)C2CCCCC2
http://www.opentox.org/api/1.1#CASRN
64-86-8
http://www.opentox.org/api/1.1#ChemicalName
Colchicine
http://www.opentox.org/api/1.1#IUPACName
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
http://www.opentox.org/api/1.1#SMILES
CC(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3C1=CC=C(OC)C(=O)C=C12
O=C1C=C([C@H]3NC(C)=O)C(C2=C(CC3)C=C(OC)C(OC)=C2OC)=CC=C1OC
http://www.opentox.org/api/1.1#CASRN
41122-70-7
http://www.opentox.org/api/1.1#ChemicalName
4-Hexyl-4'-cyanobiphenyl
http://www.opentox.org/api/1.1#IUPACName
4'-hexylbiphenyl-4-carbonitrile
http://www.opentox.org/api/1.1#SMILES
CCCCCCc1ccc(cc1)c2ccc(C#N)cc2
http://www.opentox.org/api/1.1#CASRN
500-66-3
http://www.opentox.org/api/1.1#ChemicalName
Olivetol
http://www.opentox.org/api/1.1#IUPACName
5-pentylbenzene-1,3-diol
http://www.opentox.org/api/1.1#SMILES
CCCCCc1cc(O)cc(O)c1
http://www.opentox.org/api/1.1#CASRN
83-26-1
http://www.opentox.org/api/1.1#ChemicalName
Pindone
pindone
http://www.opentox.org/api/1.1#IUPACName
2-(2,2-dimethylpropanoyl)-1H-indene-1,3(2H)-dione
http://www.opentox.org/api/1.1#SMILES
C(=O)(C1C(=O)c2ccccc2C1=O)C(C)(C)C
CC(C)(C)C(=O)C2C(=O)c1ccccc1C2=O
http://www.opentox.org/api/1.1#CASRN
119-64-2
http://www.opentox.org/api/1.1#EINECS
204-340-2
http://www.opentox.org/api/1.1#ChemicalName
1,2,3,4-Tetrahydronaphthalin (German)
1,2,3,4-tetrahydronaphthalene
5,6,7,8-Tetrahydronaphthalene
5,6,7,8-Tetrahydronaphthalin (German)
Benzocyclohexane
Naphthalene, 1,2,3,4-tetrahydro-
THN
Tetrahydronaphthalene
Tetrahydronaphthalin
Tetralin
Tetralin (R)
Tetranap
http://www.opentox.org/api/1.1#IUPACName
1,2,3,4-tetrahydronaphthalene
http://www.opentox.org/api/1.1#IUCLID5_UUID
IUC4-9170b244-d1e0-3e01-84e4-a9e99c3f0ef5
http://www.opentox.org/api/1.1#SMILES
C12=CC=CC=C1CCCC2
c1ccc2CCCCc2c1
c1ccc2c(c1)CCCC2
http://www.opentox.org/api/1.1#CASRN
1421-63-2
http://www.opentox.org/api/1.1#ChemicalName
2',4',5'-Trihydroxybutyrophenone
2,4,5-trihydroxybutyrophenone
http://www.opentox.org/api/1.1#IUPACName
1-(2,4,5-trihydroxyphenyl)butan-1-one
http://www.opentox.org/api/1.1#SMILES
C(=O)(CCC)c1cc(O)c(O)cc1O
Oc1cc(C(=O)CCC)c(O)cc1O
http://www.opentox.org/api/1.1#CASRN
123-01-3
http://www.opentox.org/api/1.1#ChemicalName
Dodecylbenzene
n-dodecylbenzene
http://www.opentox.org/api/1.1#IUPACName
dodecylbenzene
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCCCCCC1=CC=CC=C1
CCCCCCCCCCCCc1ccccc1
http://www.opentox.org/api/1.1#CASRN
529-33-9
http://www.opentox.org/api/1.1#ChemicalName
1,2,3,4-Tetrahydronaphthalen-1-ol
http://www.opentox.org/api/1.1#IUPACName
1,2,3,4-tetrahydronaphthalen-1-ol
http://www.opentox.org/api/1.1#SMILES
OC2C1=C(CCC2)C=CC=C1
http://www.opentox.org/api/1.1#CASRN
529-34-0
http://www.opentox.org/api/1.1#ChemicalName
1,2,3,4-Tetrahydronaphthalen-1-one
1-tetralone
http://www.opentox.org/api/1.1#IUPACName
3,4-dihydronaphthalen-1(2H)-one
http://www.opentox.org/api/1.1#SMILES
O=C2C1=C(CCC2)C=CC=C1
c1ccc2c(c1)CCCC2=O
http://www.opentox.org/api/1.1#CASRN
26264-06-2
http://www.opentox.org/api/1.1#ChemicalName
Calcium dodecylbenzene sulfonate
http://www.opentox.org/api/1.1#IUPACName
calcium bis[4-(1-ethyldecyl)benzenesulfonate]
http://www.opentox.org/api/1.1#SMILES
O=S(C1=CC=C(C(CCCCCCCCC)CC)C=C1)(O)=O
O=S(C1=CC=C(C(CCCCCCCCC)CC)C=C1)([O-])=O.O=S(C2=CC=C(C(CCCCCCCCC)CC)C=C2)([O-])=O.[Ca+2]
OS(=O)(=O)c1ccc(cc1)C(CC)CCCCCCCCC
[Ca+2].O=S([O-])(=O)c1ccc(cc1)C(CC)CCCCCCCCC.CCC(CCCCCCCCC)c1ccc(cc1)S([O-])(=O)=O
http://www.opentox.org/api/1.1#CASRN
27193-28-8
http://www.opentox.org/api/1.1#ChemicalName
(1,1,3,3-Tetramethylbutyl)phenol
http://www.opentox.org/api/1.1#IUPACName
2-(1,1,3,3-tetramethylbutyl)phenol
http://www.opentox.org/api/1.1#SMILES
OC1=C(C(C)(C)CC(C)(C)C)C=CC=C1
http://www.opentox.org/api/1.1#CASRN
27193-86-8
http://www.opentox.org/api/1.1#ChemicalName
Dodecylphenol
http://www.opentox.org/api/1.1#IUPACName
2-dodecylphenol
http://www.opentox.org/api/1.1#SMILES
OC1=C(CCCCCCCCCCCC)C=CC=C1
Oc1ccccc1CCCCCCCCCCCC
http://www.opentox.org/api/1.1#CASRN
66346-01-8
http://www.opentox.org/api/1.1#ChemicalName
3-Pentanone, 1-(4-chlorophenyl)-4,4-dimethyl-
http://www.opentox.org/api/1.1#IUPACName
1-(4-chlorophenyl)-4,4-dimethylpentan-3-one
http://www.opentox.org/api/1.1#SMILES
O=C(C(C)(C)C)CCC1=CC=C(Cl)C=C1
http://www.opentox.org/api/1.1#CASRN
68584-22-5
http://www.opentox.org/api/1.1#ChemicalName
Benzenesulfonic acid, C10-16-alkyl derivs.
http://www.opentox.org/api/1.1#IUPACName
4-(1-ethyldecyl)benzenesulfonic acid
http://www.opentox.org/api/1.1#SMILES
O=S(C1=CC=C(C(CCCCCCCCC)CC)C=C1)(O)=O
http://www.opentox.org/api/1.1#CASRN
84852-15-3
http://www.opentox.org/api/1.1#ChemicalName
4-Nonylphenol, branched
http://www.opentox.org/api/1.1#IUPACName
4-(7-methyloctyl)phenol
http://www.opentox.org/api/1.1#SMILES
OC1=CC=C(CCCCCCC(C)C)C=C1
Oc1ccc(CCCCCCC(C)C)cc1
http://www.opentox.org/api/1.1#CASRN
6742-54-7
http://www.opentox.org/api/1.1#ChemicalName
Undecylbenzene
undecylbenzene
http://www.opentox.org/api/1.1#IUPACName
(1-ethylnonyl)benzene
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCC(CC)C1=CC=CC=C1
CCCCCCCCCCCc1ccccc1
http://www.opentox.org/api/1.1#CASRN
6807-17-6
http://www.opentox.org/api/1.1#ChemicalName
4,4'-(4-Methylpentane-2,2-diyl)diphenol
http://www.opentox.org/api/1.1#IUPACName
4,4'-(4-methylpentane-2,2-diyl)diphenol
http://www.opentox.org/api/1.1#SMILES
OC1=CC=C(C(CC(C)C)(C)C2=CC=C(C=C2)O)C=C1
http://www.opentox.org/api/1.1#CASRN
15721-78-5
http://www.opentox.org/api/1.1#ChemicalName
Benzenamine, 4-(1,1,3,3-tetramethylbutyl)-N-[4-(1,1,3,3-tetramethylbutyl)phenyl]-
http://www.opentox.org/api/1.1#IUPACName
4-(1,1,3,3-tetramethylbutyl)-N-[4-(1,1,3,3-tetramethylbutyl)phenyl]aniline
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)CC(C)(C)C2=CC=C(C=C2)NC1=CC=C(C(C)(C)CC(C)(C)C)C=C1
http://www.opentox.org/api/1.1#CASRN
85-60-9
http://www.opentox.org/api/1.1#ChemicalName
Phenol, 4,4'-butylidenebis[2-(1,1-dimethylethyl)-5-methyl-
http://www.opentox.org/api/1.1#IUPACName
4,4'-butane-1,1-diylbis(2-tert-butyl-5-methylphenol)
http://www.opentox.org/api/1.1#SMILES
OC1=C(C(C)(C)C)C=C(C(CCC)C2=CC(C(C)(C)C)=C(C=C2C)O)C(C)=C1
http://www.opentox.org/api/1.1#CASRN
69669-44-9
http://www.opentox.org/api/1.1#ChemicalName
Benzenesulfonic acid, C10-14-alkyl derivs., sodium salts
http://www.opentox.org/api/1.1#IUPACName
sodium 4-(1-ethyldecyl)benzenesulfonate
http://www.opentox.org/api/1.1#SMILES
O=S(C1=CC=C(C(CCCCCCCCC)CC)C=C1)(O)=O
O=S(C1=CC=C(C(CCCCCCCCC)CC)C=C1)([O-])=O.[Na+]
http://www.opentox.org/api/1.1#CASRN
25316-40-9
NOCAS_45111
http://www.opentox.org/api/1.1#ChemicalName
Adriamycin hydrochloride
Adriamycin hydrochloride-DNA complex
http://www.opentox.org/api/1.1#IUPACName
(1S,3S)-3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranoside hydrochloride
http://www.opentox.org/api/1.1#SMILES
OC[C@@]([C@@](C[C@@H](C4=C(C(C(C2=C(C=CC=C23)OC)=O)=C(C(O)=C4C5)C3=O)O)O[C@H](O1)C[C@@H]([C@@H]([C@@H]1C)O)N)5O)=O
OC[C@@]([C@@](C[C@@H](C4=C(C(C(C2=C(C=CC=C23)OC)=O)=C(C(O)=C4C5)C3=O)O)O[C@H](O1)C[C@@H]([C@@H]([C@@H]1C)O)N)5O)=O.Cl
http://www.opentox.org/api/1.1#CASRN
8067-24-1
http://www.opentox.org/api/1.1#ChemicalName
Hydergine
http://www.opentox.org/api/1.1#IUPACName
(5'a,10a)-12'-hydroxy-2',5'-diisopropyl-3',6',18-trioxo-9,10-dihydroergotaman methanesulfonate (salt)
http://www.opentox.org/api/1.1#SMILES
O=C1N([C@@H]([C@@H](C)C)C(N3CCC[C@@]23[H])=O)[C@@]2(O)O[C@]([C@@H](C)C)1N[C@]([C@@H]6C[C@]([C@]7([H])N(C)C6)([H])C5=C4C(C7)=CNC4=CC=C5)=O
O=C1N([C@@H]([C@@H](C)C)C(N3CCC[C@@]23[H])=O)[C@@]2(O)O[C@]([C@@H](C)C)1N[C@]([C@@H]6C[C@]([C@]7([H])N(C)C6)([H])C5=C4C(C7)=CNC4=CC=C5)=O.O=S(O)(C)=O
http://www.opentox.org/api/1.1#CASRN
107534-96-3
http://www.opentox.org/api/1.1#ChemicalName
Tebuconazole
tebuconazole
http://www.opentox.org/api/1.1#IUPACName
1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O
ClC1=CC=C(CCC(C(C)(C)C)(CN2N=CN=C2)O)C=C1
OC(C(C)(C)C)(CN2N=CN=C2)CCC1=CC=C(Cl)C=C1
OC(Cn1cncn1)(CCc2ccc(Cl)cc2)C(C)(C)C
http://www.opentox.org/api/1.1#CASRN
3691-35-8
http://www.opentox.org/api/1.1#ChemicalName
Chlorophacinone
chlorophacinone
http://www.opentox.org/api/1.1#IUPACName
2-[(4-chlorophenyl)(phenyl)acetyl]-1H-indene-1,3(2H)-dione
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(cc1)C(c2ccccc2)C(=O)C4C(=O)c3ccccc3C4=O
O=C(C1C(C(C4=CC=C(Cl)C=C4)C3=CC=CC=C3)=O)C2=C(C=CC=C2)C1=O
http://www.opentox.org/api/1.1#CASRN
82-66-6
http://www.opentox.org/api/1.1#ChemicalName
Diphacinone
diphacinone
http://www.opentox.org/api/1.1#IUPACName
2-(diphenylacetyl)-1H-indene-1,3(2H)-dione
http://www.opentox.org/api/1.1#SMILES
O=C1C(C(C(C4=CC=CC=C4)C3=CC=CC=C3)=O)C(C2=C1C=CC=C2)=O
O=C2c1ccccc1C(=O)C2C(=O)C(c3ccccc3)c4ccccc4
http://www.opentox.org/api/1.1#CASRN
116255-48-2
http://www.opentox.org/api/1.1#ChemicalName
Bromuconazole
bromuconazole
http://www.opentox.org/api/1.1#IUPACName
2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol
http://www.opentox.org/api/1.1#SMILES
BrC1CC(CN2N=CN=C2)(C3=C(Cl)C=C(Cl)C=C3)OC1
BrC2CC(Cn1cncn1)(OC2)c3ccc(Cl)cc3Cl
http://www.opentox.org/api/1.1#CASRN
28772-56-7
http://www.opentox.org/api/1.1#ChemicalName
Bromadiolone
http://www.opentox.org/api/1.1#IUPACName
3-[3-(4'-bromobiphenyl-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-chromen-2-one
http://www.opentox.org/api/1.1#SMILES
C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O
O=C1C(C(C3=CC=CC=C3)CC(O)C(C=C4)=CC=C4C2=CC=C(Br)C=C2)=C(O)C(C=CC=C5)=C5O1
http://www.opentox.org/api/1.1#CASRN
23541-50-6
http://www.opentox.org/api/1.1#ChemicalName
Daunomycin hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranoside hydrochloride
http://www.opentox.org/api/1.1#SMILES
O=C1C(C(O)=C(C[C@]([C@](C)=O)(O)C5)C([C@H]5O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)=C3O)=C3C(C2=C1C=CC=C2OC)=O
O=C1C(C(O)=C(C[C@]([C@](C)=O)(O)C5)C([C@H]5O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)=C3O)=C3C(C2=C1C=CC=C2OC)=O.Cl
http://www.opentox.org/api/1.1#CASRN
587-63-3
http://www.opentox.org/api/1.1#ChemicalName
Dihydrokavain
http://www.opentox.org/api/1.1#IUPACName
4-methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
http://www.opentox.org/api/1.1#SMILES
O=C1OC(CCC2=CC=CC=C2)CC(OC)=C1
http://www.opentox.org/api/1.1#CASRN
104-40-5
http://www.opentox.org/api/1.1#ChemicalName
4-Nonylphenol
4-n-nonylphenol
http://www.opentox.org/api/1.1#IUPACName
4-nonylphenol
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCCC1=CC=C(O)C=C1
CCCCCCCCCc1ccc(cc1)O
Oc1ccc(CCCCCCCCC)cc1
http://www.opentox.org/api/1.1#CASRN
12771-68-5
http://www.opentox.org/api/1.1#ChemicalName
Ancymidol
ancymidol
http://www.opentox.org/api/1.1#IUPACName
cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol
http://www.opentox.org/api/1.1#SMILES
OC(C1CC1)(c2cncnc2)c3ccc(OC)cc3
OC(C2=CN=CN=C2)(C(C=C3)=CC=C3OC)C1CC1
http://www.opentox.org/api/1.1#CASRN
125116-23-6
http://www.opentox.org/api/1.1#ChemicalName
Metconazole
metconazole
http://www.opentox.org/api/1.1#IUPACName
5-(4-chlorobenzyl)-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol
http://www.opentox.org/api/1.1#SMILES
CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C
Clc1ccc(cc1)CC3CCC(C)(C)C3(O)Cn2cncn2
OC1(CN3N=CN=C3)C(C)(C)CCC1CC2=CC=C(Cl)C=C2
http://www.opentox.org/api/1.1#CASRN
125225-28-7
http://www.opentox.org/api/1.1#ChemicalName
Ipconazole
ipconazole
http://www.opentox.org/api/1.1#IUPACName
2-(4-chlorobenzyl)-5-isopropyl-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(cc1)CC3CCC(C(C)C)C3(O)Cn2cncn2
OC1(CN3N=CN=C3)C(CC2=CC=C(Cl)C=C2)CCC1C(C)C
http://www.opentox.org/api/1.1#CASRN
129-06-6
http://www.opentox.org/api/1.1#ChemicalName
Sodium warfarin
http://www.opentox.org/api/1.1#IUPACName
sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-4-olate
http://www.opentox.org/api/1.1#SMILES
C1=CC=C3C(=C1)OC(=O)C(C(CC(C)=O)C2=CC=CC=C2)=C3O
CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3
O=C2OC1=CC=CC=C1C([O-])=C2C(C3=CC=CC=C3)CC(C)=O.[Na+]
[Na+].CC(=O)CC(C1=C([O-])c2ccccc2OC1=O)c3ccccc3
http://www.opentox.org/api/1.1#CASRN
3572-06-3
http://www.opentox.org/api/1.1#ChemicalName
4-(4-(Acetyloxy)phenyl)-2-butanone
http://www.opentox.org/api/1.1#IUPACName
4-(3-oxobutyl)phenyl acetate
http://www.opentox.org/api/1.1#SMILES
O=C(C)OC1=CC=C(CCC(C)=O)C=C1
http://www.opentox.org/api/1.1#CASRN
39300-45-3
http://www.opentox.org/api/1.1#ChemicalName
Dinocap
http://www.opentox.org/api/1.1#IUPACName
2-(6-methylheptyl)-4,6-dinitrophenyl (2E)-but-2-enoate
http://www.opentox.org/api/1.1#SMILES
O=C(OC1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1CCCCCC(C)C)/C=C/C
O=C(Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)CCCCCC(C)C)\C=C\C
[#8-][N+]([#117])=O.[#6]CCCCCC([#6])[#117].[#6]\C=C\C(=O)OC1=C(C=CC=C1)[N+]([#8-])=O
http://www.opentox.org/api/1.1#CASRN
163520-33-0
http://www.opentox.org/api/1.1#ChemicalName
Isoxadifen-ethyl
http://www.opentox.org/api/1.1#IUPACName
ethyl 5,5-diphenyl-4,5-dihydroisoxazole-3-carboxylate
http://www.opentox.org/api/1.1#SMILES
CCOC(=O)C=1CC(ON=1)(c2ccccc2)c3ccccc3
O=C(OCC)C1=NOC(C2=CC=CC=C2)(C3=CC=CC=C3)C1
http://www.opentox.org/api/1.1#CASRN
130-37-0
http://www.opentox.org/api/1.1#ChemicalName
Menadione sodium bisulfite
http://www.opentox.org/api/1.1#IUPACName
sodium 2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonate
http://www.opentox.org/api/1.1#SMILES
OS(C(CC1=O)(C)C(C2=C1C=CC=C2)=O)(=O)=O
[O-]S(C(CC1=O)(C)C(C2=C1C=CC=C2)=O)(=O)=O.[Na+]
http://www.opentox.org/api/1.1#CASRN
33228-44-3
http://www.opentox.org/api/1.1#ChemicalName
4-Pentylaniline
http://www.opentox.org/api/1.1#IUPACName
4-pentylaniline
http://www.opentox.org/api/1.1#SMILES
NC1=CC=C(CCCCC)C=C1
Nc1ccc(CCCCC)cc1
http://www.opentox.org/api/1.1#CASRN
33228-45-4
http://www.opentox.org/api/1.1#ChemicalName
4-Hexylaniline
http://www.opentox.org/api/1.1#IUPACName
4-hexylaniline
http://www.opentox.org/api/1.1#SMILES
NC1=CC=C(CCCCCC)C=C1
Nc1ccc(CCCCCC)cc1
http://www.opentox.org/api/1.1#CASRN
102121-60-8
http://www.opentox.org/api/1.1#ChemicalName
AM580
http://www.opentox.org/api/1.1#IUPACName
4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid
http://www.opentox.org/api/1.1#SMILES
O=C(NC3=CC=C(C(O)=O)C=C3)C2=CC1=C(C=C2)C(C)(C)CCC(C)1C
http://www.opentox.org/api/1.1#CASRN
1716-12-7
http://www.opentox.org/api/1.1#ChemicalName
Sodium 4-phenylbutyrate
http://www.opentox.org/api/1.1#IUPACName
sodium 4-phenylbutanoate
http://www.opentox.org/api/1.1#SMILES
O=C(CCCC1=CC=CC=C1)O
O=C(CCCC1=CC=CC=C1)[O-].[Na+]
http://www.opentox.org/api/1.1#CASRN
1444-64-0
http://www.opentox.org/api/1.1#ChemicalName
2-Phenylcyclohexanol
http://www.opentox.org/api/1.1#IUPACName
2-phenylcyclohexanol
http://www.opentox.org/api/1.1#SMILES
OC1C(C2=CC=CC=C2)CCCC1
http://www.opentox.org/api/1.1#CASRN
87-26-3
http://www.opentox.org/api/1.1#ChemicalName
2-(1-Methylbutyl)phenol
http://www.opentox.org/api/1.1#IUPACName
2-(pentan-2-yl)phenol
http://www.opentox.org/api/1.1#SMILES
OC1=C(C(CCC)C)C=CC=C1
http://www.opentox.org/api/1.1#CASRN
4468-42-2
http://www.opentox.org/api/1.1#ChemicalName
3-Phenylhexane
benzene, (1-ethylbutyl)-
http://www.opentox.org/api/1.1#IUPACName
hexan-3-ylbenzene
http://www.opentox.org/api/1.1#SMILES
CCC(C1=CC=CC=C1)CCC
CCC(CCC)c1ccccc1
http://www.opentox.org/api/1.1#CASRN
13347-42-7
http://www.opentox.org/api/1.1#ChemicalName
4-Chloro-2-cyclopentylphenol
http://www.opentox.org/api/1.1#IUPACName
4-chloro-2-cyclopentylphenol
http://www.opentox.org/api/1.1#SMILES
OC1=C(C2CCCC2)C=C(Cl)C=C1
http://www.opentox.org/api/1.1#CASRN
25638-17-9
http://www.opentox.org/api/1.1#ChemicalName
Butylnaphthalenesulfonic acid sodium salt
http://www.opentox.org/api/1.1#IUPACName
7-butylnaphthalene-1-sulfonic acid
http://www.opentox.org/api/1.1#SMILES
O=S(=O)(O)c2cccc1ccc(cc12)CCCC
O=S(C2=C1C=C(CCCC)C=CC1=CC=C2)(O)=O
O=S(C2=C1C=C(CCCC)C=CC1=CC=C2)([O-])=O.[Na+]
[Na+].[O-]S(=O)(=O)c2cccc1ccc(cc12)CCCC
http://www.opentox.org/api/1.1#CASRN
81-82-3
http://www.opentox.org/api/1.1#ChemicalName
Coumachlor
coumachlor
http://www.opentox.org/api/1.1#IUPACName
3-[1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxy-2H-chromen-2-one
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(cc1)C(CC(C)=O)C2=C(O)c3ccccc3OC2=O
O=C1C(C(CC(C)=O)C2=CC=C(Cl)C=C2)=C(O)C(C=CC=C3)=C3O1
http://www.opentox.org/api/1.1#CASRN
5836-29-3
http://www.opentox.org/api/1.1#ChemicalName
Coumatetralyl
endrocide (endox) (coumatetralyl)
http://www.opentox.org/api/1.1#IUPACName
4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-chromen-2-one
http://www.opentox.org/api/1.1#SMILES
OC(C(C=CC=C4)=C4O3)=C(C3=O)C1C(C=CC=C2)=C2CCC1
OC=1c4ccccc4OC(=O)C=1C3CCCc2ccccc23
http://www.opentox.org/api/1.1#CASRN
80443-63-6
http://www.opentox.org/api/1.1#ChemicalName
Oxirane, 2-[2-(4-chlorophenyl)ethyl]-2-(1,1-dimethylethyl)-
http://www.opentox.org/api/1.1#IUPACName
2-tert-butyl-2-[2-(4-chlorophenyl)ethyl]oxirane
http://www.opentox.org/api/1.1#SMILES
ClC(C=C2)=CC=C2CCC1(C(C)(C)C)OC1
http://www.opentox.org/api/1.1#CASRN
66246-88-6
http://www.opentox.org/api/1.1#ChemicalName
Penconazole
penconazole
http://www.opentox.org/api/1.1#IUPACName
1-[2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole
http://www.opentox.org/api/1.1#SMILES
CCCC(CN1C=NC=N1)C1=C(Cl)C=C(Cl)C=C1
ClC2=C(C=CC(Cl)=C2)C(CCC)CN1N=CN=C1
Clc2ccc(C(CCC)Cn1cncn1)c(Cl)c2
http://www.opentox.org/api/1.1#CASRN
2610-86-8
http://www.opentox.org/api/1.1#ChemicalName
Potassium warfarin
http://www.opentox.org/api/1.1#IUPACName
potassium 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-chromen-4-olate
http://www.opentox.org/api/1.1#SMILES
O=C1C(C(C2=CC=CC=C2)CC(C)=O)=C(O)C(C=CC=C3)=C3O1
O=C1C(C(C2=CC=CC=C2)CC(C)=O)=C([O-])C(C=CC=C3)=C3O1.[K+]
http://www.opentox.org/api/1.1#CASRN
16489-90-0
http://www.opentox.org/api/1.1#ChemicalName
6-Ethoxy-2,3,4-trimethyl-1,2,3,4-tetrahydroquinoline
http://www.opentox.org/api/1.1#IUPACName
6-ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
http://www.opentox.org/api/1.1#SMILES
CC2(C)NC1=CC=C(OCC)C=C1C(C)C2
http://www.opentox.org/api/1.1#CASRN
83-28-3
http://www.opentox.org/api/1.1#ChemicalName
2-Isovaleryl-1,3-indanedione
valone
http://www.opentox.org/api/1.1#IUPACName
2-(3-methylbutanoyl)-1H-indene-1,3(2H)-dione
http://www.opentox.org/api/1.1#SMILES
CC(C)CC(=O)C2C(=O)c1ccccc1C2=O
O=C(C2=C1C=CC=C2)C(C(CC(C)C)=O)C1=O
http://www.opentox.org/api/1.1#CASRN
17692-51-2
http://www.opentox.org/api/1.1#ChemicalName
Metergoline
http://www.opentox.org/api/1.1#IUPACName
benzyl {[(8beta)-1,6-dimethylergolin-8-yl]methyl}carbamate
http://www.opentox.org/api/1.1#SMILES
[H][C@@]([C@@](N(C)C4)([H])C3)(C[C@H]4CNC(OCC5=CC=CC=C5)=O)C1=C(C3=CN2C)C2=CC=C1
http://www.opentox.org/api/1.1#CASRN
NOCAS_42592
http://www.opentox.org/api/1.1#ChemicalName
Altanserin hydrochloride
http://www.opentox.org/api/1.1#IUPACName
3-(2-{4-[(4-fluorophenyl)carbonyl]piperidin-1-yl}ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one hydrochloride
http://www.opentox.org/api/1.1#SMILES
FC1=CC=C(C(C2CCN(CCN4C(C3=CC=CC=C3NC4=S)=O)CC2)=O)C=C1
FC1=CC=C(C(C2CCN(CCN4C(C3=CC=CC=C3NC4=S)=O)CC2)=O)C=C1.Cl
http://www.opentox.org/api/1.1#CASRN
103177-37-3
http://www.opentox.org/api/1.1#ChemicalName
Pranlukast
http://www.opentox.org/api/1.1#IUPACName
N-[4-oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutoxy)benzamide
http://www.opentox.org/api/1.1#SMILES
O=C(NC3=C4C(C(C=C(C5=NN=NN5)O4)=O)=CC=C3)C(C=C2)=CC=C2OCCCCC1=CC=CC=C1
http://www.opentox.org/api/1.1#CASRN
112108-01-7
http://www.opentox.org/api/1.1#ChemicalName
Ecopipam
http://www.opentox.org/api/1.1#IUPACName
(6aS,13bR)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-12-ol hydrobromide
http://www.opentox.org/api/1.1#SMILES
ClC4=CC3=[C@@](C=C4O)[C@H]2C1=CC=CC=C1CC[C@@H]2N(C)CC3
http://www.opentox.org/api/1.1#CASRN
116666-63-8
http://www.opentox.org/api/1.1#ChemicalName
Mibefradil dihydrochloride
http://www.opentox.org/api/1.1#IUPACName
(1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate dihydrochloride
http://www.opentox.org/api/1.1#SMILES
C[C@@H](C)[C@H]1C3=C(C=C(F)C=C3)CC[C@@](OC(COC)=O)1CCN(C)CCCC4=NC2=C(N4)C=CC=C2
C[C@@H](C)[C@H]1C3=C(C=C(F)C=C3)CC[C@@](OC(COC)=O)1CCN(C)CCCC4=NC2=C(N4)C=CC=C2.Cl.Cl
http://www.opentox.org/api/1.1#CASRN
157810-81-6
http://www.opentox.org/api/1.1#ChemicalName
Indinavir sulfate
http://www.opentox.org/api/1.1#IUPACName
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide sulfate (salt)
http://www.opentox.org/api/1.1#SMILES
O[C@H](CN1CCN(CC4=CC=CN=C4)C[C@H]1[C@@](NC(C)(C)C)=O)C[C@@H](CC5=CC=CC=C5)C(N[C@@H]2[C@H](O)CC3=C2C=CC=C3)=O
O[C@H](CN1CCN(CC4=CC=CN=C4)C[C@H]1[C@@](NC(C)(C)C)=O)C[C@@H](CC5=CC=CC=C5)C(N[C@@H]2[C@H](O)CC3=C2C=CC=C3)=O.O=S(O)(O)=O
http://www.opentox.org/api/1.1#CASRN
82586-52-5
http://www.opentox.org/api/1.1#ChemicalName
Moexipril hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(3S)-2-{N-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride
http://www.opentox.org/api/1.1#SMILES
O=[C@](O)[C@@H]2CC1=C(CN2C([C@H](C)N[C@@H](CCC3=CC=CC=C3)[C@](OCC)=O)=O)C=C(OC)C(OC)=C1
O=[C@](O)[C@@H]2CC1=C(CN2C([C@H](C)N[C@@H](CCC3=CC=CC=C3)[C@](OCC)=O)=O)C=C(OC)C(OC)=C1.Cl
http://www.opentox.org/api/1.1#CASRN
94841-17-5
http://www.opentox.org/api/1.1#ChemicalName
Spirapril hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(8S)-7-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid hydrochloride
http://www.opentox.org/api/1.1#SMILES
O=[C@@](OCC)[C@@H](N[C@@H](C)C(N2CC3(SCCS3)C[C@H]2[C@@](O)=O)=O)CCC1=CC=CC=C1
O=[C@@](OCC)[C@@H](N[C@@H](C)C(N2CC3(SCCS3)C[C@H]2[C@@](O)=O)=O)CCC1=CC=CC=C1.Cl
http://www.opentox.org/api/1.1#CASRN
5471-51-2
http://www.opentox.org/api/1.1#ChemicalName
4-(4-Hydroxyphenyl)butan-2-one
4-(4-hydroxyphenyl)-2-butanone
Hydroxybenxyl acetone
http://www.opentox.org/api/1.1#IUPACName
4-(4-hydroxyphenyl)butan-2-one
http://www.opentox.org/api/1.1#SMILES
CC(=O)CCC1=CC=C(O)C=C1
CC(=O)CCc1ccc(cc1)O
O=C(CCC1=CC=C(O)C=C1)C
http://www.opentox.org/api/1.1#CASRN
10347-81-6
http://www.opentox.org/api/1.1#ChemicalName
Maprotiline hydrochloride
http://www.opentox.org/api/1.1#IUPACName
3-(9,10-ethanoanthracen-9(10H)-yl)-N-methylpropan-1-amine hydrochloride
http://www.opentox.org/api/1.1#SMILES
CNCCCC1(C3=C2C=CC=C3)C(C=CC=C4)=C4C2CC1
CNCCCC1(C3=C2C=CC=C3)C(C=CC=C4)=C4C2CC1.Cl
http://www.opentox.org/api/1.1#CASRN
116-66-5
http://www.opentox.org/api/1.1#ChemicalName
1,1,3,3,5-Pentamethyl-4,6-dinitro-2,3-dihydro-1H-indene
moskene
http://www.opentox.org/api/1.1#IUPACName
1,1,3,3,5-pentamethyl-4,6-dinitro-2,3-dihydro-1H-indene
http://www.opentox.org/api/1.1#SMILES
[O-][N+](=O)c1cc2c(c(c1C)[N+]([O-])=O)C(C)(C)CC2(C)C
[O-][N+](C1=C(C(C)(C)CC(C)2C)C2=CC([N+]([O-])=O)=C1C)=O
http://www.opentox.org/api/1.1#CASRN
13171-00-1
http://www.opentox.org/api/1.1#ChemicalName
1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone
http://www.opentox.org/api/1.1#IUPACName
1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone
http://www.opentox.org/api/1.1#SMILES
CC(=O)c2cc(cc1c2CCC1(C)C)C(C)(C)C
O=C(C1=CC(C(C)(C)C)=CC2=C1CCC(C)2C)C
http://www.opentox.org/api/1.1#CASRN
13614-98-7
http://www.opentox.org/api/1.1#ChemicalName
Minocycline hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
O=C(C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@]([H])1C[C@@]([H])2CC4=C3C(O)=CC=C4N(C)C)[C@@]1(O)C(O)=C2C3=O
O=C(C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@]([H])1C[C@@]([H])2CC4=C3C(O)=CC=C4N(C)C)[C@@]1(O)C(O)=C2C3=O.Cl
http://www.opentox.org/api/1.1#CASRN
32780-64-6
http://www.opentox.org/api/1.1#ChemicalName
Labetalol hydrochloride
http://www.opentox.org/api/1.1#IUPACName
2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
OC(CNC(C)CCC2=CC=CC=C2)C1=CC(C(N)=O)=C(O)C=C1
OC(CNC(C)CCC2=CC=CC=C2)C1=CC(C(N)=O)=C(O)C=C1.Cl
http://www.opentox.org/api/1.1#CASRN
947-19-3
http://www.opentox.org/api/1.1#ChemicalName
(1-Hydroxycyclohexyl)(phenyl)methanone
1-hydroxycyclohexyl phenyl ketone
http://www.opentox.org/api/1.1#IUPACName
(1-hydroxycyclohexyl)(phenyl)methanone
http://www.opentox.org/api/1.1#SMILES
O=C(C2=CC=CC=C2)C1(O)CCCCC1
c1ccc(cc1)C(=O)C2(CCCCC2)O
http://www.opentox.org/api/1.1#CASRN
119313-12-1
http://www.opentox.org/api/1.1#ChemicalName
2-Benzyl-2-(dimethylamino)-1-[4-(morpholin-4-yl)phenyl]butan-1-one
http://www.opentox.org/api/1.1#IUPACName
2-benzyl-2-(dimethylamino)-1-[4-(morpholin-4-yl)phenyl]butan-1-one
http://www.opentox.org/api/1.1#SMILES
O=C(C2=CC=C(N3CCOCC3)C=C2)C(N(C)C)(CC)CC1=CC=CC=C1
http://www.opentox.org/api/1.1#CASRN
64-72-2
http://www.opentox.org/api/1.1#ChemicalName
Chlortetracycline hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
O=C(C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@]([H])1C[C@@]([H])2[C@@](O)(C)C4=C3C(O)=CC=C4Cl)[C@@]1(O)C(O)=C2C3=O.Cl
http://www.opentox.org/api/1.1#CASRN
4995-43-1
http://www.opentox.org/api/1.1#ChemicalName
Estradiol phosphate
http://www.opentox.org/api/1.1#IUPACName
(17beta)-3-hydroxyestra-1(10),2,4-trien-17-yl dihydrogen phosphate
http://www.opentox.org/api/1.1#SMILES
O=P(O)(O)O[C@@H]4[C@]3(C)[C@](CC4)([H])[C@]2([H])CCC1=CC(O)=CC=C1[C@]([H])2CC3
http://www.opentox.org/api/1.1#CASRN
NOCAS_45108
http://www.opentox.org/api/1.1#ChemicalName
1-(3-Carboxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid - strychnidin-10-one (1:1)
http://www.opentox.org/api/1.1#IUPACName
1-(3-carboxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid - strychnidin-10-one (1:1)
http://www.opentox.org/api/1.1#SMILES
O=C(O)C1=C(C)N(C2=CC=CC(C(O)=O)=C2)C(C)=C1.O=C4N7[C@@]5([H])[C@@]3([H])[C@](C[C@]6([H])N(C9)CC[C@]56C8=C7C=CC=C8)([H])C9=CCO[C@]([H])3C4
http://www.opentox.org/api/1.1#CASRN
NOCAS_45112
http://www.opentox.org/api/1.1#ChemicalName
N-(5,6,7,8-Tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine 4-methylbenzenesulfonate
http://www.opentox.org/api/1.1#IUPACName
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine 4-methylbenzenesulfonate
http://www.opentox.org/api/1.1#SMILES
C3(CCCCC3=CC=C4)=C4NC2=NCCN2
OS(C(C=C1)=CC=C1C)(=O)=O.C3(CCCCC3=CC=C4)=C4NC2=NCCN2
http://www.opentox.org/api/1.1#CASRN
89197-32-0
http://www.opentox.org/api/1.1#ChemicalName
Efaroxan
http://www.opentox.org/api/1.1#IUPACName
2-(2-ethyl-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
http://www.opentox.org/api/1.1#SMILES
CCC2(C3=NCCN3)CC1=C(O2)C=CC=C1
http://www.opentox.org/api/1.1#CASRN
84243-58-3
http://www.opentox.org/api/1.1#ChemicalName
Imazodan
http://www.opentox.org/api/1.1#IUPACName
6-[4-(1H-imidazol-1-yl)phenyl]-4,5-dihydropyridazin-3(2H)-one
http://www.opentox.org/api/1.1#SMILES
O=C1CCC(C2=CC=C(N3C=CN=C3)C=C2)=NN1
http://www.opentox.org/api/1.1#CASRN
68767-14-6
http://www.opentox.org/api/1.1#ChemicalName
Loxoprofen
http://www.opentox.org/api/1.1#IUPACName
2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid
http://www.opentox.org/api/1.1#SMILES
OC(C(C2=CC=C(C=C2)CC1CCCC1=O)C)=O
http://www.opentox.org/api/1.1#CASRN
75444-65-4
http://www.opentox.org/api/1.1#ChemicalName
Pirenperone
http://www.opentox.org/api/1.1#IUPACName
3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
http://www.opentox.org/api/1.1#SMILES
O=C2N1C=CC=CC1=NC(C)=C2CCN3CCC(C(C4=CC=C(F)C=C4)=O)CC3
http://www.opentox.org/api/1.1#CASRN
115344-47-3
http://www.opentox.org/api/1.1#ChemicalName
Siguazodan
http://www.opentox.org/api/1.1#IUPACName
1-cyano-3-methyl-2-[4-(4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl]guanidine
http://www.opentox.org/api/1.1#SMILES
N#CN/C(NC)=N/C1=CC=C(C2=NNC(CC2C)=O)C=C1
http://www.opentox.org/api/1.1#CASRN
749-02-0
http://www.opentox.org/api/1.1#ChemicalName
Spiperone
spiperone
http://www.opentox.org/api/1.1#IUPACName
8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
http://www.opentox.org/api/1.1#SMILES
Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4
O=C1C2(CCN(CCCC(C(C=C4)=CC=C4F)=O)CC2)N(C3=CC=CC=C3)CN1
http://www.opentox.org/api/1.1#CASRN
64-73-3
http://www.opentox.org/api/1.1#ChemicalName
Demeclocycline hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
O=C(C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@]([H])1C[C@@]([H])2[C@H](O)C4=C3C(O)=CC=C4Cl)[C@@]1(O)C(O)=C2C3=O
O=C(C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@]([H])1C[C@@]([H])2[C@H](O)C4=C3C(O)=CC=C4Cl)[C@@]1(O)C(O)=C2C3=O.Cl
http://www.opentox.org/api/1.1#CASRN
115-46-8
http://www.opentox.org/api/1.1#ChemicalName
Azacyclonol
azacyclonol
http://www.opentox.org/api/1.1#IUPACName
diphenyl(piperidin-4-yl)methanol
http://www.opentox.org/api/1.1#SMILES
OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3CCNCC3
OC(C1CCNCC1)(c2ccccc2)c3ccccc3
http://www.opentox.org/api/1.1#CASRN
522-48-5
http://www.opentox.org/api/1.1#ChemicalName
Tetrahydrozoline hydrochloride
http://www.opentox.org/api/1.1#IUPACName
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
C1(C(CCC3)C2=C3C=CC=C2)=NCCN1
C1(C(CCC3)C2=C3C=CC=C2)=NCCN1.Cl
http://www.opentox.org/api/1.1#CASRN
602-41-5
http://www.opentox.org/api/1.1#ChemicalName
Thiocolchicoside
http://www.opentox.org/api/1.1#IUPACName
N-[(7S)-3-(beta-D-glucopyranosyloxy)-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
http://www.opentox.org/api/1.1#SMILES
O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC2=CC(CC[C@H](NC(C)=O)C3=CC4=O)=C(C3=CC=C4SC)C(OC)=C2OC)[C@@H]1O
http://www.opentox.org/api/1.1#CASRN
992-21-2
http://www.opentox.org/api/1.1#ChemicalName
Lymecycline
http://www.opentox.org/api/1.1#IUPACName
1-(3,4-diethoxybenzyl)-6,7-diethoxyisoquinoline hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
Cl.CCOc1ccc(cc1OCC)Cc3nccc2cc(OCC)c(cc23)OCC
http://www.opentox.org/api/1.1#CASRN
1508-65-2
http://www.opentox.org/api/1.1#ChemicalName
Oxybutynin chloride
http://www.opentox.org/api/1.1#IUPACName
4-(diethylamino)but-2-yn-1-yl cyclohexyl(hydroxy)phenylacetate hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
Cl.OC(C(=O)OCC#CCN(CC)CC)(c1ccccc1)C2CCCCC2
OC(C(=O)OCC#CCN(CC)CC)(c1ccccc1)C2CCCCC2
http://www.opentox.org/api/1.1#CASRN
1508-76-5
http://www.opentox.org/api/1.1#ChemicalName
Procyclidine hydrochloride
http://www.opentox.org/api/1.1#IUPACName
1-cyclohexyl-1-phenyl-3-(pyrrolidin-1-yl)propan-1-ol hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
Cl.OC(CCN1CCCC1)(c2ccccc2)C3CCCCC3
OC(CCN1CCCC1)(c2ccccc2)C3CCCCC3
http://www.opentox.org/api/1.1#CASRN
1553-34-0
http://www.opentox.org/api/1.1#ChemicalName
Metixene hydrochloride
http://www.opentox.org/api/1.1#IUPACName
1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
CN1CCCC(C1)CC2c4ccccc4Sc3ccccc23
Cl.CN1CCCC(C1)CC2c4ccccc4Sc3ccccc23
http://www.opentox.org/api/1.1#CASRN
1649-18-9
http://www.opentox.org/api/1.1#ChemicalName
Azaperone
azaperone
http://www.opentox.org/api/1.1#IUPACName
1-(4-fluorophenyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butan-1-one
http://www.opentox.org/api/1.1#SMILES
FC1=CC=C(C=C1)C(=O)CCCN2CCN(CC2)C3=NC=CC=C3
Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3
http://www.opentox.org/api/1.1#CASRN
2062-84-2
http://www.opentox.org/api/1.1#ChemicalName
Benperidol
benperidol
http://www.opentox.org/api/1.1#IUPACName
1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
http://www.opentox.org/api/1.1#SMILES
Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)N3c4ccccc4NC3=O
Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)n3c(=O)[nH]c4ccccc34
http://www.opentox.org/api/1.1#CASRN
3416-26-0
http://www.opentox.org/api/1.1#ChemicalName
Lidoflazine
lidoflazine
http://www.opentox.org/api/1.1#IUPACName
2-{4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl}-N-(2,6-dimethylphenyl)acetamide
http://www.opentox.org/api/1.1#SMILES
Cc1cccc(C)c1NC(=O)CN4CCN(CCCC(c2ccc(F)cc2)c3ccc(F)cc3)CC4
Cc4cccc(C)c4NC(=O)CN3CCN(CCCC(c1ccc(F)cc1)c2ccc(F)cc2)CC3
http://www.opentox.org/api/1.1#CASRN
3963-95-9
http://www.opentox.org/api/1.1#ChemicalName
