MonarchInit/C3PO huggingface dataset:
Compound: 5-(1,3-benzodioxol