Methacycline hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(4S,4aR,5S,5aR,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylidene-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
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
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
http://www.opentox.org/api/1.1#CASRN
5870-29-1
http://www.opentox.org/api/1.1#ChemicalName
Cyclopentolate hydrochloride
http://www.opentox.org/api/1.1#IUPACName
2-(dimethylamino)ethyl (1-hydroxycyclopentyl)(phenyl)acetate hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
Cl.OC1(CCCC1)C(C(=O)OCCN(C)C)c2ccccc2
OC1(CCCC1)C(C(=O)OCCN(C)C)c2ccccc2
http://www.opentox.org/api/1.1#CASRN
10592-13-9
http://www.opentox.org/api/1.1#ChemicalName
Doxycycline hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
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
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
http://www.opentox.org/api/1.1#CASRN
11032-49-8
863-61-6
http://www.opentox.org/api/1.1#ChemicalName
Menatetrenone
Vitamin K2
http://www.opentox.org/api/1.1#IUPACName
2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]naphthalene-1,4-dione
http://www.opentox.org/api/1.1#SMILES
C/C(C)=C\CCC(\C)=C\CCC(\C)=C\CCC(\C)=C\CC2=C(C)C(=O)c1ccccc1C2=O
http://www.opentox.org/api/1.1#CASRN
14255-87-9
http://www.opentox.org/api/1.1#ChemicalName
Parbendazole
http://www.opentox.org/api/1.1#IUPACName
methyl (5-butyl-1H-benzimidazol-2-yl)carbamate
http://www.opentox.org/api/1.1#SMILES
O=C(OC)Nc1nc2ccc(cc2n1)CCCC
http://www.opentox.org/api/1.1#CASRN
15180-03-7
http://www.opentox.org/api/1.1#ChemicalName
Alcuronium chloride
http://www.opentox.org/api/1.1#IUPACName
(1R,3aR,9Z,10S,11aS,12S,14aS,19aR,20Z,20bR,21R,22aR,23E,24S,25R,26E)-23,26-bis(2-hydroxyethylidene)-24,25-di(prop-2-en-1-yl)-1,2,3,10,11,11a,12,13,14,21,22,22a-dodecahydro-19aH,20bH-1,21:12,10-di(epiminomethano)dicyclopenta[f,f'][1,5]diazocino[3,2,1-jk:7,6,5-j'k']dicarbazole-24,25-diium dichloride
http://www.opentox.org/api/1.1#SMILES
OC/C=C9\[C@]2([H])C[C@@]8([H])[C@]6(CC[N@+](CC=C)8C9)[C@@]1([H])N(C7=CC=CC=C67)/C=C5\[C@]([C@]([C@](C[C@]([H])5\C%11=C/CO)%10[H])(CC[N@+](CC=C)%10C%11)C4=CC=CC=C34)([H])N3/C=C1/2
[Cl-].[Cl-].C=CC[N@@H+]1\C(=C\CO)[C@@H]4C[C@@H]2[C@]6(CC[C@@H]12)c3ccccc3N5C=C9[C@@H]%11N(C=C4[C@H]56)c7ccccc7[C@]%10%11CC[C@H]8[C@H]%10C[C@@H]9C(=C\CO)/[N@@H+]8CC=C
http://www.opentox.org/api/1.1#CASRN
64872-77-1
http://www.opentox.org/api/1.1#ChemicalName
Butoconazole nitrate
http://www.opentox.org/api/1.1#IUPACName
1-{4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole nitrate (1:1)
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(cc1)CCC(Sc2c(Cl)cccc2Cl)Cn3ccnc3
O=N(=O)O.Clc1ccc(cc1)CCC(Sc2c(Cl)cccc2Cl)Cn3ccnc3
http://www.opentox.org/api/1.1#CASRN
38363-32-5
http://www.opentox.org/api/1.1#ChemicalName
Penbutolol sulfate
http://www.opentox.org/api/1.1#IUPACName
(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol sulfate (2:1)
http://www.opentox.org/api/1.1#SMILES
O=S(=O)(O)O.CC(C)(C)NC[C@H](O)COc1ccccc1C2CCCC2.CC(C)(C)NC[C@H](O)COc1ccccc1C2CCCC2
http://www.opentox.org/api/1.1#CASRN
59263-76-2
http://www.opentox.org/api/1.1#ChemicalName
Meptazinol hydrochloride
http://www.opentox.org/api/1.1#IUPACName
3-(3-ethyl-1-methylazepan-3-yl)phenol hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
CN1CCCCC(CC)(C1)c2cccc(O)c2
Cl.CN1CCCCC(CC)(C1)c2cccc(O)c2
http://www.opentox.org/api/1.1#CASRN
79547-78-7
http://www.opentox.org/api/1.1#ChemicalName
Levocabastine hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(3S,4R)-1-[cis-4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
Cl.Fc1ccc(cc1)[C@@]2(CC[C@H](CC2)N3CC[C@@]([C@H](C)C3)(c4ccccc4)C(=O)O)C#N
Fc1ccc(cc1)[C@@]2(CC[C@H](CC2)N3CC[C@@]([C@H](C)C3)(c4ccccc4)C(=O)O)C#N
http://www.opentox.org/api/1.1#CASRN
3200-06-4
http://www.opentox.org/api/1.1#ChemicalName
Nafronyl oxalate
http://www.opentox.org/api/1.1#IUPACName
2-(diethylamino)ethyl 3-(naphthalen-1-yl)-2-(tetrahydrofuran-2-ylmethyl)propanoate ethanedioate (1:1)
http://www.opentox.org/api/1.1#SMILES
CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC3CCCO3
O=C(O)C(=O)O.CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC3CCCO3
http://www.opentox.org/api/1.1#CASRN
108032-11-7
http://www.opentox.org/api/1.1#ChemicalName
Bergenin monohydrate
http://www.opentox.org/api/1.1#IUPACName
(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one hydrate (1:1)
http://www.opentox.org/api/1.1#SMILES
O.Oc1c2c(cc(O)c1OC)C(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]23
Oc1c2c(cc(O)c1OC)C(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]23
http://www.opentox.org/api/1.1#CASRN
5714-90-9
http://www.opentox.org/api/1.1#ChemicalName
Levopropoxyphene napsylate
http://www.opentox.org/api/1.1#IUPACName
naphthalene-2-sulfonic acid - (2R,3S)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl propanoate (1:1)
http://www.opentox.org/api/1.1#SMILES
CCN(CCCc1ccccc1)CCCc2ccccc2
CN(C)C[C@H](C)[C@@](Cc1ccccc1)(OC(=O)CC)c2ccccc2.O=S(=O)(O)c1ccc2ccccc2c1
http://www.opentox.org/api/1.1#CASRN
6700-34-1
http://www.opentox.org/api/1.1#ChemicalName
Dextromethorphan hydrobromide monohydrate
http://www.opentox.org/api/1.1#IUPACName
(9a,13a,14a)-3-methoxy-17-methylmorphinan hydrobromide hydrate
http://www.opentox.org/api/1.1#SMILES
Br.O.COc3ccc4C[C@@H]1N(C)CC[C@]2(CCCC[C@H]12)c4c3
COc3ccc4C[C@@H]1N(C)CC[C@]2(CCCC[C@H]12)c4c3
http://www.opentox.org/api/1.1#CASRN
7279-75-6
http://www.opentox.org/api/1.1#ChemicalName
Isoetharine mesylate
http://www.opentox.org/api/1.1#IUPACName
4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol methanesulfonate (1:1)
http://www.opentox.org/api/1.1#SMILES
Oc1ccc(cc1O)C(O)C(CC)NC(C)C
Oc1ccc(cc1O)C(O)C(CC)NC(C)C.CS(=O)(=O)O
http://www.opentox.org/api/1.1#CASRN
73816-42-9
http://www.opentox.org/api/1.1#ChemicalName
Meclocycline sulfosalicylate
http://www.opentox.org/api/1.1#IUPACName
2-hydroxy-5-sulfobenzoic acid - (4S,4aR,5S,5aR,12aS)-7-chloro-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylidene-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide (1:1)
http://www.opentox.org/api/1.1#SMILES
NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)ccc(Cl)c1C(=C)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C
O=C(O)c1cc(ccc1O)S(=O)(=O)O.NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)ccc(Cl)c1C(=C)[C@H]2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C
http://www.opentox.org/api/1.1#CASRN
83915-83-7
http://www.opentox.org/api/1.1#ChemicalName
Lisinopril dihydrate
http://www.opentox.org/api/1.1#IUPACName
N2-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline dihydrate
http://www.opentox.org/api/1.1#CASRN
92953-10-1
http://www.opentox.org/api/1.1#ChemicalName
Clofilium tosylate
http://www.opentox.org/api/1.1#IUPACName
N-[4-(4-chlorophenyl)butyl]-N,N-diethylheptan-1-aminium 4-methylbenzenesulfonate
http://www.opentox.org/api/1.1#CASRN
42835-25-6
http://www.opentox.org/api/1.1#ChemicalName
Flumequine
flumequine
http://www.opentox.org/api/1.1#IUPACName
9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CC1CCc2cc(F)cc3c(=O)c(cn1c23)C(O)=O
O=C(O)C3=CN1c2c(cc(F)cc2CCC1C)C3=O
http://www.opentox.org/api/1.1#CASRN
50-10-2
http://www.opentox.org/api/1.1#ChemicalName
Oxyphenonium bromide
http://www.opentox.org/api/1.1#IUPACName
2-{[cyclohexyl(hydroxy)phenylacetyl]oxy}-N,N-diethyl-N-methylethanaminium bromide
http://www.opentox.org/api/1.1#SMILES
OC(C(=O)OCC[N+](C)(CC)CC)(c1ccccc1)C2CCCCC2
[Br-].OC(C(=O)OCC[N+](C)(CC)CC)(c1ccccc1)C2CCCCC2
http://www.opentox.org/api/1.1#CASRN
23210-56-2
http://www.opentox.org/api/1.1#ChemicalName
Ifenprodil
ifenprodil
http://www.opentox.org/api/1.1#IUPACName
4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
http://www.opentox.org/api/1.1#SMILES
CC(C(O)c1ccc(O)cc1)N2CCC(CC2)Cc3ccccc3
OC(C(C)N1CCC(CC1)Cc2ccccc2)c3ccc(O)cc3
http://www.opentox.org/api/1.1#CASRN
94535-50-9
http://www.opentox.org/api/1.1#ChemicalName
Levcromakalim
http://www.opentox.org/api/1.1#CASRN
26833-87-4
http://www.opentox.org/api/1.1#ChemicalName
Omacetaxine mepesuccinate
http://www.opentox.org/api/1.1#CASRN
1480-19-9
http://www.opentox.org/api/1.1#ChemicalName
Fluanisone
fluanisone
http://www.opentox.org/api/1.1#IUPACName
1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
http://www.opentox.org/api/1.1#SMILES
COc1ccccc1N3CCN(CCCC(=O)c2ccc(F)cc2)CC3
Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccc3OC
http://www.opentox.org/api/1.1#CASRN
119431-25-3
http://www.opentox.org/api/1.1#ChemicalName
Eliprodil
http://www.opentox.org/api/1.1#IUPACName
1-(4-chlorophenyl)-2-[4-(4-fluorobenzyl)piperidin-1-yl]ethanol
http://www.opentox.org/api/1.1#SMILES
OC(CN1CCC(CC1)Cc2ccc(F)cc2)c3ccc(Cl)cc3
http://www.opentox.org/api/1.1#CASRN
75529-73-6
http://www.opentox.org/api/1.1#ChemicalName
Amperozide hydrochloride
http://www.opentox.org/api/1.1#IUPACName
4-[4,4-bis(4-fluorophenyl)butyl]-N-ethylpiperazine-1-carboxamide hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
Cl.Fc1ccc(cc1)C(CCCN2CCN(CC2)C(=O)NCC)c3ccc(F)cc3
Fc1ccc(cc1)C(CCCN2CCN(CC2)C(=O)NCC)c3ccc(F)cc3
http://www.opentox.org/api/1.1#CASRN
36504-94-6
http://www.opentox.org/api/1.1#ChemicalName
Butaclamol hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(3S,4aS,13bS)-3-tert-butyl-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)[C@]4(O)CCN5C[C@@H]2c3c(cccc3CCc1ccccc12)[C@@H]5C4
Cl.CC(C)(C)[C@]4(O)CCN5C[C@@H]2c3c(cccc3CCc1ccccc12)[C@@H]5C4
http://www.opentox.org/api/1.1#CASRN
65391-42-6
http://www.opentox.org/api/1.1#ChemicalName
Ubenimex hydrochloride
http://www.opentox.org/api/1.1#IUPACName
N-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-D-leucine hydrochloride (1:1) Cl.N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@H](CC(C)C)C(=O)O N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@H](CC(C)C)C(=O)O
http://www.opentox.org/api/1.1#SMILES
Cl.N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@H](CC(C)C)C(=O)O
N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@H](CC(C)C)C(=O)O
http://www.opentox.org/api/1.1#CASRN
62-68-0
http://www.opentox.org/api/1.1#ChemicalName
Proadifen hydrochloride
http://www.opentox.org/api/1.1#IUPACName
2-(diethylamino)ethyl 2,2-diphenylpentanoate hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
CCN(CC)CCOC(=O)C(CCC)(c1ccccc1)c2ccccc2
Cl.CCN(CC)CCOC(=O)C(CCC)(c1ccccc1)c2ccccc2
http://www.opentox.org/api/1.1#CASRN
85976-54-1
http://www.opentox.org/api/1.1#ChemicalName
R-3-PPP hydrochloride
http://www.opentox.org/api/1.1#IUPACName
3-[(3R)-1-propylpiperidin-3-yl]phenol hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
CCCN1CCC[C@@H](C1)c2cccc(O)c2
Cl.CCCN1CCC[C@@H](C1)c2cccc(O)c2
http://www.opentox.org/api/1.1#CASRN
94749-08-3
http://www.opentox.org/api/1.1#ChemicalName
Salmeterol xinafoate
http://www.opentox.org/api/1.1#IUPACName
1-hydroxynaphthalene-2-carboxylic acid - 2-(hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol (1:1)
http://www.opentox.org/api/1.1#SMILES
OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2
OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2.O=C(O)c2ccc1ccccc1c2O
http://www.opentox.org/api/1.1#CASRN
52-49-3
http://www.opentox.org/api/1.1#ChemicalName
Trihexyphenidyl hydrochloride
http://www.opentox.org/api/1.1#IUPACName
1-cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
OC(C2=CC=CC=C2)(C3CCCCC3)CCN1CCCCC1
OC(C2=CC=CC=C2)(C3CCCCC3)CCN1CCCCC1.Cl
http://www.opentox.org/api/1.1#CASRN
37686-84-3
http://www.opentox.org/api/1.1#ChemicalName
Terguride
http://www.opentox.org/api/1.1#IUPACName
1,1-diethyl-3-[(8alpha)-6-methylergolin-8-yl]urea
http://www.opentox.org/api/1.1#SMILES
CCN(CC)C(=O)N[C@H]1C[C@@H]2c3cccc4ncc(C[C@H]2N(C)C1)c34
http://www.opentox.org/api/1.1#CASRN
2062-77-3
http://www.opentox.org/api/1.1#ChemicalName
Trifluperidol hydrochloride
http://www.opentox.org/api/1.1#IUPACName
1-(4-fluorophenyl)-4-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}butan-1-one hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
Cl.FC(F)(F)c1cccc(c1)C3(O)CCN(CCCC(=O)c2ccc(F)cc2)CC3
FC(F)(F)c1cccc(c1)C3(O)CCN(CCCC(=O)c2ccc(F)cc2)CC3
http://www.opentox.org/api/1.1#CASRN
548-66-3
http://www.opentox.org/api/1.1#ChemicalName
Drofenine hydrochloride
http://www.opentox.org/api/1.1#IUPACName
2-(diethylamino)ethyl cyclohexyl(phenyl)acetate hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
CCN(CC)CCOC(=O)C(c1ccccc1)C2CCCCC2
Cl.CCN(CC)CCOC(=O)C(c1ccccc1)C2CCCCC2
http://www.opentox.org/api/1.1#CASRN
4245-41-4
http://www.opentox.org/api/1.1#ChemicalName
Estradiol acetate
http://www.opentox.org/api/1.1#IUPACName
(17b)-17-hydroxyestra-1(10),2,4-trien-3-yl acetate
http://www.opentox.org/api/1.1#SMILES
CC(=O)Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3
Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@H](O)CC[C@@H]12)c4cc3
http://www.opentox.org/api/1.1#CASRN
37693-01-9
http://www.opentox.org/api/1.1#ChemicalName
Clofoctol
clofoctol
http://www.opentox.org/api/1.1#IUPACName
2-(2,4-dichlorobenzyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
http://www.opentox.org/api/1.1#SMILES
Clc2cc(Cl)ccc2Cc1cc(ccc1O)C(C)(C)CC(C)(C)C
http://www.opentox.org/api/1.1#CASRN
25999-20-6
http://www.opentox.org/api/1.1#ChemicalName
Lasalocid sodium
http://www.opentox.org/api/1.1#IUPACName
(1S,9S)-1,5:6,9-dianhydro-9-[(3R,5S,6S,7R)-9-(2-carboxylato-3-hydroxy-4-methylphenyl)-6-hydroxy-5,7-dimethyl-4-oxononan-3-yl]-3,4,7,8-tetradeoxy-6-ethyl-2-C-ethyl-1,8-dimethyl-D-galacto-nonitol
http://www.opentox.org/api/1.1#SMILES
O=C(O)C1=C(CC[C@@H](C)[C@@H]([C@H](C)C([C@@H]([C@]2([H])[C@@H](C)C[C@]([C@@]3([H])CC[C@](O)(CC)[C@H](C)O3)(CC)O2)CC)=O)O)C=CC(C)=C1O
O=C([O-])C1=C(CC[C@@H](C)[C@@H]([C@H](C)C([C@@H]([C@]2([H])[C@@H](C)C[C@]([C@@]3([H])CC[C@](O)(CC)[C@H](C)O3)(CC)O2)CC)=O)O)C=CC(C)=C1O.[Na+]
http://www.opentox.org/api/1.1#CASRN
11121-32-7
http://www.opentox.org/api/1.1#ChemicalName
Mepartricin
http://www.opentox.org/api/1.1#IUPACName
methyl (19E,21E,23E,25E,27E,29E,31E)-33-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,5,7,9,13,37-heptahydroxy-17-{5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl}-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
http://www.opentox.org/api/1.1#SMILES
O=C(CC(O)CC3=O)OC(C(C)CCC(O)CC(C(C=C4)=CC=C4NC)=O)C(C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(CC2C(C(OC)=O)C(O)CC(CC(O)CC(O)CC(O)CC(O)C3)(O)O2)O[C@H]1[C@@H](O)[C@@H](N)[C@H](O)[C@@H](C)O1
http://www.opentox.org/api/1.1#CASRN
125-52-0
http://www.opentox.org/api/1.1#ChemicalName
Oxyphencyclimine hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(1-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)methyl cyclohexyl(hydroxy)phenylacetate hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
CN3CCCN=C3COC(=O)C(O)(c1ccccc1)C2CCCCC2
Cl.CN3CCCN=C3COC(=O)C(O)(c1ccccc1)C2CCCCC2
http://www.opentox.org/api/1.1#CASRN
86541-74-4
http://www.opentox.org/api/1.1#ChemicalName
Benazepril hydrochloride
http://www.opentox.org/api/1.1#IUPACName
[(3R)-3-{[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
Cl.O=C(OCC)[C@@H](CCc1ccccc1)N[C@@H]3CCc2ccccc2N(CC(=O)O)C3=O
O=C(OCC)[C@@H](CCc1ccccc1)N[C@@H]3CCc2ccccc2N(CC(=O)O)C3=O
http://www.opentox.org/api/1.1#CASRN
84485-00-7
http://www.opentox.org/api/1.1#ChemicalName
Sibutramine hydrochloride
http://www.opentox.org/api/1.1#IUPACName
1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
CN(C)C(CC(C)C)C1(CCC1)c2ccc(Cl)cc2
Cl.CN(C)C(CC(C)C)C1(CCC1)c2ccc(Cl)cc2
http://www.opentox.org/api/1.1#CASRN
196597-26-9
http://www.opentox.org/api/1.1#ChemicalName
Ramelteon
http://www.opentox.org/api/1.1#IUPACName
N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide
http://www.opentox.org/api/1.1#SMILES
CCC(=O)NCC[C@@H]3CCc2ccc1OCCc1c23
http://www.opentox.org/api/1.1#CASRN
1415-73-2
8015-61-0
http://www.opentox.org/api/1.1#ChemicalName
Aloin
Aloin A
http://www.opentox.org/api/1.1#IUPACName
(1S)-1,5-anhydro-1-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-D-glucitol
http://www.opentox.org/api/1.1#SMILES
O=C3C1=C(O)C=CC=C1[C@](C4=C3C(O)=CC(CO)=C4)([H])[C@@]2([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2
http://www.opentox.org/api/1.1#CASRN
219861-08-2
http://www.opentox.org/api/1.1#ChemicalName
Escitalopram oxalate
http://www.opentox.org/api/1.1#IUPACName
(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
http://www.opentox.org/api/1.1#SMILES
N#CC2=CC=C1[C@@](OCC1=C2)([C@]3=CC=C(C=C3)F)CCCN(C)C
N#CC2=CC=C1[C@@](OCC1=C2)([C@]3=CC=C(C=C3)F)CCCN(C)C.OC(C(O)=O)=O
http://www.opentox.org/api/1.1#CASRN
161814-49-9
http://www.opentox.org/api/1.1#ChemicalName
Amprenavir
http://www.opentox.org/api/1.1#IUPACName
(3R)-tetrahydrofuran-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
http://www.opentox.org/api/1.1#SMILES
O=S(N(CC(C)C)C[C@@H](O)[C@@H](NC(O[C@@H]3CCOC3)=O)CC1=CC=CC=C1)(C2=CC=C(N)C=C2)=O
http://www.opentox.org/api/1.1#CASRN
115-37-7
http://www.opentox.org/api/1.1#ChemicalName
Thebaine
http://www.opentox.org/api/1.1#IUPACName
(5alpha)-3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5-epoxymorphinan
http://www.opentox.org/api/1.1#SMILES
CN4[C@H]2C1=CC=C(OC)[C@H](O3)[C@@](CC4)1C(C3=C5OC)=C(C=C5)C2
http://www.opentox.org/api/1.1#CASRN
24678-13-5
http://www.opentox.org/api/1.1#ChemicalName
Lenperone
http://www.opentox.org/api/1.1#IUPACName
4-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
http://www.opentox.org/api/1.1#SMILES
FC1=CC=C(C(CCCN2CCC(C(C3=CC=C(C=C3)F)=O)CC2)=O)C=C1
http://www.opentox.org/api/1.1#CASRN
14051-33-3
http://www.opentox.org/api/1.1#ChemicalName
Benzetimide
benzetimide
http://www.opentox.org/api/1.1#IUPACName
1'-benzyl-3-phenyl-3,4'-bipiperidine-2,6-dione
http://www.opentox.org/api/1.1#SMILES
O=C(C(C2CCN(CC4=CC=CC=C4)CC2)(C3=CC=CC=C3)CC1)NC1=O
O=C3CCC(C1CCN(CC1)Cc2ccccc2)(C(=O)N3)c4ccccc4
http://www.opentox.org/api/1.1#CASRN
2856-81-7
http://www.opentox.org/api/1.1#ChemicalName
Azabuperone
http://www.opentox.org/api/1.1#IUPACName
1-(4-fluorophenyl)-4-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)butan-1-one
http://www.opentox.org/api/1.1#SMILES
FC1=CC=C(C(CCCN3CCN2CCCC2C3)=O)C=C1
http://www.opentox.org/api/1.1#CASRN
10447-39-9
http://www.opentox.org/api/1.1#ChemicalName
Quifenadine
http://www.opentox.org/api/1.1#IUPACName
1-azabicyclo[2.2.2]oct-3-yl(diphenyl)methanol
http://www.opentox.org/api/1.1#SMILES
OC(C3=CC=CC=C3)(C4=CC=CC=C4)C1C2CCN(CC2)C1
http://www.opentox.org/api/1.1#CASRN
17411-19-7
http://www.opentox.org/api/1.1#ChemicalName
Dicarbine
http://www.opentox.org/api/1.1#IUPACName
2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
http://www.opentox.org/api/1.1#SMILES
CC(C=C3)=CC2=C3NC1CCN(C)CC12
http://www.opentox.org/api/1.1#CASRN
3562-99-0
http://www.opentox.org/api/1.1#ChemicalName
Menbutone
http://www.opentox.org/api/1.1#IUPACName
4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid
http://www.opentox.org/api/1.1#SMILES
O=C(CCC(O)=O)C(C2=C1C=CC=C2)=CC=C1OC
http://www.opentox.org/api/1.1#CASRN
119-13-1
http://www.opentox.org/api/1.1#ChemicalName
D-delta-Tocopherol
http://www.opentox.org/api/1.1#IUPACName
(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
http://www.opentox.org/api/1.1#SMILES
OC1=CC(CC2)=C(C(C)=C1)O[C@]2(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
http://www.opentox.org/api/1.1#CASRN
96-84-4
http://www.opentox.org/api/1.1#ChemicalName
Iophenoxic acid
iophenoxic acid
http://www.opentox.org/api/1.1#IUPACName
2-(3-hydroxy-2,4,6-triiodobenzyl)butanoic acid
http://www.opentox.org/api/1.1#SMILES
IC(C(O)=C(C=C1I)I)=C1CC(C(O)=O)CC
Ic1cc(I)c(O)c(I)c1CC(CC)C(=O)O
http://www.opentox.org/api/1.1#CASRN
21221-18-1
http://www.opentox.org/api/1.1#ChemicalName
Flazalone
http://www.opentox.org/api/1.1#IUPACName
(4-fluorophenyl)[4-(4-fluorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone
http://www.opentox.org/api/1.1#SMILES
O=C(C3=CC=C(F)C=C3)C2C(CCN(C)C2)(O)C1=CC=C(F)C=C1
http://www.opentox.org/api/1.1#CASRN
17479-19-5
http://www.opentox.org/api/1.1#ChemicalName
Dihydroergocristine
http://www.opentox.org/api/1.1#IUPACName
(5'alpha,10alpha)-5'-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman
http://www.opentox.org/api/1.1#SMILES
O=C1N([C@@H](CC8=CC=CC=C8)C(N3CCC[C@@]23[H])=O)[C@@]2(O)O[C@]([C@H](C)C)1N[C@]([C@@H]6C[C@]([C@]7([H])N(C)C6)([H])C5=C4C(C7)=CNC4=CC=C5)=O
http://www.opentox.org/api/1.1#CASRN
64795-35-3
http://www.opentox.org/api/1.1#ChemicalName
Mesulergine
http://www.opentox.org/api/1.1#IUPACName
N'-[(8alpha)-1,6-dimethylergolin-8-yl]-N,N-dimethylsulfuric diamide
http://www.opentox.org/api/1.1#SMILES
[H][C@@](N(C)C3)4[C@](C2=C1C(C4)=CN(C)C1=CC=C2)([H])C[C@]3([H])NS(N(C)C)(=O)=O
http://www.opentox.org/api/1.1#CASRN
93302-47-7
http://www.opentox.org/api/1.1#ChemicalName
Naloxone methyliodide
http://www.opentox.org/api/1.1#IUPACName
(5alpha)-3,14-dihydroxy-17-(prop-2-en-1-yl)-4,5-epoxymorphinan-6-one - iodomethane (1:1)
http://www.opentox.org/api/1.1#SMILES
O[C@@]1(CCC4=O)[C@@]([C@H]4OC2=C5O)(CC3)C2=C(C=C5)C[C@H]1N3CC=C
O[C@@]1(CCC4=O)[C@@]([C@H]4OC2=C5O)(CC3)C2=C(C=C5)C[C@H]1N3CC=C.IC
http://www.opentox.org/api/1.1#CASRN
467-15-2
http://www.opentox.org/api/1.1#ChemicalName
Norcodeine
http://www.opentox.org/api/1.1#IUPACName
(5alpha,6alpha)-3-methoxy-7,8-didehydro-4,5-epoxymorphinan-6-ol
http://www.opentox.org/api/1.1#SMILES
O[C@@H]3[C@H]2[C@]([C@@]([C@H](NCC5)C4)([H])C=C3)5C1=C4C=CC(OC)=C1O2
http://www.opentox.org/api/1.1#CASRN
7059-24-7
http://www.opentox.org/api/1.1#ChemicalName
Chromomycin A3
http://www.opentox.org/api/1.1#IUPACName
(1S)-1-C-[(2S,3S)-3-{[4-O-acetyl-2,6-dideoxy-3-C-methyl-a-L-arabino-hexopyranosyl-(1�3)-2,6-dideoxy-b-D-arabino-hexopyranosyl-(1�3)-2,6-dideoxy-b-D-arabino-hexopyranosyl]oxy}-7-{[4-O-carboxy-2,6-dideoxy-3-O-(2,6-dideoxy-4-O-methyl-a-D-lyxo-hexopyranosyl)-b-D-lyxo-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-5-deoxy-1-O-methyl-D-xylulose
http://www.opentox.org/api/1.1#SMILES
O=C([C@H]3O[C@@H](C7)O[C@H](C)[C@@H](O)[C@@H]7O[C@@H](C6)O[C@H](C)[C@@H](O)[C@@H]6O[C@@H]4O[C@@H](C)[C@H](OC(C)=O)[C@](O)(C)C4)C2=C(O)C1=C(O)C(C)=C(O[C@@H]5O[C@H](C)[C@H](OC(O)=O)[C@H](O[C@H]8O[C@H](C)[C@H](OC)[C@H](O)C8)C5)C=C1C=C2C[C@]3([C@H](OC)C([C@@H](O)[C@H](O)C)=O)[H]
http://www.opentox.org/api/1.1#CASRN
88678-31-3
http://www.opentox.org/api/1.1#ChemicalName
Liranaftate
http://www.opentox.org/api/1.1#IUPACName
O-(5,6,7,8-tetrahydronaphthalen-2-yl) (6-methoxypyridin-2-yl)methylcarbamothioate
http://www.opentox.org/api/1.1#SMILES
S=C(N(C)C3=NC(OC)=CC=C3)OC2=CC1=C(C=C2)CCCC1
http://www.opentox.org/api/1.1#CASRN
90274-24-1
http://www.opentox.org/api/1.1#ChemicalName
Ractopamine hydrochloride
http://www.opentox.org/api/1.1#IUPACName
4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
OC(C=C1)=CC=C1CCC(NCC(C2=CC=C(C=C2)O)O)C
OC(C=C1)=CC=C1CCC(NCC(C2=CC=C(C=C2)O)O)C.Cl
http://www.opentox.org/api/1.1#CASRN
90729-43-4
http://www.opentox.org/api/1.1#ChemicalName
Ebastine
http://www.opentox.org/api/1.1#IUPACName
1-(4-tert-butylphenyl)-4-[4-(diphenylmethoxy)piperidin-1-yl]butan-1-one
http://www.opentox.org/api/1.1#SMILES
O=C(CCCN2CCC(OC(C4=CC=CC=C4)C3=CC=CC=C3)CC2)C(C=C1)=CC=C1C(C)(C)C
http://www.opentox.org/api/1.1#CASRN
124858-35-1
http://www.opentox.org/api/1.1#ChemicalName
Nadifloxacin
http://www.opentox.org/api/1.1#IUPACName
9-fluoro-8-(4-hydroxypiperidin-1-yl)-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
OC(CC1)CCN1C(C(F)=CC(C4=O)=C2N3C=C4C(O)=O)=C2CCC3C
http://www.opentox.org/api/1.1#CASRN
56124-62-0
http://www.opentox.org/api/1.1#ChemicalName
Valrubicin
http://www.opentox.org/api/1.1#IUPACName
2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-a-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate
http://www.opentox.org/api/1.1#SMILES
O=C(C2=C(O)C(C[C@](C(COC(CCCC)=O)=O)(O)C[C@@H]4O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](NC(C(F)(F)F)=O)C5)=C4C(O)=C2C3=O)C1=C3C(OC)=CC=C1
http://www.opentox.org/api/1.1#CASRN
2448-68-2
http://www.opentox.org/api/1.1#ChemicalName
Pipamperone dihydrochloride
http://www.opentox.org/api/1.1#IUPACName
1'-[4-(4-fluorophenyl)-4-oxobutyl]-1,4'-bipiperidine-4'-carboxamide dihydrochloride
http://www.opentox.org/api/1.1#SMILES
O=C(N)C2(CCN(CCCC(C3=CC=C(F)C=C3)=O)CC2)N1CCCCC1
O=C(N)C2(CCN(CCCC(C3=CC=C(F)C=C3)=O)CC2)N1CCCCC1.Cl.Cl
http://www.opentox.org/api/1.1#CASRN
135729-62-3
http://www.opentox.org/api/1.1#ChemicalName
Palonosetron hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(3aS)-2-[(3S)-1-azabicyclo[2.2.2]oct-3-yl]-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
O=C1N([C@H]5C4CCN(C5)CC4)C[C@]3([H])C2=C(CCC3)C=CC=C12
O=C1N([C@H]5C4CCN(C5)CC4)C[C@]3([H])C2=C(CCC3)C=CC=C12.Cl
http://www.opentox.org/api/1.1#CASRN
88889-14-9
http://www.opentox.org/api/1.1#ChemicalName
Fosinopril sodium
http://www.opentox.org/api/1.1#IUPACName
(4S)-4-cyclohexyl-1-({[2-methyl-1-(propanoyloxy)propoxy](4-phenylbutyl)phosphoryl}acetyl)-L-proline
http://www.opentox.org/api/1.1#SMILES
O=P(CC(N2C[C@H]([C@H]3CCCCC3)C[C@H]2[C@@](O)=O)=O)(OC(OC(CC)=O)C(C)C)CCCCC1=CC=CC=C1
http://www.opentox.org/api/1.1#CASRN
41826-92-0
http://www.opentox.org/api/1.1#ChemicalName
Trepibutone
trepibutone
http://www.opentox.org/api/1.1#IUPACName
4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid
http://www.opentox.org/api/1.1#SMILES
CCOc1cc(OCC)c(cc1OCC)C(=O)CCC(=O)O
O=C(CCC(O)=O)C(C=C1OCC)=C(OCC)C=C1OCC
http://www.opentox.org/api/1.1#CASRN
30299-08-2
http://www.opentox.org/api/1.1#ChemicalName
Clinofibrate
http://www.opentox.org/api/1.1#IUPACName
2,2'-[cyclohexane-1,1-diylbis(benzene-4,1-diyloxy)]bis(2-methylbutanoic acid)
http://www.opentox.org/api/1.1#SMILES
OC(C(CC)(C)OC3=CC=C(C=C3)C2(CCCCC2)C1=CC=C(OC(CC)(C)C(O)=O)C=C1)=O
http://www.opentox.org/api/1.1#CASRN
136087-85-9
http://www.opentox.org/api/1.1#ChemicalName
Fidarestat
http://www.opentox.org/api/1.1#IUPACName
(2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
FC1=CC2=C(O[C@H]([C@@](N)=O)C[C@@]([C@@]3=O)2NC(N3)=O)C=C1
http://www.opentox.org/api/1.1#CASRN
75443-99-1
http://www.opentox.org/api/1.1#ChemicalName
Aclarubicin hydrochloride
http://www.opentox.org/api/1.1#IUPACName
methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-a-L-lyxo-hexopyranosyl}-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
O=[C@@]([C@@H]4C3=CC(C(C1=CC=CC(O)=C12)=O)=C(C(O)=C3[C@@H](O[C@@H]7O[C@H]([C@H]([C@@H](N(C)C)C7)O[C@H](O6)C[C@@H]([C@@H]([C@@H]6C)O[C@H](O5)CCC([C@@H]5C)=O)O)C)C[C@](CC)4O)C2=O)OC
O=[C@@]([C@@H]4C3=CC(C(C1=CC=CC(O)=C12)=O)=C(C(O)=C3[C@@H](O[C@@H]7O[C@H]([C@H]([C@@H](N(C)C)C7)O[C@H](O6)C[C@@H]([C@@H]([C@@H]6C)O[C@H](O5)CCC([C@@H]5C)=O)O)C)C[C@](CC)4O)C2=O)OC.Cl
http://www.opentox.org/api/1.1#CASRN
153259-65-5
http://www.opentox.org/api/1.1#ChemicalName
Cilomilast
http://www.opentox.org/api/1.1#IUPACName
cis-4-cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexanecarboxylic acid
http://www.opentox.org/api/1.1#SMILES
O[C@]([C@@H](CC3)CC[C@@]3(C#N)C(C=C1OC2CCCC2)=CC=C1OC)=O
http://www.opentox.org/api/1.1#CASRN
120011-70-3
http://www.opentox.org/api/1.1#ChemicalName
Donepezil hydrochloride
http://www.opentox.org/api/1.1#IUPACName
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
O=C(C(CC3=C4)CC1CCN(CC2=CC=CC=C2)CC1)C3=CC(OC)=C4OC
O=C(C(CC3=C4)CC1CCN(CC2=CC=CC=C2)CC1)C3=CC(OC)=C4OC.Cl
http://www.opentox.org/api/1.1#CASRN
103597-45-1
http://www.opentox.org/api/1.1#ChemicalName
Bisoctrizole
http://www.opentox.org/api/1.1#IUPACName
2,2'-methanediylbis[6-(2H-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol]
http://www.opentox.org/api/1.1#SMILES
OC(C(N2N=C(C=CC=C5)C5=N2)=CC(C(C)(C)CC(C)(C)C)=C1)=C1CC(C=C(C(C)(C)CC(C)(C)C)C=C3N4N=C(C=CC=C6)C6=N4)=C3O
http://www.opentox.org/api/1.1#CASRN
207844-01-7
http://www.opentox.org/api/1.1#ChemicalName
Mitiglinide calcium dihydrate
http://www.opentox.org/api/1.1#IUPACName
calcium (2S)-2-benzyl-4-[(3aR,7aS)-octahydro-2H-isoindol-2-yl]-4-oxobutanoate hydrate (1:2:2)
http://www.opentox.org/api/1.1#SMILES
O=[C@@]([O-])[C@@H](CC3=CC=CC=C3)CC(N1C[C@@]2([H])[C@@](CCCC2)([H])C1)=O.O=[C@@]([O-])[C@@H](CC6=CC=CC=C6)CC(N4C[C@@]5([H])[C@@](CCCC5)([H])C4)=O.O.O.[Ca+2]
http://www.opentox.org/api/1.1#CASRN
72496-41-4
http://www.opentox.org/api/1.1#ChemicalName
Pirarubicin
http://www.opentox.org/api/1.1#IUPACName
(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-[(2S)-tetrahydro-2H-pyran-2-yl]-a-L-lyxo-hexopyranoside
http://www.opentox.org/api/1.1#SMILES
O=C1C(C(O)=C4C([C@@H](O[C@@H]5O[C@@H](C)[C@@H](O[C@@H]6CCCCO6)[C@@H](N)C5)C[C@@]([C@](CO)=O)(O)C4)=C3O)=C3C(C2=C1C=CC=C2OC)=O
http://www.opentox.org/api/1.1#CASRN
99755-59-6
http://www.opentox.org/api/1.1#ChemicalName
Rotigotine
http://www.opentox.org/api/1.1#IUPACName
(6S)-6-{propyl[2-(thiophen-2-yl)ethyl]amino}-5,6,7,8-tetrahydronaphthalen-1-ol
http://www.opentox.org/api/1.1#SMILES
OC(C=CC=C2C3)=C2CC[C@@H]3N(CCC1=CC=CS1)CCC
http://www.opentox.org/api/1.1#CASRN
226700-81-8
http://www.opentox.org/api/1.1#ChemicalName
Fosamprenavir calcium
http://www.opentox.org/api/1.1#IUPACName
calcium (2R,3S)-1-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-4-phenyl-3-({[(3S)-tetrahydrofuran-3-yloxy]carbonyl}amino)butan-2-yl phosphate
http://www.opentox.org/api/1.1#SMILES
O=S(N(CC(C)C)C[C@@H](OP(O)(O)=O)[C@@H](NC(O[C@H]3CCOC3)=O)CC1=CC=CC=C1)(C2=CC=C(N)C=C2)=O
O=S(N(CC(C)C)C[C@@H](OP([O-])([O-])=O)[C@@H](NC(O[C@H]3CCOC3)=O)CC1=CC=CC=C1)(C2=CC=C(N)C=C2)=O.[Ca+2]
http://www.opentox.org/api/1.1#CASRN
133099-07-7
http://www.opentox.org/api/1.1#ChemicalName
Darifenacin hydrobromide
http://www.opentox.org/api/1.1#IUPACName
2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamide hydrobromide (1:1)
http://www.opentox.org/api/1.1#SMILES
O=C(N)[C@@](C2=CC=CC=C2)([C@H]3CN(CCC4=CC(CCO5)=C5C=C4)CC3)C1=CC=CC=C1.Br
http://www.opentox.org/api/1.1#CASRN
101152-94-7
http://www.opentox.org/api/1.1#ChemicalName
Milnacipran hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
NC[C@@H](C1)[C@]1([C@@]2=CC=CC=C2)C(N(CC)CC)=O
NC[C@@H](C1)[C@]1([C@@]2=CC=CC=C2)C(N(CC)CC)=O.Cl
http://www.opentox.org/api/1.1#CASRN
1300-94-3
http://www.opentox.org/api/1.1#ChemicalName
3-methyl-6-pentylphenol
Amylmetacresol
http://www.opentox.org/api/1.1#IUPACName
5-methyl-2-pentylphenol
http://www.opentox.org/api/1.1#SMILES
OC1=CC(C)=CC=C1CCCCC
Oc1cc(C)ccc1CCCCC
http://www.opentox.org/api/1.1#CASRN
77469-98-8
http://www.opentox.org/api/1.1#ChemicalName
Pimobendan hydrochloride
http://www.opentox.org/api/1.1#IUPACName
6-[2-(4-methoxyphenyl)-1H-benzimidazol-5-yl]-5-methyl-4,5-dihydropyridazin-3(2H)-one hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
O=C1CC(C)C(C3=CC2=C(C=C3)NC(C4=CC=C(OC)C=C4)=N2)=NN1
O=C1CC(C)C(C3=CC2=C(C=C3)NC(C4=CC=C(OC)C=C4)=N2)=NN1.Cl
http://www.opentox.org/api/1.1#CASRN
583-03-9
http://www.opentox.org/api/1.1#ChemicalName
Fenipentol
http://www.opentox.org/api/1.1#IUPACName
1-phenylpentan-1-ol
http://www.opentox.org/api/1.1#SMILES
OC(CCCC)C1=CC=CC=C1
http://www.opentox.org/api/1.1#CASRN
NOCAS_46830
http://www.opentox.org/api/1.1#ChemicalName
Strychinine benzyl chloride
http://www.opentox.org/api/1.1#IUPACName
strychnidin-10-one - (chloromethyl)benzene (1:1)
http://www.opentox.org/api/1.1#SMILES
O=C2N5[C@@]3([H])[C@@]1([H])[C@](C[C@]4([H])N(C7)CC[C@]34C6=C5C=CC=C6)([H])C7=CCO[C@]([H])1C2
O=C2N5[C@@]3([H])[C@@]1([H])[C@](C[C@]4([H])N(C7)CC[C@]34C6=C5C=CC=C6)([H])C7=CCO[C@]([H])1C2.ClCC8=CC=CC=C8
http://www.opentox.org/api/1.1#CASRN
22733-60-4
http://www.opentox.org/api/1.1#ChemicalName
Siccanin
http://www.opentox.org/api/1.1#IUPACName
(4aS,6aS,11bR,13bS)-4,4,6a,9-tetramethyl-1,2,3,4,4a,5,6,6a,11b,13b-decahydrobenzo[a]furo[2,3,4-mn]xanthen-11-ol
http://www.opentox.org/api/1.1#SMILES
OC1=CC(C)=CC2=C1[C@H](OC3)[C@]([C@@]4(C)O2)([H])C3(CCC5)[C@](CC4)([H])C5(C)C
http://www.opentox.org/api/1.1#CASRN
31477-60-8
http://www.opentox.org/api/1.1#ChemicalName
Ormeloxifene
http://www.opentox.org/api/1.1#IUPACName
1-(2-{4-[(3R,4R)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy}ethyl)pyrrolidine
http://www.opentox.org/api/1.1#SMILES
CC2(C)[C@@H]([C@]4=CC=CC=C4)[C@H]([C@]3=CC=C(OCCN5CCCC5)C=C3)C1=CC=C(OC)C=C1O2
http://www.opentox.org/api/1.1#CASRN
89396-94-1
http://www.opentox.org/api/1.1#ChemicalName
Imidapril hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(4S)-3-{N-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanyl}-1-methyl-2-oxoimidazolidine-4-carboxylic acid hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
O=[C@@](OCC)[C@@H](N[C@@H](C)C(N2C(N(C)C[C@H]2[C@](O)=O)=O)=O)CCC1=CC=CC=C1
O=[C@@](OCC)[C@@H](N[C@@H](C)C(N2C(N(C)C[C@H]2[C@](O)=O)=O)=O)CCC1=CC=CC=C1.Cl
http://www.opentox.org/api/1.1#CASRN
110221-44-8
http://www.opentox.org/api/1.1#ChemicalName
Temocapril hydrochloride
http://www.opentox.org/api/1.1#IUPACName
[(2S,6R)-6-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl]acetic acid hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
O=C([C@H]3N[C@H]([C@](OCC)=O)CCC2=CC=CC=C2)N(CC(O)=O)C[C@H](SC3)[C@@]1=CC=CS1
O=C([C@H]3N[C@H]([C@](OCC)=O)CCC2=CC=CC=C2)N(CC(O)=O)C[C@H](SC3)[C@@]1=CC=CS1.Cl
http://www.opentox.org/api/1.1#CASRN
40516-48-1
http://www.opentox.org/api/1.1#ChemicalName
Tretinoin tocoferil
http://www.opentox.org/api/1.1#IUPACName
O15-{(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl}retinoic acid
http://www.opentox.org/api/1.1#SMILES
O=C(OC(C(C)=C(C3=C2CC[C@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)O3)C)=C2C)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC(C)1C
http://www.opentox.org/api/1.1#CASRN
6577-41-9
http://www.opentox.org/api/1.1#ChemicalName
Oxapium iodide
http://www.opentox.org/api/1.1#IUPACName
1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methylpiperidinium iodide
http://www.opentox.org/api/1.1#SMILES
C[N+]4(CCCCC4)CC1OC(C2=CC=CC=C2)(C3CCCCC3)OC1
C[N+]4(CCCCC4)CC1OC(C2=CC=CC=C2)(C3CCCCC3)OC1.[I-]
http://www.opentox.org/api/1.1#CASRN
1225-55-4
http://www.opentox.org/api/1.1#ChemicalName
Protriptyline hydrochloride
http://www.opentox.org/api/1.1#IUPACName
3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-1-amine hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
CNCCCC1C(C=CC=C3)=C3C=CC2=C1C=CC=C2
CNCCCC1C(C=CC=C3)=C3C=CC2=C1C=CC=C2.Cl
http://www.opentox.org/api/1.1#CASRN
35543-24-9
http://www.opentox.org/api/1.1#ChemicalName
Buflomedil hydrochloride
http://www.opentox.org/api/1.1#IUPACName
4-(pyrrolidin-1-yl)-1-(2,4,6-trimethoxyphenyl)butan-1-one hydrochloride
http://www.opentox.org/api/1.1#SMILES
O=C(CCCN2CCCC2)C1=C(OC)C=C(OC)C=C1OC
O=C(CCCN2CCCC2)C1=C(OC)C=C(OC)C=C1OC.Cl
http://www.opentox.org/api/1.1#CASRN
335104-84-2
http://www.opentox.org/api/1.1#ChemicalName
Tembotrione
http://www.opentox.org/api/1.1#IUPACName
2-{2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}cyclohexane-1,3-dione
http://www.opentox.org/api/1.1#SMILES
CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F
O=C1C(C(C2=C(Cl)C(COCC(F)(F)F)=C(S(=O)(C)=O)C=C2)=O)C(CCC1)=O
http://www.opentox.org/api/1.1#CASRN
495-40-9
http://www.opentox.org/api/1.1#ChemicalName
Butyrophenone
butyrophenone
http://www.opentox.org/api/1.1#IUPACName
1-phenylbutan-1-one
http://www.opentox.org/api/1.1#SMILES
CCCC(=O)c1ccccc1
O=C(CCC)C1=CC=CC=C1
http://www.opentox.org/api/1.1#CASRN
2026-24-6
http://www.opentox.org/api/1.1#ChemicalName
Dehydroabietylamine acetate
http://www.opentox.org/api/1.1#IUPACName
abieta-8(14),9(11),12-trien-18-amine acetate
http://www.opentox.org/api/1.1#SMILES
NC[C@@]3�[C@@]2([H])[C@@](C1=CC=C(C�C)C=C1CC2)(CCC3)C
OC(C)=O.NC[C@@]3(C)[C@@]2([H])[C@@](C1=CC=C(C(C)C)C=C1CC2)(CCC3)C
http://www.opentox.org/api/1.1#CASRN
55418-52-5
http://www.opentox.org/api/1.1#ChemicalName
Piperonyl acetone
http://www.opentox.org/api/1.1#IUPACName
4-(1,3-benzodioxol-5-yl)butan-2-one
http://www.opentox.org/api/1.1#SMILES
O=C(CCC(C=C2)=CC1=C2OCO1)C
http://www.opentox.org/api/1.1#CASRN
774-55-0
http://www.opentox.org/api/1.1#ChemicalName
6-Acetyl-1,2,3,4-tetrahydronaphthalene
6-acetyl-1,2,3,4-tetrahydronaphthalene
http://www.opentox.org/api/1.1#IUPACName
1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
http://www.opentox.org/api/1.1#SMILES
CC(=O)c1ccc2c(c1)CCCC2
O=C(C)C2=CC1=C(C=C2)CCCC1
http://www.opentox.org/api/1.1#CASRN
104-20-1
http://www.opentox.org/api/1.1#ChemicalName
4-(4-Methoxyphenyl)-2-butanone
4-(4-methoxyphenyl)-2-butanone
http://www.opentox.org/api/1.1#IUPACName
4-(4-methoxyphenyl)butan-2-one
http://www.opentox.org/api/1.1#SMILES
CC(=O)CCc1ccc(cc1)OC
O=C(CCC1=CC=C(OC)C=C1)C
http://www.opentox.org/api/1.1#CASRN
4994-16-5
http://www.opentox.org/api/1.1#ChemicalName
4-Phenyl-1-cyclohexene
http://www.opentox.org/api/1.1#IUPACName
cyclohex-3-en-1-ylbenzene
http://www.opentox.org/api/1.1#SMILES
C1(C2=CC=CC=C2)CC=CCC1
http://www.opentox.org/api/1.1#CASRN
145742-28-5
http://www.opentox.org/api/1.1#ChemicalName
(2S,3S)-N-[2-methoxy-5-(trifluoromethoxy)benzyl]-2-phenylpiperidin-3-amine
http://www.opentox.org/api/1.1#IUPACName
(2S,3S)-N-[2-methoxy-5-(trifluoromethoxy)benzyl]-2-phenylpiperidin-3-amine
http://www.opentox.org/api/1.1#SMILES
FC(F)(F)OC1=CC(CN[C@@H]3[C@@H](NCCC3)[C@]2=CC=CC=C2)=C(OC)C=C1
FC(F)(F)Oc3cc(CN[C@H]1CCCN[C@H]1c2ccccc2)c(OC)cc3
http://www.opentox.org/api/1.1#CASRN
186392-65-4
http://www.opentox.org/api/1.1#ChemicalName
Ingliforib
http://www.opentox.org/api/1.1#IUPACName
5-chloro-N-{(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-1H-indole-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
ClC1=CC=C2C(C=C(C(N[C@@H](CC3=CC=CC=C3)[C@@H](O)C(N(C[C@@H]4O)C[C@H]4O)=O)=O)N2)=C1
O[C@H]1CN(C[C@H]1O)C(=O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)c3cc4cc(Cl)ccc4n3
http://www.opentox.org/api/1.1#CASRN
199171-88-5
http://www.opentox.org/api/1.1#ChemicalName
cis-4-cyano-4-(1-cyclohexyl-3-ethyl-1H-indazol-6-yl)cyclohexanecarboxylic acid
http://www.opentox.org/api/1.1#IUPACName
cis-4-cyano-4-(1-cyclohexyl-3-ethyl-1H-indazol-6-yl)cyclohexanecarboxylic acid
http://www.opentox.org/api/1.1#SMILES
N#C[C@@]2(CC[C@@]([C@@](O)=O)([H])CC2)[C@]1=CC(N(N=C4CC)C3CCCCC3)=C4C=C1
O=C(O)[C@H]1CC[C@@](C#N)(CC1)c2ccc3c(c2)n(nc3CC)C4CCCCC4
http://www.opentox.org/api/1.1#CASRN
207736-05-8
http://www.opentox.org/api/1.1#ChemicalName
(6S)-6-[2-(4-aminophenyl)ethyl]-3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl}-4-hydroxy-6-(propan-2-yl)-5,6-dihydro-2H-pyran-2-one
http://www.opentox.org/api/1.1#IUPACName
(6S)-6-[2-(4-aminophenyl)ethyl]-3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl}-4-hydroxy-6-(propan-2-yl)-5,6-dihydro-2H-pyran-2-one
http://www.opentox.org/api/1.1#SMILES
CC(C)[C@]3(CCc1ccc(N)cc1)CC(O)=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O3
OC(C[C@@](CCC2=CC=C(N)C=C2)([C@H](C)C)O1)=C(SC3=CC(C)=C(CO)C=C3C(C)(C)C)C1=O
http://www.opentox.org/api/1.1#CASRN
253450-09-8
http://www.opentox.org/api/1.1#ChemicalName
Besonprodil
http://www.opentox.org/api/1.1#IUPACName
6-({2-[4-(4-fluorobenzyl)piperidin-1-yl]ethyl}sulfinyl)-1,3-benzoxazol-2(3H)-one
http://www.opentox.org/api/1.1#SMILES
Fc1ccc(cc1)CC2CCN(CC2)CCS(=O)c3ccc4NC(=O)Oc4c3
O=C2OC1=CC(S(CCN3CCC(CC4=CC=C(F)C=C4)CC3)=O)=CC=C1N2
http://www.opentox.org/api/1.1#CASRN
261947-38-0
http://www.opentox.org/api/1.1#ChemicalName
propan-2-yl (2R,4S)-4-{acetyl[3,5-bis(trifluoromethyl)benzyl]amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H)-carboxylate
http://www.opentox.org/api/1.1#IUPACName
propan-2-yl (2R,4S)-4-{acetyl[3,5-bis(trifluoromethyl)benzyl]amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H)-carboxylate
http://www.opentox.org/api/1.1#SMILES
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
O=C(OC(C)C)N3C(C=C2)=C(C=C2C(F)(F)F)[C@H](C[C@H]3CC)N(C(C)=O)CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
http://www.opentox.org/api/1.1#CASRN
368832-42-2
http://www.opentox.org/api/1.1#ChemicalName
(1aR,7bS)-5-({[(2S,3S,6S)-6-ethyl-2-phenylpiperidin-3-yl]amino}methyl)-6-methoxy-3-methyl-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one
http://www.opentox.org/api/1.1#IUPACName
(1aR,7bS)-5-({[(2S,3S,6S)-6-ethyl-2-phenylpiperidin-3-yl]amino}methyl)-6-methoxy-3-methyl-1,1a,3,7b-tetrahydro-2H-cyclopropa[c]quinolin-2-one
http://www.opentox.org/api/1.1#SMILES
CC[C@H]4CC[C@H](NCc1cc3c(cc1OC)[C@H]2C[C@H]2C(=O)N3C)[C@@H](N4)c5ccccc5
O=C1[C@H]2[C@H](C2)C3=C(N1C)C=C(CN[C@@H](CC[C@H](CC)N4)[C@@H]4C5=CC=CC=C5)C(OC)=C3
http://www.opentox.org/api/1.1#CASRN
291305-06-1
http://www.opentox.org/api/1.1#ChemicalName
(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
http://www.opentox.org/api/1.1#IUPACName
(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
http://www.opentox.org/api/1.1#SMILES
NS(=O)(=O)c1ccc2c(c1)[C@H](CC[C@H]2c3ccc(Cl)c(Cl)c3)NC
NS(C1=CC=C([C@@H]3[C@]2=CC=C(Cl)C(Cl)=C2)C([C@@H](NC)CC3)=C1)(=O)=O
http://www.opentox.org/api/1.1#CASRN
NOCAS_47299
http://www.opentox.org/api/1.1#ChemicalName
1-[cis-1-(3-ethoxyphenyl)-4-methylcyclohexyl]-4-phenylpiperazine methanesulfonate (1:1)
http://www.opentox.org/api/1.1#IUPACName
1-[cis-1-(3-ethoxyphenyl)-4-methylcyclohexyl]-4-phenylpiperazine methanesulfonate (1:1)
http://www.opentox.org/api/1.1#SMILES
CCOc1cccc(c1)[C@@]2(CC[C@@H](C)CC2)N3CCN(CC3)c4ccccc4
CS(=O)(=O)O.CCOc1cccc(c1)[C@@]2(CC[C@@H](C)CC2)N3CCN(CC3)c4ccccc4
C[C@H]3CC[C@@](N2CCN(C4=CC=CC=C4)CC2)(CC3)[C@]1=CC(OCC)=CC=C1
C[C@H]3CC[C@@](N2CCN(C4=CC=CC=C4)CC2)(CC3)[C@]1=CC(OCC)=CC=C1.O=S(O)(C)=O
http://www.opentox.org/api/1.1#CASRN
158081-99-3
http://www.opentox.org/api/1.1#ChemicalName
1-[(3S,4R)-3-(biphenyl-4-ylmethyl)-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]cyclopentanecarboxylic acid
http://www.opentox.org/api/1.1#IUPACName
1-[(3S,4R)-3-(biphenyl-4-ylmethyl)-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]cyclopentanecarboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C1(CCCC1)c2ccc5c(c2)OC[C@H](Cc3ccc(cc3)c4ccccc4)[C@H]5O
OC(C2(CCCC2)C1=CC(OC[C@H](CC4=CC=C(C5=CC=CC=C5)C=C4)[C@H]3O)=C3C=C1)=O
http://www.opentox.org/api/1.1#CASRN
184653-84-7
http://www.opentox.org/api/1.1#ChemicalName
Carabersat
http://www.opentox.org/api/1.1#IUPACName
N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-4-fluorobenzamide
http://www.opentox.org/api/1.1#SMILES
Fc1ccc(cc1)C(=O)N[C@H]2c3cc(ccc3OC(C)(C)[C@@H]2O)C(C)=O
O=C(C1=CC2=C(OC([C@@H]([C@H]2NC(C3=CC=C(F)C=C3)=O)O)(C)C)C=C1)C
http://www.opentox.org/api/1.1#CASRN
313994-79-5
http://www.opentox.org/api/1.1#ChemicalName
N-[(1R,3S,4S)-3-{[4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl}-4-(3-fluorophenyl)cyclopentyl]-N-methyl-D-valine
http://www.opentox.org/api/1.1#IUPACName
N-[(1R,3S,4S)-3-{[4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl}-4-(3-fluorophenyl)cyclopentyl]-N-methyl-D-valine
http://www.opentox.org/api/1.1#SMILES
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
O=C(O)[C@@H](C(C)C)N(C)[C@H]1C[C@H](CN2CCC(C3=CC(CC4=CC=CC=C4)=NN3CC)CC2)[C@@H]([C@]5=CC=CC(F)=C5)C1
http://www.opentox.org/api/1.1#CASRN
264618-44-2
http://www.opentox.org/api/1.1#ChemicalName
3-(1-{3-[(3S)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl}-4-phenylpiperidin-4-yl)-1,1-dimethylurea
http://www.opentox.org/api/1.1#IUPACName
3-(1-{3-[(3S)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl}-4-phenylpiperidin-4-yl)-1,1-dimethylurea
http://www.opentox.org/api/1.1#SMILES
CN(C)C(=O)NC4(CCN(CCC[C@]1(CCCN(C1)C(=O)c2ccccc2)c3ccc(Cl)c(Cl)c3)CC4)c5ccccc5
O=C(C2=CC=CC=C2)N1CCC[C@](C3=CC(Cl)=C(Cl)C=C3)(CCCN4CCC(C5=CC=CC=C5)(NC(N(C)C)=O)CC4)C1
http://www.opentox.org/api/1.1#CASRN
742693-38-5
http://www.opentox.org/api/1.1#ChemicalName
2-chloro-N-{(S)-phenyl[(2S)-piperidin-2-yl]methyl}-3-(trifluoromethyl)benzamide
http://www.opentox.org/api/1.1#IUPACName
2-chloro-N-{(S)-phenyl[(2S)-piperidin-2-yl]methyl}-3-(trifluoromethyl)benzamide
http://www.opentox.org/api/1.1#SMILES
FC(F)(F)c3cccc(C(=O)N[C@H]([C@@H]1CCCCN1)c2ccccc2)c3Cl
O=C(C3=C(Cl)C(C(F)(F)F)=CC=C3)N[C@H]([C@H]2NCCCC2)C1=CC=CC=C1
http://www.opentox.org/api/1.1#CASRN
473289-62-2
http://www.opentox.org/api/1.1#ChemicalName
Ilepatril
http://www.opentox.org/api/1.1#IUPACName
(4S,7S,12bR)-7-{[(2S)-2-(acetylsulfanyl)-3-methylbutanoyl]amino}-6-oxo-1,2,3,4,6,7,8,12b-octahydropyrido[2,1-a][2]benzazepine-4-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CC(C)[C@H](SC(C)=O)C(=O)N[C@H]3Cc1ccccc1[C@H]2CCC[C@@H](C(=O)O)N2C3=O
O[C@]([C@H]2N1[C@H](CCC2)C(C=CC=C3)=C3C[C@H](NC([C@@H](SC(C)=O)C(C)C)=O)C1=O)=O
http://www.opentox.org/api/1.1#CASRN
929601-09-2
http://www.opentox.org/api/1.1#ChemicalName
ethyl [(7-{[2-(3-chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate hydrochloride
http://www.opentox.org/api/1.1#IUPACName
ethyl [(7-{[2-(3-chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate hydrochloride
http://www.opentox.org/api/1.1#SMILES
Cl.Clc1cccc(c1)C(O)CNC2Cc3cc(ccc3CC2)OCC(=O)OCC
Clc1cccc(c1)C(O)CNC2Cc3cc(ccc3CC2)OCC(=O)OCC
OC(C3=CC(Cl)=CC=C3)CNC1CC(C=C(OCC(OCC)=O)C=C2)=C2CC1
OC(C3=CC(Cl)=CC=C3)CNC1CC(C=C(OCC(OCC)=O)C=C2)=C2CC1.Cl
http://www.opentox.org/api/1.1#CASRN
139290-65-6
http://www.opentox.org/api/1.1#ChemicalName
Volinanserin
http://www.opentox.org/api/1.1#IUPACName
(R)-(2,3-dimethoxyphenyl){1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methanol
http://www.opentox.org/api/1.1#SMILES
COc1cccc(c1OC)[C@H](O)C3CCN(CCc2ccc(F)cc2)CC3
O[C@H](C2CCN(CCC3=CC=C(F)C=C3)CC2)C1=CC=CC(OC)=C1OC
http://www.opentox.org/api/1.1#CASRN
NOCAS_47364
http://www.opentox.org/api/1.1#ChemicalName
N-[(S)-(3S)-1-azabicyclo[2.2.2]oct-3-yl(phenyl)methyl]-2,6-dichloro-3-(trifluoromethyl)benzamide hydrochloride (1:1)
http://www.opentox.org/api/1.1#IUPACName
N-[(S)-(3S)-1-azabicyclo[2.2.2]oct-3-yl(phenyl)methyl]-2,6-dichloro-3-(trifluoromethyl)benzamide hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
Cl.FC(F)(F)c1ccc(Cl)c(c1Cl)C(=O)N[C@@H]([C@@H]3CN2CCC3CC2)c4ccccc4
FC(F)(F)c1ccc(Cl)c(c1Cl)C(=O)N[C@@H]([C@@H]3CN2CCC3CC2)c4ccccc4
O=C(C1=C(Cl)C(C(F)(F)F)=CC=C1Cl)N[C@H](C2=CC=CC=C2)C3C[N@@]4CC[C@H]3CC4
O=C(C1=C(Cl)C(C(F)(F)F)=CC=C1Cl)N[C@H](C2=CC=CC=C2)C3C[N@@]4CC[C@H]3CC4.Cl
http://www.opentox.org/api/1.1#CASRN
NOCAS_47389
http://www.opentox.org/api/1.1#ChemicalName
ethyl 4-(4-{[(2S)-2-hydroxy-3-{4-hydroxy-3-[(methylsulfonyl)amino]phenoxy}propyl]amino}cyclohexyl)benzoate hydrochloride
http://www.opentox.org/api/1.1#IUPACName
ethyl 4-(trans-4-{[(2S)-2-hydroxy-3-{4-hydroxy-3-[(methylsulfonyl)amino]phenoxy}propyl]amino}cyclohexyl)benzoate hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
CS(=O)(=O)Nc1cc(ccc1O)OC[C@@H](O)CN[C@H]2CC[C@@H](CC2)c3ccc(cc3)C(=O)OCC
Cl.CS(=O)(=O)Nc1cc(ccc1O)OC[C@@H](O)CN[C@H]2CC[C@@H](CC2)c3ccc(cc3)C(=O)OCC
O=C(OCC)C1=CC=C([C@@H]2CC[C@@H](NC[C@H](O)COC3=CC=C(O)C(NS(=O)(C)=O)=C3)CC2)C=C1
O=C(OCC)C1=CC=C([C@@H]2CC[C@@H](NC[C@H](O)COC3=CC=C(O)C(NS(=O)(C)=O)=C3)CC2)C=C1.Cl
http://www.opentox.org/api/1.1#CASRN
99300-78-4
http://www.opentox.org/api/1.1#ChemicalName
Venlafaxine hydrochloride
http://www.opentox.org/api/1.1#IUPACName
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
OC2(CCCCC2)C(CN(C)C)C1=CC=C(OC)C=C1
OC2(CCCCC2)C(CN(C)C)C1=CC=C(OC)C=C1.Cl
http://www.opentox.org/api/1.1#CASRN
122-48-5
http://www.opentox.org/api/1.1#ChemicalName
4-(4-Hydroxy-3-methoxyphenyl)-2-butanone
4-(4-hydroxy-3-methoxyphenyl)-2-butanone
http://www.opentox.org/api/1.1#IUPACName
4-(4-hydroxy-3-methoxyphenyl)butan-2-one
http://www.opentox.org/api/1.1#SMILES
CC(=O)CCc1ccc(c(c1)OC)O
O=C(C)CCC1=CC=C(O)C(OC)=C1
http://www.opentox.org/api/1.1#CASRN
1638-22-8
http://www.opentox.org/api/1.1#ChemicalName
4-Butylphenol
4-n-butylphenol
http://www.opentox.org/api/1.1#IUPACName
4-butylphenol
http://www.opentox.org/api/1.1#SMILES
CCCCc1ccc(cc1)O
OC1=CC=C(CCCC)C=C1
Oc1ccc(CCCC)cc1
http://www.opentox.org/api/1.1#CASRN
6149-03-7
http://www.opentox.org/api/1.1#ChemicalName
Sodium 4-octylbenzenesulfonate
http://www.opentox.org/api/1.1#IUPACName
sodium 4-octylbenzenesulfonate
http://www.opentox.org/api/1.1#SMILES
O=S(C1=CC=C(CCCCCCCC)C=C1)(O)=O
O=S(C1=CC=C(CCCCCCCC)C=C1)([O-])=O.[Na+]
OS(=O)(=O)c1ccc(CCCCCCCC)cc1
[Na+].O=S([O-])(=O)c1ccc(CCCCCCCC)cc1
http://www.opentox.org/api/1.1#CASRN
68412-54-4
http://www.opentox.org/api/1.1#ChemicalName
Igepal CO-890
http://www.opentox.org/api/1.1#IUPACName
2-{2-[4-(7-methyloctyl)phenoxy]ethoxy}ethanol
http://www.opentox.org/api/1.1#SMILES
CC(C)CCCCCCc1ccc(OCCOCCO)cc1
OCCOCCOC1=CC=C(CCCCCCC(C)C)C=C1
http://www.opentox.org/api/1.1#CASRN
7779-78-4
http://www.opentox.org/api/1.1#ChemicalName
4-Methyl-1-phenyl-2-pentanol
Methyl-1-phenylpentan-2-ol, 4-
http://www.opentox.org/api/1.1#IUPACName
4-methyl-1-phenylpentan-2-ol
http://www.opentox.org/api/1.1#SMILES
CC(C)CC(CC1=CC=CC=C1)O
CC(C)CC(O)CC1=CC=CC=C1
http://www.opentox.org/api/1.1#CASRN
57852-57-0
http://www.opentox.org/api/1.1#ChemicalName
Idarubicin hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranoside hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
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
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
http://www.opentox.org/api/1.1#CASRN
178175-60-5
http://www.opentox.org/api/1.1#ChemicalName
Hydrocodone triphosphate
http://www.opentox.org/api/1.1#IUPACName
(5alpha)-3-methoxy-17-methyl-4,5-epoxymorphinan-6-one phosphate (2:3)
http://www.opentox.org/api/1.1#SMILES
O=C5[C@H]2[C@]([C@](CC5)([H])[C@H](N(C)CC4)C3)4C1=C3C=CC(OC)=C1O2
O=C5[C@H]2[C@]([C@](CC5)([H])[C@H](N(C)CC4)C3)4C1=C3C=CC(OC)=C1O2.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=C%10[C@H]7[C@]([C@](CC%10)([H])[C@H](N(C)CC9)C8)9C6=C8C=CC(OC)=C6O7
http://www.opentox.org/api/1.1#CASRN
1215-83-4
http://www.opentox.org/api/1.1#ChemicalName
Clobutinol hydrochloride
http://www.opentox.org/api/1.1#CASRN
33643-46-8
http://www.opentox.org/api/1.1#ChemicalName
(S)-Ketamine
http://www.opentox.org/api/1.1#IUPACName
(2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone
http://www.opentox.org/api/1.1#SMILES
O=C2[C@](NC)(CCCC2)[C@@]1=CC=CC=C1Cl
http://www.opentox.org/api/1.1#CASRN
100678-32-8
http://www.opentox.org/api/1.1#ChemicalName
Cifenline succinate
http://www.opentox.org/api/1.1#IUPACName
2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole butanedioate (1:1)
http://www.opentox.org/api/1.1#SMILES
C1(C2CC(C4=CC=CC=C4)2C3=CC=CC=C3)=NCCN1
O=C(CCC(O)=O)O.C1(C2CC(C4=CC=CC=C4)2C3=CC=CC=C3)=NCCN1
http://www.opentox.org/api/1.1#CASRN
125317-39-7
http://www.opentox.org/api/1.1#ChemicalName
Vinorelbine tartrate
http://www.opentox.org/api/1.1#IUPACName
methyl (2b,3b,4b,5a,12b,19a)-4-(acetyloxy)-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate 2,3-dihydroxybutanedioate (1:2)
http://www.opentox.org/api/1.1#SMILES
O=[C@@](OC)[C@](C(N3)=C(C4)C2=C3C=CC=C2)([C@@]5=CC([C@]69[C@]8([H])[C@](C=CCN8CC9)(CC)[C@@H](OC(C)=O)[C@](O)([C@](OC)=O)[C@@]([H])6N7C)=C7C=C5OC)C[C@]1([H])C=C(CC)CN4C1
O=[C@@](OC)[C@](C(N3)=C(C4)C2=C3C=CC=C2)([C@@]5=CC([C@]69[C@]8([H])[C@](C=CCN8CC9)(CC)[C@@H](OC(C)=O)[C@](O)([C@](OC)=O)[C@@]([H])6N7C)=C7C=C5OC)C[C@]1([H])C=C(CC)CN4C1.O=C(O)C(O)C(O)C(O)=O.O=C(O)C(O)C(O)C(O)=O
http://www.opentox.org/api/1.1#CASRN
125-86-0
http://www.opentox.org/api/1.1#ChemicalName
Caramiphen edisylate
http://www.opentox.org/api/1.1#IUPACName
ethane-1,2-disulfonic acid - 2-(diethylamino)ethyl 1-phenylcyclopentanecarboxylate (1:2)
http://www.opentox.org/api/1.1#SMILES
O=C(C1(C2=CC=CC=C2)CCCC1)OCCN(CC)CC
O=S(CCS(=O)(O)=O)(O)=O.O=C(C1(C2=CC=CC=C2)CCCC1)OCCN(CC)CC.O=C(C3(C4=CC=CC=C4)CCCC3)OCCN(CC)CC
http://www.opentox.org/api/1.1#CASRN
113-07-5
http://www.opentox.org/api/1.1#ChemicalName
Doxapram hydrochloride
http://www.opentox.org/api/1.1#IUPACName
1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
O=C(N(CC3CCN4CCOCC4)CC)C(C2=CC=CC=C2)3C1=CC=CC=C1
O=C(N(CC3CCN4CCOCC4)CC)C(C2=CC=CC=C2)3C1=CC=CC=C1.Cl
http://www.opentox.org/api/1.1#CASRN
57-29-4
http://www.opentox.org/api/1.1#ChemicalName
Nalorphine hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(5alpha,6alpha)-17-(prop-2-en-1-yl)-7,8-didehydro-4,5-epoxymorphinan-3,6-diol hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
OC1=C3C([C@]([C@H]4O3)5[C@](C=C[C@@H]4O)([H])[C@H](N(CC=C)CC5)C2)=C2C=C1
OC1=C3C([C@]([C@H]4O3)5[C@](C=C[C@@H]4O)([H])[C@H](N(CC=C)CC5)C2)=C2C=C1.Cl
http://www.opentox.org/api/1.1#CASRN
18556-44-0
http://www.opentox.org/api/1.1#ChemicalName
Vinblastine sulfate
http://www.opentox.org/api/1.1#IUPACName
vincaleukoblastine sulfate (1:1)
http://www.opentox.org/api/1.1#SMILES
O[C@@]1(CC)C[C@H](C2)C[C@@]([C@]7=C(OC)C=C6N(C)[C@]5([H])[C@@](C6=C7)(CC9)[C@](N9CC=C8)([H])[C@]8(CC)[C@@H](OC(C)=O)[C@@](O)5[C@@](OC)=O)([C@](OC)=O)C(NC4=CC=CC=C34)=C3CCN2C1
O[C@@]1(CC)C[C@H](C2)C[C@@]([C@]7=C(OC)C=C6N(C)[C@]5([H])[C@@](C6=C7)(CC9)[C@](N9CC=C8)([H])[C@]8(CC)[C@@H](OC(C)=O)[C@@](O)5[C@@](OC)=O)([C@](OC)=O)C(NC4=CC=CC=C34)=C3CCN2C1.O=S(O)(O)=O
http://www.opentox.org/api/1.1#CASRN
1235-82-1
http://www.opentox.org/api/1.1#ChemicalName
Biperiden hydrochloride
http://www.opentox.org/api/1.1#IUPACName
1-(bicyclo[2.2.1]hept-5-en-2-yl)-1-phenyl-3-(piperidin-1-yl)propan-1-ol hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
OC(C3=CC=CC=C3)(CCN4CCCCC4)C1CC2C=CC1C2
OC(C3=CC=CC=C3)(CCN4CCCCC4)C1CC2C=CC1C2.Cl
http://www.opentox.org/api/1.1#CASRN
68060-64-0
http://www.opentox.org/api/1.1#ChemicalName
Rolitetracycline hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(4S,4aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(pyrrolidin-1-ylmethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride
http://www.opentox.org/api/1.1#SMILES
O=C(C(C(NCN1CCCC1)=O)=C(O)[C@@H](N(C)C)[C@]2([H])CC3[C@@](O)(C)C4=C5C(O)=CC=C4)[C@@]2(O)C(O)=C3C5=O
O=C(C(C(NCN1CCCC1)=O)=C(O)[C@@H](N(C)C)[C@]2([H])CC3[C@@](O)(C)C4=C5C(O)=CC=C4)[C@@]2(O)C(O)=C3C5=O.Cl
http://www.opentox.org/api/1.1#CASRN
16662-46-7
http://www.opentox.org/api/1.1#ChemicalName
Gallopamil hydrochloride
http://www.opentox.org/api/1.1#IUPACName
5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride
http://www.opentox.org/api/1.1#SMILES
N#CC(C(C)C)(CCCN(C)CCC1=CC(OC)=C(OC)C=C1)C2=CC(OC)=C(C(OC)=C2)OC.Cl
http://www.opentox.org/api/1.1#CASRN
80226-00-2
http://www.opentox.org/api/1.1#ChemicalName
(-)-Enterodiol
http://www.opentox.org/api/1.1#IUPACName
(2R,3R)-2,3-bis(3-hydroxybenzyl)butane-1,4-diol
http://www.opentox.org/api/1.1#SMILES
OC1=CC(C[C@@H](CO)[C@H](CO)CC2=CC(O)=CC=C2)=CC=C1
http://www.opentox.org/api/1.1#CASRN
1943-97-1
http://www.opentox.org/api/1.1#ChemicalName
4,4'-Octahydro-1H-4,7-methanoindene-5,5-diyldiphenol
http://www.opentox.org/api/1.1#IUPACName
4,4'-octahydro-1H-4,7-methanoindene-5,5-diyldiphenol
http://www.opentox.org/api/1.1#SMILES
OC1=CC=C(C2(C5=CC=C(O)C=C5)CC3CC2C4CCCC34)C=C1
http://www.opentox.org/api/1.1#CASRN
102409-92-7
http://www.opentox.org/api/1.1#ChemicalName
(1aS,8R,9S,9aS)-1-Acetyl-8-[(carbamoyloxy)methyl]-5-formyl-7-methoxy-1,1a,2,9a-tetrahydro-3,9-epoxyazireno[2,3-c][1]benzazocin-9(8H)-yl acetate
http://www.opentox.org/api/1.1#IUPACName
(1aS,8R,9S,9aS)-1-acetyl-8-[(carbamoyloxy)methyl]-5-formyl-7-methoxy-1,1a,2,9a-tetrahydro-3,9-epoxyazireno[2,3-c][1]benzazocin-9(8H)-yl acetate
http://www.opentox.org/api/1.1#SMILES
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
O=C(C)N2[C@@H]1[C@](O4)(OC(C)=O)[C@@H](COC(N)=O)C(C(OC)=CC(C=O)=C3)=C3N4C[C@@H]12
http://www.opentox.org/api/1.1#CASRN
NOCAS_48176
http://www.opentox.org/api/1.1#ChemicalName
N-[4-({(5Z)-5-[2-(1,4'-Bipiperidin-1'-yl)-2-oxoethylidene]-4,4-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}carbonyl)phenyl]-2-methylfuran-3-carboxamide (2E)-but-2-enedioate (2:1)
http://www.opentox.org/api/1.1#IUPACName
N-[4-({(5Z)-5-[2-(1,4'-bipiperidin-1'-yl)-2-oxoethylidene]-4,4-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}carbonyl)phenyl]-2-methylfuran-3-carboxamide (2E)-but-2-enedioate (2:1)
http://www.opentox.org/api/1.1#SMILES
Cc6occc6C(=O)Nc1ccc(cc1)C(=O)N5CCC(F)(F)C(=C\C(=O)N2CCC(CC2)N3CCCCC3)/c4ccccc45
O=C(C3=CC=C(NC(C4=C(C)OC=C4)=O)C=C3)N1C2=C(C=CC=C2)/C(C(F)(F)CC1)=C/C(N5CCC(N6CCCCC6)CC5)=O
O=C(C3=CC=C(NC(C4=C(C)OC=C4)=O)C=C3)N1C2=C(C=CC=C2)/C(C(F)(F)CC1)=C/C(N5CCC(N6CCCCC6)CC5)=O.O=C(O)/C=C/C(O)=O.O=C(C9=CC=C(NC(C%10=C(C)OC=C%10)=O)C=C9)N7C8=C(C=CC=C8)/C(C(F)(F)CC7)=C/C(N%11CCC(N%12CCCCC%12)CC%11)=O
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
http://www.opentox.org/api/1.1#CASRN
712-50-5
http://www.opentox.org/api/1.1#ChemicalName
Cyclohexylphenylketone
cyclohexyl phenyl ketone
http://www.opentox.org/api/1.1#IUPACName
cyclohexyl(phenyl)methanone
http://www.opentox.org/api/1.1#SMILES
O=C(C2CCCCC2)C1=CC=CC=C1
O=C(c1ccccc1)C2CCCCC2
c1ccc(cc1)C(=O)C2CCCCC2
http://www.opentox.org/api/1.1#CASRN
78473-71-9
http://www.opentox.org/api/1.1#ChemicalName
Enterolactone
http://www.opentox.org/api/1.1#IUPACName
(3R,4R)-3,4-bis(3-hydroxybenzyl)dihydrofuran-2(3H)-one
http://www.opentox.org/api/1.1#SMILES
O=C(OC2)[C@H](CC3=CC(O)=CC=C3)[C@H]2CC1=CC=CC(O)=C1
Oc1cccc(c1)C[C@H]3C(=O)OC[C@@H]3Cc2cc(O)ccc2
http://www.opentox.org/api/1.1#CASRN
15499-27-1
http://www.opentox.org/api/1.1#ChemicalName
4-Butylchlorobenzene
http://www.opentox.org/api/1.1#IUPACName
1-butyl-4-chlorobenzene
http://www.opentox.org/api/1.1#SMILES
ClC1=CC=C(CCCC)C=C1
Clc1ccc(CCCC)cc1
http://www.opentox.org/api/1.1#CASRN
1671-75-6
http://www.opentox.org/api/1.1#ChemicalName
1-heptanone, 1-phenyl-
Heptanophenone
http://www.opentox.org/api/1.1#IUPACName
1-phenylheptan-1-one
http://www.opentox.org/api/1.1#SMILES
O=C(CCCCCC)C1=CC=CC=C1
O=C(CCCCCC)c1ccccc1
http://www.opentox.org/api/1.1#CASRN
5407-98-7
http://www.opentox.org/api/1.1#ChemicalName
Cyclobutyl phenyl ketone
http://www.opentox.org/api/1.1#IUPACName
cyclobutyl(phenyl)methanone
http://www.opentox.org/api/1.1#SMILES
O=C(C2=CC=CC=C2)C1CCC1
O=C(c1ccccc1)C2CCC2
http://www.opentox.org/api/1.1#CASRN
79098-20-7
http://www.opentox.org/api/1.1#ChemicalName
4-Chloropentylbenzene
http://www.opentox.org/api/1.1#IUPACName
1-chloro-4-pentylbenzene
http://www.opentox.org/api/1.1#SMILES
ClC1=CC=C(CCCCC)C=C1
Clc1ccc(CCCCC)cc1
http://www.opentox.org/api/1.1#CASRN
588941-45-1
http://www.opentox.org/api/1.1#ChemicalName
(2R)-2-[3-Chloro-4-(methylsulfonyl)phenyl]-3-cyclopentyl-N-(pyrazin-2-yl)propanamide
http://www.opentox.org/api/1.1#IUPACName
(2R)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-cyclopentyl-N-(pyrazin-2-yl)propanamide
http://www.opentox.org/api/1.1#SMILES
O=C(NC2=NC=CN=C2)[C@@H](C3=CC=C(S(=O)(C)=O)C(Cl)=C3)CC1CCCC1
O=C(Nc1cnccn1)[C@H](CC2CCCC2)c3ccc(c(Cl)c3)S(C)(=O)=O
http://www.opentox.org/api/1.1#CASRN
NOCAS_48509
http://www.opentox.org/api/1.1#ChemicalName
(4-{[(2R)-7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-yl](propyl)amino}piperidin-1-yl)(piperidin-4-yl)methanone
http://www.opentox.org/api/1.1#IUPACName
(4-{[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl](propyl)amino}piperidin-1-yl)(piperidin-4-yl)methanone
http://www.opentox.org/api/1.1#SMILES
O=C(C1CCNCC1)N2CCC(CC2)N(CCC)[C@H]3Cc4cc(OC)ccc4CC3
O=C(C4CCNCC4)N1CCC(N(CCC)[C@H]3CC2=C(CC3)C=CC(OC)=C2)CC1
http://www.opentox.org/api/1.1#CASRN
625114-41-2
http://www.opentox.org/api/1.1#ChemicalName
Piragliatin
http://www.opentox.org/api/1.1#IUPACName
(2R)-2-[3-chloro-4-(methylsulfonyl)phenyl]-3-[(1R)-3-oxocyclopentyl]-N-(pyrazin-2-yl)propanamide
http://www.opentox.org/api/1.1#SMILES
O=C(Nc1cnccn1)[C@H](C[C@@H]2CC(=O)CC2)c3ccc(c(Cl)c3)S(C)(=O)=O
O=C1C[C@@H](C[C@@H](C(NC3=CN=CC=N3)=O)[C@]2=CC(Cl)=C(S(=O)(C)=O)C=C2)CC1
http://www.opentox.org/api/1.1#CASRN
104075-48-1
http://www.opentox.org/api/1.1#ChemicalName
Atipamezole hydrochloride
http://www.opentox.org/api/1.1#IUPACName
5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-1H-imidazole hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
CCC2(CC3=C(C=CC=C3)C2)C1=CN=CN1
CCC2(CC3=C(C=CC=C3)C2)C1=CN=CN1.Cl
http://www.opentox.org/api/1.1#CASRN
88475-69-8
http://www.opentox.org/api/1.1#ChemicalName
Beraprost sodium
http://www.opentox.org/api/1.1#IUPACName
sodium 4-{(1R,2R,3aS,8bS)-2-hydroxy-1-[(1E,3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl}butanoate
http://www.opentox.org/api/1.1#SMILES
O[C@H]3[C@H](/C=C/[C@@H](O)C(C)CC#CC)[C@@]2([H])C1=CC=CC(CCCC(O)=O)=C1O[C@]([H])2C3
O[C@H]3[C@H](/C=C/[C@@H](O)C(C)CC#CC)[C@@]2([H])C1=CC=CC(CCCC([O-])=O)=C1O[C@]([H])2C3.[Na+]
http://www.opentox.org/api/1.1#CASRN
83435-67-0
http://www.opentox.org/api/1.1#ChemicalName
Delapril hydrochloride
http://www.opentox.org/api/1.1#IUPACName
N-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanyl-N-(2,3-dihydro-1H-inden-2-yl)glycine hydrochloride (1:1)
http://www.opentox.org/api/1.1#SMILES
O=C([C@@H](N[C@@H](CCC3=CC=CC=C3)C(OCC)=O)C)N(CC(O)=O)C2CC1=CC=CC=C1C2
O=C([C@@H](N[C@@H](CCC3=CC=CC=C3)C(OCC)=O)C)N(CC(O)=O)C2CC1=CC=CC=C1C2.Cl
http://www.opentox.org/api/1.1#CASRN
13997-19-8
http://www.opentox.org/api/1.1#ChemicalName
Nequinate
nequinate
http://www.opentox.org/api/1.1#IUPACName
methyl 7-(benzyloxy)-6-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
http://www.opentox.org/api/1.1#SMILES
O=C(OC)c2cnc3cc(OCc1ccccc1)c(cc3c2O)CCCC
O=C1C(C(OC)=O)=CNC2=C1C=C(CCCC)C(OCC3=CC=CC=C3)=C2
http://www.opentox.org/api/1.1#CASRN
174484-41-4
http://www.opentox.org/api/1.1#ChemicalName
Tipranavir
http://www.opentox.org/api/1.1#IUPACName
N-(3-{(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide
http://www.opentox.org/api/1.1#SMILES
CCC[C@](CC(O)=C1[C@H](CC)C2=CC=CC(NS(C4=CC=C(C(F)(F)F)C=N4)(=O)=O)=C2)(CCC3=CC=CC=C3)OC1=O
http://www.opentox.org/api/1.1#CASRN
9002-96-4
http://www.opentox.org/api/1.1#ChemicalName
Tocophersolan
http://www.opentox.org/api/1.1#IUPACName
2-hydroxyethyl (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl butanedioate
http://www.opentox.org/api/1.1#SMILES
O=C(CCC(OCCO)=O)OC1=C(C)C2=C(O[C@@](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(C)CC2)C(C)=C1C
http://www.opentox.org/api/1.1#CASRN
117091-64-2
http://www.opentox.org/api/1.1#ChemicalName
Etoposide phosphate
http://www.opentox.org/api/1.1#IUPACName
4-[(5R,5aR)-9-({4,6-O-[(1R)-ethylidene]-b-D-glucopyranosyl}oxy)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]-2,6-dimethoxyphenyl dihydrogen phosphate
http://www.opentox.org/api/1.1#SMILES
OP(O)(OC1=C(OC)C=[C@@]([C@@H]([C@H]67)C3=CC2=C(C=C3C(C6CO[C@@]7=O)O[C@@H]([C@@H]5O)O[C@@H]4CO[C@H](O[C@H]4[C@@H]5O)C)OCO2)C=C1OC)=O
http://www.opentox.org/api/1.1#CASRN
122647-32-9
http://www.opentox.org/api/1.1#ChemicalName
Ibutilide fumarate
http://www.opentox.org/api/1.1#IUPACName
N-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide (2E)-but-2-enedioate (2:1) (salt)
http://www.opentox.org/api/1.1#SMILES
O=S(C)(=O)Nc1ccc(cc1)C(O)CCCN(CC)CCCCCCC
O=S(C)(=O)Nc1ccc(cc1)C(O)CCCN(CC)CCCCCCC.O=C(O)/C=C/C(=O)O.CCN(CCCCCCC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1
http://www.opentox.org/api/1.1#CASRN
4891-15-0
http://www.opentox.org/api/1.1#ChemicalName
Estramustine phosphate
http://www.opentox.org/api/1.1#IUPACName
(17beta)-17-(phosphonooxy)estra-1,3,5(10)-trien-3-yl bis(2-chloroethyl)carbamate
http://www.opentox.org/api/1.1#SMILES
ClCCN(CCCl)C(=O)Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@H](CC[C@@H]12)OP(=O)(O)O)c4cc3
http://www.opentox.org/api/1.1#CASRN
25447-66-9
http://www.opentox.org/api/1.1#ChemicalName
Dihydroergocriptine
http://www.opentox.org/api/1.1#IUPACName
(5alpha,5'alpha,8alpha,10beta)-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman
http://www.opentox.org/api/1.1#SMILES
CN1C[C@@H](C[C@@H]2c3cccc4ncc(C[C@@H]12)c34)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
http://www.opentox.org/api/1.1#CASRN
868540-17-4
http://www.opentox.org/api/1.1#ChemicalName
Carfilzomib
http://www.opentox.org/api/1.1#IUPACName
N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-{(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl}-L-phenylalaninamide
http://www.opentox.org/api/1.1#SMILES
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
http://www.opentox.org/api/1.1#CASRN
153439-40-8
http://www.opentox.org/api/1.1#ChemicalName
Fexofenadine hydrochloride
http://www.opentox.org/api/1.1#IUPACName
2-[4-(1-hydroxy-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butyl)phenyl]-2-methylpropanoic acid hydrochloride
http://www.opentox.org/api/1.1#SMILES
Cl.O=C(O)C(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4
O=C(O)C(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4
http://www.opentox.org/api/1.1#CASRN
36304-84-4
http://www.opentox.org/api/1.1#ChemicalName
Dimemorfan phosphate
http://www.opentox.org/api/1.1#IUPACName
(9alpha,13alpha,14alpha)-3,17-dimethylmorphinan phosphate
http://www.opentox.org/api/1.1#SMILES
Cc3ccc4C[C@@H]1N(C)CC[C@]2(CCCC[C@H]12)c4c3
O=P(O)(O)O.Cc3ccc4C[C@@H]1N(C)CC[C@]2(CCCC[C@H]12)c4c3
http://www.opentox.org/api/1.1#CASRN
6559-91-7
http://www.opentox.org/api/1.1#ChemicalName
4'-Demethylepipodophyllotoxin
http://www.opentox.org/api/1.1#IUPACName
(5R,5aR,8aR,9S)-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
http://www.opentox.org/api/1.1#SMILES
COc1cc(cc(OC)c1O)[C@@H]3c2cc5OCOc5cc2[C@@H](O)[C@H]4COC(=O)[C@H]34
http://www.opentox.org/api/1.1#CASRN
114856-44-9
http://www.opentox.org/api/1.1#ChemicalName
Oberadilol
http://www.opentox.org/api/1.1#IUPACName
4-chloro-2-{2-hydroxy-3-[(2-methyl-1-{[4-(4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl]amino}propan-2-yl)amino]propoxy}benzonitrile
http://www.opentox.org/api/1.1#SMILES
Clc3cc(OCC(O)CNC(C)(C)CNc1ccc(cc1)C2=NNC(=O)CC2C)c(C#N)cc3
http://www.opentox.org/api/1.1#CASRN
33643-49-1
http://www.opentox.org/api/1.1#ChemicalName
Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (2R)-
http://www.opentox.org/api/1.1#IUPACName
(2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone
http://www.opentox.org/api/1.1#SMILES
CN[C@]1(CCCCC1=O)c2ccccc2Cl
http://www.opentox.org/api/1.1#CASRN
5982-61-6
http://www.opentox.org/api/1.1#ChemicalName
Ethoheptazine hydrochloride
http://www.opentox.org/api/1.1#IUPACName
ethyl 1-methyl-4-phenylazepane-4-carboxylate hydrochloride
http://www.opentox.org/api/1.1#SMILES
CN1CCCC(CC1)(C(=O)OCC)c2ccccc2
Cl.CN1CCCC(CC1)(C(=O)OCC)c2ccccc2
http://www.opentox.org/api/1.1#CASRN
263248-42-6
http://www.opentox.org/api/1.1#ChemicalName
Zanapezil fumerate
http://www.opentox.org/api/1.1#IUPACName
3-(1-benzylpiperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)propan-1-one (2E)-but-2-enedioate
http://www.opentox.org/api/1.1#SMILES
O=C(CCC2CCN(Cc1ccccc1)CC2)c3ccc4CCCCNc4c3
O=C(O)/C=C/C(=O)O.O=C(CCC2CCN(Cc1ccccc1)CC2)c3ccc4CCCCNc4c3
http://www.opentox.org/api/1.1#CASRN
150683-30-0
http://www.opentox.org/api/1.1#ChemicalName
Tolvaptan
http://www.opentox.org/api/1.1#IUPACName
N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide
http://www.opentox.org/api/1.1#SMILES
Cc1ccccc1C(=O)Nc2ccc(c(C)c2)C(=O)N4CCCC(O)c3cc(Cl)ccc34
http://www.opentox.org/api/1.1#CASRN
187269-40-5
http://www.opentox.org/api/1.1#ChemicalName
Bimosiamose
http://www.opentox.org/api/1.1#IUPACName
2,2'-{hexane-1,6-diylbis[6'-(alpha-D-mannopyranosyloxy)biphenyl-3',3-diyl]}diacetic acid
http://www.opentox.org/api/1.1#SMILES
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
http://www.opentox.org/api/1.1#CASRN
243120-89-0
http://www.opentox.org/api/1.1#ChemicalName
[1,1'-Biphenyl]-3-acetic acid, 3',3'''-(1,6-hexanediyl)bis[6'-[(2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranosyl)oxy]-, diethyl ester
http://www.opentox.org/api/1.1#IUPACName
diethyl 2,2'-(hexane-1,6-diylbis{6'-[(2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranosyl)oxy]biphenyl-3',3-diyl})diacetate
http://www.opentox.org/api/1.1#SMILES
CC(=O)O[C@H]6[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H]6Oc2ccc(cc2c1cccc(CC(=O)OCC)c1)CCCCCCc4ccc(O[C@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(c4)c5cccc(CC(=O)OCC)c5
http://www.opentox.org/api/1.1#CASRN
101973-77-7
http://www.opentox.org/api/1.1#ChemicalName
Esonarimod
http://www.opentox.org/api/1.1#IUPACName
2-[(acetylsulfanyl)methyl]-4-(4-methylphenyl)-4-oxobutanoic acid
http://www.opentox.org/api/1.1#SMILES
Cc1ccc(cc1)C(=O)CC(CSC(C)=O)C(=O)O
http://www.opentox.org/api/1.1#CASRN
7296-30-2
http://www.opentox.org/api/1.1#ChemicalName
Safrazine hydrochloride
http://www.opentox.org/api/1.1#IUPACName
[4-(1,3-benzodioxol-5-yl)butan-2-yl]hydrazine hydrochloride
http://www.opentox.org/api/1.1#SMILES
CC(NN)CCc1ccc2OCOc2c1
Cl.CC(NN)CCc1ccc2OCOc2c1
http://www.opentox.org/api/1.1#CASRN
1934-71-0
http://www.opentox.org/api/1.1#ChemicalName
1-Phenylcyclohexylamine hydrochloride
http://www.opentox.org/api/1.1#IUPACName
1-phenylcyclohexanamine hydrochloride
http://www.opentox.org/api/1.1#SMILES
Cl.NC1(CCCCC1)c2ccccc2
NC1(CCCCC1)c2ccccc2
http://www.opentox.org/api/1.1#CASRN
1422-07-7
http://www.opentox.org/api/1.1#ChemicalName
Codeine hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(5alpha,6alpha)-3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol hydrochloride
http://www.opentox.org/api/1.1#SMILES
COc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45
Cl.COc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45
http://www.opentox.org/api/1.1#CASRN
53152-21-9
http://www.opentox.org/api/1.1#ChemicalName
Buprenorphine hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(5alpha,14beta,18R)-17-(cyclopropylmethyl)-18-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol hydrochloride
http://www.opentox.org/api/1.1#SMILES
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
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
http://www.opentox.org/api/1.1#CASRN
14648-14-7
http://www.opentox.org/api/1.1#ChemicalName
N-Norcodeine hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(5alpha,6alpha)-3-methoxy-7,8-didehydro-4,5-epoxymorphinan-6-ol hydrochloride
http://www.opentox.org/api/1.1#SMILES
COc1ccc2C[C@H]4NCC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45
Cl.COc1ccc2C[C@H]4NCC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45
http://www.opentox.org/api/1.1#CASRN
795-38-0
http://www.opentox.org/api/1.1#ChemicalName
Dihydroisocodeine
http://www.opentox.org/api/1.1#IUPACName
(5alpha,6beta)-3-methoxy-17-methyl-4,5-epoxymorphinan-6-ol
http://www.opentox.org/api/1.1#SMILES
COc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@H](O)CC[C@@H]45
http://www.opentox.org/api/1.1#CASRN
1502-95-0
http://www.opentox.org/api/1.1#ChemicalName
(-)-Heroin hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl diacetate hydrochloride
http://www.opentox.org/api/1.1#SMILES
CC(=O)Oc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@H](C=C[C@@H]45)OC(C)=O
Cl.CC(=O)Oc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@H](C=C[C@@H]45)OC(C)=O
http://www.opentox.org/api/1.1#CASRN
133005-40-0
http://www.opentox.org/api/1.1#ChemicalName
(+)-Metazocine fumarate (2:1)
http://www.opentox.org/api/1.1#IUPACName
(2S,6S,11R)-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol (2E)-but-2-enedioate (2:1)
http://www.opentox.org/api/1.1#SMILES
O=C(O)/C=C/C(O)=O.OC3=CC1=C(C=C3)C[C@]2([H])N(C)CC[C@](C)1[C@H]2C.OC6=CC4=C(C=C6)C[C@]5([H])N(C)CC[C@](C)4[C@H]5C
OC3=CC1=C(C=C3)C[C@]2([H])N(C)CC[C@](C)1[C@H]2C
http://www.opentox.org/api/1.1#CASRN
120693-79-0
http://www.opentox.org/api/1.1#ChemicalName
(-)-Metazocine fumarate
http://www.opentox.org/api/1.1#IUPACName
(2R,6R,11S)-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
http://www.opentox.org/api/1.1#SMILES
O=C(O)/C=C/C(=O)O.Oc2ccc3C[C@@H]1C(C)[C@@](C)(CCN1C)c3c2
Oc2ccc3C[C@@H]1C(C)[C@@](C)(CCN1C)c3c2
http://www.opentox.org/api/1.1#CASRN
125-79-1
http://www.opentox.org/api/1.1#ChemicalName
Premethadone
http://www.opentox.org/api/1.1#IUPACName
4-(dimethylamino)-2,2-diphenylpentanenitrile
http://www.opentox.org/api/1.1#SMILES
CN(C)C(C)CC(C#N)(c1ccccc1)c2ccccc2
http://www.opentox.org/api/1.1#CASRN
1639-60-7
http://www.opentox.org/api/1.1#ChemicalName
(2S,3R)-(+)-4-(Dimethylamino)-3-methyl-1,2-diphenyl-2-butanol propionate hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl propanoate hydrochloride
http://www.opentox.org/api/1.1#SMILES
CN(C)C[C@@H](C)[C@@](OC(=O)CC)(Cc1ccccc1)c2ccccc2
Cl.CN(C)C[C@@H](C)[C@@](OC(=O)CC)(Cc1ccccc1)c2ccccc2
http://www.opentox.org/api/1.1#CASRN
6211-15-0
http://www.opentox.org/api/1.1#ChemicalName
Morphine sulfate pentahydrate
http://www.opentox.org/api/1.1#IUPACName
(5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol sulfate (2:1) pentahydrate (salt)
http://www.opentox.org/api/1.1#SMILES
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
Oc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45
http://www.opentox.org/api/1.1#CASRN
3372-02-9
http://www.opentox.org/api/1.1#ChemicalName
N-Normorphine hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(5alpha,6alpha)-7,8-didehydro-4,5-epoxymorphinan-3,6-diol hydrochloride
http://www.opentox.org/api/1.1#SMILES
Cl.Oc1ccc2C[C@H]4NCC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45
Oc1ccc2C[C@H]4NCC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45
http://www.opentox.org/api/1.1#CASRN
53757-34-9
http://www.opentox.org/api/1.1#ChemicalName
(-)-alpha-Methadol hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(3R,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-ol hydrochloride
http://www.opentox.org/api/1.1#SMILES
Cl.O[C@H](CC)C(C[C@@H](C)N(C)C)(c1ccccc1)c2ccccc2
O[C@H](CC)C(C[C@@H](C)N(C)C)(c1ccccc1)c2ccccc2
http://www.opentox.org/api/1.1#CASRN
49570-63-0
http://www.opentox.org/api/1.1#ChemicalName
(+)-alpha-Methadol hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-ol hydrochloride
http://www.opentox.org/api/1.1#SMILES
Cl.O[C@@H](CC)C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2
O[C@@H](CC)C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2
http://www.opentox.org/api/1.1#CASRN
55096-75-8
http://www.opentox.org/api/1.1#ChemicalName
L-alpha-Acetyl-N-normethadol hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(3S)-6-(methylamino)-4,4-diphenylheptan-3-yl acetate hydrochloride
http://www.opentox.org/api/1.1#SMILES
C[C@@H](NC)CC(c1ccccc1)(c2ccccc2)[C@@H](OC(C)=O)CC
Cl.C[C@@H](NC)CC(c1ccccc1)(c2ccccc2)[C@@H](OC(C)=O)CC
http://www.opentox.org/api/1.1#CASRN
124819-26-7
http://www.opentox.org/api/1.1#ChemicalName
(+)-Pentazocine succinate
http://www.opentox.org/api/1.1#IUPACName
(2R,6R,11R)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol butanedioate (salt)
http://www.opentox.org/api/1.1#SMILES
C/C(C)=C\CN2CC[C@@]1(C)c3cc(O)ccc3C[C@@H]2[C@@H]1C
O=C(O)CCC(=O)O.C/C(C)=C\CN2CC[C@@]1(C)c3cc(O)ccc3C[C@@H]2[C@@H]1C
http://www.opentox.org/api/1.1#CASRN
124819-25-6
http://www.opentox.org/api/1.1#ChemicalName
(-)-Pentazocine succinate
http://www.opentox.org/api/1.1#IUPACName
(2R,6R,11R)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol butanedioate (salt)
http://www.opentox.org/api/1.1#SMILES
C/C(C)=C\CN2CC[C@@]1(C)c3cc(O)ccc3C[C@@H]2[C@@H]1C
O=C(O)CCC(=O)O.C/C(C)=C\CN2CC[C@@]1(C)c3cc(O)ccc3C[C@@H]2[C@@H]1C
http://www.opentox.org/api/1.1#CASRN
63903-74-2
http://www.opentox.org/api/1.1#ChemicalName
(+)-Phenazocine hydrobromide
http://www.opentox.org/api/1.1#IUPACName
6,11-dimethyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol hydrobromide
http://www.opentox.org/api/1.1#SMILES
Br.Oc3ccc4CC2C(C)C(C)(CCN2CCc1ccccc1)c4c3
Oc3ccc4CC2C(C)C(C)(CCN2CCc1ccccc1)c4c3
http://www.opentox.org/api/1.1#CASRN
58918-34-6
http://www.opentox.org/api/1.1#ChemicalName
(-)-Phenazocine hydrobromide
http://www.opentox.org/api/1.1#IUPACName
(6R,11S)-6,11-dimethyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol hydrobromide (1:1)
http://www.opentox.org/api/1.1#SMILES
Br.Oc3ccc4CC2[C@H](C)[C@@](C)(CCN2CCc1ccccc1)c4c3
Oc3ccc4CC2[C@H](C)[C@@](C)(CCN2CCc1ccccc1)c4c3
http://www.opentox.org/api/1.1#CASRN
230615-23-3
http://www.opentox.org/api/1.1#ChemicalName
Varenicline dihydrochloride
http://www.opentox.org/api/1.1#IUPACName
7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline hydrochloride
http://www.opentox.org/api/1.1#SMILES
Cl.c1c4c(cc2nccnc12)C3CC4CNC3
c1c4c(cc2nccnc12)C3CC4CNC3
http://www.opentox.org/api/1.1#CASRN
1032350-13-2
http://www.opentox.org/api/1.1#ChemicalName
MK-2206
http://www.opentox.org/api/1.1#IUPACName
8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one
http://www.opentox.org/api/1.1#SMILES
NC1(CCC1)c2ccc(cc2)c3nc5C=CN6C(=O)NN=C6c5cc3c4ccccc4
http://www.opentox.org/api/1.1#CASRN
58546-54-6
http://www.opentox.org/api/1.1#ChemicalName
Gomisin A
http://www.opentox.org/api/1.1#IUPACName
(6R,7R)-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-6-ol
http://www.opentox.org/api/1.1#SMILES
C[C@@H]1Cc3cc4OCOc4c(OC)c3c2c(OC)c(OC)c(OC)cc2C[C@@]1(C)O
http://www.opentox.org/api/1.1#CASRN
52205-73-9
http://www.opentox.org/api/1.1#ChemicalName
Estramustine phosphate sodium
http://www.opentox.org/api/1.1#IUPACName
disodium (17beta)-3-{[bis(2-chloroethyl)carbamoyl]oxy}estra-1,3,5(10)-trien-17-yl phosphate
http://www.opentox.org/api/1.1#SMILES
ClCCN(CCCl)C(=O)Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@H](CC[C@@H]12)OP(=O)(O)O)c4cc3
[Na+].[Na+].ClCCN(CCCl)C(=O)Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@H](CC[C@@H]12)OP([O-])([O-])=O)c4cc3
http://www.opentox.org/api/1.1#CASRN
7082-21-5
http://www.opentox.org/api/1.1#ChemicalName
Terodiline hydrochloride
http://www.opentox.org/api/1.1#IUPACName
N-tert-butyl-4,4-diphenylbutan-2-amine hydrochloride
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)NC(C)CC(c1ccccc1)c2ccccc2
Cl.CC(C)(C)NC(C)CC(c1ccccc1)c2ccccc2
http://www.opentox.org/api/1.1#CASRN
76420-72-9
http://www.opentox.org/api/1.1#ChemicalName
Enalapril acid
http://www.opentox.org/api/1.1#IUPACName
N-[(1R)-1-carboxy-3-phenylpropyl]-L-alanyl-L-proline
http://www.opentox.org/api/1.1#SMILES
OC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N[C@H](CCc1ccccc1)C(=O)O
http://www.opentox.org/api/1.1#CASRN
3758-34-7
http://www.opentox.org/api/1.1#ChemicalName
beta-Estradiol 17-propionate
http://www.opentox.org/api/1.1#IUPACName
(17beta)-3-hydroxyestra-1(10),2,4-trien-17-yl propanoate
http://www.opentox.org/api/1.1#SMILES
CCC(=O)O[C@H]2CC[C@H]3[C@@H]4CCc1cc(O)ccc1[C@H]4CC[C@]23C
http://www.opentox.org/api/1.1#CASRN
521-35-7
http://www.opentox.org/api/1.1#ChemicalName
6,6,9-trimethyl-3-pentyl-6h-benzo[c]chromen-1-ol
Cannabinol
http://www.opentox.org/api/1.1#IUPACName
6,6,9-trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol
http://www.opentox.org/api/1.1#SMILES
Cc2cc3c1c(cc(cc1O)CCCCC)OC(C)(C)c3cc2
http://www.opentox.org/api/1.1#CASRN
143-98-6
http://www.opentox.org/api/1.1#ChemicalName
Dextrorphan tartrate
http://www.opentox.org/api/1.1#IUPACName
(9alpha,13alpha,14alpha)-17-methylmorphinan-3-ol 2,3-dihydroxybutanedioate (salt)
http://www.opentox.org/api/1.1#SMILES
O=C(O)[C@H](O)[C@@H](O)C(=O)O.Oc3ccc4C[C@@H]1N(C)CC[C@]2(CCCC[C@H]12)c4c3
Oc3ccc4C[C@@H]1N(C)CC[C@]2(CCCC[C@H]12)c4c3
http://www.opentox.org/api/1.1#CASRN
66794-74-9
http://www.opentox.org/api/1.1#ChemicalName
Encainide hydrochloride
http://www.opentox.org/api/1.1#IUPACName
4-methoxy-N-{2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl}benzamide hydrochloride
http://www.opentox.org/api/1.1#SMILES
CN3CCCCC3CCc2ccccc2NC(=O)c1ccc(OC)cc1
Cl.CN3CCCCC3CCc2ccccc2NC(=O)c1ccc(OC)cc1
http://www.opentox.org/api/1.1#CASRN
7313-87-3
http://www.opentox.org/api/1.1#ChemicalName
2,6-Methano-3-benzazocin-8-ol, 3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-, (2S,6S,11S)-
http://www.opentox.org/api/1.1#IUPACName
(2S,6S,11S)-3-(cyclopropylmethyl)-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
http://www.opentox.org/api/1.1#SMILES
Oc3ccc4C[C@H]2[C@@H](C)[C@](C)(CCN2CC1CC1)c4c3
http://www.opentox.org/api/1.1#CASRN
466-97-7
http://www.opentox.org/api/1.1#ChemicalName
Normorphine
http://www.opentox.org/api/1.1#IUPACName
(5alpha,6alpha)-7,8-didehydro-4,5-epoxymorphinan-3,6-diol
http://www.opentox.org/api/1.1#SMILES
Oc1ccc2C[C@H]4NCC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45
http://www.opentox.org/api/1.1#CASRN
26864-56-2
http://www.opentox.org/api/1.1#ChemicalName
Penfluridol
penfluridol
http://www.opentox.org/api/1.1#IUPACName
1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
http://www.opentox.org/api/1.1#SMILES
FC(F)(F)c1cc(ccc1Cl)C4(O)CCN(CCCC(c2ccc(F)cc2)c3ccc(F)cc3)CC4
http://www.opentox.org/api/1.1#CASRN
90-22-2
http://www.opentox.org/api/1.1#ChemicalName
Diethylmethyl(2-3-methyl-2-phenylvaleryloxy)-ethyl)ammonium bromide
http://www.opentox.org/api/1.1#IUPACName
N,N-diethyl-N-methyl-2-[(3-methyl-2-phenylpentanoyl)oxy]ethanaminium bromide
http://www.opentox.org/api/1.1#SMILES
CC[N+](C)(CC)CCOC(=O)C(C(C)CC)c1ccccc1
[Br-].CC[N+](C)(CC)CCOC(=O)C(C(C)CC)c1ccccc1
http://www.opentox.org/api/1.1#CASRN
54-28-4
http://www.opentox.org/api/1.1#ChemicalName
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-
http://www.opentox.org/api/1.1#IUPACName
(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
http://www.opentox.org/api/1.1#SMILES
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1
http://www.opentox.org/api/1.1#CASRN
1217457-81-2
http://www.opentox.org/api/1.1#ChemicalName
(S)-(+)-Dimethindene maleate
http://www.opentox.org/api/1.1#IUPACName
N,N-dimethyl-2-{3-[(1S)-1-(pyridin-2-yl)ethyl]-1H-inden-2-yl}ethanamine (2Z)-but-2-enedioate (1:1)
http://www.opentox.org/api/1.1#SMILES
C[C@@H](C=1c2ccccc2CC=1CCN(C)C)c3ccccn3
C[C@@H](C=1c2ccccc2CC=1CCN(C)C)c3ccccn3.O=C(O)/C=C\C(=O)O
http://www.opentox.org/api/1.1#CASRN
173399-03-6
http://www.opentox.org/api/1.1#ChemicalName
Aliskiren hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-2-(propan-2-yl)nonanamide hydrochloride
http://www.opentox.org/api/1.1#SMILES
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
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
http://www.opentox.org/api/1.1#CASRN
1050-79-9
http://www.opentox.org/api/1.1#ChemicalName
Moperone
http://www.opentox.org/api/1.1#IUPACName
1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]butan-1-one sulfate (salt)
http://www.opentox.org/api/1.1#SMILES
Fc1ccc(cc1)C(=O)CCCN2CCC(O)(CC2)c3ccc(C)cc3
O=S(=O)(O)O.Fc1ccc(cc1)C(=O)CCCN2CCC(O)(CC2)c3ccc(C)cc3
http://www.opentox.org/api/1.1#CASRN
169293-50-9
http://www.opentox.org/api/1.1#ChemicalName
rac Nebivolol hydrochloride
http://www.opentox.org/api/1.1#IUPACName
(1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-({(2S)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl}amino)ethanol hydrochloride
http://www.opentox.org/api/1.1#SMILES
Cl.Fc1cc2CC[C@@H](Oc2cc1)[C@@H](O)CNC[C@H](O)[C@@H]3CCc4cc(F)ccc4O3
Fc1cc2CC[C@@H](Oc2cc1)[C@@H](O)CNC[C@H](O)[C@@H]3CCc4cc(F)ccc4O3
http://www.opentox.org/api/1.1#CASRN
389574-19-0
http://www.opentox.org/api/1.1#ChemicalName
Prasugrel hydrochloride
http://www.opentox.org/api/1.1#IUPACName
5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate hydrochloride
http://www.opentox.org/api/1.1#SMILES
Cl.Fc1ccccc1C(N2CCc3sc(cc3C2)OC(C)=O)C(=O)C4CC4
Fc1ccccc1C(N2CCc3sc(cc3C2)OC(C)=O)C(=O)C4CC4
http://www.opentox.org/api/1.1#CASRN
375815-87-5
http://www.opentox.org/api/1.1#ChemicalName
Varenicline tartrate
http://www.opentox.org/api/1.1#IUPACName
7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline 2,3-dihydroxybutanedioate (salt)
http://www.opentox.org/api/1.1#SMILES
O=C(O)[C@H](O)[C@@H](O)C(=O)O.c1c4c(cc2nccnc12)C3CC4CNC3
c1c4c(cc2nccnc12)C3CC4CNC3
http://www.opentox.org/api/1.1#CASRN
59917-39-4
http://www.opentox.org/api/1.1#ChemicalName
Vindesine sulfate salt
http://www.opentox.org/api/1.1#IUPACName
methyl (5S,7S,9S)-9-[(2beta,3beta,4beta,5alpha,12beta,19alpha)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-met
http://www.opentox.org/api/1.1#SMILES
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](O)[C@]6(O)C(N)=O)[C@H]78
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](O)[C@]6(O)C(N)=O)[C@H]78
http://www.opentox.org/api/1.1#CASRN
71109-09-6
http://www.opentox.org/api/1.1#ChemicalName
Quadrisol
http://www.opentox.org/api/1.1#IUPACName
2-(4-cyclohexylnaphthalen-1-yl)propanoic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C(C)c2ccc(c1ccccc12)C3CCCCC3
http://www.opentox.org/api/1.1#CASRN
104054-27-5
http://www.opentox.org/api/1.1#ChemicalName
Atipamezole
http://www.opentox.org/api/1.1#IUPACName
5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-1H-imidazole
http://www.opentox.org/api/1.1#SMILES
CCC1(Cc2ccccc2C1)c3cncn3
http://www.opentox.org/api/1.1#CASRN
3331-46-2
http://www.opentox.org/api/1.1#ChemicalName
9,10-Dihydrobenzo[a]pyren-7(8H)-one
9,10-dihydrobenzo[a]pyrene-7(8h)-one
http://www.opentox.org/api/1.1#IUPACName
9,10-dihydrobenzo[pqr]tetraphen-7(8H)-one
http://www.opentox.org/api/1.1#SMILES
O=C5CCCc1c5cc2ccc4cccc3ccc1c2c34
c1cc2ccc3cc4c(c5c3c2c(c1)cc5)CCCC4=O
http://www.opentox.org/api/1.1#CASRN
NOCAS_49391
http://www.opentox.org/api/1.1#ChemicalName
Tributyltetradecylphosphonium dodecylbenzenesulfonate
http://www.opentox.org/api/1.1#IUPACName
tributyl(tetradecyl)phosphonium 2-dodecylbenzenesulfonate
http://www.opentox.org/api/1.1#SMILES
CCCC[P+](CCCC)(CCCC)CCCCCCCCCCCCCC
O=S([O-])(=O)c1ccccc1CCCCCCCCCCCC.CCCC[P+](CCCC)(CCCC)CCCCCCCCCCCCCC
http://www.opentox.org/api/1.1#CASRN
84-79-7
http://www.opentox.org/api/1.1#ChemicalName
Lapachol
lapachol
http://www.opentox.org/api/1.1#IUPACName
2-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione
http://www.opentox.org/api/1.1#SMILES
C/C(C)=CCC=2C(=O)c1ccccc1C(=O)C=2O
C/C(C)=C\CC=2C(=O)c1ccccc1C(=O)C=2O
http://www.opentox.org/api/1.1#CASRN
121588-75-8
http://www.opentox.org/api/1.1#ChemicalName
LY237733
http://www.opentox.org/api/1.1#SMILES
CN1C[C@@H](CC2C3=C4C(CC12)=CN(C4=CC=C3)C(C)C)C(=O)NC5CCCCC5
http://www.opentox.org/api/1.1#CASRN
26514.0
http://www.opentox.org/api/1.1#ChemicalName
Tetrahydrocannabinol, beta-9-
dronabinol
http://www.opentox.org/api/1.1#SMILES
CCCCCc2cc1OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c1c(O)c2
[H][C@@]12CCC(C)=C[C@@]1([H])C3=C(OC2(C)C)C=C(CCCCC)C=C3O
http://www.opentox.org/api/1.1#CASRN
26538-44-3
55331-29-8
http://www.opentox.org/api/1.1#ChemicalName
Zeranol
http://www.opentox.org/api/1.1#SMILES
CC1CCCC(O)CCCCCC2=CC(O)=CC(O)=C2C(=O)O1
http://www.opentox.org/api/1.1#ChemicalName
5-hydroxytryptophan dl-form
http://www.opentox.org/api/1.1#SMILES
O=C(O)C(N)Cc2cnc1ccc(O)cc12
http://www.opentox.org/api/1.1#CASRN
50-28-2
http://www.opentox.org/api/1.1#ChemicalName
a-estradiol
beta-estradiol
estradiol
http://www.opentox.org/api/1.1#SMILES
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O
Oc3cc4CCC2C(CCC1(C)C2CCC1O)c4cc3
http://www.opentox.org/api/1.1#ChemicalName
dicumarol
http://www.opentox.org/api/1.1#SMILES
OC=4Oc1ccccc1C(=O)C=4CC=2C(=O)c3ccccc3OC=2O
http://www.opentox.org/api/1.1#ChemicalName
quinestrol
http://www.opentox.org/api/1.1#SMILES
C#CC3(O)CCC2C4CCc1cc(ccc1C4CCC23C)OC5CCCC5
C#C[C@]5(O)CC[C@@H]2[C@]5(C)CC[C@@H]3c4ccc(OC1CCCC1)cc4CC[C@@H]23
http://www.opentox.org/api/1.1#CASRN
25316-40-9
http://www.opentox.org/api/1.1#ChemicalName
adriamycin
doxorubicin
epirubicin
http://www.opentox.org/api/1.1#SMILES
OCC(=O)C4(O)CC(OC1CC(N)C(O)C(C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4
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
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
http://www.opentox.org/api/1.1#ChemicalName
n-acetyl-l-tryptophan
n-acetyltryptophan
http://www.opentox.org/api/1.1#SMILES
O=C(O)C(NC(C)=O)Cc2cnc1ccccc12
O=C(O)[C@@H](NC(C)=O)Cc2cnc1ccccc12
http://www.opentox.org/api/1.1#CASRN
59-02-9
http://www.opentox.org/api/1.1#ChemicalName
(2r)-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]chroman-6-ol
vitamin e
http://www.opentox.org/api/1.1#SMILES
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(O1)c(C)c(C)c(O)c2C
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(O1)c(C)c(C)c(O)c2C
http://www.opentox.org/api/1.1#ChemicalName
anisomycin
http://www.opentox.org/api/1.1#SMILES
O=C(C)OC2C(Cc1ccc(OC)cc1)NCC2O
http://www.opentox.org/api/1.1#ChemicalName
benazepril
http://www.opentox.org/api/1.1#SMILES
O=C(OCC)C(CCc1ccccc1)NC3CCc2ccccc2N(CC(=O)O)C3=O
O=C(OCC)[C@H](CCc1ccccc1)N[C@H]3CCc2ccccc2N(CC(=O)O)C3=O
http://www.opentox.org/api/1.1#ChemicalName
beta-peltatin
http://www.opentox.org/api/1.1#SMILES
COc1cc(cc(OC)c1OC)C2c4cc5OCOc5c(O)c4CC3COC(=O)C23
http://www.opentox.org/api/1.1#ChemicalName
buprenorphine
http://www.opentox.org/api/1.1#SMILES
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
COC12CCC3(CC1C(C)(O)C(C)(C)C)C4Cc6ccc(O)c7OC2C3(CCN4CC5CC5)c67
http://www.opentox.org/api/1.1#ChemicalName
cephaeline
http://www.opentox.org/api/1.1#SMILES
Oc4cc5CCNC(CC1CC2c3cc(OC)c(OC)cc3CCN2CC1CC)c5cc4OC
http://www.opentox.org/api/1.1#ChemicalName
cifenline
http://www.opentox.org/api/1.1#SMILES
C2C(C1=NCCN1)C2(c3ccccc3)c4ccccc4
http://www.opentox.org/api/1.1#CASRN
20830-81-3
http://www.opentox.org/api/1.1#ChemicalName
daunomycin
daunorubicin
http://www.opentox.org/api/1.1#SMILES
CC(=O)C4(O)CC(OC1CC(N)C(O)C(C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4
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
http://www.opentox.org/api/1.1#ChemicalName
dihydrocodeine
http://www.opentox.org/api/1.1#SMILES
COc1ccc2CC5N(C)CCC43C5CCC(O)C4Oc1c23
COc5ccc1C[C@H]2N(C)CC[C@@]34c1c5O[C@H]4[C@@H](O)CC[C@@H]23
http://www.opentox.org/api/1.1#ChemicalName
ubenimex
http://www.opentox.org/api/1.1#SMILES
CC(C)CC(NC(=O)C(O)C(N)Cc1ccccc1)C(O)=O
http://www.opentox.org/api/1.1#ChemicalName
equilin
http://www.opentox.org/api/1.1#SMILES
Oc3cc4CC=C1C(CCC2(C)C(=O)CCC12)c4cc3
Oc3cc4CC=C1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)c4cc3
http://www.opentox.org/api/1.1#ChemicalName
ergonovine
http://www.opentox.org/api/1.1#SMILES
CC(CO)NC(=O)C4C=C1C(Cc2cnc3cccc1c23)N(C)C4
C[C@@H](CO)NC(=O)[C@@H]2C=C1c3cccc4ncc(C[C@H]1N(C)C2)c34
http://www.opentox.org/api/1.1#ChemicalName
estradiol benzoate
http://www.opentox.org/api/1.1#SMILES
O=C(Oc3cc4CCC2C(CCC1(C)C2CCC1O)c4cc3)c5ccccc5
http://www.opentox.org/api/1.1#CASRN
50-27-1
http://www.opentox.org/api/1.1#ChemicalName
estriol
http://www.opentox.org/api/1.1#SMILES
Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@@H](O)[C@H](O)C[C@H]4[C@@H]2CC3)C
Oc3cc4CCC2C(CCC1(C)C2CC(O)C1O)c4cc3
Oc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2C[C@@H](O)[C@@H]1O)c4cc3
http://www.opentox.org/api/1.1#CASRN
57-63-6
http://www.opentox.org/api/1.1#ChemicalName
(17beta)-17-ethynylestra-1(10),2,4-triene-3,17-diol
ethinylestradiol
http://www.opentox.org/api/1.1#SMILES
CC34CCC1C(CCc2cc(O)ccc12)C3CCC4(O)C#C
Oc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3
http://www.opentox.org/api/1.1#ChemicalName
etodolac
http://www.opentox.org/api/1.1#SMILES
O=C(O)CC3(CC)OCCc2c3nc1c(cccc12)CC
http://www.opentox.org/api/1.1#CASRN
33419-42-0
http://www.opentox.org/api/1.1#ChemicalName
etoposide
etopside
http://www.opentox.org/api/1.1#SMILES
COc1cc(cc(OC)c1O)C5c2cc7OCOc7cc2C(OC3OC4COC(C)OC4C(O)C3O)C6COC(=O)C56
COc1cc(cc(OC)c1O)[C@@H]5c2cc7OCOc7cc2[C@@H](O[C@@H]3O[C@@H]4CO[C@@H](C)O[C@H]4[C@H](O)[C@H]3O)[C@H]6COC(=O)[C@H]56
http://www.opentox.org/api/1.1#ChemicalName
bromuconazole
http://www.opentox.org/api/1.1#SMILES
BrC2CC(Cn1cncn1)(OC2)c3ccc(Cl)cc3Cl
http://www.opentox.org/api/1.1#ChemicalName
galanthamine
http://www.opentox.org/api/1.1#SMILES
OC1C=CC42CCN(C)Cc3ccc(OC)c(OC2C1)c34
http://www.opentox.org/api/1.1#CASRN
126-07-8
http://www.opentox.org/api/1.1#ChemicalName
griseofulvin
http://www.opentox.org/api/1.1#SMILES
COC1=CC(=O)CC(C)C13Oc2c(Cl)c(OC)cc(OC)c2C3=O
C[C@@H]1CC(=O)C=C([C@]12C(=O)c3c(cc(c(c3O2)Cl)OC)OC)OC
http://www.opentox.org/api/1.1#ChemicalName
hexestrol
http://www.opentox.org/api/1.1#SMILES
Oc1ccc(cc1)C(CC)C(CC)c2ccc(O)cc2
http://www.opentox.org/api/1.1#ChemicalName
hydromorphone
http://www.opentox.org/api/1.1#SMILES
O=C1CCC3C2Cc5ccc(O)c4OC1C3(CCN2C)c45
O=C1CC[C@H]5[C@H]2Cc4ccc(O)c3O[C@@H]1[C@]5(CCN2C)c34
http://www.opentox.org/api/1.1#ChemicalName
alpha-benzylsuccinic acid
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)CC(CC(=O)O)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
levallorphan
levallorphan tartrate [jan]
http://www.opentox.org/api/1.1#SMILES
Oc2ccc3CC1C4CCCCC4(CCN1CC=C)c3c2
Oc3ccc4C[C@H]1N(CC[C@@]2(CCCC[C@@H]12)c4c3)CC=C
http://www.opentox.org/api/1.1#ChemicalName
pentamidine isethionate
http://www.opentox.org/api/1.1#SMILES
CN2C(CCCC2CC(O)c1ccccc1)CC(=O)c3ccccc3
http://www.opentox.org/api/1.1#ChemicalName
lycorine
http://www.opentox.org/api/1.1#SMILES
OC2C=C4CCN3Cc1cc5OCOc5cc1C(C2O)C34
http://www.opentox.org/api/1.1#ChemicalName
(8beta)-n,n-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide
lsd
http://www.opentox.org/api/1.1#SMILES
CCN(CC)C(=O)C4C=C1C(Cc2cnc3cccc1c23)N(C)C4
CCN(CC)C(=O)[C@@H]2C=C1c3cccc4ncc(C[C@H]1N(C)C2)c34
http://www.opentox.org/api/1.1#CASRN
72-33-3
http://www.opentox.org/api/1.1#ChemicalName
mestranol
http://www.opentox.org/api/1.1#SMILES
COc3cc4CCC2C(CCC1(C)C2CCC1(O)C#C)c4cc3
COc3cc4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@@]1(O)C#C)c4cc3
http://www.opentox.org/api/1.1#ChemicalName
methylergonovine
http://www.opentox.org/api/1.1#SMILES
CCC(CO)NC(=O)C4C=C1C(Cc2cnc3cccc1c23)N(C)C4
CC[C@@H](CO)NC(=O)[C@@H]2C=C1c3cccc4ncc(C[C@H]1N(C)C2)c34
http://www.opentox.org/api/1.1#ChemicalName
moperone
http://www.opentox.org/api/1.1#SMILES
Cc1ccc(cc1)C3(O)CCN(CCCC(=O)c2ccc(F)cc2)CC3
http://www.opentox.org/api/1.1#CASRN
57-27-2
http://www.opentox.org/api/1.1#ChemicalName
morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-m
morphine
http://www.opentox.org/api/1.1#SMILES
Oc1ccc2CC4[N@@](C)CC[C@@]35C(Oc1c23)[C@@H](O)C=C[C@@H]45
Oc1ccc2CC5N(C)CCC43C5C=CC(O)C4Oc1c23
http://www.opentox.org/api/1.1#CASRN
42200-33-9
http://www.opentox.org/api/1.1#ChemicalName
nadolol
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O
CC(C)(C)NCC(O)COc1cccc2CC(O)C(O)Cc12
CC(C)(C)NCC(O)COc2cccc1C[C@@H](O)[C@@H](O)Cc12
http://www.opentox.org/api/1.1#ChemicalName
nalorphine
http://www.opentox.org/api/1.1#SMILES
Oc1ccc2CC5N(CCC43C5C=CC(O)C4Oc1c23)CC=C
http://www.opentox.org/api/1.1#CASRN
500-38-9
http://www.opentox.org/api/1.1#ChemicalName
1,2-benzenediol, 4,4'-(2,3-dimethyl-1,4-butanedi
nordihydroguaiaretic acid
http://www.opentox.org/api/1.1#SMILES
C[C@H](Cc1ccc(c(c1)O)O)[C@@H](C)Cc2ccc(c(c2)O)O
Oc2ccc(CC(C)C(C)Cc1ccc(O)c(O)c1)cc2O
http://www.opentox.org/api/1.1#ChemicalName
oxycodone
http://www.opentox.org/api/1.1#SMILES
O=C1CCC5(O)C2Cc4ccc(OC)c3OC1C5(CCN2C)c34
O=C1CC[C@@]5(O)[C@H]2Cc4ccc(OC)c3O[C@@H]1[C@]5(CCN2C)c34
http://www.opentox.org/api/1.1#ChemicalName
oxymorphone
http://www.opentox.org/api/1.1#SMILES
O=C1CCC5(O)C2Cc4ccc(O)c3OC1C5(CCN2C)c34
O=C1CC[C@@]5(O)[C@H]2Cc4ccc(O)c3O[C@@H]1[C@]5(CCN2C)c34
http://www.opentox.org/api/1.1#CASRN
38363-41-6
http://www.opentox.org/api/1.1#ChemicalName
penbutolol
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)NCC(O)COc1ccccc1C2CCCC2
http://www.opentox.org/api/1.1#ChemicalName
pentazocine
http://www.opentox.org/api/1.1#SMILES
C/C(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C
C/C(C)=CCN2CCC1(C)c3cc(O)ccc3CC2C1C
http://www.opentox.org/api/1.1#ChemicalName
pergolide
http://www.opentox.org/api/1.1#SMILES
CSCC4CC1C(Cc2cnc3cccc1c23)N(C4)CCC
CSC[C@@H]1C[C@@H]2c3cccc4ncc(C[C@H]2N(C1)CCC)c34
http://www.opentox.org/api/1.1#CASRN
518-28-5
http://www.opentox.org/api/1.1#ChemicalName
picropodophyllin
podofilox
podophyllotoxin
http://www.opentox.org/api/1.1#SMILES
COc1cc(cc(OC)c1OC)C3C2C(=O)OCC2C(O)c4cc5OCOc5cc34
COc1cc(cc(OC)c1OC)[C@@H]3c2cc5OCOc5cc2[C@H](O)[C@H]4COC(=O)[C@H]34
COc1cc(cc(OC)c1OC)[C@H]3C2C(=O)OCC2[C@@H](O)c4cc5OCOc5cc34
http://www.opentox.org/api/1.1#ChemicalName
ramipril
http://www.opentox.org/api/1.1#SMILES
O=C(OCC)C(CCc1ccccc1)NC(C)C(=O)N3C(CC2CCCC23)C(=O)O
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
http://www.opentox.org/api/1.1#ChemicalName
sesamin
http://www.opentox.org/api/1.1#SMILES
C3OC(c1ccc2OCOc2c1)C4COC(C34)c5ccc6OCOc6c5
http://www.opentox.org/api/1.1#ChemicalName
syrosingopine
http://www.opentox.org/api/1.1#SMILES
O=C(OCC)Oc1c(OC)cc(cc1OC)C(=O)OC2CC3CN4CCc5c6ccc(OC)cc6nc5C4CC3C(C2OC)C(=O)OC
http://www.opentox.org/api/1.1#ChemicalName
teniposide
http://www.opentox.org/api/1.1#SMILES
COc1cc(cc(OC)c1O)C6c2cc8OCOc8cc2C(OC4OC3COC(OC3C(O)C4O)c5cccs5)C7COC(=O)C67
http://www.opentox.org/api/1.1#ChemicalName
tolciclate
http://www.opentox.org/api/1.1#SMILES
Cc1cc(ccc1)N(C)C(=S)Oc2ccc4c(c2)C3CCC4C3
http://www.opentox.org/api/1.1#ChemicalName
tramazoline
http://www.opentox.org/api/1.1#SMILES
C2CCCc3cccc(NC1=NCCN1)c23
http://www.opentox.org/api/1.1#ChemicalName
estrone
http://www.opentox.org/api/1.1#SMILES
O=C4[C@]3(CC[C@@H]2c1ccc(O)cc1CC[C@H]2[C@@H]3CC4)C
Oc3cc4CCC1[C@H](CCC2(C)C(=O)CC[C@@H]12)c4cc3
Oc3cc4CC[C@@H]1[C@H](CC[C@]2(C)C(=O)CC[C@@H]12)c4cc3
http://www.opentox.org/api/1.1#ChemicalName
(2'beta)-22-oxovincaleukoblastine
http://www.opentox.org/api/1.1#SMILES
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
http://www.opentox.org/api/1.1#ChemicalName
strychnidin-10-one
strychnine
http://www.opentox.org/api/1.1#SMILES
O=C2CC4OCC=C7CN5CC[C@]36c1ccccc1N2C3[C@H]4[C@H]7C[C@H]56
O=C2C[C@@H]7OCC=C6CN4CC[C@@]53c1ccccc1N2[C@H]3[C@H]7[C@H]6C[C@H]45
http://www.opentox.org/api/1.1#ChemicalName
l-tryptophan
http://www.opentox.org/api/1.1#SMILES
O=C(O)[C@@H](N)Cc2cnc1ccccc12
http://www.opentox.org/api/1.1#ChemicalName
bis[2-hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]methane
http://www.opentox.org/api/1.1#SMILES
Cc1cc(c(c(c1)C2(CCCCC2)C)O)Cc3cc(cc(c3O)C4(CCCCC4)C)C
http://www.opentox.org/api/1.1#CASRN
83-79-4
http://www.opentox.org/api/1.1#ChemicalName
(2r,6as,12as)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6ah)-one
http://www.opentox.org/api/1.1#SMILES
C=C(C)[C@@H]2Oc3ccc1C(=O)[C@H]4c5cc(OC)c(OC)cc5OC[C@H]4Oc1c3C2
http://www.opentox.org/api/1.1#ChemicalName
versalide
http://www.opentox.org/api/1.1#SMILES
CC(=O)c1cc2c(cc1CC)C(C)(C)CCC2(C)C
http://www.opentox.org/api/1.1#ChemicalName
p-dodecylaniline
http://www.opentox.org/api/1.1#SMILES
Nc1ccc(CCCCCCCCCCCC)cc1
http://www.opentox.org/api/1.1#ChemicalName
decylbenzene
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCCCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
ergotamine
http://www.opentox.org/api/1.1#SMILES
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
http://www.opentox.org/api/1.1#ChemicalName
1h-indole-3-ethanamine, .alpha.-ethyl-
http://www.opentox.org/api/1.1#SMILES
CCC(N)Cc2cnc1ccccc12
http://www.opentox.org/api/1.1#ChemicalName
deserpidine
http://www.opentox.org/api/1.1#SMILES
COc1cc(cc(OC)c1OC)C(=O)OC2CC3CN4CCc5c6ccccc6nc5C4CC3C(C2OC)C(=O)OC
COc1cc(cc(OC)c1OC)C(=O)O[C@@H]3C[C@@H]4CN5CCc2c6ccccc6nc2[C@H]5C[C@@H]4[C@H](C(=O)OC)[C@H]3OC
http://www.opentox.org/api/1.1#ChemicalName
phenol, 2,4-dinonyl-
http://www.opentox.org/api/1.1#SMILES
Oc1ccc(cc1CCCCCCCCC)CCCCCCCCC
http://www.opentox.org/api/1.1#ChemicalName
yohimbine
http://www.opentox.org/api/1.1#SMILES
O=C(OC)[C@H]2[C@@H](O)CC[C@H]3CN4CCc1c5ccccc5nc1[C@@H]4C[C@H]23
http://www.opentox.org/api/1.1#ChemicalName
acenocoumarol
http://www.opentox.org/api/1.1#SMILES
[O-][N+](=O)c1ccc(cc1)C(CC(C)=O)C=2C(=O)c3ccccc3OC=2O
http://www.opentox.org/api/1.1#ChemicalName
indopan
http://www.opentox.org/api/1.1#SMILES
CC(N)Cc2cnc1ccccc12
http://www.opentox.org/api/1.1#CASRN
316-42-7
http://www.opentox.org/api/1.1#ChemicalName
6',7',10,11-tetramethoxyemetan
http://www.opentox.org/api/1.1#SMILES
COc4cc5CCNC(CC1CC2c3cc(OC)c(OC)cc3CCN2CC1CC)c5cc4OC
http://www.opentox.org/api/1.1#ChemicalName
phenprocoumon
http://www.opentox.org/api/1.1#SMILES
O=C1c3ccccc3OC(O)=C1C(CC)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
phenadoxone
http://www.opentox.org/api/1.1#SMILES
CCC(=O)C(CC(C)N1CCOCC1)(c2ccccc2)c3ccccc3
http://www.opentox.org/api/1.1#ChemicalName
propoxyphene
http://www.opentox.org/api/1.1#SMILES
CCC(=O)OC(Cc1ccccc1)(C(C)CN(C)C)c2ccccc2
CN(C)C[C@@H](C)[C@@](OC(=O)CC)(Cc1ccccc1)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
ketobemidone
http://www.opentox.org/api/1.1#SMILES
CCC(=O)C1(CCN(C)CC1)c2cccc(O)c2
http://www.opentox.org/api/1.1#ChemicalName
chelidonine
http://www.opentox.org/api/1.1#SMILES
OC3Cc5cc6OCOc6cc5C2N(C)Cc1c4OCOc4ccc1C23
http://www.opentox.org/api/1.1#ChemicalName
colchiceine
http://www.opentox.org/api/1.1#SMILES
CC(=O)NC2CCc3cc(OC)c(OC)c(OC)c3C1=CC=C(O)C(=O)C=C12
http://www.opentox.org/api/1.1#ChemicalName
2-methoxystrychnine
http://www.opentox.org/api/1.1#SMILES
COc1cc2c(cc1)N5C(=O)CC4OCC=C3CN7CCC26C7CC3C4C56
http://www.opentox.org/api/1.1#ChemicalName
equilenin
http://www.opentox.org/api/1.1#SMILES
Oc1ccc2c3CCC4(C)C(=O)CCC4c3ccc2c1
http://www.opentox.org/api/1.1#ChemicalName
cyclocumarol
http://www.opentox.org/api/1.1#SMILES
O=C2Oc1ccccc1C=3OC(C)(CC(C2=3)c4ccccc4)OC
http://www.opentox.org/api/1.1#ChemicalName
florantyrone
http://www.opentox.org/api/1.1#SMILES
O=C(O)CCC(=O)c3ccc4c2cccc1cccc(c12)c4c3
http://www.opentox.org/api/1.1#ChemicalName
2-naphthalenol, 1,2,3,4-tetrahydro-
http://www.opentox.org/api/1.1#SMILES
OC1Cc2ccccc2CC1
http://www.opentox.org/api/1.1#ChemicalName
n-pentylbenzene
http://www.opentox.org/api/1.1#SMILES
CCCCCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
coumithoate
http://www.opentox.org/api/1.1#SMILES
CCOP(=S)(OCC)Oc2ccc3C=1CCCCC=1C(=O)Oc3c2
http://www.opentox.org/api/1.1#ChemicalName
dihydroequilin
http://www.opentox.org/api/1.1#SMILES
Oc3cc4CC=C2C(CCC1(C)C2CCC1O)c4cc3
http://www.opentox.org/api/1.1#ChemicalName
1-phenylcyclohexene
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)C2=CCCCC2
http://www.opentox.org/api/1.1#ChemicalName
aceperone
http://www.opentox.org/api/1.1#SMILES
Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)(CNC(C)=O)c3ccccc3
http://www.opentox.org/api/1.1#ChemicalName
cyclohexylbenzene
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)C2CCCCC2
http://www.opentox.org/api/1.1#ChemicalName
2(3h)-furanone, 4,5-dihydro-5-phenyl-
http://www.opentox.org/api/1.1#SMILES
O=C1CCC(O1)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
naphthalene, 1,2,3,4-tetrahydro-6,7-dimethyl-
http://www.opentox.org/api/1.1#SMILES
Cc1cc2CCCCc2cc1C
http://www.opentox.org/api/1.1#ChemicalName
hexylbenzene
http://www.opentox.org/api/1.1#SMILES
CCCCCCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
6-methoxy-1-tetralone
http://www.opentox.org/api/1.1#SMILES
COc1ccc2c(c1)CCCC2=O
http://www.opentox.org/api/1.1#ChemicalName
n-heptylbenzene
http://www.opentox.org/api/1.1#SMILES
CCCCCCCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
nonylbenzene
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
5,6,7,8-tetrahydro-2-naphthol
http://www.opentox.org/api/1.1#SMILES
c1cc2c(cc1O)CCCC2
http://www.opentox.org/api/1.1#ChemicalName
p-cyclohexylphenol
http://www.opentox.org/api/1.1#SMILES
Oc1ccc(cc1)C2CCCCC2
http://www.opentox.org/api/1.1#ChemicalName
naphthalene, 2-butyl-
http://www.opentox.org/api/1.1#SMILES
CCCCc1ccc2ccccc2c1
http://www.opentox.org/api/1.1#ChemicalName
phenazocine
http://www.opentox.org/api/1.1#SMILES
Oc3ccc4CC2C(C)C(C)(CCN2CCc1ccccc1)c4c3
http://www.opentox.org/api/1.1#ChemicalName
tylocrebrine
http://www.opentox.org/api/1.1#SMILES
COc3ccc2c1CN5CCCC5Cc1c4cc(OC)c(OC)cc4c2c3OC
http://www.opentox.org/api/1.1#ChemicalName
2h-1-benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethy
http://www.opentox.org/api/1.1#SMILES
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2cc(O)c(C)c(C)c2O1
http://www.opentox.org/api/1.1#ChemicalName
(1s)-1,5-anhydro-1-[(9r)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-d-glucitol
http://www.opentox.org/api/1.1#SMILES
O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)[C@@H]4c2cccc(O)c2C(=O)c3c(O)cc(CO)cc34
http://www.opentox.org/api/1.1#ChemicalName
n-hexadecylbenzene
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCCCCCCCCCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
n-tetradecylbenzene
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCCCCCCCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
4-cyclopentylphenol
http://www.opentox.org/api/1.1#SMILES
Oc1ccc(cc1)C2CCCC2
http://www.opentox.org/api/1.1#ChemicalName
1-phenylcyclohexanol
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)C2(CCCCC2)O
http://www.opentox.org/api/1.1#ChemicalName
naphthalene, 1-butyl-
http://www.opentox.org/api/1.1#SMILES
CCCCc2cccc1ccccc12
http://www.opentox.org/api/1.1#ChemicalName
naphthalene, 1,2,3,4-tetrahydro-6-methyl-
http://www.opentox.org/api/1.1#SMILES
Cc1ccc2CCCCc2c1
http://www.opentox.org/api/1.1#ChemicalName
pentylbenzene
http://www.opentox.org/api/1.1#SMILES
CC(C)CCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
1-phenylpentadecane
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCCCCCCCCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
n-octylbenzene
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
1-naphthalenamine, 5,6,7,8-tetrahydro-
http://www.opentox.org/api/1.1#SMILES
Nc2cccc1CCCCc12
http://www.opentox.org/api/1.1#ChemicalName
9-phenyleicosane
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCC(CCCCCCCCCCC)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
2-phenyleicosane
http://www.opentox.org/api/1.1#SMILES
CC(CCCCCCCCCCCCCCCCCC)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
1-phenyleicosane
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCCCCCCCCCCCCCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
3-phenyleicosane
http://www.opentox.org/api/1.1#SMILES
CCC(CCCCCCCCCCCCCCCCC)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
4-phenyleicosane
http://www.opentox.org/api/1.1#SMILES
CCCC(CCCCCCCCCCCCCCCC)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
5-phenyleicosane
http://www.opentox.org/api/1.1#SMILES
CCCCC(CCCCCCCCCCCCCCC)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
s-amylbenzene
http://www.opentox.org/api/1.1#SMILES
CC(CCC)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
naphthalene, 1,2,3,4-tetrahydro-5-methyl-
http://www.opentox.org/api/1.1#SMILES
Cc2cccc1CCCCc12
http://www.opentox.org/api/1.1#ChemicalName
estramustine
http://www.opentox.org/api/1.1#SMILES
ClCCN(CCCl)C(=O)Oc3cc4CCC2C(CCC1(C)C2CCC1O)c4cc3
http://www.opentox.org/api/1.1#ChemicalName
2-butylphenol
http://www.opentox.org/api/1.1#SMILES
Oc1ccccc1CCCC
http://www.opentox.org/api/1.1#ChemicalName
cyclazocine
http://www.opentox.org/api/1.1#SMILES
Oc3ccc4CC2C(C)C(C)(CCN2CC1CC1)c4c3
http://www.opentox.org/api/1.1#ChemicalName
4-n-octylbenzoic acid
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCc1ccc(cc1)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
4-chloro-4'-fluorobutyrophenone
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1C(=O)CCCCl)F
http://www.opentox.org/api/1.1#ChemicalName
naphthalene, 1,2,3,4-tetrahydro-2-methyl-
http://www.opentox.org/api/1.1#SMILES
CC1Cc2ccccc2CC1
http://www.opentox.org/api/1.1#ChemicalName
1,3,3-trimethyl-1-phenylindan
http://www.opentox.org/api/1.1#SMILES
CC1(C)CC(C)(c2ccccc21)c1ccccc1
http://www.opentox.org/api/1.1#CASRN
4914-30-1
http://www.opentox.org/api/1.1#ChemicalName
dehydroemetine
http://www.opentox.org/api/1.1#SMILES
COc4cc5CCN[C@H](CC=1C[C@H]2c3cc(OC)c(OC)cc3CCN2CC=1CC)c5cc4OC
http://www.opentox.org/api/1.1#ChemicalName
3-pentanone, 1,5-diphenyl-
http://www.opentox.org/api/1.1#SMILES
O=C(CCc1ccccc1)CCc2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
a-(a-aminopropyl)benzyl alcohol
http://www.opentox.org/api/1.1#SMILES
OC(C(N)CC)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
aminopentamide
http://www.opentox.org/api/1.1#SMILES
NC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2
http://www.opentox.org/api/1.1#CASRN
7220-81-7
http://www.opentox.org/api/1.1#ChemicalName
aflatoxin b2
http://www.opentox.org/api/1.1#SMILES
O=C2Oc1c4C5CCOC5Oc4cc(OC)c1C=3CCC(=O)C2=3
http://www.opentox.org/api/1.1#ChemicalName
tetrazepam
http://www.opentox.org/api/1.1#SMILES
Clc1ccc2c(c1)C(=NCC(=O)N2C)C3=CCCCC3
http://www.opentox.org/api/1.1#ChemicalName
2-dodecylbenzenesulfonic acid
http://www.opentox.org/api/1.1#SMILES
OS(=O)(=O)c1ccccc1CCCCCCCCCCCC
http://www.opentox.org/api/1.1#ChemicalName
etorphine
http://www.opentox.org/api/1.1#SMILES
CC(O)(CCC)C1CC65C=CC1(OC)C2Oc4c(O)ccc3CC6N(C)CCC25c34
CC(O)(CCC)C1C[C@]65C=CC1(OC)C2Oc4c(O)ccc3C[C@H]6N(C)CC[C@]25c34
http://www.opentox.org/api/1.1#ChemicalName
4-n-pentylphenol
http://www.opentox.org/api/1.1#SMILES
CCCCCc1ccc(cc1)O
http://www.opentox.org/api/1.1#ChemicalName
4-phenylpentanoic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)CCC(C)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
dimepheptanol
http://www.opentox.org/api/1.1#SMILES
OC(CC)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
naphthalene, 1,2,3,4-tetrahydro-2,3-dimethyl-
http://www.opentox.org/api/1.1#SMILES
CC1Cc2ccccc2CC1C
http://www.opentox.org/api/1.1#ChemicalName
3-amino-1-phenylbutane
http://www.opentox.org/api/1.1#SMILES
CC(CCc1ccccc1)N
c1ccccc1CCC(N)C
http://www.opentox.org/api/1.1#ChemicalName
naphthalene, 6-ethyl-1,2,3,4-tetrahydro-
http://www.opentox.org/api/1.1#SMILES
CCc1ccc2CCCCc2c1
http://www.opentox.org/api/1.1#ChemicalName
n-tridecylbenzene
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCCCCCCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
4-benzylpiperidine
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)CC2CCNCC2
http://www.opentox.org/api/1.1#ChemicalName
tramadol
http://www.opentox.org/api/1.1#SMILES
O[C@@]1(CCCC[C@@H]1CN(C)C)c2cc(OC)ccc2
http://www.opentox.org/api/1.1#ChemicalName
cyclobendazole
http://www.opentox.org/api/1.1#SMILES
O=C(OC)Nc1nc2cc(ccc2n1)C(=O)C3CC3
http://www.opentox.org/api/1.1#ChemicalName
naphthalene, 2-ethyl-1,2,3,4-tetrahydro-
http://www.opentox.org/api/1.1#SMILES
CCC1Cc2ccccc2CC1
http://www.opentox.org/api/1.1#ChemicalName
levobunolol
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)NC[C@H](O)COc2cccc1c2CCCC1=O
http://www.opentox.org/api/1.1#ChemicalName
trolox c
http://www.opentox.org/api/1.1#SMILES
O=C(O)C1(C)CCc2c(O1)c(C)c(C)c(O)c2C
http://www.opentox.org/api/1.1#ChemicalName
vindesine
http://www.opentox.org/api/1.1#SMILES
O=C(OC)C2(CC4CC(O)(CC)CN(CCc1c3ccccc3nc12)C4)c5cc9c(cc5OC)N(C)C8C97CCN6CC=CC(CC)(C67)C(O)C8(O)C(N)=O
O=C(OC)[C@@]2(C[C@H]4C[C@@](O)(CC)CN(CCc1c3ccccc3nc12)C4)c5cc9c(cc5OC)N(C)[C@@H]8[C@]97CCN6CC=C[C@](CC)([C@H]67)[C@@H](O)[C@]8(O)C(N)=O
http://www.opentox.org/api/1.1#ChemicalName
valrubicin
http://www.opentox.org/api/1.1#SMILES
CCCCC(=O)OCC(=O)C4(O)CC(OC1CC(NC(=O)C(F)(F)F)C(O)C(C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4
CCCCC(=O)OCC(=O)[C@@]4(O)C[C@H](OC1CC(NC(=O)C(F)(F)F)C(O)C(C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4
http://www.opentox.org/api/1.1#ChemicalName
n-(4-octanoylphenyl)acetamide
http://www.opentox.org/api/1.1#SMILES
O=C(Nc1ccc(cc1)C(=O)CCCCCCC)C
http://www.opentox.org/api/1.1#ChemicalName
4-(4-methylphenyl)pentanoic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)CCC(C)c1ccc(C)cc1
http://www.opentox.org/api/1.1#ChemicalName
fenapanil
http://www.opentox.org/api/1.1#SMILES
N#CC(CCCC)(Cn1ccnc1)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
diclobutrazol isomers
http://www.opentox.org/api/1.1#SMILES
OC(C(Cc1ccc(Cl)cc1Cl)n2cncn2)C(C)(C)C
http://www.opentox.org/api/1.1#ChemicalName
cabergoline
http://www.opentox.org/api/1.1#SMILES
CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4ncc(C[C@H]2N(C1)CC=C)c34
http://www.opentox.org/api/1.1#ChemicalName
naphthalene, 5-ethyl-1,2,3,4-tetrahydro-
http://www.opentox.org/api/1.1#SMILES
CCc2cccc1CCCCc12
http://www.opentox.org/api/1.1#ChemicalName
quinapril
http://www.opentox.org/api/1.1#SMILES
O=C(OCC)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
mifepristone
http://www.opentox.org/api/1.1#SMILES
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
http://www.opentox.org/api/1.1#ChemicalName
fosinopril
http://www.opentox.org/api/1.1#SMILES
O=C(CP(=O)(CCCCc1ccccc1)OC(OC(=O)CC)C(C)C)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3
http://www.opentox.org/api/1.1#ChemicalName
fadrozole
http://www.opentox.org/api/1.1#SMILES
N#Cc1ccc(cc1)C2CCCc3cncn23
http://www.opentox.org/api/1.1#ChemicalName
saquinavir
http://www.opentox.org/api/1.1#SMILES
NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN4CC5CCCCC5C[C@H]4C(=O)NC(C)(C)C
http://www.opentox.org/api/1.1#ChemicalName
metazocine
http://www.opentox.org/api/1.1#SMILES
Oc2ccc3CC1C(C)C(C)(CCN1C)c3c2
http://www.opentox.org/api/1.1#ChemicalName
diphemethoxidine
http://www.opentox.org/api/1.1#SMILES
OCCN1CCCCC1C(c2ccccc2)c3ccccc3
http://www.opentox.org/api/1.1#CASRN
84-24-2
http://www.opentox.org/api/1.1#ChemicalName
physodic acid
http://www.opentox.org/api/1.1#SMILES
CCCCCC(=O)Cc3cc(O)cc2Oc1c(cc(O)c(C(=O)O)c1CCCCC)OC(=O)c23
http://www.opentox.org/api/1.1#ChemicalName
repaglinide
http://www.opentox.org/api/1.1#SMILES
O=C(O)c1ccc(cc1OCC)CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3
http://www.opentox.org/api/1.1#ChemicalName
4-butyrylphenol
http://www.opentox.org/api/1.1#SMILES
O=C(CCC)c1ccc(O)cc1
http://www.opentox.org/api/1.1#ChemicalName
valerophenone
http://www.opentox.org/api/1.1#SMILES
CCCCC(=O)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
1-phenylcyclopentanecarboxylic acid
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)C2(CCCC2)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
1,2,3,4,5,6,7,8-octahydro-anthracene
http://www.opentox.org/api/1.1#SMILES
C1CCCc2cc3CCCCc3cc12
http://www.opentox.org/api/1.1#ChemicalName
benzene, 1,1'-(1,4-butanediyl)bis-
http://www.opentox.org/api/1.1#SMILES
C(CCc1ccccc1)Cc2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
hexaconazole
http://www.opentox.org/api/1.1#SMILES
OC(CCCC)(Cn1cncn1)c2ccc(Cl)cc2Cl
http://www.opentox.org/api/1.1#ChemicalName
3-(3-fluoro-4-methoxybenzoyl)propionic acid
http://www.opentox.org/api/1.1#SMILES
COc1ccc(cc1F)C(=O)CCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
1,2-benzenediol, 3-pentadecyl-
http://www.opentox.org/api/1.1#SMILES
Oc1c(CCCCCCCCCCCCCCC)cccc1O
http://www.opentox.org/api/1.1#ChemicalName
phenol, 3-pentadecyl-
http://www.opentox.org/api/1.1#SMILES
Oc1cc(CCCCCCCCCCCCCCC)ccc1
http://www.opentox.org/api/1.1#ChemicalName
5,6,7,8-tetrahydro-1-naphthol
http://www.opentox.org/api/1.1#SMILES
c1cc2c(c(c1)O)CCCC2
http://www.opentox.org/api/1.1#ChemicalName
2-tetralone
http://www.opentox.org/api/1.1#SMILES
c1ccc2c(c1)CCC(=O)C2
http://www.opentox.org/api/1.1#ChemicalName
1,3-benzenediol, 4-pentyl-
http://www.opentox.org/api/1.1#SMILES
Oc1cc(O)ccc1CCCCC
http://www.opentox.org/api/1.1#ChemicalName
4'-fluorobutyrophenone
http://www.opentox.org/api/1.1#SMILES
CCCC(=O)c1ccc(cc1)F
http://www.opentox.org/api/1.1#ChemicalName
4-(4-fluorophenyl)butyric acid
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1CCCC(=O)O)F
http://www.opentox.org/api/1.1#ChemicalName
sertraline
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(cc1Cl)[C@@H]3CC[C@H](NC)c2ccccc23
http://www.opentox.org/api/1.1#ChemicalName
4'-fluorovalerophenone
http://www.opentox.org/api/1.1#SMILES
CCCCC(=O)c1ccc(cc1)F
http://www.opentox.org/api/1.1#ChemicalName
1,1-diphenylbutane
http://www.opentox.org/api/1.1#SMILES
CCCC(c1ccccc1)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
1,2,3,4-tetrahydronaphthalene hydroperoxide
http://www.opentox.org/api/1.1#SMILES
OOC2CCCc1ccccc12
http://www.opentox.org/api/1.1#ChemicalName
1-(2-naphthoyl)-3,3,3-trifluoroacetone
http://www.opentox.org/api/1.1#SMILES
c1ccc2cc(ccc2c1)C(=O)CC(=O)C(F)(F)F
http://www.opentox.org/api/1.1#ChemicalName
4'-chlorobutyrophenone
http://www.opentox.org/api/1.1#SMILES
CCCC(=O)c1ccc(cc1)Cl
http://www.opentox.org/api/1.1#ChemicalName
1-hexanone, 1-phenyl-
http://www.opentox.org/api/1.1#SMILES
O=C(CCCCC)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
1,4-dicyclohexylbenzene
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1C2CCCCC2)C3CCCCC3
http://www.opentox.org/api/1.1#ChemicalName
5,6,7,8-tetrahydro-naphthalene-2-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)c1ccc2CCCCc2c1
http://www.opentox.org/api/1.1#ChemicalName
4-n-butylbenzaldehyde
http://www.opentox.org/api/1.1#SMILES
CCCCc1ccc(cc1)C=O
http://www.opentox.org/api/1.1#ChemicalName
3-indolylacetone
http://www.opentox.org/api/1.1#SMILES
CC(=O)Cc2cnc1ccccc12
http://www.opentox.org/api/1.1#ChemicalName
adrenoglomerulotropin
http://www.opentox.org/api/1.1#SMILES
CC2NCCc1c3cc(OC)ccc3nc12
http://www.opentox.org/api/1.1#ChemicalName
fencibutirol
http://www.opentox.org/api/1.1#SMILES
OC1(CCC(CC1)c2ccccc2)C(CC)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
ibafloxacin
http://www.opentox.org/api/1.1#SMILES
c1(c(c3c2c(c1)C(=O)C(=CN2C(CC3)C)C(=O)O)C)F
http://www.opentox.org/api/1.1#ChemicalName
methestrol
http://www.opentox.org/api/1.1#SMILES
Cc1cc(ccc1O)C(CC)C(CC)c2ccc(O)c(C)c2
http://www.opentox.org/api/1.1#ChemicalName
tetrantoin
http://www.opentox.org/api/1.1#SMILES
O=C3NC(=O)NC13Cc2ccccc2CC1
http://www.opentox.org/api/1.1#ChemicalName
bufeniode
http://www.opentox.org/api/1.1#SMILES
Ic1cc(cc(I)c1O)C(O)C(C)NC(C)CCc2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
3-benzoylpropionic acid
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)C(=O)CCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
1h-pyrrole, 2-phenyl-
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)c2cccn2
http://www.opentox.org/api/1.1#ChemicalName
4-benzoylbutyric acid
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)C(=O)CCCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
4-methylphenyl butyl ketone
http://www.opentox.org/api/1.1#SMILES
Cc1ccc(cc1)C(=O)CCCC
http://www.opentox.org/api/1.1#ChemicalName
1-octanone, 1-phenyl-
http://www.opentox.org/api/1.1#SMILES
O=C(CCCCCCC)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
1-dodecanone, 1-phenyl-
http://www.opentox.org/api/1.1#SMILES
O=C(CCCCCCCCCCC)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
benzenebutanoic acid, 2-methyl-4-oxo-4-
http://www.opentox.org/api/1.1#SMILES
O=C(CC(C)C(=O)O)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
6-methoxy-2-tetralone
http://www.opentox.org/api/1.1#SMILES
COc1ccc2c(c1)CCC(=O)C2
http://www.opentox.org/api/1.1#ChemicalName
2-hydroxyphenyl propyl ketone
http://www.opentox.org/api/1.1#SMILES
O=C(CCC)c1ccccc1O
http://www.opentox.org/api/1.1#ChemicalName
2,4-dihydroxy pentyl ketone
http://www.opentox.org/api/1.1#SMILES
O=C(CCCCC)c1ccc(O)cc1O
http://www.opentox.org/api/1.1#ChemicalName
3-(4-methoxybenzoyl)propionic acid
http://www.opentox.org/api/1.1#SMILES
COc1ccc(cc1)C(=O)CCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
1,6-diphenylhexane-1,6-dione
http://www.opentox.org/api/1.1#SMILES
O=C(CCCCC(=O)c1ccccc1)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
1-pyrenebutyric acid
http://www.opentox.org/api/1.1#SMILES
c1cc2ccc3ccc(c4c3c2c(c1)cc4)CCCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
cyclopropyl phenyl ketone
http://www.opentox.org/api/1.1#SMILES
O=C(c1ccccc1)C2CC2
http://www.opentox.org/api/1.1#ChemicalName
n-(4-butylphenyl)acetamide
http://www.opentox.org/api/1.1#SMILES
O=C(Nc1ccc(cc1)CCCC)C
http://www.opentox.org/api/1.1#ChemicalName
2-cyclopenten-1-one, 3-phenyl-
http://www.opentox.org/api/1.1#SMILES
O=C1C=C(CC1)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
3-(4-chlorobenzoyl)propionic acid
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1C(=O)CCC(=O)O)Cl
http://www.opentox.org/api/1.1#ChemicalName
1-p-tolyl-butan-1-one
http://www.opentox.org/api/1.1#SMILES
Cc1ccc(cc1)C(=O)CCC
http://www.opentox.org/api/1.1#ChemicalName
benzene, octadecyl-
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCCCCCCCCCCCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
truxillic acid
http://www.opentox.org/api/1.1#SMILES
OC(=O)C2C(C(C2c1ccccc1)C(=O)O)c3ccccc3
http://www.opentox.org/api/1.1#ChemicalName
4-(p-tolyl)butyric acid
http://www.opentox.org/api/1.1#SMILES
Cc1ccc(cc1)CCCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
4-(4-methoxyphenyl)butanoic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)CCCc1ccc(OC)cc1
http://www.opentox.org/api/1.1#ChemicalName
4'-bromo-4-chlorobutyrophenone
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1C(=O)CCCCl)Br
http://www.opentox.org/api/1.1#ChemicalName
4-phenylcyclohexanone
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)C2CCC(=O)CC2
http://www.opentox.org/api/1.1#ChemicalName
phenanthrene, 1,2,3,4,5,6,7,8-octahydro-
http://www.opentox.org/api/1.1#SMILES
c2cc1CCCCc1c3CCCCc23
http://www.opentox.org/api/1.1#ChemicalName
1,4-diphenyl-1-butanone
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)CCCC(=O)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
1-cyclohexyl-4-nitro-benzene
http://www.opentox.org/api/1.1#SMILES
[O-][N+](=O)c1ccc(cc1)C2CCCCC2
http://www.opentox.org/api/1.1#ChemicalName
6-phenylhexanoic acid
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)CCCCCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
cyclopropyldiphenylmethanol
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)C(c2ccccc2)(C3CC3)O
http://www.opentox.org/api/1.1#ChemicalName
2-cyclopentylphenol
http://www.opentox.org/api/1.1#SMILES
Oc1ccccc1C2CCCC2
http://www.opentox.org/api/1.1#ChemicalName
3-(4-bromobenzoyl)propionic acid
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1C(=O)CCC(=O)O)Br
http://www.opentox.org/api/1.1#ChemicalName
4-cyclohexylaniline
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1C2CCCCC2)N
http://www.opentox.org/api/1.1#ChemicalName
4-chlorophenyl cyclopropyl ketone
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1C(=O)C2CC2)Cl
http://www.opentox.org/api/1.1#ChemicalName
hexadecanophenone
http://www.opentox.org/api/1.1#SMILES
O=C(CCCCCCCCCCCCCCC)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
2-butyl-4-methyl-phenol
http://www.opentox.org/api/1.1#SMILES
Oc1ccc(C)cc1CCCC
http://www.opentox.org/api/1.1#ChemicalName
4-n-pentylbiphenyl
http://www.opentox.org/api/1.1#SMILES
CCCCCc1ccc(cc1)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
4-chloro-4'-hydroxybutyrophenone
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1C(=O)CCCCl)O
http://www.opentox.org/api/1.1#ChemicalName
cyclopropyl 4-methoxyphenyl ketone
http://www.opentox.org/api/1.1#SMILES
COc1ccc(cc1)C(=O)C2CC2
http://www.opentox.org/api/1.1#ChemicalName
4'-bromovalerophenone
http://www.opentox.org/api/1.1#SMILES
CCCCC(=O)c1ccc(cc1)Br
http://www.opentox.org/api/1.1#ChemicalName
benzene, heptadecyl-
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCCCCCCCCCCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
2-phenyl-cycloheptanone
http://www.opentox.org/api/1.1#SMILES
O=C2CCCCCC2c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
fenpentadiol
http://www.opentox.org/api/1.1#SMILES
OC(C)(CC(C)(C)O)c1ccc(Cl)cc1
http://www.opentox.org/api/1.1#ChemicalName
tebuconazole
http://www.opentox.org/api/1.1#SMILES
OC(Cn1cncn1)(CCc2ccc(Cl)cc2)C(C)(C)C
http://www.opentox.org/api/1.1#ChemicalName
cyproconazole
http://www.opentox.org/api/1.1#SMILES
OC(Cn1cncn1)(C(C)C2CC2)c3ccc(Cl)cc3
http://www.opentox.org/api/1.1#ChemicalName
fenbuconazole
http://www.opentox.org/api/1.1#SMILES
Clc3ccc(CCC(Cn1cncn1)(C#N)c2ccccc2)cc3
http://www.opentox.org/api/1.1#ChemicalName
metconazole
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(cc1)CC3CCC(C)(C)C3(O)Cn2cncn2
http://www.opentox.org/api/1.1#ChemicalName
ipconazole
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(cc1)CC3CCC(C(C)C)C3(O)Cn2cncn2
http://www.opentox.org/api/1.1#ChemicalName
2-acetyl-3,4-dihydro-2h-naphthalen-1-one
http://www.opentox.org/api/1.1#SMILES
CC(=O)C1CCc2ccccc2C1=O
http://www.opentox.org/api/1.1#ChemicalName
4'-cyclohexylacetophenone
http://www.opentox.org/api/1.1#SMILES
CC(=O)c1ccc(cc1)C2CCCCC2
http://www.opentox.org/api/1.1#ChemicalName
4-cyclohexylbenzoic acid
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1C2CCCCC2)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
4-n-butylbenzoic acid
http://www.opentox.org/api/1.1#SMILES
CCCCc1ccc(cc1)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
4'-chlorovalerophenone
http://www.opentox.org/api/1.1#SMILES
CCCCC(=O)c1ccc(cc1)Cl
http://www.opentox.org/api/1.1#ChemicalName
6-gingerol
http://www.opentox.org/api/1.1#SMILES
Oc1cc(ccc1OC)CCC(=O)CC(O)CCCCC
http://www.opentox.org/api/1.1#ChemicalName
4-cyano-4-phenylcyclohexanone
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)C2(CCC(=O)CC2)C#N
http://www.opentox.org/api/1.1#ChemicalName
penconazole
http://www.opentox.org/api/1.1#SMILES
Clc2ccc(C(CCC)Cn1cncn1)c(Cl)c2
http://www.opentox.org/api/1.1#CASRN
99105-77-8
http://www.opentox.org/api/1.1#ChemicalName
icia0051 (sulcotrione)
http://www.opentox.org/api/1.1#SMILES
CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl
O=C2CCCC(=O)C2C(=O)c1ccc(cc1Cl)S(C)(=O)=O
http://www.opentox.org/api/1.1#ChemicalName
4-cyano-4-(4-fluorophenyl)cyclohexanone
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1C2(CCC(=O)CC2)C#N)F
http://www.opentox.org/api/1.1#ChemicalName
4-n-decylaniline
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCCCc1ccc(cc1)N
http://www.opentox.org/api/1.1#ChemicalName
4-cyano-4'-n-pentylbiphenyl
http://www.opentox.org/api/1.1#SMILES
CCCCCc1ccc(cc1)c2ccc(cc2)C#N
http://www.opentox.org/api/1.1#ChemicalName
phenglutarimide
http://www.opentox.org/api/1.1#SMILES
O=C1NC(=O)CC(C1CCN(CC)CC)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
quebrachamine
http://www.opentox.org/api/1.1#SMILES
CC[C@@]23CCc4nc1ccccc1c4CCN(C2)CCC3
http://www.opentox.org/api/1.1#ChemicalName
bucloxic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)CCC(=O)c1cc(Cl)c(cc1)C2CCCCC2
http://www.opentox.org/api/1.1#ChemicalName
benzene, nonadecyl-
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCCCCCCCCCCCCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
alpha-cyclohexylphenylacetonitrile
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)C(C#N)C2CCCCC2
http://www.opentox.org/api/1.1#ChemicalName
tryptazan
http://www.opentox.org/api/1.1#SMILES
O=C(O)C(N)Cc2nnc1ccccc12
http://www.opentox.org/api/1.1#ChemicalName
1,2,4-triphenyl-1,4-butanedione
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)C(CC(=O)c2ccccc2)C(=O)c3ccccc3
http://www.opentox.org/api/1.1#ChemicalName
2-phenylcyclohexanone
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)C2CCCCC2=O
http://www.opentox.org/api/1.1#ChemicalName
3-phenyl-dihydro-pyran-2,6-dione
http://www.opentox.org/api/1.1#SMILES
O=C2OC(=O)CCC2c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
4-chloro-4'-methoxybutyrophenone
http://www.opentox.org/api/1.1#SMILES
COc1ccc(cc1)C(=O)CCCCl
http://www.opentox.org/api/1.1#ChemicalName
lunacrine
http://www.opentox.org/api/1.1#SMILES
CC(C)C1CC3=C(O1)N(C)c2c(cccc2OC)C3=O
http://www.opentox.org/api/1.1#ChemicalName
4-(4-hydroxybutyl)anisole
http://www.opentox.org/api/1.1#SMILES
COc1ccc(CCCCO)cc1
http://www.opentox.org/api/1.1#ChemicalName
p-(2,2,4-trimethyl-4-chromanyl)phenol
http://www.opentox.org/api/1.1#SMILES
Oc1ccc(cc1)C1(C)CC(Oc2ccccc21)(C)C
http://www.opentox.org/api/1.1#ChemicalName
4-benzyl-4-hydroxypiperidine
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)CC2(CCNCC2)O
http://www.opentox.org/api/1.1#ChemicalName
1-(4-methoxyphenyl)-1-cyclohexanecarbonitrile
http://www.opentox.org/api/1.1#SMILES
COc1ccc(cc1)C2(CCCCC2)C#N
http://www.opentox.org/api/1.1#ChemicalName
2-benzylcyclohexanone
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)CC2CCCCC2=O
http://www.opentox.org/api/1.1#ChemicalName
(1r)-3-oxoindane-1-carboxylic acid
3-oxoindane-1-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)[C@H]2c1ccccc1C(=O)C2
O=C1CC(c2ccccc21)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
1-(4-chlorophenyl)cyclohexane-1-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1C2(CCCCC2)C(=O)O)Cl
http://www.opentox.org/api/1.1#ChemicalName
3-(4-fluorobenzoyl)propionic acid
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1C(=O)CCC(=O)O)F
http://www.opentox.org/api/1.1#ChemicalName
1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C1Cc2ccccc2CC1
http://www.opentox.org/api/1.1#ChemicalName
neopine
http://www.opentox.org/api/1.1#SMILES
COc1ccc2CC5N(C)CCC43C5=CCC(O)C4Oc1c23
http://www.opentox.org/api/1.1#ChemicalName
4-n-butyl-4'-cyanobiphenyl
http://www.opentox.org/api/1.1#SMILES
CCCCc1ccc(cc1)c2ccc(cc2)C#N
http://www.opentox.org/api/1.1#ChemicalName
4'-n-octylbiphenyl-4-carbonitrile
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCc1ccc(cc1)c2ccc(cc2)C#N
http://www.opentox.org/api/1.1#ChemicalName
4-cyano-4''-n-pentyl-p-terphenyl
http://www.opentox.org/api/1.1#SMILES
CCCCCc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)C#N
http://www.opentox.org/api/1.1#ChemicalName
3-phenyl-piperidine
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1)C2CCCNC2
http://www.opentox.org/api/1.1#ChemicalName
4-n-hexylbiphenyl
http://www.opentox.org/api/1.1#SMILES
CCCCCCc1ccc(cc1)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
4-n-heptylbiphenyl
http://www.opentox.org/api/1.1#SMILES
CCCCCCCc1ccc(cc1)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
tadalafil
http://www.opentox.org/api/1.1#SMILES
O=C6N(C)CC(=O)N4[C@@H]6Cc1c5ccccc5nc1[C@H]4c2ccc3OCOc3c2
http://www.opentox.org/api/1.1#ChemicalName
2-n-nonylnaphthalene
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCCc1ccc2ccccc2c1
http://www.opentox.org/api/1.1#ChemicalName
isopilosine
http://www.opentox.org/api/1.1#SMILES
Cn3cncc3CC1COC(=O)C1C(O)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
1-n-nonylnaphthalene
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCCc2cccc1ccccc12
http://www.opentox.org/api/1.1#ChemicalName
2-benzyl-piperidine
http://www.opentox.org/api/1.1#SMILES
c1ccccc1CC2CCCCN2
http://www.opentox.org/api/1.1#ChemicalName
acenaphthylene, 1,2,2a,3,4,5-hexahydro-
http://www.opentox.org/api/1.1#SMILES
C1Cc2cccc3CCCC1c23
http://www.opentox.org/api/1.1#ChemicalName
1,2-dibenzoylethane
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)C(=O)CCC(=O)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
1,1-diphenylhexane
http://www.opentox.org/api/1.1#SMILES
CCCCCC(c1ccccc1)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
1,3-diphenyl-1-butanone
http://www.opentox.org/api/1.1#SMILES
CC(CC(=O)c1ccccc1)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
1,1-diphenylpentane
http://www.opentox.org/api/1.1#SMILES
CCCCC(c1ccccc1)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
1,4-dihydro-methylethylidene-1,4-methanonaphthalene
http://www.opentox.org/api/1.1#SMILES
CC(C)=C1C2C=CC1c1ccccc12
http://www.opentox.org/api/1.1#ChemicalName
9-(propan-2-ylidene)-1,2,3,4-tetrahydro-1,4-methanonaphthalene
http://www.opentox.org/api/1.1#SMILES
CC(C)=C1C2CCC1c1ccccc12
http://www.opentox.org/api/1.1#ChemicalName
1,4-diphenyl-1-butanol
http://www.opentox.org/api/1.1#SMILES
OC(CCCc1ccccc1)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
4-n-pentylbenzenesulfonyl chloride
http://www.opentox.org/api/1.1#SMILES
CCCCCc1ccc(cc1)S(=O)(=O)Cl
http://www.opentox.org/api/1.1#ChemicalName
quinamine
http://www.opentox.org/api/1.1#SMILES
C=CC5CN1CCC5CC1C34Nc2ccccc2C4(O)CCO3
http://www.opentox.org/api/1.1#ChemicalName
1-pentanone, 1-(4-aminophenyl)-
http://www.opentox.org/api/1.1#SMILES
O=C(CCCC)c1ccc(N)cc1
http://www.opentox.org/api/1.1#ChemicalName
n-hexylnaphthalene
http://www.opentox.org/api/1.1#SMILES
CCCCCCc2cccc1ccccc12
http://www.opentox.org/api/1.1#ChemicalName
4-n-heptylbenzoic acid
http://www.opentox.org/api/1.1#SMILES
CCCCCCCc1ccc(cc1)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
4-cyanophenyl 4-n-butylbenzoate
http://www.opentox.org/api/1.1#SMILES
CCCCc1ccc(cc1)C(=O)Oc2ccc(cc2)C#N
http://www.opentox.org/api/1.1#ChemicalName
4-cyano-4'-n-heptylbiphenyl
http://www.opentox.org/api/1.1#SMILES
CCCCCCCc1ccc(cc1)c2ccc(cc2)C#N
http://www.opentox.org/api/1.1#ChemicalName
4-cyanophenyl 4-n-hexylbenzoate
http://www.opentox.org/api/1.1#SMILES
CCCCCCc1ccc(cc1)C(=O)Oc2ccc(cc2)C#N
http://www.opentox.org/api/1.1#ChemicalName
3-(3,4-dimethoxybenzoyl)propionic acid
http://www.opentox.org/api/1.1#SMILES
COc1ccc(cc1OC)C(=O)CCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
podocarpic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C3(C)CCCC2(C)C3CCc1ccc(O)cc12
http://www.opentox.org/api/1.1#ChemicalName
5-benzoylpentanoic acid
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)C(=O)CCCCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
6-bromo-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene
http://www.opentox.org/api/1.1#SMILES
CC1(CCC(c2c1ccc(c2)Br)(C)C)C
http://www.opentox.org/api/1.1#ChemicalName
phenol, 4,4'-butylidenebis-
http://www.opentox.org/api/1.1#SMILES
Oc1ccc(cc1)C(CCC)c2ccc(O)cc2
http://www.opentox.org/api/1.1#ChemicalName
1,4-diphenylbutane-2,3-dione
http://www.opentox.org/api/1.1#SMILES
O=C(Cc1ccccc1)C(=O)Cc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
veratramine
http://www.opentox.org/api/1.1#SMILES
OC5CC(C)CNC5C(C)c3ccc2C4CC=C1CC(O)CCC1(C)C4Cc2c3C
http://www.opentox.org/api/1.1#ChemicalName
methyl (6-methoxy-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)(oxo)acetate
http://www.opentox.org/api/1.1#SMILES
O=C1c2ccc(OC)cc2CCC1C(=O)C(=O)OC
http://www.opentox.org/api/1.1#ChemicalName
(1s,3ar,4s,6ar)-tetrahydro-1h,3h-furo[3,4-c]furan-1,4-diylbis-2-methoxy-4,1-phenylene diacetate
http://www.opentox.org/api/1.1#SMILES
O=C(Oc1ccc(cc1OC)[C@H]2OC[C@H]4[C@@H]2CO[C@@H]4c3ccc(OC(=O)C)c(OC)c3)C
http://www.opentox.org/api/1.1#ChemicalName
5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)c1cccc2CCCCc21
http://www.opentox.org/api/1.1#ChemicalName
1-(2-naphthyl)butane-1,3-dione
http://www.opentox.org/api/1.1#SMILES
O=C(C)CC(=O)c1ccc2ccccc2c1
http://www.opentox.org/api/1.1#ChemicalName
vinblastine
http://www.opentox.org/api/1.1#SMILES
O=C(OC)C2(CC4CC(O)(CC)CN(CCc1c3ccccc3nc12)C4)c5cc9c(cc5OC)N(C)C8C97CCN6CC=CC(CC)(C67)C(OC(C)=O)C8(O)C(=O)OC
O=C(OC)[C@@]2(C[C@H]4C[C@@](O)(CC)CN(CCc1c3ccccc3nc12)C4)c5cc9c(cc5OC)N(C)[C@@H]8[C@]97CCN6CC=C[C@](CC)([C@H]67)[C@@H](OC(C)=O)[C@]8(O)C(=O)OC
http://www.opentox.org/api/1.1#ChemicalName
3-(4-methylbenzoyl)propionic acid
http://www.opentox.org/api/1.1#SMILES
Cc1ccc(cc1)C(=O)CCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
actiphenol
http://www.opentox.org/api/1.1#SMILES
O=C2CC(CC(=O)c1cc(C)cc(C)c1O)CC(=O)N2
http://www.opentox.org/api/1.1#ChemicalName
phenol, 2-chloro-4-cyclohexyl-
http://www.opentox.org/api/1.1#SMILES
Oc1ccc(cc1Cl)C2CCCCC2
http://www.opentox.org/api/1.1#ChemicalName
1,1,-diphenylheptane
http://www.opentox.org/api/1.1#SMILES
CCCCCCC(c1ccccc1)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
tazettine
http://www.opentox.org/api/1.1#SMILES
COC1C=CC35C(C1)N(C)CC5(O)OCc2cc4OCOc4cc23
http://www.opentox.org/api/1.1#ChemicalName
5-cyclobutyl-5-phenylhydantoin
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)C2(C(=O)NC(=O)N2)C3CCC3
http://www.opentox.org/api/1.1#ChemicalName
gelsemine
http://www.opentox.org/api/1.1#SMILES
O=C6Nc1ccccc1C65C2C3N(C)CC2(C=C)C4CC5OCC34
http://www.opentox.org/api/1.1#ChemicalName
prednimustine
http://www.opentox.org/api/1.1#SMILES
ClCCN(CCCl)c1ccc(cc1)CCCC(=O)OCC(=O)C5(O)CCC4C3CCC2=CC(=O)C=CC2(C)C3C(O)CC45C
http://www.opentox.org/api/1.1#ChemicalName
3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-2*
http://www.opentox.org/api/1.1#SMILES
OC5OCC(Cc1ccc2OCOc2c1)C5Cc3cc4OCOc4cc3
http://www.opentox.org/api/1.1#ChemicalName
1(2h)-naphthalenone, 3,4-dihydro-4-phenyl-
http://www.opentox.org/api/1.1#SMILES
O=C1CCC(c2ccccc2)c2ccccc12
http://www.opentox.org/api/1.1#ChemicalName
7-benzoylheptanoic acid
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)C(=O)CCCCCCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
6-(2,5-dimethoxyphenyl)-6-oxohexanoic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)CCCCC(=O)c1cc(OC)ccc1OC
http://www.opentox.org/api/1.1#ChemicalName
3-(4-ethylbenzoyl)propionic acid
http://www.opentox.org/api/1.1#SMILES
CCc1ccc(cc1)C(=O)CCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
4-(3,4-dimethoxyphenyl)butyric acid
http://www.opentox.org/api/1.1#SMILES
COc1ccc(cc1OC)CCCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
6-benzoylhexanoic acid
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)C(=O)CCCCCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
4-hydroxy-1,4-diphenylbutan-1-one
http://www.opentox.org/api/1.1#SMILES
O=C(CCC(O)c1ccccc1)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1,3-dione
http://www.opentox.org/api/1.1#SMILES
O=C1OC(=O)C2Cc3ccccc3CC12
http://www.opentox.org/api/1.1#CASRN
115-53-7
http://www.opentox.org/api/1.1#ChemicalName
sinomenine
http://www.opentox.org/api/1.1#SMILES
COC3=CC4C2Cc1ccc(OC)c(O)c1C4(CCN2C)CC3=O
http://www.opentox.org/api/1.1#ChemicalName
reserpic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C2C(OC)C(O)CC3CN4CCc1c5ccc(OC)cc5nc1C4CC23
http://www.opentox.org/api/1.1#ChemicalName
4-methyl-5-phenylpentanoic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)CCC(C)Cc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
normorphine
http://www.opentox.org/api/1.1#SMILES
Oc1ccc2CC5NCCC43C5C=CC(O)C4Oc1c23
http://www.opentox.org/api/1.1#ChemicalName
rimiterol
http://www.opentox.org/api/1.1#SMILES
OC(c1ccc(O)c(O)c1)C2CCCCN2
http://www.opentox.org/api/1.1#ChemicalName
pentagastrin
http://www.opentox.org/api/1.1#SMILES
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)OCC(C)C)Cc3cnc2ccccc23
http://www.opentox.org/api/1.1#ChemicalName
epimestrol
http://www.opentox.org/api/1.1#SMILES
COc3cc4CCC2C(CCC1(C)C2CC(O)C1O)c4cc3
http://www.opentox.org/api/1.1#ChemicalName
benzyl morphine
http://www.opentox.org/api/1.1#SMILES
CN2CCC65C3C=CC(O)C6Oc4c(OCc1ccccc1)ccc(CC23)c45
http://www.opentox.org/api/1.1#ChemicalName
8-phenyloctanoic acid
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)CCCCCCCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
naphthalene, 2-hexyl-
http://www.opentox.org/api/1.1#SMILES
CCCCCCc1ccc2ccccc2c1
http://www.opentox.org/api/1.1#ChemicalName
7-phenylheptanoic acid
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)CCCCCCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
phenomorphan
http://www.opentox.org/api/1.1#SMILES
Oc3ccc4CC2C5CCCCC5(CCN2CCc1ccccc1)c4c3
http://www.opentox.org/api/1.1#ChemicalName
cinchonamine
http://www.opentox.org/api/1.1#SMILES
OCCc3c4ccccc4nc3C2CC1CCN2CC1C=C
http://www.opentox.org/api/1.1#ChemicalName
pholcodine
http://www.opentox.org/api/1.1#SMILES
CN3CCC45c6c2ccc(OCCN1CCOCC1)c6OC5C(O)C=CC4C3C2
http://www.opentox.org/api/1.1#ChemicalName
cannabidiol
http://www.opentox.org/api/1.1#SMILES
CC(=C)C2CCC(C)=CC2c1c(O)cc(CCCCC)cc1O
http://www.opentox.org/api/1.1#ChemicalName
naphthalene, 1,2,3,4-tetrahydro-2,6-dimethyl-
http://www.opentox.org/api/1.1#SMILES
Cc1ccc2CC(C)CCc2c1
http://www.opentox.org/api/1.1#ChemicalName
thiocolchicine
http://www.opentox.org/api/1.1#SMILES
CC(=O)NC2CCc3cc(OC)c(OC)c(OC)c3C1=CC=C(SC)C(=O)C=C12
http://www.opentox.org/api/1.1#ChemicalName
10-phenyl-1-decanol
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)CCCCCCCCCCO
http://www.opentox.org/api/1.1#ChemicalName
aspidospermine
http://www.opentox.org/api/1.1#SMILES
CC(=O)N5C1CCC3(CC)CCCN2CCC1(C23)c4cccc(OC)c45
http://www.opentox.org/api/1.1#ChemicalName
1h-indene, 5-hexyl-2,3-dihydro-
http://www.opentox.org/api/1.1#SMILES
CCCCCCc1ccc2CCCc2c1
http://www.opentox.org/api/1.1#ChemicalName
ethyl 3-(4-methoxybenzoyl)propionate
http://www.opentox.org/api/1.1#SMILES
CCOC(=O)CCC(=O)c1ccc(cc1)OC
http://www.opentox.org/api/1.1#ChemicalName
sesamolin
http://www.opentox.org/api/1.1#SMILES
O(C2OCC1C(OCC12)c3ccc4OCOc4c3)c5ccc6OCOc6c5
http://www.opentox.org/api/1.1#ChemicalName
5-acetyl-6-methyl-4-phenyl-3,4-dihydropyrimidin-2(1h)-one
http://www.opentox.org/api/1.1#SMILES
O=C1NC(C)=C(C(=O)C)C(N1)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
1',4'-dihydrospiro[cyclopropane-1,9'-[1,4]methanonaphthalene]
http://www.opentox.org/api/1.1#SMILES
C1=CC2c3ccccc3C1C12CC1
http://www.opentox.org/api/1.1#ChemicalName
2-bornanone, 3-(diphenylmethyl)-
http://www.opentox.org/api/1.1#SMILES
O=C1C(C2CCC1(C)C2(C)C)C(c1ccccc1)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
3-(4-methylsulfonylbenzoyl)propionic acid
http://www.opentox.org/api/1.1#SMILES
CS(=O)(=O)c1ccc(cc1)C(=O)CCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
1-(4-ethoxyphenyl)ethynyl-4-n-pentylbenzene
http://www.opentox.org/api/1.1#SMILES
CCCCCc1ccc(cc1)C#Cc2ccc(cc2)OCC
http://www.opentox.org/api/1.1#ChemicalName
1-n-butyl-4-[(4-ethoxyphenyl)ethynyl]benzene
http://www.opentox.org/api/1.1#SMILES
CCCCc1ccc(cc1)C#Cc2ccc(cc2)OCC
http://www.opentox.org/api/1.1#ChemicalName
1-n-butyl-4-[(4-methoxyphenyl)ethynyl]benzene
http://www.opentox.org/api/1.1#SMILES
CCCCc1ccc(cc1)C#Cc2ccc(cc2)OC
http://www.opentox.org/api/1.1#ChemicalName
1-(4-methoxyphenyl)ethynyl-4-n-pentylbenzene
http://www.opentox.org/api/1.1#SMILES
CCCCCc1ccc(cc1)C#Cc2ccc(cc2)OC
http://www.opentox.org/api/1.1#ChemicalName
paclobutrazol
http://www.opentox.org/api/1.1#SMILES
OC(C(Cc1ccc(Cl)cc1)n2cncn2)C(C)(C)C
http://www.opentox.org/api/1.1#ChemicalName
4,6-diisopropyl-1,1,3,3-tetramethyl-5-indanol
http://www.opentox.org/api/1.1#SMILES
CC(C)c1cc2c(c(c1O)C(C)C)C(CC2(C)C)(C)C
http://www.opentox.org/api/1.1#ChemicalName
lysergic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C2C=C1c3cccc4ncc(CC1N(C)C2)c34
http://www.opentox.org/api/1.1#ChemicalName
nimbiol
http://www.opentox.org/api/1.1#SMILES
Cc2cc3C(=O)CC1C(C)(CCCC1(C)C)c3cc2O
http://www.opentox.org/api/1.1#ChemicalName
bromolysergide
http://www.opentox.org/api/1.1#SMILES
CCN(CC)C(=O)C4C=C1C(Cc2c(Br)nc3cccc1c23)N(C)C4
http://www.opentox.org/api/1.1#ChemicalName
colpormon
http://www.opentox.org/api/1.1#SMILES
CC(=O)Oc3cc4CCC2C(CCC1(C)C2CC(OC(C)=O)C1=O)c4cc3
http://www.opentox.org/api/1.1#ChemicalName
vomicine
http://www.opentox.org/api/1.1#SMILES
Oc1cccc2c1N5C(=O)CC4OCC=C3CN(C)CCC26C(=O)CC3C4C56
http://www.opentox.org/api/1.1#ChemicalName
1-(1h-inden-2-yl)ethanone
http://www.opentox.org/api/1.1#SMILES
O=C(C)C1=Cc2ccccc2C1
http://www.opentox.org/api/1.1#ChemicalName
4-(4-fluorobenzoyl)butyric acid
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1C(=O)CCCC(=O)O)F
http://www.opentox.org/api/1.1#ChemicalName
6-(4-bromophenyl)-4,5-dihydro-3(2h)-pyridazinone
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1C2=NNC(=O)CC2)Br
http://www.opentox.org/api/1.1#ChemicalName
(2e)-2-benzylidene-6-methoxy-3,4-dihydronaphthalen-1(2h)-one
http://www.opentox.org/api/1.1#SMILES
O=C1C(=Cc2ccccc2)CCc2cc(OC)ccc21
http://www.opentox.org/api/1.1#ChemicalName
9-(4-methoxyphenyl)-2,3,4,5,6,7,8,9-octahydro-1h-xanthene
http://www.opentox.org/api/1.1#SMILES
O1C=2CCCCC=2C(c2ccc(OC)cc2)C=2CCCCC1=2
http://www.opentox.org/api/1.1#ChemicalName
7-(diphenyl-phosphinoyl)-5,7,8,9-tetrahydro-6h-dibenzo[c,h]xanthene
http://www.opentox.org/api/1.1#SMILES
[P+]([O-])(c1ccccc1)(c1ccccc1)C1C=2CCc3ccccc3C=2OC=2c3ccccc3CCC=21
http://www.opentox.org/api/1.1#ChemicalName
4-n-butylbenzenesulfonamide
http://www.opentox.org/api/1.1#SMILES
CCCCc1ccc(cc1)S(=O)(=O)N
http://www.opentox.org/api/1.1#ChemicalName
benzamide, n-(4-butylphenyl)-4-methoxy-
http://www.opentox.org/api/1.1#SMILES
O=C(Nc1ccc(cc1)CCCC)c1ccc(OC)cc1
http://www.opentox.org/api/1.1#ChemicalName
4'-tert-butyl-4-chlorobutyrophenone
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)c1ccc(cc1)C(=O)CCCCl
http://www.opentox.org/api/1.1#ChemicalName
4,4'-dichlorobutyrophenone
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1C(=O)CCCCl)Cl
http://www.opentox.org/api/1.1#ChemicalName
diethyl 4-(4-fluorophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate
http://www.opentox.org/api/1.1#SMILES
Fc1ccc(cc1)C1C(C(=O)OCC)C(O)(NC(O)(C1C(=O)OCC)C(F)(F)F)C(F)(F)F
http://www.opentox.org/api/1.1#ChemicalName
5-(4-fluorophenyl)valeric acid
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1CCCCC(=O)O)F
http://www.opentox.org/api/1.1#ChemicalName
4-n-butylbenzenesulfonyl chloride
http://www.opentox.org/api/1.1#SMILES
CCCCc1ccc(cc1)S(=O)(=O)Cl
http://www.opentox.org/api/1.1#ChemicalName
4-(2,5-dimethylphenyl)-2,2-dimethyl-4-oxobutanoic acid
http://www.opentox.org/api/1.1#SMILES
O=C(CC(C)(C)C(=O)O)c1cc(C)ccc1C
http://www.opentox.org/api/1.1#ChemicalName
4-(2,5-dimethylphenyl)-2,2-dimethylbutanoic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C(C)(C)CCc1cc(C)ccc1C
http://www.opentox.org/api/1.1#ChemicalName
ethyl 2-[2-(4-methoxyphenyl)-5-oxotetrahydrofuran-2-yl]-2-methylpropanoate
http://www.opentox.org/api/1.1#SMILES
O=C1OC(CC1)(c1ccc(OC)cc1)C(C)(C)C(=O)OCC
http://www.opentox.org/api/1.1#ChemicalName
5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl acetate
http://www.opentox.org/api/1.1#SMILES
O=C(OC1CCCc2c(C)ccc(C)c21)C
http://www.opentox.org/api/1.1#ChemicalName
21-phenylpregnane-3,17-diol
http://www.opentox.org/api/1.1#SMILES
OC1CCC2(C)C(CCC3C4CCC(O)(CCc5ccccc5)C4(C)CCC32)C1
http://www.opentox.org/api/1.1#ChemicalName
7-benzyl-4a,8-dimethyl-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydrochrysene
http://www.opentox.org/api/1.1#SMILES
Cc1ccc2c(CCC3C2CCC2CCCCC23C)c1Cc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
17-methyl-21-phenylpregnan-3-yl acetate
http://www.opentox.org/api/1.1#SMILES
O=C(OC1CCC2(C)C(CCC3C4CCC(C)(CCc5ccccc5)C4(C)CCC32)C1)C
http://www.opentox.org/api/1.1#ChemicalName
21-phenylpregna-2,16-diene
http://www.opentox.org/api/1.1#SMILES
CC12CCC3C(CCC4CC=CCC43C)C2CC=C1CCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
3-hydroxy-14-methylestra-1,3,5(10),6,8-pentaen-17-one
http://www.opentox.org/api/1.1#SMILES
O=C1CCC2(C)c3ccc4cc(O)ccc4c3CCC12C
http://www.opentox.org/api/1.1#ChemicalName
6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C1CCc2cc(OC)ccc2C1C
http://www.opentox.org/api/1.1#ChemicalName
4a,7,8-trimethyl-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydrochrysene
http://www.opentox.org/api/1.1#SMILES
Cc1ccc2c(CCC3C2CCC2CCCCC23C)c1C
http://www.opentox.org/api/1.1#ChemicalName
2-(5-chloro-2,4-dinitrophenyl)-1-phenylbutane-1,3-dione
http://www.opentox.org/api/1.1#SMILES
Clc1cc(c([N+](=O)[O-])cc1[N+](=O)[O-])C(C(=O)C)C(=O)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
2-acetyl-4-oxo-2,4-diphenylbutanenitrile
http://www.opentox.org/api/1.1#SMILES
O=C(CC(C#N)(c1ccccc1)C(=O)C)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
2-(4-nitrobenzyl)-3-oxo-2-phenylbutanenitrile
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])c1ccc(cc1)CC(C#N)(c1ccccc1)C(=O)C
http://www.opentox.org/api/1.1#ChemicalName
4,4'-benzene-1,4-diyldibutan-2-one
http://www.opentox.org/api/1.1#SMILES
O=C(C)CCc1ccc(cc1)CCC(=O)C
http://www.opentox.org/api/1.1#ChemicalName
4,4'-benzene-1,4-diyldibutan-2-ol
http://www.opentox.org/api/1.1#SMILES
OC(C)CCc1ccc(cc1)CCC(O)C
http://www.opentox.org/api/1.1#ChemicalName
3-[(4-nitrophenyl)hydrazono]-1,4-diphenylbutan-2-ol
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])c1ccc(NN=C(Cc2ccccc2)C(O)Cc2ccccc2)cc1
http://www.opentox.org/api/1.1#ChemicalName
3-[(4-bromophenyl)hydrazono]-1,4-diphenylbutan-2-ol
http://www.opentox.org/api/1.1#SMILES
Brc1ccc(NN=C(Cc2ccccc2)C(O)Cc2ccccc2)cc1
http://www.opentox.org/api/1.1#ChemicalName
1-bromo-1,4-diphenylbutane-2,3-dione
http://www.opentox.org/api/1.1#SMILES
BrC(c1ccccc1)C(=O)C(=O)Cc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
1,4-dibromo-1,4-diphenylbutane-2,3-dione
http://www.opentox.org/api/1.1#SMILES
BrC(c1ccccc1)C(=O)C(=O)C(Br)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
2,7-dimethyl-1-(phenylcarbonyl)-1,2,3,4-tetrahydropyrido[2,3-g]quinoline
http://www.opentox.org/api/1.1#SMILES
O=C(N1c2cc3ccc([nH0]c3cc2CCC1C)C)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
2,7-dimethyl-1,2,3,4-tetrahydropyrido[2,3-g]quinoline
http://www.opentox.org/api/1.1#SMILES
[nH0]1c(C)ccc2cc3NC(C)CCc3cc12
http://www.opentox.org/api/1.1#ChemicalName
2,7-dimethyl-1,6-bis(phenylcarbonyl)-1,2,3,4,6,7,8,9-octahydropyrido[2,3-g]quinoline
http://www.opentox.org/api/1.1#SMILES
O=C(N1c2cc3CCC(N(c3cc2CCC1C)C(=O)c1ccccc1)C)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
2,7-dimethyl-1-(phenylcarbonyl)-1,2,3,4,6,7,8,9-octahydropyrido[2,3-g]quinoline
http://www.opentox.org/api/1.1#SMILES
O=C(N1c2cc3CCC(Nc3cc2CCC1C)C)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
4,4'-(2-nitrobenzene-1,4-diyl)dibutan-2-one
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])c1cc(ccc1CCC(=O)C)CCC(=O)C
http://www.opentox.org/api/1.1#ChemicalName
4-(2-methyl-1,2,3,4-tetrahydroquinolin-7-yl)butan-2-one
http://www.opentox.org/api/1.1#SMILES
O=C(C)CCc1ccc2CCC(Nc2c1)C
http://www.opentox.org/api/1.1#ChemicalName
4-[2-methyl-1-(phenylcarbonyl)-1,2,3,4-tetrahydroquinolin-7-yl]butan-2-one
http://www.opentox.org/api/1.1#SMILES
O=C(C)CCc1ccc2CCC(N(c2c1)C(=O)c1ccccc1)C
http://www.opentox.org/api/1.1#ChemicalName
4-(2-methyl-1,2,3,4-tetrahydroquinolin-7-yl)butan-2-ol
http://www.opentox.org/api/1.1#SMILES
OC(C)CCc1ccc2CCC(Nc2c1)C
http://www.opentox.org/api/1.1#ChemicalName
n-{1-methyl-3-[4-(3-oxobutyl)phenyl]propyl}benzamide
http://www.opentox.org/api/1.1#SMILES
O=C(C)CCc1ccc(cc1)CCC(NC(=O)c1ccccc1)C
http://www.opentox.org/api/1.1#ChemicalName
2-{(e)-[2-methyl-7-(3-oxobutyl)-1,2,3,4-tetrahydroquinolin-6-yl]diazenyl}benzoic acid
http://www.opentox.org/api/1.1#SMILES
O=C(C)CCc1cc2NC(C)CCc2cc1N=Nc1ccccc1C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
4-[2-methyl-6-nitro-1-(phenylcarbonyl)-1,2,3,4-tetrahydroquinolin-7-yl]butan-2-one
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])c1cc2CCC(N(c2cc1CCC(=O)C)C(=O)c1ccccc1)C
http://www.opentox.org/api/1.1#ChemicalName
4-(2-methyl-6-nitro-1,2,3,4-tetrahydroquinolin-7-yl)butan-2-one
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])c1cc2CCC(Nc2cc1CCC(=O)C)C
http://www.opentox.org/api/1.1#ChemicalName
4-{2-methyl-6-nitro-1-[(4-nitrophenyl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}butan-2-one
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])c1ccc(cc1)C(=O)N1c2cc(CCC(=O)C)c([N+](=O)[O-])cc2CCC1C
http://www.opentox.org/api/1.1#ChemicalName
4-{2-methyl-5-nitro-1-[(4-nitrophenyl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}butan-2-one
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])c1ccc(cc1)C(=O)N1c2cc(cc([N+](=O)[O-])c2CCC1C)CCC(=O)C
http://www.opentox.org/api/1.1#ChemicalName
diethyl 2,2'-(benzene-1,4-diyldicarbonyl)bis(3-oxobutanoate)
http://www.opentox.org/api/1.1#SMILES
O=C(OCC)C(C(=O)C)C(=O)c1ccc(cc1)C(=O)C(C(=O)OCC)C(=O)C
http://www.opentox.org/api/1.1#ChemicalName
2,2'-butane-1,4-diyldianiline
http://www.opentox.org/api/1.1#SMILES
Nc1ccccc1CCCCc1ccccc1N
http://www.opentox.org/api/1.1#ChemicalName
n,n'-(butane-1,4-diyldibenzene-2,1-diyl)diacetamide
http://www.opentox.org/api/1.1#SMILES
O=C(Nc1ccccc1CCCCc1ccccc1NC(=O)C)C
http://www.opentox.org/api/1.1#ChemicalName
n,n'-(butane-1,4-diyldibenzene-2,1-diyl)dibenzamide
http://www.opentox.org/api/1.1#SMILES
O=C(Nc1ccccc1CCCCc1ccccc1NC(=O)c1ccccc1)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
4-furan-2-yl-1-phenyl-4-piperidin-1-ylbutan-2-one
http://www.opentox.org/api/1.1#SMILES
O=C(Cc1ccccc1)CC(N1CCCCC1)c1occc1
http://www.opentox.org/api/1.1#ChemicalName
1,7,7-trimethyl-3-(naphthalen-1-ylcarbonyl)bicyclo[2.2.1]heptan-2-one
http://www.opentox.org/api/1.1#SMILES
O=C1C(C(=O)c2cccc3ccccc32)C2CCC1(C)C2(C)C
http://www.opentox.org/api/1.1#ChemicalName
1,7,7-trimethyl-3-(phenylcarbonyl)bicyclo[2.2.1]heptan-2-one
http://www.opentox.org/api/1.1#SMILES
O=C1C(C(=O)c2ccccc2)C2CCC1(C)C2(C)C
http://www.opentox.org/api/1.1#ChemicalName
4-[7-(diphenylmethylidene)-2,3,3-trimethyltricyclo[2.2.1.0~2,6~]hept-1-yl]phenyl methyl ether
http://www.opentox.org/api/1.1#SMILES
O(C)c1ccc(cc1)C12C(=C(c3ccccc3)c3ccccc3)C3CC1C2(C)C3(C)C
http://www.opentox.org/api/1.1#ChemicalName
6-(diphenylmethylidene)-2,2-dimethyl-3-methylidene-5-phenylbicyclo[2.2.1]heptane
http://www.opentox.org/api/1.1#SMILES
C=C1C2CC(C(=C(c3ccccc3)c3ccccc3)C2c2ccccc2)C1(C)C
http://www.opentox.org/api/1.1#ChemicalName
7-(diphenylmethylidene)-2,3,3-trimethyl-1-phenyltricyclo[2.2.1.0~2,6~]heptane
http://www.opentox.org/api/1.1#SMILES
CC12C3CC(C(=C(c4ccccc4)c4ccccc4)C31c1ccccc1)C2(C)C
http://www.opentox.org/api/1.1#ChemicalName
4-(2-hydroxybenzyl)-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one
http://www.opentox.org/api/1.1#SMILES
O=C1N(N=C(C)C1Cc1ccccc1O)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
4,4'-[(4-hydroxyphenyl)methanediyl]bis(5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one)
http://www.opentox.org/api/1.1#SMILES
O=C1N(N=C(C)C1C(c1ccc(O)cc1)C1C(=O)N(N=C1C)c1ccccc1)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
4-(4-hydroxybenzyl)-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one
http://www.opentox.org/api/1.1#SMILES
O=C1N(N=C(C)C1Cc1ccc(O)cc1)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
4-bromo-4-{bromo[3-(4-nitrophenyl)-5-oxo-1-phenyl-4,5-dihydro-1h-pyrazol-4-yl]methyl}-5-(4-nitrophenyl)-2-phenyl-2,4-dihydro-3h-pyrazol-3-one
http://www.opentox.org/api/1.1#SMILES
BrC(C1C(=O)N(N=C1c1ccc([N+](=O)[O-])cc1)c1ccccc1)C1(Br)C(=O)N(N=C1c1ccc([N+](=O)[O-])cc1)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
4-amino-3-benzylbut-3-en-2-one
http://www.opentox.org/api/1.1#SMILES
O=C(C)C(=CN)Cc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
n,n-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]aniline
http://www.opentox.org/api/1.1#SMILES
N1c2ccccc2CCC1CCc1ccc(N(C)C)cc1
http://www.opentox.org/api/1.1#ChemicalName
n,n-dimethyl-4-[2-(1-nitroso-1,2,3,4-tetrahydroquinolin-2-yl)ethyl]aniline
http://www.opentox.org/api/1.1#SMILES
O=NN1c2ccccc2CCC1CCc1ccc(N(C)C)cc1
http://www.opentox.org/api/1.1#ChemicalName
n,n-dimethyl-4-{2-[1-(phenylcarbonyl)-1,2,3,4-tetrahydroquinolin-2-yl]ethyl}aniline
http://www.opentox.org/api/1.1#SMILES
O=C(N1c2ccccc2CCC1CCc1ccc(N(C)C)cc1)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
6-[hydroxy(diphenyl)methyl]-2,2,6-trimethyltetrahydro-2h-pyran-3-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C1CCC(OC1(C)C)(C)C(O)(c1ccccc1)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
methyl 6-[hydroxy(diphenyl)methyl]-2,2,6-trimethyltetrahydro-2h-pyran-3-carboxylate
http://www.opentox.org/api/1.1#SMILES
O=C(OC)C1CCC(OC1(C)C)(C)C(O)(c1ccccc1)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
5,7,7-trimethyl-4,4-diphenyl-3,6-dioxabicyclo[3.2.2]nonan-2-one
http://www.opentox.org/api/1.1#SMILES
O=C1OC(c2ccccc2)(c2ccccc2)C2(OC(C)(C)C1CC2)C
http://www.opentox.org/api/1.1#ChemicalName
6-{hydroxy[bis(4-methylphenyl)]methyl}-2,2,6-trimethyltetrahydro-2h-pyran-3-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C1CCC(OC1(C)C)(C)C(O)(c1ccc(C)cc1)c1ccc(C)cc1
http://www.opentox.org/api/1.1#ChemicalName
6-(1-benzyl-1-hydroxy-2-phenylethyl)-2,2,6-trimethyltetrahydro-2h-pyran-3-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C1CCC(OC1(C)C)(C)C(O)(Cc1ccccc1)Cc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
6-[hydroxy(dinaphthalen-1-yl)methyl]-2,2,6-trimethyltetrahydro-2h-pyran-3-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C1CCC(OC1(C)C)(C)C(O)(c1cccc2ccccc21)c1cccc2ccccc21
http://www.opentox.org/api/1.1#ChemicalName
3-(diphenylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
http://www.opentox.org/api/1.1#SMILES
OC1C(C2CCC1(C)C2(C)C)C(c1ccccc1)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
4-methoxy-2-oxo-6-phenylcyclohex-3-ene-1-carbonitrile
http://www.opentox.org/api/1.1#SMILES
O=C1C=C(OC)CC(c2ccccc2)C1C#N
http://www.opentox.org/api/1.1#ChemicalName
2,4-dioxo-6-phenylcyclohexanecarbonitrile
http://www.opentox.org/api/1.1#SMILES
O=C1CC(=O)C(C#N)C(C1)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
1-(2-bromo-2-phenylethyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
http://www.opentox.org/api/1.1#SMILES
BrC(CC12OC(=O)C(C)(CC1)C2(C)C)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
1,2,2-trimethyl-3-(2-phenylethyl)cyclopentanecarboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C1(C)CCC(CCc2ccccc2)C1(C)C
http://www.opentox.org/api/1.1#ChemicalName
3-hydroxy-3-(2-hydroxy-2-phenylethyl)-1,2,2-trimethylcyclopentanecarboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C1(C)CCC(O)(CC(O)c2ccccc2)C1(C)C
http://www.opentox.org/api/1.1#ChemicalName
3-(1,2-dibromo-2-phenylethyl)-1,2,2-trimethylcyclopentanecarboxylic acid
http://www.opentox.org/api/1.1#SMILES
BrC(c1ccccc1)C(Br)C1CCC(C)(C(=O)O)C1(C)C
http://www.opentox.org/api/1.1#ChemicalName
4-[bromo(phenyl)methyl]-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
http://www.opentox.org/api/1.1#SMILES
BrC(c1ccccc1)C1OC(=O)C2(C)CCC1C2(C)C
http://www.opentox.org/api/1.1#ChemicalName
4-[hydroxy(phenyl)methyl]-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
http://www.opentox.org/api/1.1#SMILES
O=C1OC(C2CCC1(C)C2(C)C)C(O)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
3-(2-hydroxy-2-phenylethyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C1C(CC(O)c2ccccc2)C2CCC1(C)C2(C)C
http://www.opentox.org/api/1.1#ChemicalName
methyl 1,2,2-trimethyl-3-(2-phenylethyl)cyclopentanecarboxylate
http://www.opentox.org/api/1.1#SMILES
O=C(OC)C1(C)CCC(CCc2ccccc2)C1(C)C
http://www.opentox.org/api/1.1#ChemicalName
n,2,4-triphenylpyrrolidine-1-carbothioamide
http://www.opentox.org/api/1.1#SMILES
S=C(Nc1ccccc1)N1CC(CC1c1ccccc1)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
1,1'-(1,2,5,6-tetrabromohexane-1,6-diyl)dibenzene
http://www.opentox.org/api/1.1#SMILES
BrC(CCC(Br)C(Br)c1ccccc1)C(Br)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
2,2'-bis(3-bromo-3-phenylpropyl)-4,4',7,7,7',7'-hexamethyl-2,2'-bi(bicyclo[2.2.1]heptane)-3,3'-dione
http://www.opentox.org/api/1.1#SMILES
BrC(CCC1(C(=O)C2(C)CCC1C2(C)C)C1(CCC(Br)c2ccccc2)C(=O)C2(C)CCC1C2(C)C)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
2,2'-bis(2-bromo-3-phenylpropyl)-4,4',7,7,7',7'-hexamethyl-2,2'-bi(bicyclo[2.2.1]heptane)-3,3'-dione
http://www.opentox.org/api/1.1#SMILES
BrC(Cc1ccccc1)CC1(C(=O)C2(C)CCC1C2(C)C)C1(CC(Br)Cc2ccccc2)C(=O)C2(C)CCC1C2(C)C
http://www.opentox.org/api/1.1#ChemicalName
4,4',7,7,7',7'-hexamethyl-2,2'-bis(3-phenylpropyl)-2,2'-bi(bicyclo[2.2.1]heptane)-3,3'-dione
http://www.opentox.org/api/1.1#SMILES
O=C1C(CCCc2ccccc2)(C2CCC1(C)C2(C)C)C1(CCCc2ccccc2)C(=O)C2(C)CCC1C2(C)C
http://www.opentox.org/api/1.1#ChemicalName
2,5-diphenylpentanoic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C(CCCc1ccccc1)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
{[4,5-dimethyl-3-(1-methylethyl)cyclopenta-1,4-dien-1-yl]methyl}benzene
http://www.opentox.org/api/1.1#SMILES
CC=1C(=CC(C=1C)C(C)C)Cc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
5-methyl-2-(1-methylethyl)cyclohexyl 2-benzyl-3-oxobutanoate
http://www.opentox.org/api/1.1#SMILES
O=C(OC1CC(C)CCC1C(C)C)C(Cc1ccccc1)C(=O)C
http://www.opentox.org/api/1.1#ChemicalName
3,3'-(phenylmethanediyl)bis(4-hydroxy-1,8,8-trimethylbicyclo[3.2.1]octan-2-one)
http://www.opentox.org/api/1.1#SMILES
O=C1C(C(O)C2CCC1(C)C2(C)C)C(c1ccccc1)C1C(=O)C2(C)CCC(C1O)C2(C)C
http://www.opentox.org/api/1.1#ChemicalName
4a,7,8-trimethyl-1,2,3,4,4a,4b,5,6,10b,11-decahydrochrysene-2-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C1CCC2(C)C(=CCC3c4ccc(C)c(C)c4CCC32)C1
http://www.opentox.org/api/1.1#ChemicalName
7-ethyl-4a,8-dimethyl-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydrochrysen-2-ol
http://www.opentox.org/api/1.1#SMILES
OC1CCC2(C)C(CCC3c4ccc(C)c(CC)c4CCC32)C1
http://www.opentox.org/api/1.1#ChemicalName
17-hydroxy-21-phenylpregnan-3-yl acetate
http://www.opentox.org/api/1.1#SMILES
O=C(OC1CCC2(C)C(CCC3C4CCC(O)(CCc5ccccc5)C4(C)CCC32)C1)C
http://www.opentox.org/api/1.1#ChemicalName
17-hydroxy-21-phenylpregnan-3-one
http://www.opentox.org/api/1.1#SMILES
O=C1CCC2(C)C(CCC3C4CCC(O)(CCc5ccccc5)C4(C)CCC32)C1
http://www.opentox.org/api/1.1#ChemicalName
4a,7,8-trimethyl-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydrochrysen-2-ol
http://www.opentox.org/api/1.1#SMILES
OC1CCC2(C)C(CCC3c4ccc(C)c(C)c4CCC32)C1
http://www.opentox.org/api/1.1#ChemicalName
9-(2-methylpropyl)-9h-fluorene
http://www.opentox.org/api/1.1#SMILES
CC(C)CC1c2ccccc2c2ccccc21
http://www.opentox.org/api/1.1#ChemicalName
8-{[8-hydroxy-6-methoxy-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-6-methoxy-2-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
http://www.opentox.org/api/1.1#SMILES
Oc1c(OC)cc2CCN(C)C(CC(C)C)c2c1Oc1c(OC)cc2CCN(C)C(CC(C)C)c2c1O
http://www.opentox.org/api/1.1#ChemicalName
7,11-dihydroxy-8-methoxy-1,3,4,6,11,11a-hexahydro-2h-pyrido[1,2-b]isoquinolin-2-one
http://www.opentox.org/api/1.1#SMILES
O=C1CCN2Cc3c(O)c(OC)ccc3C(O)C2C1
http://www.opentox.org/api/1.1#ChemicalName
7-ethoxy-6-methoxy-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
http://www.opentox.org/api/1.1#SMILES
O(C)c1cc2CCNC(CC(C)C)c2cc1OCC
http://www.opentox.org/api/1.1#ChemicalName
7-(benzyloxy)-6-methoxy-1-(2-methylpropyl)-2-(2,4,6-trinitrophenoxy)-1,2,3,4-tetrahydroisoquinoline
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(ON2CCc3cc(OC)c(OCc4ccccc4)cc3C2CC(C)C)c([N+](=O)[O-])c1
http://www.opentox.org/api/1.1#ChemicalName
methyl 2-ethyl-3-methyl-3h-indole-3-carboxylate
http://www.opentox.org/api/1.1#SMILES
O=C(OC)C1(C)c2ccccc2N=C1CC
http://www.opentox.org/api/1.1#ChemicalName
methyl 2-acetyl-3-methyl-3h-indole-3-carboxylate
http://www.opentox.org/api/1.1#SMILES
O=C(C)C1=Nc2ccccc2C1(C)C(=O)OC
http://www.opentox.org/api/1.1#ChemicalName
(3,3-dimethyl-3h-indol-2-yl)(phenyl)methanone
http://www.opentox.org/api/1.1#SMILES
O=C(c1ccccc1)C1=Nc2ccccc2C1(C)C
http://www.opentox.org/api/1.1#ChemicalName
5,6,7,8,9,9a-hexahydro-4bh-benzo[3,4]cyclobuta[1,2][7]annulen-4b-ol
http://www.opentox.org/api/1.1#SMILES
OC12CCCCCC2c2ccccc21
http://www.opentox.org/api/1.1#ChemicalName
1,3,4,8b-tetrahydrobiphenylen-4a(2h)-ol
http://www.opentox.org/api/1.1#SMILES
OC12CCCCC2c2ccccc21
http://www.opentox.org/api/1.1#ChemicalName
1,2,3,7b-tetrahydro-3ah-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-ol
http://www.opentox.org/api/1.1#SMILES
OC12CCCC2c2ccccc21
http://www.opentox.org/api/1.1#ChemicalName
7-ethyl-8-methylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
http://www.opentox.org/api/1.1#SMILES
OC1(CC)c2ccccc2C1C
http://www.opentox.org/api/1.1#ChemicalName
3-cyclohexyl-3,4-dihydro-1h-isochromen-1-one
http://www.opentox.org/api/1.1#SMILES
O=C1OC(Cc2ccccc12)C1CCCCC1
http://www.opentox.org/api/1.1#ChemicalName
3-acetyl-3-methyl-3,4-dihydro-1h-isochromen-1-one
http://www.opentox.org/api/1.1#SMILES
O=C1OC(C)(Cc2ccccc12)C(=O)C
http://www.opentox.org/api/1.1#ChemicalName
2-acetyl-3-phenyl-3,4-dihydronaphthalen-1(2h)-one
http://www.opentox.org/api/1.1#SMILES
O=C1c2ccccc2CC(c2ccccc2)C1C(=O)C
http://www.opentox.org/api/1.1#ChemicalName
dimethyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate
http://www.opentox.org/api/1.1#SMILES
O=C1c2ccccc2CC(C(=O)OC)C1C(=O)OC
http://www.opentox.org/api/1.1#ChemicalName
3,4,4a,10-tetrahydroanthracene-1,9(2h,9ah)-dione
http://www.opentox.org/api/1.1#SMILES
O=C1CCCC2Cc3ccccc3C(=O)C12
http://www.opentox.org/api/1.1#ChemicalName
1-ethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-ol
http://www.opentox.org/api/1.1#SMILES
OC1(CCC(c2ccccc2)c2ccccc21)CC
http://www.opentox.org/api/1.1#ChemicalName
3,4,11,11a-tetrahydro-2h-pyrido[1,2-b]isoquinoline-2,6(1h)-dione
http://www.opentox.org/api/1.1#SMILES
O=C1CCN2C(=O)c3ccccc3CC2C1
http://www.opentox.org/api/1.1#ChemicalName
7,9-dimethyl-1,2,3,4,11,11a-hexahydro-6h-pyrido[1,2-b]isoquinolin-6-one
http://www.opentox.org/api/1.1#SMILES
O=C1N2CCCCC2Cc2cc(C)cc(C)c12
http://www.opentox.org/api/1.1#ChemicalName
6h-benzo[b]quinolizin-6-one, 1,2,3,4,11,11a-hexahydro-
http://www.opentox.org/api/1.1#SMILES
O=C1N2CCCCC2Cc2ccccc12
http://www.opentox.org/api/1.1#ChemicalName
12h-isoquino[2,3-a]quinolin-12-one
5,6,6a,7-tetrahydro-12h-isoquino[2,3-a]quinolin-12-one
http://www.opentox.org/api/1.1#SMILES
O=C1N2C(C=Cc3ccccc23)=Cc2ccccc12
O=C1N2c3ccccc3CCC2Cc2ccccc12
http://www.opentox.org/api/1.1#ChemicalName
1,6-diphenyl-3,4-bis(phenylcarbonyl)hexane-1,6-dione
http://www.opentox.org/api/1.1#SMILES
O=C(CC(C(=O)c1ccccc1)C(CC(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
2-(2-phenylethyl)cyclohex-1-ene-1-carboxamide
http://www.opentox.org/api/1.1#SMILES
O=C(N)C=1CCCCC=1CCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
4-oxo-1,4-diphenylbutyl acetate
http://www.opentox.org/api/1.1#SMILES
O=C(OC(CCC(=O)c1ccccc1)c1ccccc1)C
http://www.opentox.org/api/1.1#ChemicalName
1-phenyl-3-(phenylcarbonyl)pentane-1,4-dione
http://www.opentox.org/api/1.1#SMILES
O=C(CC(C(=O)C)C(=O)c1ccccc1)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
3-cyclohexyl-3,4-dihydro-1h-isochromen-1-ol
http://www.opentox.org/api/1.1#SMILES
OC1OC(Cc2ccccc21)C1CCCCC1
http://www.opentox.org/api/1.1#ChemicalName
1-(3-butyl-1-hydroxynaphthalen-2-yl)ethanone
http://www.opentox.org/api/1.1#SMILES
O=C(C)c1c(cc2ccccc2c1O)CCCC
http://www.opentox.org/api/1.1#ChemicalName
1-(pentamethylphenyl)butane-1,3-dione
http://www.opentox.org/api/1.1#SMILES
O=C(C)CC(=O)c1c(C)c(C)c(C)c(C)c1C
http://www.opentox.org/api/1.1#ChemicalName
tert-butyl 3-oxo-2,4-diphenylbutanoate
http://www.opentox.org/api/1.1#SMILES
O=C(OC(C)(C)C)C(c1ccccc1)C(=O)Cc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
1',4'-dihydrospiro[cyclohexane-1,3'-isochromen]-1'-ol
http://www.opentox.org/api/1.1#SMILES
OC1OC2(CCCCC2)Cc2ccccc21
http://www.opentox.org/api/1.1#ChemicalName
5a,6,7,10,11,11a-hexahydrotetracene-5,12-dione
http://www.opentox.org/api/1.1#SMILES
O=C1c2ccccc2C(=O)C2CC=3CC=CCC=3CC12
http://www.opentox.org/api/1.1#ChemicalName
(4ar,10as)-1,2,4,5,10,11-hexahydro-4a,10a-(methanooxymethano)cyclobuta[b]tetracene-13,15-dione
http://www.opentox.org/api/1.1#SMILES
O=C1OC(=O)C23Cc4cc5CCc5cc4CC13Cc1ccccc1C2
http://www.opentox.org/api/1.1#ChemicalName
5,6,11,12-tetrahydro-5a,11a-(methanooxymethano)tetracene-13,15-dione
http://www.opentox.org/api/1.1#SMILES
O=C1OC(=O)C23Cc4ccccc4CC13Cc1ccccc1C2
http://www.opentox.org/api/1.1#ChemicalName
4,5,6,7-tetramethyl-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C1CC(c2c1c(C)c(C)c(C)c2C)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
2-(7-hydroxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)-1-phenylethanone
http://www.opentox.org/api/1.1#SMILES
O=C(CC1(O)Cc2ccccc21)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
3-methyl-2-phenyl-2,3-dihydro-1h-inden-1-one
http://www.opentox.org/api/1.1#SMILES
O=C1c2ccccc2C(C)C1c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
methyl 3-oxo-indan-1-carboxylate
http://www.opentox.org/api/1.1#SMILES
O=C1CC(c2ccccc21)C(=O)OC
http://www.opentox.org/api/1.1#ChemicalName
methyl 3-phenyl-2,3-dihydro-1h-indene-1-carboxylate
http://www.opentox.org/api/1.1#SMILES
O=C(OC)C1CC(c2ccccc21)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
hexamethyl 1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene-2,3,6,7,10,11-hexacarboxylate
http://www.opentox.org/api/1.1#SMILES
O=C(OC)C1Cc2c(CC1C(=O)OC)c1CC(C(=O)OC)C(Cc1c1CC(C(=O)OC)C(Cc21)C(=O)OC)C(=O)OC
http://www.opentox.org/api/1.1#ChemicalName
5-methyl-2-(2,4,4,7-tetramethyl-3,4-dihydro-2h-chromen-2-yl)phenyl acetate
http://www.opentox.org/api/1.1#SMILES
O=C(Oc1cc(C)ccc1C1(Oc2cc(C)ccc2C(C)(C)C1)C)C
http://www.opentox.org/api/1.1#ChemicalName
5-methyl-2-(2,4,4,7-tetramethyl-3,4-dihydro-2h-chromen-2-yl)phenyl benzoate
http://www.opentox.org/api/1.1#SMILES
O=C(Oc1cc(C)ccc1C1(Oc2cc(C)ccc2C(C)(C)C1)C)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
10-methyl-1,2,3,4,5,6,7,8-octahydrotriphenylene
http://www.opentox.org/api/1.1#SMILES
Cc1ccc2c(c1)c1CCCCc1c1CCCCc21
http://www.opentox.org/api/1.1#ChemicalName
10-phenyl-1,2,3,4,5,6,7,8-octahydrotriphenylene
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)c1ccc2c(c1)c1CCCCc1c1CCCCc21
http://www.opentox.org/api/1.1#ChemicalName
4-methoxyphenyl (4-butylphenyl)carbamate
http://www.opentox.org/api/1.1#SMILES
O=C(Oc1ccc(OC)cc1)Nc1ccc(cc1)CCCC
http://www.opentox.org/api/1.1#ChemicalName
n-(4-butylphenyl)-4-ethylbenzamide
http://www.opentox.org/api/1.1#SMILES
O=C(Nc1ccc(cc1)CCCC)c1ccc(cc1)CC
http://www.opentox.org/api/1.1#ChemicalName
4-methyl-n-(4-pentylphenyl)benzamide
http://www.opentox.org/api/1.1#SMILES
O=C(Nc1ccc(cc1)CCCCC)c1ccc(C)cc1
http://www.opentox.org/api/1.1#ChemicalName
4-ethyl-n-(4-heptylphenyl)benzamide
http://www.opentox.org/api/1.1#SMILES
O=C(Nc1ccc(cc1)CCCCCCC)c1ccc(cc1)CC
http://www.opentox.org/api/1.1#ChemicalName
4-ethyl-n-(4-octylphenyl)benzamide
http://www.opentox.org/api/1.1#SMILES
O=C(Nc1ccc(cc1)CCCCCCCC)c1ccc(cc1)CC
http://www.opentox.org/api/1.1#ChemicalName
4-methyl-n-(4-octylphenyl)benzamide
http://www.opentox.org/api/1.1#SMILES
O=C(Nc1ccc(cc1)CCCCCCCC)c1ccc(C)cc1
http://www.opentox.org/api/1.1#ChemicalName
4-methoxy-n-(4-octylphenyl)benzamide
http://www.opentox.org/api/1.1#SMILES
O=C(Nc1ccc(cc1)CCCCCCCC)c1ccc(OC)cc1
http://www.opentox.org/api/1.1#ChemicalName
4-methoxyphenyl (4-octylphenyl)carbamate
http://www.opentox.org/api/1.1#SMILES
O=C(Oc1ccc(OC)cc1)Nc1ccc(cc1)CCCCCCCC
http://www.opentox.org/api/1.1#ChemicalName
4-methoxyphenyl 4-octylbenzoate
http://www.opentox.org/api/1.1#SMILES
O=C(Oc1ccc(OC)cc1)c1ccc(cc1)CCCCCCCC
http://www.opentox.org/api/1.1#ChemicalName
n-(4-decylphenyl)-4-methylbenzamide
http://www.opentox.org/api/1.1#SMILES
O=C(Nc1ccc(cc1)CCCCCCCCCC)c1ccc(C)cc1
http://www.opentox.org/api/1.1#ChemicalName
(e)-1-(4-butylphenyl)-2-(4-propoxyphenyl)diazene
http://www.opentox.org/api/1.1#SMILES
O(CCC)c1ccc(N=Nc2ccc(cc2)CCCC)cc1
http://www.opentox.org/api/1.1#ChemicalName
(e)-1-(4-butylphenyl)-2-[4-(pentyloxy)phenyl]diazene
http://www.opentox.org/api/1.1#SMILES
O(CCCCC)c1ccc(N=Nc2ccc(cc2)CCCC)cc1
http://www.opentox.org/api/1.1#ChemicalName
4-[(e)-(4-butylphenyl)diazenyl]phenyl propanoate
http://www.opentox.org/api/1.1#SMILES
O=C(Oc1ccc(N=Nc2ccc(cc2)CCCC)cc1)CC
http://www.opentox.org/api/1.1#ChemicalName
4-[(e)-(4-butylphenyl)diazenyl]phenyl octanoate
http://www.opentox.org/api/1.1#SMILES
O=C(Oc1ccc(N=Nc2ccc(cc2)CCCC)cc1)CCCCCCC
http://www.opentox.org/api/1.1#ChemicalName
diethyl 2,6-dihydroxy-4-phenyl-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate
http://www.opentox.org/api/1.1#SMILES
FC(F)(F)C1(O)NC(O)(C(C(=O)OCC)C(c2ccccc2)C1C(=O)OCC)C(F)(F)F
http://www.opentox.org/api/1.1#ChemicalName
diethyl 2,6-dihydroxy-4-(4-methylphenyl)-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate
http://www.opentox.org/api/1.1#SMILES
FC(F)(F)C1(O)NC(O)(C(C(=O)OCC)C(c2ccc(C)cc2)C1C(=O)OCC)C(F)(F)F
http://www.opentox.org/api/1.1#ChemicalName
5-(3-nitrophenyl)-3-(phenylcarbonyl)-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])c1cccc(N2C(=O)C3ON=C(C(=O)c4ccccc4)C3C2=O)c1
http://www.opentox.org/api/1.1#ChemicalName
5-(4-hydroxyphenyl)-3-[(4-methylphenyl)carbonyl]-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
O=C1N(C(=O)C2C(=NOC12)C(=O)c1ccc(C)cc1)c1ccc(O)cc1
http://www.opentox.org/api/1.1#ChemicalName
3-[(4-chlorophenyl)carbonyl]-5-(4-fluorophenyl)-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(cc1)C(=O)C1=NOC2C(=O)N(C(=O)C12)c1ccc(F)cc1
http://www.opentox.org/api/1.1#ChemicalName
5-(4-bromophenyl)-3-[(4-chlorophenyl)carbonyl]-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
Brc1ccc(N2C(=O)C3ON=C(C(=O)c4ccc(Cl)cc4)C3C2=O)cc1
http://www.opentox.org/api/1.1#ChemicalName
4-{3-[(4-chlorophenyl)carbonyl]-4,6-dioxo-3a,4,6,6a-tetrahydro-5h-pyrrolo[3,4-d]isoxazol-5-yl}benzoic acid
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(cc1)C(=O)C1=NOC2C(=O)N(C(=O)C12)c1ccc(cc1)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
5-(4-fluorophenyl)-3-[(4-methoxyphenyl)carbonyl]-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
Fc1ccc(N2C(=O)C3ON=C(C(=O)c4ccc(OC)cc4)C3C2=O)cc1
http://www.opentox.org/api/1.1#ChemicalName
5-(4-bromophenyl)-3-[(4-methoxyphenyl)carbonyl]-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
Brc1ccc(N2C(=O)C3ON=C(C(=O)c4ccc(OC)cc4)C3C2=O)cc1
http://www.opentox.org/api/1.1#ChemicalName
4-{3-[(4-methoxyphenyl)carbonyl]-4,6-dioxo-3a,4,6,6a-tetrahydro-5h-pyrrolo[3,4-d]isoxazol-5-yl}benzoic acid
http://www.opentox.org/api/1.1#SMILES
O=C1N(C(=O)C2C(=NOC12)C(=O)c1ccc(OC)cc1)c1ccc(cc1)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
5-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)carbonyl]-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(Cl)c(N2C(=O)C3ON=C(C(=O)c4ccc(OC)cc4)C3C2=O)c1
http://www.opentox.org/api/1.1#ChemicalName
3-(naphthalen-1-ylcarbonyl)-5-(3-nitrophenyl)-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])c1cccc(N2C(=O)C3ON=C(C(=O)c4cccc5ccccc54)C3C2=O)c1
http://www.opentox.org/api/1.1#ChemicalName
5-(4-fluorophenyl)-3-(naphthalen-2-ylcarbonyl)-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
Fc1ccc(N2C(=O)C3ON=C(C(=O)c4ccc5ccccc5c4)C3C2=O)cc1
http://www.opentox.org/api/1.1#ChemicalName
5-(4-bromophenyl)-3-(naphthalen-2-ylcarbonyl)-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
Brc1ccc(N2C(=O)C3ON=C(C(=O)c4ccc5ccccc5c4)C3C2=O)cc1
http://www.opentox.org/api/1.1#ChemicalName
3-(naphthalen-2-ylcarbonyl)-5-(2-nitrophenyl)-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])c1ccccc1N1C(=O)C2ON=C(C(=O)c3ccc4ccccc4c3)C2C1=O
http://www.opentox.org/api/1.1#ChemicalName
5-(2,5-dichlorophenyl)-3-(phenylcarbonyl)-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(Cl)c(N2C(=O)C3ON=C(C(=O)c4ccccc4)C3C2=O)c1
http://www.opentox.org/api/1.1#ChemicalName
4-[(2,6-dichlorophenyl)(hydroxy)methyl]-2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3h-pyrazol-3-one
http://www.opentox.org/api/1.1#SMILES
Clc1cccc(Cl)c1C(O)C1C(=O)N(N=C1C(F)(F)F)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-7h-benzo[a]acridin-11-one
http://www.opentox.org/api/1.1#SMILES
O=C1CC(C)(C)CC=2Nc3ccc4ccccc4c3C(c3ccccc3)C1=2
http://www.opentox.org/api/1.1#ChemicalName
diethyl 2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate
http://www.opentox.org/api/1.1#SMILES
FC(F)(F)C1(O)NC(O)(C(C(=O)OCC)C(c2ccc(OC)cc2)C1C(=O)OCC)C(F)(F)F
http://www.opentox.org/api/1.1#ChemicalName
diethyl 2,6-dihydroxy-4-(2-hydroxyphenyl)-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate
http://www.opentox.org/api/1.1#SMILES
FC(F)(F)C1(O)NC(O)(C(C(=O)OCC)C(c2ccccc2O)C1C(=O)OCC)C(F)(F)F
http://www.opentox.org/api/1.1#ChemicalName
4-[hydroxy(phenyl)methyl]-2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3h-pyrazol-3-one
http://www.opentox.org/api/1.1#SMILES
FC(F)(F)C1=NN(c2ccccc2)C(=O)C1C(O)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
4-[(4-chlorophenyl)(hydroxy)methyl]-2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3h-pyrazol-3-one
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(cc1)C(O)C1C(=O)N(N=C1C(F)(F)F)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
4-[hydroxy(4-methylphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3h-pyrazol-3-one
http://www.opentox.org/api/1.1#SMILES
FC(F)(F)C1=NN(c2ccccc2)C(=O)C1C(O)c1ccc(C)cc1
http://www.opentox.org/api/1.1#ChemicalName
4-[hydroxy(4-hydroxyphenyl)methyl]-2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3h-pyrazol-3-one
http://www.opentox.org/api/1.1#SMILES
FC(F)(F)C1=NN(c2ccccc2)C(=O)C1C(O)c1ccc(O)cc1
http://www.opentox.org/api/1.1#ChemicalName
4-[(2-chlorophenyl)(hydroxy)methyl]-2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3h-pyrazol-3-one
http://www.opentox.org/api/1.1#SMILES
Clc1ccccc1C(O)C1C(=O)N(N=C1C(F)(F)F)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
4-{[4-(dimethylamino)phenyl](hydroxy)methyl}-2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3h-pyrazol-3-one
http://www.opentox.org/api/1.1#SMILES
FC(F)(F)C1=NN(c2ccccc2)C(=O)C1C(O)c1ccc(N(C)C)cc1
http://www.opentox.org/api/1.1#ChemicalName
4-[(2,4-dichlorophenyl)(hydroxy)methyl]-2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3h-pyrazol-3-one
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(c(Cl)c1)C(O)C1C(=O)N(N=C1C(F)(F)F)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
7-(4-fluorophenyl)-10,10-dimethyl-7,10,11,12-tetrahydrobenzo[c]acridin-8(9h)-one
http://www.opentox.org/api/1.1#SMILES
Fc1ccc(cc1)C1c2ccc3ccccc3c2NC=2CC(C)(C)CC(=O)C=21
http://www.opentox.org/api/1.1#ChemicalName
7-(4-hydroxyphenyl)-10,10-dimethyl-7,10,11,12-tetrahydrobenzo[c]acridin-8(9h)-one
http://www.opentox.org/api/1.1#SMILES
O=C1CC(C)(C)CC=2Nc3c4ccccc4ccc3C(c3ccc(O)cc3)C1=2
http://www.opentox.org/api/1.1#ChemicalName
7-(2,4-dichlorophenyl)-10,10-dimethyl-7,10,11,12-tetrahydrobenzo[c]acridin-8(9h)-one
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(c(Cl)c1)C1c2ccc3ccccc3c2NC=2CC(C)(C)CC(=O)C=21
http://www.opentox.org/api/1.1#ChemicalName
7-[4-(dimethylamino)phenyl]-10,10-dimethyl-7,10,11,12-tetrahydrobenzo[c]acridin-8(9h)-one
http://www.opentox.org/api/1.1#SMILES
O=C1CC(C)(C)CC=2Nc3c4ccccc4ccc3C(c3ccc(N(C)C)cc3)C1=2
http://www.opentox.org/api/1.1#ChemicalName
benz[a]acridin-11(7h)-one, 12-(4-fluorophenyl)-8,9,10,12-tetrahydro-9,9-dimethyl-
http://www.opentox.org/api/1.1#SMILES
Fc1ccc(cc1)C1C=2C(=O)CC(C)(C)CC=2Nc2ccc3ccccc3c21
http://www.opentox.org/api/1.1#ChemicalName
benz[a]acridin-11(7h)-one, 8,9,10,12-tetrahydro-12-(4-methoxyphenyl)-9,9-dimethyl-
http://www.opentox.org/api/1.1#SMILES
O=C1CC(C)(C)CC=2Nc3ccc4ccccc4c3C(c3ccc(OC)cc3)C1=2
http://www.opentox.org/api/1.1#ChemicalName
12-(4-hydroxyphenyl)-9,9-dimethyl-8,9,10,12-tetrahydrobenzo[a]acridin-11(7h)-one
http://www.opentox.org/api/1.1#SMILES
O=C1CC(C)(C)CC=2Nc3ccc4ccccc4c3C(c3ccc(O)cc3)C1=2
http://www.opentox.org/api/1.1#ChemicalName
benz[a]acridin-11(7h)-one, 12-(2,4-dichlorophenyl)-8,9,10,12-tetrahydro-9,9-dimethyl-
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(c(Cl)c1)C1C=2C(=O)CC(C)(C)CC=2Nc2ccc3ccccc3c21
http://www.opentox.org/api/1.1#ChemicalName
benz[a]acridin-11(7h)-one, 12-[4-(dimethylamino)phenyl]-8,9,10,12-tetrahydro-9,9-dimethyl-
http://www.opentox.org/api/1.1#SMILES
O=C1CC(C)(C)CC=2Nc3ccc4ccccc4c3C(c3ccc(N(C)C)cc3)C1=2
http://www.opentox.org/api/1.1#ChemicalName
5-phenyl-3-(phenylcarbonyl)-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
O=C1N(C(=O)C2C(=NOC12)C(=O)c1ccccc1)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
5-(4-methoxyphenyl)-3-(phenylcarbonyl)-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
O=C1N(C(=O)C2C(=NOC12)C(=O)c1ccccc1)c1ccc(OC)cc1
http://www.opentox.org/api/1.1#ChemicalName
5-(4-fluorophenyl)-3-[(4-methylphenyl)carbonyl]-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
Fc1ccc(N2C(=O)C3ON=C(C(=O)c4ccc(C)cc4)C3C2=O)cc1
http://www.opentox.org/api/1.1#ChemicalName
5-(2,5-dichlorophenyl)-3-[(4-nitrophenyl)carbonyl]-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(Cl)c(N2C(=O)C3ON=C(C(=O)c4ccc([N+](=O)[O-])cc4)C3C2=O)c1
http://www.opentox.org/api/1.1#ChemicalName
5-(4-chlorophenyl)-3-(phenylcarbonyl)-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(N2C(=O)C3ON=C(C(=O)c4ccccc4)C3C2=O)cc1
http://www.opentox.org/api/1.1#ChemicalName
5-(4-fluorophenyl)-3-(phenylcarbonyl)-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
Fc1ccc(N2C(=O)C3ON=C(C(=O)c4ccccc4)C3C2=O)cc1
http://www.opentox.org/api/1.1#ChemicalName
5-(4-methoxyphenyl)-3-[(4-methylphenyl)carbonyl]-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
O=C1N(C(=O)C2C(=NOC12)C(=O)c1ccc(C)cc1)c1ccc(OC)cc1
http://www.opentox.org/api/1.1#ChemicalName
5-(2,5-dichlorophenyl)-3-[(4-methylphenyl)carbonyl]-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(Cl)c(N2C(=O)C3ON=C(C(=O)c4ccc(C)cc4)C3C2=O)c1
http://www.opentox.org/api/1.1#ChemicalName
4-{3-[(4-methylphenyl)carbonyl]-4,6-dioxo-3a,4,6,6a-tetrahydro-5h-pyrrolo[3,4-d]isoxazol-5-yl}benzoic acid
http://www.opentox.org/api/1.1#SMILES
O=C1N(C(=O)C2C(=NOC12)C(=O)c1ccc(C)cc1)c1ccc(cc1)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
5-(4-chlorophenyl)-3-[(4-chlorophenyl)carbonyl]-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(N2C(=O)C3ON=C(C(=O)c4ccc(Cl)cc4)C3C2=O)cc1
http://www.opentox.org/api/1.1#ChemicalName
5-(4-hydroxyphenyl)-3-[(4-nitrophenyl)carbonyl]-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])c1ccc(cc1)C(=O)C1=NOC2C(=O)N(C(=O)C12)c1ccc(O)cc1
http://www.opentox.org/api/1.1#ChemicalName
5-(4-fluorophenyl)-1-phenyl-3-(phenylcarbonyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1h,5h)-dione
http://www.opentox.org/api/1.1#SMILES
Fc1ccc(N2C(=O)C3N(N=C(C(=O)c4ccccc4)C3C2=O)c2ccccc2)cc1
http://www.opentox.org/api/1.1#ChemicalName
5-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)carbonyl]-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1h,5h)-dione
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(Cl)c(N2C(=O)C3N(N=C(C(=O)c4ccc(OC)cc4)C3C2=O)c2ccccc2)c1
http://www.opentox.org/api/1.1#ChemicalName
5-(4-bromophenyl)-3-[(4-chlorophenyl)carbonyl]-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1h,5h)-dione
http://www.opentox.org/api/1.1#SMILES
Brc1ccc(N2C(=O)C3N(N=C(C(=O)c4ccc(Cl)cc4)C3C2=O)c2ccccc2)cc1
http://www.opentox.org/api/1.1#ChemicalName
4-{3-[(4-chlorophenyl)carbonyl]-4,6-dioxo-1-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrazol-5(1h)-yl}benzoic acid
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(cc1)C(=O)C1=NN(c2ccccc2)C2C(=O)N(C(=O)C12)c1ccc(cc1)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
3-[(4-methylphenyl)carbonyl]-5-(3-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1h,5h)-dione
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])c1cccc(N2C(=O)C3N(N=C(C(=O)c4ccc(C)cc4)C3C2=O)c2ccccc2)c1
http://www.opentox.org/api/1.1#ChemicalName
3-[(4-bromophenyl)carbonyl]-5-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1h,5h)-dione
http://www.opentox.org/api/1.1#SMILES
Brc1ccc(cc1)C(=O)C1=NN(c2ccccc2)C2C(=O)N(C(=O)C12)c1ccc([N+](=O)[O-])cc1
http://www.opentox.org/api/1.1#ChemicalName
5-(4-chlorophenyl)-3-(naphthalen-2-ylcarbonyl)-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(N2C(=O)C3ON=C(C(=O)c4ccc5ccccc5c4)C3C2=O)cc1
http://www.opentox.org/api/1.1#ChemicalName
5-(4-hydroxyphenyl)-3-(phenylcarbonyl)-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
O=C1N(C(=O)C2C(=NOC12)C(=O)c1ccccc1)c1ccc(O)cc1
http://www.opentox.org/api/1.1#ChemicalName
3-[(4-chlorophenyl)carbonyl]-5-(2-nitrophenyl)-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(cc1)C(=O)C1=NOC2C(=O)N(C(=O)C12)c1ccccc1[N+](=O)[O-]
http://www.opentox.org/api/1.1#ChemicalName
7-(4-chlorophenyl)-10,10-dimethyl-7,10,11,12-tetrahydrobenzo[c]acridin-8(9h)-one
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(cc1)C1c2ccc3ccccc3c2NC=2CC(C)(C)CC(=O)C=21
http://www.opentox.org/api/1.1#ChemicalName
3,3-dimethyl-4-phenyl-3,4,5,6,7,8-hexahydro-2h-chromen-2-one
http://www.opentox.org/api/1.1#SMILES
O=C1OC=2CCCCC=2C(c2ccccc2)C1(C)C
http://www.opentox.org/api/1.1#ChemicalName
4-ethyl-8-methoxy-3,3-dimethyl-3,4,5,6-tetrahydro-2h-benzo[h]chromen-2-one
http://www.opentox.org/api/1.1#SMILES
O=C1OC=2c3ccc(OC)cc3CCC=2C(CC)C1(C)C
http://www.opentox.org/api/1.1#ChemicalName
3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2-dimethylpentanoic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C(C)(C)C(CC)C1CCc2cc(O)ccc2C1
http://www.opentox.org/api/1.1#ChemicalName
8-methoxy-3,3-dimethyl-4-propyl-3,4,5,6-tetrahydro-2h-benzo[h]chromen-2-one
http://www.opentox.org/api/1.1#SMILES
O=C1OC=2c3ccc(OC)cc3CCC=2C(CCC)C1(C)C
http://www.opentox.org/api/1.1#ChemicalName
3-(4-methoxyphenyl)-2,2-dimethylhexanedioic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)CCC(c1ccc(OC)cc1)C(C)(C)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
ethyl 8-methoxy-2-oxo-5,6-dihydro-2h-benzo[h]chromene-3-carboxylate
http://www.opentox.org/api/1.1#SMILES
O=C1OC2=C(C=C1C(=O)OCC)CCc1cc(OC)ccc12
http://www.opentox.org/api/1.1#ChemicalName
3-(3-methoxyphenyl)-2,2-dimethylhexanedioic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)CCC(c1cccc(OC)c1)C(C)(C)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
2-amino-4-phenyl-5,6,7,8-tetrahydro-4h-chromen-3-carbonitril
http://www.opentox.org/api/1.1#SMILES
O1C(N)=C(C#N)C(c2ccccc2)C=2CCCCC1=2
http://www.opentox.org/api/1.1#ChemicalName
3'-amino-2-oxo-1,2,5',6',7',8'-hexahydrospiro[indole-3,1'-isochromene]-4'-carbonitrile
http://www.opentox.org/api/1.1#SMILES
O=C1Nc2ccccc2C21OC(N)=C(C#N)C=1CCCCC=12
http://www.opentox.org/api/1.1#ChemicalName
4-(4-tert-butylphenyl)-5'-methoxy-1',3'-dihydrospiro[cyclohexane-1,2'-indene]-1',4-diol
http://www.opentox.org/api/1.1#SMILES
OC1c2ccc(OC)cc2CC21CCC(O)(CC2)c1ccc(cc1)C(C)(C)C
http://www.opentox.org/api/1.1#ChemicalName
4-(4-tert-butylphenyl)-1',3'-dihydrospiro[cyclohexane-1,2'-inden]-5'-yl methyl ether
http://www.opentox.org/api/1.1#SMILES
O(C)c1ccc2CC3(CCC(CC3)c3ccc(cc3)C(C)(C)C)Cc2c1
http://www.opentox.org/api/1.1#ChemicalName
4-(4-tert-butylphenyl)-5'-methoxyspiro[cyclohexane-1,2'-inden]-1'(3'h)-one
http://www.opentox.org/api/1.1#SMILES
O=C1c2ccc(OC)cc2CC21CCC(CC2)c1ccc(cc1)C(C)(C)C
http://www.opentox.org/api/1.1#ChemicalName
7-(4-bromophenyl)-9-ethoxy-6h,7h-chromeno[3',4':5,6]pyrano[2,3-b]pyridine-6,8,10(9h,11h)-trione
http://www.opentox.org/api/1.1#SMILES
Brc1ccc(cc1)C1C=2C(=O)Oc3ccccc3C=2OC=2NC(=O)C(OCC)C(=O)C=21
http://www.opentox.org/api/1.1#ChemicalName
7-(4-bromophenyl)-9-[(4-bromophenyl)carbonyl]-9,10-dihydro-6h-chromeno[3',4':5,6]pyrano[2,3-b]pyrrole-6,8(7h)-dione
http://www.opentox.org/api/1.1#SMILES
Brc1ccc(cc1)C(=O)C1NC=2OC=3c4ccccc4OC(=O)C=3C(C=2C1=O)c1ccc(Br)cc1
http://www.opentox.org/api/1.1#ChemicalName
2-amino-4-(4-bromophenyl)-n-phenyl-4a,9b-dihydro-4h-pyrano[3,2-b][1]benzofuran-3-carboxamide
http://www.opentox.org/api/1.1#SMILES
Brc1ccc(cc1)C1C(=C(OC2c3ccccc3OC21)N)C(=O)Nc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
4-(4-tert-butylphenyl)-1',3'-dihydrospiro[cyclohexane-1,2'-inden]-5'-ol
http://www.opentox.org/api/1.1#SMILES
Oc1ccc2CC3(CCC(CC3)c3ccc(cc3)C(C)(C)C)Cc2c1
http://www.opentox.org/api/1.1#ChemicalName
methyl 4-(4-tert-butylphenyl)-1',3'-dihydrospiro[cyclohexane-1,2'-indene]-5'-carboxylate
http://www.opentox.org/api/1.1#SMILES
O=C(OC)c1ccc2CC3(CCC(CC3)c3ccc(cc3)C(C)(C)C)Cc2c1
http://www.opentox.org/api/1.1#ChemicalName
3,3'-(5-methoxy-1-oxo-2,3-dihydro-1h-indene-2,2-diyl)dipropanoic acid
http://www.opentox.org/api/1.1#SMILES
O=C1c2ccc(OC)cc2CC1(CCC(=O)O)CCC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
5'-methoxy-1',4-dioxo-1',3'-dihydrospiro[cyclohexane-1,2'-indene]-3-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C1CCC2(CC1C(=O)O)Cc1cc(OC)ccc1C2=O
http://www.opentox.org/api/1.1#ChemicalName
4-(4-tert-butylphenyl)-4-hydroxy-5'-methoxyspiro[cyclohexane-1,2'-inden]-1'(3'h)-one
http://www.opentox.org/api/1.1#SMILES
O=C1c2ccc(OC)cc2CC21CCC(O)(CC2)c1ccc(cc1)C(C)(C)C
http://www.opentox.org/api/1.1#ChemicalName
ethyl 4-[2-({[4-(4-tert-butylphenyl)-1',3'-dihydrospiro[cyclohexane-1,2'-inden]-5'-yl]carbonyl}amino)phenoxy]butanoate
http://www.opentox.org/api/1.1#SMILES
O=C(OCC)CCCOc1ccccc1NC(=O)c1ccc2CC3(CCC(CC3)c3ccc(cc3)C(C)(C)C)Cc2c1
http://www.opentox.org/api/1.1#ChemicalName
2'-oxo-3-thioxo-1',2,2',3,4,5,6,7-octahydrospiro[cyclopenta[c]pyridine-1,3'-indole]-4-carbonitrile
http://www.opentox.org/api/1.1#SMILES
S=C1NC2(c3ccccc3NC2=O)C=2CCCC=2C1C#N
http://www.opentox.org/api/1.1#ChemicalName
2-oxo-3'-thioxo-1,2,3',4',5',6',7',8'-octahydro-2'h-spiro[indole-3,1'-isoquinoline]-4'-carbonitrile
http://www.opentox.org/api/1.1#SMILES
S=C1NC2(c3ccccc3NC2=O)C=2CCCCC=2C1C#N
http://www.opentox.org/api/1.1#ChemicalName
3-hydroxy-3-(2-oxocyclopentyl)-1,3-dihydro-2h-indol-2-one
http://www.opentox.org/api/1.1#SMILES
O=C1CCCC1C1(O)c2ccccc2NC1=O
http://www.opentox.org/api/1.1#ChemicalName
4-[2-({[4-(4-tert-butylphenyl)-1',3'-dihydrospiro[cyclohexane-1,2'-inden]-5'-yl]carbonyl}amino)phenoxy]butanoic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)CCCOc1ccccc1NC(=O)c1ccc2CC3(CCC(CC3)c3ccc(cc3)C(C)(C)C)Cc2c1
http://www.opentox.org/api/1.1#ChemicalName
2-phenyl-4a,5,9b,10-tetrahydro-1h-5,10-epoxyindeno[1',2':4,5]pyrazolo[1,2-a][1,2,4]triazole-1,3(2h)-dione
http://www.opentox.org/api/1.1#SMILES
O=C1N2N(C(=O)N1c1ccccc1)C1C3OC2C1c1ccccc13
http://www.opentox.org/api/1.1#ChemicalName
benzamide, 3,5-dinitro-n-(4-phenylbutyl)-
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])cc(c1)C(=O)NCCCCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
2-[(4-phenylbutyl)amino]naphthalene-1,4-dione
http://www.opentox.org/api/1.1#SMILES
O=C1C=C(NCCCCc2ccccc2)C(=O)c2ccccc12
http://www.opentox.org/api/1.1#ChemicalName
(s)-3-(boc-amino)-4-phenylbutyric acid
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
4-n-butylbiphenyl
http://www.opentox.org/api/1.1#SMILES
CCCCc1ccc(cc1)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
4-n-butylbenzamide
http://www.opentox.org/api/1.1#SMILES
CCCCc1ccc(cc1)C(=O)N
http://www.opentox.org/api/1.1#ChemicalName
4-n-decylbiphenyl
http://www.opentox.org/api/1.1#SMILES
CCCCCCCCCCc1ccc(cc1)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
rhynchophylline
http://www.opentox.org/api/1.1#SMILES
O=C(OC)C(=COC)/C4CC1N(CCC12c3ccccc3NC2=O)CC4CC
http://www.opentox.org/api/1.1#ChemicalName
vamicamide
http://www.opentox.org/api/1.1#SMILES
CC(CC(C(N)=O)(c1ccccc1)c2ccccn2)N(C)C
http://www.opentox.org/api/1.1#ChemicalName
3-hydroxy-5-phenyl-2-cyclohexen-1-one
http://www.opentox.org/api/1.1#SMILES
c1ccc(cc1)C2CC(=CC(=O)C2)O
http://www.opentox.org/api/1.1#ChemicalName
moxestrol
http://www.opentox.org/api/1.1#SMILES
COC3CC1(C)C(CCC1(O)C#C)C4CCc2cc(O)ccc2C34
http://www.opentox.org/api/1.1#ChemicalName
10,10a-dihydroanthracen-9(8ah)-one
http://www.opentox.org/api/1.1#SMILES
O=C1c2ccccc2CC2C=CC=CC12
http://www.opentox.org/api/1.1#ChemicalName
6-(2-aminophenyl)-2-methyl-5-nitro-4-phenyltetrahydro-2h-pyran-2-ol
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])C1C(OC(O)(C)CC1c1ccccc1)c1ccccc1N
http://www.opentox.org/api/1.1#ChemicalName
1,2-di(3-indenyl)ethane
http://www.opentox.org/api/1.1#SMILES
c1ccc2c(c1)CC=C2CCC3=CCc4c3cccc4
http://www.opentox.org/api/1.1#ChemicalName
5-methyl-2-(2,4,4,7-tetramethyl-3,4-dihydro-2h-chromen-2-yl)phenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
http://www.opentox.org/api/1.1#SMILES
O=C1OC2(CCC1(C)C2(C)C)C(=O)Oc1cc(C)ccc1C1(Oc2cc(C)ccc2C(C)(C)C1)C
http://www.opentox.org/api/1.1#ChemicalName
8-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
COc1cccc2c1CC(CC2)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
sumatrol
http://www.opentox.org/api/1.1#SMILES
C=C(C)C2Oc3cc(O)c1C(=O)C4c5cc(OC)c(OC)cc5OCC4Oc1c3C2
http://www.opentox.org/api/1.1#ChemicalName
l-proline, 1-[n-(1-carboxy-3-phenylpropyl)-l-ala
http://www.opentox.org/api/1.1#SMILES
OC(=O)C2CCCN2C(=O)C(C)NC(CCc1ccccc1)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
2-amino-3-methyl-1,1-diphenylbutan-1-ol
http://www.opentox.org/api/1.1#SMILES
OC(c1ccccc1)(c1ccccc1)C(N)C(C)C
http://www.opentox.org/api/1.1#ChemicalName
9-phenyl-1,4,5,6,7,8-hexahydro-1,4-(epoxymethano)naphthalene-2,2,3,3-tetracarbonitrile
http://www.opentox.org/api/1.1#SMILES
O1C(c2ccccc2)C2C=3CCCCC=3C1C(C#N)(C#N)C2(C#N)C#N
http://www.opentox.org/api/1.1#ChemicalName
4a,9,9a,10-tetrahydroanthracene-1,4-dione
http://www.opentox.org/api/1.1#SMILES
O=C1C=CC(=O)C2Cc3ccccc3CC12
http://www.opentox.org/api/1.1#ChemicalName
estradiol mustard
http://www.opentox.org/api/1.1#SMILES
ClCCN(CCCl)c1ccc(cc1)CC(=O)Oc5cc6CCC4C(CCC3(C)C4CCC3OC(=O)Cc2ccc(cc2)N(CCCl)CCCl)c6cc5
http://www.opentox.org/api/1.1#ChemicalName
3-(4-methoxyphenyl)androst-2-en-17-yl acetate
http://www.opentox.org/api/1.1#SMILES
O=C(OC1CCC2C3CCC4CC(=CCC4(C)C3CCC21C)c1ccc(OC)cc1)C
http://www.opentox.org/api/1.1#ChemicalName
3-(2-{[tert-butyl(dimethyl)silyl]oxy}propyl)-2-(trimethylsilyl)-9a,12a-dihydro-1h-benzo[h]furo[2',3':4,5]furo[3,2-f]chromene-1,11(10h)-dione
http://www.opentox.org/api/1.1#SMILES
[Si](C)(C)(C)C1=C(Oc2c3ccccc3c3OC4CC(=O)OC4c3c2C1=O)CC(O[Si](C)(C)C(C)(C)C)C
http://www.opentox.org/api/1.1#ChemicalName
3-(1-methylethyl)-1,4-diphenylazetidin-2-one
http://www.opentox.org/api/1.1#SMILES
O=C1N(c2ccccc2)C(c2ccccc2)C1C(C)C
http://www.opentox.org/api/1.1#ChemicalName
6,11,12,14,16-pentahydroxyabieta-5,8,11,13-tetraen-7-one
http://www.opentox.org/api/1.1#SMILES
O=C1C(O)=C2C(C)(C)CCCC2(C)c2c(O)c(O)c(c(O)c12)C(C)CO
http://www.opentox.org/api/1.1#ChemicalName
4-n-butylbenzeneboronic acid
http://www.opentox.org/api/1.1#SMILES
B(c1ccc(cc1)CCCC)(O)O
http://www.opentox.org/api/1.1#ChemicalName
1-(hydroxymethyl)-1-methyl-2,3,4,4a,9,9a-hexahydro-1h-beta-carboline-3-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C1NC(C)(CO)C2Nc3ccccc3C2C1
http://www.opentox.org/api/1.1#ChemicalName
methyl 3-[bis(methylsulfanyl)methyl]-4-cyano-2-hydroxy-2,5-diphenylcyclopent-3-ene-1-carboxylate
http://www.opentox.org/api/1.1#SMILES
S(C)C(SC)C1=C(C#N)C(c2ccccc2)C(C(=O)OC)C1(O)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
2-methyl-5-nitro-4-phenyl-1,2,3,4,5,6-hexahydro-2,6-epoxy-1-benzazocine
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])C1C2OC(Nc3ccccc32)(C)CC1c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
3,4,4a,5,6,10b-hexahydro-2h-benzo[h]chromen-2-one
http://www.opentox.org/api/1.1#SMILES
O=C1OC2c3ccccc3CCC2CC1
http://www.opentox.org/api/1.1#ChemicalName
2-hydroxy-4a,6a,9,9-tetramethyl-10-phenyl-2,3,4,4a,4b,5,6,6a,9,10,11,11a,11b,12-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]pyran-8(1h)-one
http://www.opentox.org/api/1.1#SMILES
O=C1OC2=C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)C(c2ccccc2)C1(C)C
http://www.opentox.org/api/1.1#ChemicalName
tephrosin
http://www.opentox.org/api/1.1#SMILES
COc1cc3c(cc1OC)OCC4Oc2c5C=CC(C)(C)Oc5ccc2C(=O)C34O
http://www.opentox.org/api/1.1#ChemicalName
3-(2-{[tert-butyl(dimethyl)silyl]oxy}propyl)-9a,12a-dihydro-1h-benzo[h]furo[2',3':4,5]furo[3,2-f]chromene-1,11(10h)-dione
http://www.opentox.org/api/1.1#SMILES
[Si](OC(C)CC=1Oc2c3ccccc3c3OC4CC(=O)OC4c3c2C(=O)C=1)(C)(C)C(C)(C)C
http://www.opentox.org/api/1.1#ChemicalName
4-cyclohexylbenzeneboronic acid
http://www.opentox.org/api/1.1#SMILES
B(c1ccc(cc1)C2CCCCC2)(O)O
http://www.opentox.org/api/1.1#ChemicalName
4-n-pentylbenzeneboronic acid
http://www.opentox.org/api/1.1#SMILES
B(c1ccc(cc1)CCCCC)(O)O
http://www.opentox.org/api/1.1#ChemicalName
4-n-nonylbenzeneboronic acid
http://www.opentox.org/api/1.1#SMILES
B(c1ccc(cc1)CCCCCCCCC)(O)O
http://www.opentox.org/api/1.1#ChemicalName
5,5a,6a,7,12,12a,13a,14-octahydropentacene-6,13-dione
http://www.opentox.org/api/1.1#SMILES
O=C1C2Cc3ccccc3CC2C(=O)C2Cc3ccccc3CC12
http://www.opentox.org/api/1.1#ChemicalName
ezetimibe
http://www.opentox.org/api/1.1#SMILES
Fc1ccc(cc1)C(O)CCC3C(=O)N(c2ccc(F)cc2)C3c4ccc(O)cc4
http://www.opentox.org/api/1.1#ChemicalName
3-(2-{[tert-butyl(dimethyl)silyl]oxy}propyl)-2,3,9a,12a-tetrahydro-1h-benzo[h]furo[2',3':4,5]furo[3,2-f]chromene-1,11(10h)-dione
http://www.opentox.org/api/1.1#SMILES
[Si](OC(C)CC1Oc2c3ccccc3c3OC4CC(=O)OC4c3c2C(=O)C1)(C)(C)C(C)(C)C
http://www.opentox.org/api/1.1#ChemicalName
1,8-dimethyl-3-phenyl-2-oxabicyclo[2.2.2]oct-7-ene-5,5,6,6-tetracarbonitrile
http://www.opentox.org/api/1.1#SMILES
O1C(c2ccccc2)C2C(C)=CC1(C)C(C#N)(C#N)C2(C#N)C#N
http://www.opentox.org/api/1.1#ChemicalName
tabernanthine
http://www.opentox.org/api/1.1#SMILES
COc4cc5nc1c(CCN3CC2CC1C3C(C2)CC)c5cc4
http://www.opentox.org/api/1.1#ChemicalName
1-methyl-2,3,4,4a,9,9a-hexahydro-1h-beta-carboline-3-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)C1NC(C)C2Nc3ccccc3C2C1
http://www.opentox.org/api/1.1#ChemicalName
11,12,14,16-tetrahydroxyabieta-8,11,13-triene-6,7-dione
http://www.opentox.org/api/1.1#SMILES
O=C1c2c(O)c(c(O)c(O)c2C2(C)CCCC(C)(C)C2C1=O)C(C)CO
http://www.opentox.org/api/1.1#ChemicalName
thebainone
http://www.opentox.org/api/1.1#SMILES
O=C3C=CC4C2Cc1ccc(OC)c(O)c1C4(CCN2C)C3
http://www.opentox.org/api/1.1#ChemicalName
2-indanylacetic acid
http://www.opentox.org/api/1.1#SMILES
c1ccc2c(c1)CC(C2)CC(=O)O
http://www.opentox.org/api/1.1#ChemicalName
5a,11a-dihydroxy-6'-methyl-3a,5',5a,6',11a,11b-hexahydrospiro[benzo[g]furo[3,2-c]isochromene-5,2'-pyran]-2,6,11(3h)-trione
http://www.opentox.org/api/1.1#SMILES
O=C1c2ccccc2C(=O)C2(O)C3(OC4CC(=O)OC4C12O)OC(C)CC=C3
http://www.opentox.org/api/1.1#ChemicalName
methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-{[(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}yohimban-16-carboxylate
http://www.opentox.org/api/1.1#SMILES
COc1cc(cc(OC)c1OC)/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
http://www.opentox.org/api/1.1#CASRN
52-28-8
http://www.opentox.org/api/1.1#ChemicalName
(5alpha,6alpha)-3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol
codeine
http://www.opentox.org/api/1.1#SMILES
COc1ccc2C[C@H]4N(C)CC[C@@]35C(Oc1c23)C(O)C=C[C@@H]45
COc1ccc2C[C@H]4N(C)CC[C@@]35[C@@H](Oc1c23)[C@@H](O)C=C[C@@H]45
http://www.opentox.org/api/1.1#ChemicalName
hydrocodone
http://www.opentox.org/api/1.1#SMILES
O=C1CC[C@H]5[C@H]2Cc4ccc(OC)c3O[C@@H]1[C@]5(CCN2C)c34
http://www.opentox.org/api/1.1#ChemicalName
nalmefene
http://www.opentox.org/api/1.1#SMILES
C=C1CC[C@@]6(O)[C@H]3Cc5ccc(O)c4O[C@@H]1[C@]6(CCN3CC2CC2)c45
http://www.opentox.org/api/1.1#ChemicalName
naloxone
http://www.opentox.org/api/1.1#SMILES
O=C1CC[C@@]5(O)[C@H]2Cc4ccc(O)c3O[C@@H]1[C@]5(CCN2CC=C)c34
http://www.opentox.org/api/1.1#ChemicalName
vitamin k1
http://www.opentox.org/api/1.1#SMILES
CC(C)CCCC(C)CCCC(C)CCCC(/C)=CCC2=C(C)C(=O)c1ccccc1C2=O
CC1=C(C(=O)c2ccccc2C1=O)C/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C
http://www.opentox.org/api/1.1#ChemicalName
ttnpb
http://www.opentox.org/api/1.1#SMILES
O=C(O)c1ccc(cc1)C=C(/C)c2ccc3c(c2)C(C)(C)CCC3(C)C
http://www.opentox.org/api/1.1#ChemicalName
demeclocycline
http://www.opentox.org/api/1.1#SMILES
NC(O)=C3/C(=O)[C@@]2(O)C(=O)C4=C(O)c1c(c(Cl)ccc1O)[C@@H](O)[C@H]4C[C@H]2[C@@H](C3=O)N(C)C
http://www.opentox.org/api/1.1#ChemicalName
dionine
ethylmorphine
http://www.opentox.org/api/1.1#SMILES
CCOc1ccc2C[C@H]5N(C)CC[C@@]43C5C=CC(O)C4Oc1c23
CCOc5ccc1C[C@H]2N(C)CC[C@@]34c1c5O[C@H]4[C@@H](O)C=C[C@@H]23
http://www.opentox.org/api/1.1#ChemicalName
dihydromorphine
http://www.opentox.org/api/1.1#SMILES
Oc5ccc1C[C@H]2N(C)CC[C@@]34c1c5O[C@H]4[C@@H](O)CC[C@@H]23
http://www.opentox.org/api/1.1#ChemicalName
naltrexone
http://www.opentox.org/api/1.1#SMILES
O=C1CC[C@@]6(O)[C@H]3Cc5ccc(O)c4OC1[C@]6(CCN3CC2CC2)c45
O=C1CC[C@@]6(O)[C@H]3Cc5ccc(O)c4O[C@@H]1[C@]6(CCN3CC2CC2)c45
http://www.opentox.org/api/1.1#ChemicalName
fluvoxamine
http://www.opentox.org/api/1.1#SMILES
FC(F)(F)c1ccc(cc1)C(/CCCCOC)=NOCCN
http://www.opentox.org/api/1.1#ChemicalName
enalapril
http://www.opentox.org/api/1.1#SMILES
OC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N[C@H](CCc1ccccc1)C(=O)OCC
http://www.opentox.org/api/1.1#ChemicalName
indinavir
http://www.opentox.org/api/1.1#SMILES
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
http://www.opentox.org/api/1.1#ChemicalName
2-diphacetyl-1,3indandione-1hydrazone
http://www.opentox.org/api/1.1#SMILES
NN=C2/c1ccccc1C(=O)C2C(=O)C(c3ccccc3)c4ccccc4
http://www.opentox.org/api/1.1#ChemicalName
mitragynine
http://www.opentox.org/api/1.1#SMILES
O=C(OC)C(=COC)/C2CC3c4nc1cccc(OC)c1c4CCN3CC2CC
http://www.opentox.org/api/1.1#ChemicalName
heroin
http://www.opentox.org/api/1.1#SMILES
CC(=O)Oc1ccc2C[C@H]4[N@@](C)CC[C@@]35C(Oc1c23)C(C=C[C@@H]45)OC(C)=O
CC(=O)Oc5ccc1C[C@H]2N(C)CC[C@@]34c1c5O[C@H]4[C@H](C=C[C@@H]23)OC(C)=O
http://www.opentox.org/api/1.1#ChemicalName
ximoprofen
http://www.opentox.org/api/1.1#SMILES
CC(C(O)=O)c1ccc(cc1)C2CCCC(C2)=NO
O=C(O)C(C)c1ccc(cc1)C2CC(CCC2)=NO
http://www.opentox.org/api/1.1#CASRN
87679-37-6
http://www.opentox.org/api/1.1#ChemicalName
trandolapril
http://www.opentox.org/api/1.1#SMILES
O=C(OCC)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@@H](C[C@H]3CCCC[C@H]23)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
(1e)-1-[1-(1h-inden-2-yl)ethylidene]-2-phenylhydrazine
http://www.opentox.org/api/1.1#SMILES
N(Nc1ccccc1)=C(C)C1=Cc2ccccc2C1
http://www.opentox.org/api/1.1#ChemicalName
(1e)-3-oxo-5-phenylpent-1-en-1-yl benzoate
http://www.opentox.org/api/1.1#SMILES
O=C(C=COC(=O)c1ccccc1)CCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
(1e)-1-hydroxy-5-phenylpent-1-en-3-one
http://www.opentox.org/api/1.1#SMILES
O=C(C=CO)CCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
2(1h)-quinazolinethione, 3,4,5,6,7,8-hexahydro-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylene]-, (8e)-
http://www.opentox.org/api/1.1#SMILES
S=C1NC=2C(=Cc3ccc(OC)cc3)CCCC=2C(N1)c1ccc(OC)cc1
http://www.opentox.org/api/1.1#ChemicalName
(8e)-3,3-dimethyl-4-phenyl-8-(phenylmethylidene)-3,4,5,6,7,8-hexahydro-2h-chromen-2-one
http://www.opentox.org/api/1.1#SMILES
O=C1OC=2C(=Cc3ccccc3)CCCC=2C(c2ccccc2)C1(C)C
http://www.opentox.org/api/1.1#ChemicalName
(2e)-6-methoxy-8-methyl-2-(phenylmethylidene)-3,4-dihydronaphthalen-1(2h)-one
http://www.opentox.org/api/1.1#SMILES
O=C1C(=Cc2ccccc2)CCc2cc(OC)cc(C)c21
http://www.opentox.org/api/1.1#ChemicalName
(3e)-3-benzyl-4-(phenylamino)but-3-en-2-one
http://www.opentox.org/api/1.1#SMILES
O=C(C)C(=CNc1ccccc1)Cc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
(2e)-3-[(4-methylphenyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-one
http://www.opentox.org/api/1.1#SMILES
O=C(C=CNc1ccc(C)cc1)c1ccc2CCCCc2c1
http://www.opentox.org/api/1.1#ChemicalName
(2e)-3-(phenylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-one
http://www.opentox.org/api/1.1#SMILES
O=C(C=CNc1ccccc1)c1ccc2CCCCc2c1
http://www.opentox.org/api/1.1#ChemicalName
(1z)-1-[2-cyclohexyl-1-(4-methoxyphenyl)butylidene]-2-(2,4-dinitrophenyl)hydrazine
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])c1ccc(NN=C(c2ccc(OC)cc2)C(CC)C2CCCCC2)c([N+](=O)[O-])c1
http://www.opentox.org/api/1.1#ChemicalName
(2e)-4-methyl-1-phenylpentan-2-one semicarbazone
http://www.opentox.org/api/1.1#SMILES
O=C(N)NN=C(Cc1ccccc1)CC(C)C
http://www.opentox.org/api/1.1#ChemicalName
(1e)-1-[4-(dimethylamino)phenyl]-5-phenylpent-1-en-3-one
http://www.opentox.org/api/1.1#SMILES
O=C(C=Cc1ccc(N(C)C)cc1)CCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
(2z)-3-methyl-4-phenylbutan-2-one semicarbazone
http://www.opentox.org/api/1.1#SMILES
O=C(N)NN=C(C)C(C)Cc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
(3e)-1,4-diphenyl-3-(phenylhydrazono)butan-2-one
http://www.opentox.org/api/1.1#SMILES
O=C(Cc1ccccc1)C(=NNc1ccccc1)Cc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
(1e)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one
http://www.opentox.org/api/1.1#SMILES
O=C(C=Cc1ccccc1)CC(C)c1ccc(C)cc1
http://www.opentox.org/api/1.1#ChemicalName
(1e)-3,6-dimethyl-2,3-dihydro-1h-inden-1-one semicarbazone
http://www.opentox.org/api/1.1#SMILES
O=C(N)NN=C1CC(C)c2ccc(C)cc21
http://www.opentox.org/api/1.1#ChemicalName
(3e)-6-phenylhexan-3-one semicarbazone
http://www.opentox.org/api/1.1#SMILES
O=C(N)NN=C(CC)CCCc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
(3e)-3-benzyl-4-[(4-methylphenyl)amino]but-3-en-2-one
http://www.opentox.org/api/1.1#SMILES
O=C(C)C(=CNc1ccc(C)cc1)Cc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
(2e)-3-[hydroxy(phenyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-one
http://www.opentox.org/api/1.1#SMILES
O=C(C=CN(O)c1ccccc1)c1ccc2CCCCc2c1
http://www.opentox.org/api/1.1#ChemicalName
plicamycin
http://www.opentox.org/api/1.1#SMILES
C[C@@H](O)[C@H](O)C(=O)[C@@H](OC)[C@@H]6Cc7cc8cc(OC2CC(OC1CC(O)C(O)C(C)O1)C(O)C(C)O2)c(C)c(O)c8c(O)c7C(=O)[C@H]6OC5CC(OC4CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O4)C(O)C(C)O5
http://www.opentox.org/api/1.1#ChemicalName
(1e)-1,4-diphenylbutane-1,2-dione 1-oxime
http://www.opentox.org/api/1.1#SMILES
O=C(CCc1ccccc1)C(=NO)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
cyclosulfamuron
http://www.opentox.org/api/1.1#SMILES
O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)Nc3ccccc3C(=O)C2CC2
http://www.opentox.org/api/1.1#ChemicalName
(4e)-4-[(2-methoxy-5-nitrophenyl)hydrazono]-n-(3-nitrophenyl)-3-oxo-3,4-dihydronaphthalene-2-carboxamide
http://www.opentox.org/api/1.1#SMILES
[O-][N+](=O)c1cccc(c1)NC(=O)C4=Cc2ccccc2/C(=NNc3cc(ccc3OC)[N+]([O-])=O)C4=O
http://www.opentox.org/api/1.1#ChemicalName
(1z)-1-[(2e)-1-benzyl-3-phenyl-2-(phenylhydrazono)propylidene]-2-phenylhydrazine
http://www.opentox.org/api/1.1#SMILES
N(Nc1ccccc1)=C(Cc1ccccc1)C(=NNc1ccccc1)Cc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
(1z)-1-{(2e)-1-benzyl-2-[(4-nitrophenyl)hydrazono]-3-phenylpropylidene}-2-(4-nitrophenyl)hydrazine
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])c1ccc(NN=C(Cc2ccccc2)C(=NNc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)cc1
http://www.opentox.org/api/1.1#ChemicalName
flucycloxuron
http://www.opentox.org/api/1.1#SMILES
Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(cc2)CON=C(c3ccc(Cl)cc3)C4CC4
http://www.opentox.org/api/1.1#ChemicalName
griseofulvin
http://www.opentox.org/api/1.1#SMILES
O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC
http://www.opentox.org/api/1.1#ChemicalName
1-phenyl-1,2,3-butanetrione 2-oxime
http://www.opentox.org/api/1.1#SMILES
CC(=O)C(=NO)C(=O)c1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
(5z,7e)-5,7-bis(phenylmethylidene)-5,5a,6a,7,11b,11c-hexahydrodiindeno[2,1-b:1',2'-d]furan
http://www.opentox.org/api/1.1#SMILES
O1C2C(=Cc3ccccc3)c3ccccc3C2C2c3ccccc3C(=Cc3ccccc3)C12
http://www.opentox.org/api/1.1#ChemicalName
5-(4-hydroxyphenyl)pentanoic acid
http://www.opentox.org/api/1.1#SMILES
c1cc(ccc1CCCCC(=O)O)O
http://www.opentox.org/api/1.1#ChemicalName
(s)-2-(boc-amino)-4-phenylbutyric acid
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
2-cyclohexylbenzoic acid
http://www.opentox.org/api/1.1#SMILES
c1ccc(c(c1)C2CCCCC2)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
(2e)-2-[4-(2-methyl-1,2,3,4-tetrahydroquinolin-7-yl)butan-2-ylidene]hydrazinecarboxamide
http://www.opentox.org/api/1.1#SMILES
O=C(N)NN=C(C)CCc1ccc2CCC(Nc2c1)C
http://www.opentox.org/api/1.1#ChemicalName
(2e)-2-(4-methyl-3-oxo-5-phenylpentan-2-ylidene)hydrazinecarboxamide
http://www.opentox.org/api/1.1#SMILES
O=C(N)NN=C(C)C(=O)C(C)Cc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
(2e)-2-[4-(4-methylphenyl)pentan-2-ylidene]hydrazinecarboxamide
http://www.opentox.org/api/1.1#SMILES
O=C(N)NN=C(C)CC(C)c1ccc(C)cc1
http://www.opentox.org/api/1.1#ChemicalName
diethyl (6r,12r)-6,12-diethoxy-6h,6bh-dibenzo[e,e']cyclobuta[1,2-c:3,4-c']bis[1,2]oxaphosphinine-6a,12a(12h,12bh)-dicarboxylate 6,12-dioxide
http://www.opentox.org/api/1.1#SMILES
[P+]1([O-])(Oc2ccccc2C2C1(C(=O)OCC)C1c3ccccc3O[P+]([O-])(OCC)C21C(=O)OCC)OCC
http://www.opentox.org/api/1.1#ChemicalName
diethyl (6r,12s)-2,8-dibromo-6,12-diethoxy-6h,6bh-dibenzo[e,e']cyclobuta[1,2-c:3,4-c']bis[1,2]oxaphosphinine-6a,12a(12h,12bh)-dicarboxylate 6,12-dioxide
http://www.opentox.org/api/1.1#SMILES
Brc1ccc2O[P+]([O-])(OCC)C3(C(=O)OCC)C(c2c1)C1([P+]([O-])(Oc2ccc(Br)cc2C31)OCC)C(=O)OCC
http://www.opentox.org/api/1.1#ChemicalName
diethyl (6r,12s)-2,8-dichloro-6,12-diethoxy-6h,6bh-dibenzo[e,e']cyclobuta[1,2-c:3,4-c']bis[1,2]oxaphosphinine-6a,12a(12h,12bh)-dicarboxylate 6,12-dioxide
http://www.opentox.org/api/1.1#SMILES
Clc1ccc2O[P+]([O-])(OCC)C3(C(=O)OCC)C(c2c1)C1([P+]([O-])(Oc2ccc(Cl)cc2C31)OCC)C(=O)OCC
http://www.opentox.org/api/1.1#ChemicalName
(3z)-3-[2-(4-nitrophenyl)hydrazinylidene]-1,4-diphenylbutan-2-one
http://www.opentox.org/api/1.1#SMILES
O=[N+]([O-])c1ccc(NN=C(Cc2ccccc2)C(=O)Cc2ccccc2)cc1
http://www.opentox.org/api/1.1#ChemicalName
codeine n-oxide
http://www.opentox.org/api/1.1#SMILES
COc1ccc2C[C@@H]3[C@@H]5C=C[C@H](O)[C@@H]4Oc1c2[C@@]45CC[N+]3(C)[O-]
http://www.opentox.org/api/1.1#ChemicalName
indanofan
http://www.opentox.org/api/1.1#SMILES
O=C4c1ccccc1C(=O)C4(CC)CC2(CO2)c3cccc(Cl)c3
http://www.opentox.org/api/1.1#ChemicalName
levorphanol
http://www.opentox.org/api/1.1#SMILES
Oc2ccc3C[C@@H]1C4CCCC[C@]4(CCN1C)c3c2
Oc3ccc4C[C@H]1N(C)CC[C@@]2(CCCC[C@@H]12)c4c3
http://www.opentox.org/api/1.1#ChemicalName
methyl (1s,2'r,7a's)-2-oxo-1',2',5',6',7',7a'-hexahydro-2h-spiro[acenaphthylene-1,3'-pyrrolizine]-2'-carboxylate
http://www.opentox.org/api/1.1#SMILES
O=C(OC)[C@H]4[C@]3(C(=O)c2c1c3cccc1ccc2)[N@@]5[C@H](C4)CCC5
http://www.opentox.org/api/1.1#ChemicalName
xibornol
http://www.opentox.org/api/1.1#SMILES
CC3(C)C1CCC3(C)C(C1)c2cc(C)c(C)cc2O
http://www.opentox.org/api/1.1#ChemicalName
harmaline
http://www.opentox.org/api/1.1#SMILES
COc1ccc3c(c1)nc2c3CCN=C2C
http://www.opentox.org/api/1.1#ChemicalName
tetracycline
http://www.opentox.org/api/1.1#SMILES
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
http://www.opentox.org/api/1.1#ChemicalName
desaspidin bb
http://www.opentox.org/api/1.1#SMILES
OC2=C(Cc1c(OC)cc(O)c(C(=O)CCC)c1O)C(=O)C(=C(O)C2(C)C)C(=O)CCC
http://www.opentox.org/api/1.1#ChemicalName
chanoclavine
http://www.opentox.org/api/1.1#SMILES
CC(CO)=CC1c3cccc2ncc(CC1NC)c23
http://www.opentox.org/api/1.1#ChemicalName
benzenemethanol, 3,4-dihydroxy-?-pentyl-
http://www.opentox.org/api/1.1#SMILES
Oc1ccc(cc1O)C(O)CCCCC
http://www.opentox.org/api/1.1#ChemicalName
benzenesulfonamide, 4-(4-hydroxybutyl)-
http://www.opentox.org/api/1.1#SMILES
O=S(N)(=O)c1ccc(CCCCO)cc1
http://www.opentox.org/api/1.1#ChemicalName
1,2,4-triazole,1-(4-butylbenzyl)-
http://www.opentox.org/api/1.1#SMILES
CCCCc2ccc(Cn1cncn1)cc2
http://www.opentox.org/api/1.1#ChemicalName
benzenesulfonamide, 4-(5-hydroxypentyl)-
http://www.opentox.org/api/1.1#SMILES
O=S(N)(=O)c1ccc(CCCCCO)cc1
http://www.opentox.org/api/1.1#ChemicalName
acetic acid, 5-[4-(aminosulfonyl)phenyl]pentyl e
http://www.opentox.org/api/1.1#SMILES
O=S(N)(=O)c1ccc(CCCCCOC(C)=O)cc1
http://www.opentox.org/api/1.1#ChemicalName
indoramin
http://www.opentox.org/api/1.1#SMILES
O=C(NC3CCN(CCc1cc2ccccc2n1)CC3)c4ccccc4
http://www.opentox.org/api/1.1#ChemicalName
cyclopenta[b]pyrrole-2-carboxylic acid, derivati
http://www.opentox.org/api/1.1#SMILES
O=C(O)C(CCc1ccccc1)NC(C)C(=O)N3C(CC2CCCC23)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
brodifacoum
http://www.opentox.org/api/1.1#SMILES
Brc1ccc(cc1)c2ccc(cc2)C4Cc3ccccc3C(C4)C5=C(O)c6ccccc6OC5=O
http://www.opentox.org/api/1.1#ChemicalName
aureomycin
chlortetracycline
http://www.opentox.org/api/1.1#SMILES
NC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2CC4C(=C(O)[C@]2(O)C1=O)C(=O)c3c(O)ccc(Cl)c3[C@@]4(C)O
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
http://www.opentox.org/api/1.1#ChemicalName
oxytetracycline
oxytetracylcine
http://www.opentox.org/api/1.1#SMILES
NC(=O)C=3C(=O)[C@@]4(O)C(O)=C2C(=O)c1c(O)cccc1[C@@](C)(O)C2[C@H](O)[C@H]4[C@@H](C=3O)N(C)C
NC(=O)C=4C(=O)[C@@]3(O)C(O)=C2C(=O)c1c(O)cccc1[C@@](C)(O)[C@H]2[C@H](O)[C@H]3[C@@H](C=4O)N(C)C
http://www.opentox.org/api/1.1#ChemicalName
paramorphine
http://www.opentox.org/api/1.1#SMILES
COC=1C=CC3[C@H]2Cc5ccc(OC)c4OC=1[C@]3(CCN2C)c45
http://www.opentox.org/api/1.1#ChemicalName
propoxyphene
http://www.opentox.org/api/1.1#SMILES
CN(C)CC(C)C(C(OC(=O)CC)c1ccccc1)c2ccccc2
http://www.opentox.org/api/1.1#ChemicalName
alpha-peltatin
http://www.opentox.org/api/1.1#SMILES
COc1cc(cc(OC)c1OC)C2c4cc5OCOc5c(O)c4CC3OC(=O)C23
http://www.opentox.org/api/1.1#ChemicalName
norbormide
http://www.opentox.org/api/1.1#SMILES
O=C5NC(=O)C4C1C(=CC(C/1=C(c2ccccc2)c3ccccn3)C45)C(O)(c6ccccc6)c7ccccn7
http://www.opentox.org/api/1.1#ChemicalName
l-tryptophan, n-acetyl, ethyl ester
http://www.opentox.org/api/1.1#SMILES
O=C(OCC)C(Cc2cnc1ccccc12)N(C)C=O
http://www.opentox.org/api/1.1#ChemicalName
ajmaline
http://www.opentox.org/api/1.1#SMILES
OCC32CC5CC4CC(C3N(C)c1ccccc12)N5C(O)C4CC
http://www.opentox.org/api/1.1#ChemicalName
bromadiolone
http://www.opentox.org/api/1.1#SMILES
Brc1ccc(cc1)c2ccc(cc2)CC(O)C(C3=C(O)c4ccccc4OC3=O)c5ccccc5
http://www.opentox.org/api/1.1#CASRN
56073-07-5
http://www.opentox.org/api/1.1#ChemicalName
difenacoum
http://www.opentox.org/api/1.1#SMILES
C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6
OC=1c6ccccc6OC(=O)C=1C3CC(Cc2ccccc23)c4ccc(cc4)c5ccccc5
http://www.opentox.org/api/1.1#ChemicalName
myclobutanil
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(cc1)C(CCC)(Cn2cncn2)C#N
http://www.opentox.org/api/1.1#ChemicalName
flocoumafen
http://www.opentox.org/api/1.1#SMILES
FC(F)(F)c1ccc(cc1)COc2ccc(cc2)C4Cc3ccccc3C(C4)C5=C(O)c6ccccc6OC5=O
http://www.opentox.org/api/1.1#ChemicalName
difethialone
http://www.opentox.org/api/1.1#SMILES
Brc1ccc(cc1)c2ccc(cc2)C4Cc3ccccc3C(C4)C5=C(O)c6ccccc6SC5=O
http://www.opentox.org/api/1.1#ChemicalName
metobenzuron
http://www.opentox.org/api/1.1#SMILES
CN(OC)C(=O)Nc1ccc(cc1)Oc2ccc3c(c2)OC(C)(CC3(C)C)OC
http://www.opentox.org/api/1.1#ChemicalName
butroxydim
http://www.opentox.org/api/1.1#SMILES
CCCC(=O)c1c(C)c(c(C)cc1C)C2CC(O)=C(C(=O)C2)C(CC)=NOCC
http://www.opentox.org/api/1.1#ChemicalName
doxycycline
http://www.opentox.org/api/1.1#SMILES
NC(=O)C=4C(=O)[C@@]3(O)C(O)=C2C(=O)c1c(O)cccc1[C@H](C)[C@H]2[C@H](O)[C@H]3[C@@H](C=4O)N(C)C
http://www.opentox.org/api/1.1#ChemicalName
n,n'-dihydroxy-1,4-diphenylbutane-2,3-diimine
http://www.opentox.org/api/1.1#SMILES
ON=C(Cc1ccccc1)C(=NO)Cc1ccccc1
http://www.opentox.org/api/1.1#ChemicalName
1-hydroxy-3,4,4a,10-tetrahydroanthracen-9(2h)-one
http://www.opentox.org/api/1.1#SMILES
O=C1c2ccccc2CC2CCCC(O)=C12
http://www.opentox.org/api/1.1#ChemicalName
(5r,10z)-6,7,8,9-tetrahydro-5h-benzo[9]annulen-5-ol
http://www.opentox.org/api/1.1#SMILES
OC1CCCCC=Cc2ccccc21
http://www.opentox.org/api/1.1#ChemicalName
4-[(e)-(4-butylphenyl)diazenyl]phenol
http://www.opentox.org/api/1.1#SMILES
Oc1ccc(N=Nc2ccc(cc2)CCCC)cc1
http://www.opentox.org/api/1.1#ChemicalName
atovaquone
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(cc1)C2CCC(CC2)C=4C(=O)c3ccccc3C(=O)C=4O
http://www.opentox.org/api/1.1#ChemicalName
posaconazole
http://www.opentox.org/api/1.1#SMILES
CC(O)C(CC)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OCC6CC(Cn5cncn5)(OC6)c7ccc(F)cc7F
http://www.opentox.org/api/1.1#ChemicalName
tioclomarol
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(s1)C(CC(O)c2ccc(Cl)cc2)C3=C(O)c4ccccc4OC3=O
http://www.opentox.org/api/1.1#ChemicalName
fluorenone
http://www.opentox.org/api/1.1#SMILES
O=C2C=CC=C1c3ccccc3C=C12
http://www.opentox.org/api/1.1#ChemicalName
4'-n-hexylbiphenyl-4-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
CCCCCCc1ccc(cc1)c2ccc(cc2)C(=O)O
http://www.opentox.org/api/1.1#ChemicalName
quinestradiol
http://www.opentox.org/api/1.1#SMILES
CC54CCC2C(CCc3cc(OC1CCCC1)ccc23)C5CC(O)C4O
http://www.opentox.org/api/1.1#ChemicalName
parvaquone
http://www.opentox.org/api/1.1#SMILES
OC2=C(C(=O)c1ccccc1C2=O)C3CCCCC3
http://www.opentox.org/api/1.1#ChemicalName
dextromorphan
http://www.opentox.org/api/1.1#SMILES
O(c1ccc3c(c1)[C@@]24[C@@H]([C@H](N(CC2)C)C3)CCCC4)C
http://www.opentox.org/api/1.1#ChemicalName
1-(2-hydroxyphenyl)octan-1-one
http://www.opentox.org/api/1.1#SMILES
O=C(c1ccccc1O)CCCCCCC
http://www.opentox.org/api/1.1#ChemicalName
clomestrone
http://www.opentox.org/api/1.1#SMILES
O=C2C(Cl)CC1C3CCc4cc(OC)ccc4C3CCC12C
http://www.opentox.org/api/1.1#ChemicalName
1-n-butyl-4-[(4-butylphenyl)ethynyl]benzene
http://www.opentox.org/api/1.1#SMILES
CCCCc1ccc(cc1)C#Cc2ccc(cc2)CCCC
http://www.opentox.org/api/1.1#ChemicalName
1-n-hexyl-4-[(p-tolyl)ethynyl]benzene
http://www.opentox.org/api/1.1#SMILES
CCCCCCc1ccc(cc1)C#Cc2ccc(cc2)C
http://www.opentox.org/api/1.1#ChemicalName
flavaspidic acid
http://www.opentox.org/api/1.1#SMILES
OC2=C(Cc1c(O)c(C(=O)CCC)c(O)c(C)c1O)C(=O)C(=C(O)C2(C)C)C(=O)CCC
http://www.opentox.org/api/1.1#ChemicalName
1-ethyl-4-[(4-n-hexylphenyl)ethynyl]benzene
http://www.opentox.org/api/1.1#SMILES
CCCCCCc1ccc(cc1)C#Cc2ccc(cc2)CC
http://www.opentox.org/api/1.1#ChemicalName
butorphanol
http://www.opentox.org/api/1.1#SMILES
Oc3ccc4C[C@H]1N(CC[C@@]2(CCCC[C@@]12O)c4c3)CC5CCC5
http://www.opentox.org/api/1.1#ChemicalName
n-acetyl-l-tryptophanamide
http://www.opentox.org/api/1.1#SMILES
CC(=O)NC(=O)[C@@H](N)Cc2cnc1ccccc12
http://www.opentox.org/api/1.1#ChemicalName
ugi product 171k (uc)
http://www.opentox.org/api/1.1#SMILES
CN(C)c1ccc(cc1)C(C(=O)NC(C)(C)C)N(C)C(=O)CCCc5ccc4ccc3cccc2ccc5c4c23
http://www.opentox.org/api/1.1#ChemicalName
ugi product 173b (uc)
http://www.opentox.org/api/1.1#SMILES
CC(C)(C)NC(=O)C(N(C)C(=O)CCCc4ccc3ccc2cccc1ccc4c3c12)c5ccc(C)cc5
http://www.opentox.org/api/1.1#ChemicalName
4-octylaniline
http://www.opentox.org/api/1.1#SMILES
Nc1ccc(CCCCCCCC)cc1
http://www.opentox.org/api/1.1#ChemicalName
10-[2-(4-acetylpiperazin-1-yl)ethyl]-9-(4-chlorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2h,5h)-dione
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(cc1)C3C5=C(N(C2=C3C(=O)CC(C)(C)C2)CCN4CCN(C(=O)C)CC4)CC(C)(C)CC5=O
http://www.opentox.org/api/1.1#ChemicalName
3-[(2s,3r)-3-chloro-3-methyl-2,3,4,9-tetrahydro-1h-carbazol-2-yl]propanenitrile
http://www.opentox.org/api/1.1#SMILES
Cl[C@@]3(Cc2c1c(cccc1)nc2C[C@@H]3CCC#N)C
http://www.opentox.org/api/1.1#ChemicalName
(1s,5s,6s)-1'-acetyl-1,3-diphenylspiro[2,7-dioxa-4-azabicyclo[3.2.0]hept-3-ene-6,3'-indol]-2'(1'h)-one
http://www.opentox.org/api/1.1#SMILES
O=C(N5C(=O)[C@]1(O[C@]2(OC(=N[C@@H]12)c3ccccc3)c4ccccc4)c6ccccc56)C
http://www.opentox.org/api/1.1#ChemicalName
(1s,5r,7r)-1,5-dichloro-3-methyl-6-methylene-7-phenyl-3-azabicyclo[3.2.0]heptane-2,4-dione
http://www.opentox.org/api/1.1#SMILES
O=C2N(C(=O)[C@]3(Cl)C(=C)[C@@H](c1ccccc1)[C@]23Cl)C
http://www.opentox.org/api/1.1#ChemicalName
(17beta)-17-ethynyl-3,17-dimethoxyestra-1,3,5(10)-triene
http://www.opentox.org/api/1.1#SMILES
O(c1cc4c(cc1)[C@H]3CC[C@]2([C@@H](CC[C@]2(C#C)OC)[C@@H]3CC4)C)C
http://www.opentox.org/api/1.1#ChemicalName
methyl 3-(2-{(3r)-4-ethyl-1-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1h-pyrrol-3-yl}ethyl)benzoate
http://www.opentox.org/api/1.1#SMILES
O=S(=O)(c1ccc(cc1)C)N3C=C([C@@H](CCc2cccc(C(=O)OC)c2)C3)CC
http://www.opentox.org/api/1.1#ChemicalName
(2r,3s,6s)-2,6-bis(4-methylphenyl)-3-phenylpiperidin-4-one
http://www.opentox.org/api/1.1#SMILES
O=C3C[C@@H](c1ccc(cc1)C)N[C@@H](c2ccc(cc2)C)[C@@H]3c4ccccc4
http://www.opentox.org/api/1.1#ChemicalName
(2r,3s,5r,6s)-2,6-bis(4-chlorophenyl)-3,5-dimethyltetrahydro-4h-pyran-4-one
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(cc1)[C@@H]3O[C@H](c2ccc(Cl)cc2)[C@H](C(=O)[C@H]3C)C
http://www.opentox.org/api/1.1#ChemicalName
(2r,3s,5r,6s)-3,5-dimethyl-2,6-bis(4-methylphenyl)tetrahydro-4h-pyran-4-one
http://www.opentox.org/api/1.1#SMILES
O=C2[C@@H]([C@H](O[C@@H](c1ccc(cc1)C)[C@@H]2C)c3ccc(cc3)C)C
http://www.opentox.org/api/1.1#ChemicalName
(3s)-3-acetyl-3-benzyl-5-hydroxy-6,7-dimethoxy-4-methyl-1-benzofuran-2(3h)-one
http://www.opentox.org/api/1.1#SMILES
O=C([C@@]1(c2c(c(O)c(OC)c(OC)c2OC1=O)C)Cc3ccccc3)C
http://www.opentox.org/api/1.1#ChemicalName
(4ar,9r,9ar)-4a-hydroxy-9-(3-nitrophenyl)-3,4,4a,5,6,7,9,9a-octahydro-1h-xanthene-1,8(2h)-dione
http://www.opentox.org/api/1.1#SMILES
[O-][N+](=O)c1cccc(c1)[C@@H]3C=4C(=O)CCCC=4O[C@@]2(O)[C@H]3C(=O)CCC2
http://www.opentox.org/api/1.1#ChemicalName
[(4s)-6,7-dimethoxy-3,4-dihydro-2h-chromen-4-yl](5-methoxy-2,2-dimethyl-2h-chromen-6-yl)methanone
http://www.opentox.org/api/1.1#SMILES
O=C(c1ccc2OC(C=Cc2c1OC)(C)C)[C@@H]3c4cc(OC)c(OC)cc4OCC3
http://www.opentox.org/api/1.1#ChemicalName
ethyl (6as,8s,12bs)-6-oxo-8-phenyl-8,12b-dihydro-6h-naphtho[2,1-c]chromene-6a(7h)-carboxylate
http://www.opentox.org/api/1.1#SMILES
O=C(OCC)[C@@]54C(=O)Oc1ccccc1[C@@H]5c2ccccc2[C@H](c3ccccc3)C4
http://www.opentox.org/api/1.1#ChemicalName
(6r)-6-[(1s)-1-hydroxy-2,2-diphenylethyl]-4,4-diphenylcyclohex-2-en-1-one
http://www.opentox.org/api/1.1#SMILES
O=C3C=CC(c1ccccc1)(c2ccccc2)C[C@@H]3[C@@H](O)C(c4ccccc4)c5ccccc5
http://www.opentox.org/api/1.1#ChemicalName
(1r)-4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
http://www.opentox.org/api/1.1#SMILES
O=C(O)[C@H]2c1ccccc1C(=O)CC2
http://www.opentox.org/api/1.1#ChemicalName
(1r,4r,6r,8r)-4-tert-butyl-8-(pentafluorophenyl)-7-oxabicyclo[4.2.0]oct-1-yl acetate
http://www.opentox.org/api/1.1#SMILES
Fc1c(F)c(F)c(F)c(F)c1[C@H]2O[C@@H]3C[C@@H](CC[C@]23OC(=O)C)C(C)(C)C
http://www.opentox.org/api/1.1#ChemicalName
methyl (1r,8s)-10-benzoyltricyclo[6.2.2.0~2,7~]dodeca-2,4,6,9,11-pentaene-9-carboxylate
http://www.opentox.org/api/1.1#SMILES
O=C(OC)C4=C(C(=O)c1ccccc1)[C@H]3c2ccccc2[C@@H]4C=C3
http://www.opentox.org/api/1.1#ChemicalName
methyl (2ar,2br,6br,6cs)-6c-benzoyl-2b,6c-dihydrobenzo[a]cyclopropa[cd]pentalene-6b(2ah)-carboxylate
http://www.opentox.org/api/1.1#SMILES
O=C(OC)[C@@]25c1ccccc1[C@H]4[C@@H](C=C2)[C@]45C(=O)c3ccccc3
http://www.opentox.org/api/1.1#ChemicalName
dimethyl (2as,2bs,8bs,8cr)-3,8-diphenyl-2b,8b-dihydrocyclopropa[3,4]pentaleno[1,2-b]naphthalene-2a,8c-dicarboxylate
http://www.opentox.org/api/1.1#SMILES
O=C(OC)[C@@]57C=C[C@H]6c2c(c(c1ccccc1)c4c(c2c3ccccc3)cccc4)[C@@H]5[C@]67C(=O)OC
http://www.opentox.org/api/1.1#ChemicalName
ethyl 2,2-dibenzyl-3-oxobutanoate
http://www.opentox.org/api/1.1#SMILES
O=C(OCC)C(Cc1ccccc1)(Cc1ccccc1)C(=O)C
http://www.opentox.org/api/1.1#ChemicalName
cyclorphan
http://www.opentox.org/api/1.1#SMILES
Oc3ccc4C[C@@H]2C5CCCC[C@]5(CCN2CC1CC1)c4c3
http://www.opentox.org/api/1.1#ChemicalName
methyl (1r,2s,9r,16r,19r)-19-methyl-17-oxo-18-oxahexacyclo[7.7.3.0~1,9~.0~2,16~.0~3,8~.0~10,15~]nonadeca-3,5,7,10,12,14-hexaene-2-carboxylate
http://www.opentox.org/api/1.1#SMILES
O=C(OC)[C@]35c1ccccc1[C@]64c2ccccc2[C@H]3[C@]56C(=O)O[C@@H]4C
http://www.opentox.org/api/1.1#ChemicalName
(1r,2r,11s,15r,19s)-19-chloro-19-cyano-7-methoxy-14-methylpentacyclo[13.2.2.0~1,14~.0~2,11~.0~5,10~]nonadeca-5,7,9,16-tetraen-15-yl acetate
http://www.opentox.org/api/1.1#SMILES
O=C(O[C@]51C=C[C@]4(C[C@]1(Cl)C#N)[C@H]3[C@@H](c2ccc(OC)cc2CC3)CC[C@@]45C)C
http://www.opentox.org/api/1.1#ChemicalName
(1r,5s)-1,5-dichloro-3,6,6-triphenyl-3-azabicyclo[3.2.0]heptane-2,4-dione
http://www.opentox.org/api/1.1#SMILES
O=C4N(c1ccccc1)C(=O)[C@]5(Cl)CC(c2ccccc2)(c3ccccc3)[C@]45Cl
http://www.opentox.org/api/1.1#ChemicalName
(1r,5s)-1,5-dichloro-3,6-diphenyl-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione
http://www.opentox.org/api/1.1#SMILES
O=C2N(c1ccccc1)C(=O)[C@@]3(Cl)C(=C[C@@]23Cl)c4ccccc4
http://www.opentox.org/api/1.1#ChemicalName
(13cr)-13c-methoxy-3,13c-dihydrodibenzo[a,kl]xanthen-1(2h)-one
http://www.opentox.org/api/1.1#SMILES
O=C3CCc4cccc5Oc2ccc1ccccc1c2[C@]3(OC)c45
http://www.opentox.org/api/1.1#ChemicalName
(2s)-2-[(s)-(2,4-dichlorophenyl)(hydroxy)methyl]-3,4-dihydronaphthalen-1(2h)-one
http://www.opentox.org/api/1.1#SMILES
Clc1ccc(c(Cl)c1)[C@@H](O)[C@H]3C(=O)c2c(cccc2)CC3
http://www.opentox.org/api/1.1#ChemicalName
(10s)-10-hydroxy-10-(2-oxopropyl)phenanthren-9(10h)-one
http://www.opentox.org/api/1.1#SMILES
O=C2c3c(c1c(cccc1)[C@@]2(O)CC(=O)C)cccc3
http://www.opentox.org/api/1.1#ChemicalName
methyl (1s,6'r,7a'r)-2-oxo-1',6',7',7a'-tetrahydro-2h-spiro[acenaphthylene-1,5'-pyrrolo[1,2-c][1,3]thiazole]-6'-carboxylate
http://www.opentox.org/api/1.1#SMILES
O=C(OC)[C@@H]4C[C@H]5[N@@]([C@]34C(=O)c2c1c3cccc1ccc2)CSC5
http://www.opentox.org/api/1.1#ChemicalName
methyl (1s,8r,10s)-3,5-dichloro-1-(4-methoxyphenyl)-8-(phenylsulfanyl)-11-oxa-4-azatricyclo[6.2.1.0~2,7~]undeca-2,4,6-triene-10-carboxylate
http://www.opentox.org/api/1.1#SMILES
O=C(OC)[C@@H]4[C@]3(O[C@](Sc1ccccc1)(c2c3c(Cl)nc(Cl)c2)C4)c5ccc(OC)cc5
http://www.opentox.org/api/1.1#ChemicalName
dispiro[cyclopropane-1,1'-cyclobuta[b]naphthalene-2',1''-cyclopropane]-3',8'-dione
http://www.opentox.org/api/1.1#SMILES
O=C2C4=C(C(=O)c1ccccc12)C3(CC3)C45CC5
http://www.opentox.org/api/1.1#ChemicalName
diethyl 2-hydroxy-5,6,7,8-tetrahydronaphthalene-1,3-dicarboxylate
http://www.opentox.org/api/1.1#SMILES
CCOC(=O)c1cc2c(c(c1O)C(=O)OCC)CCCC2
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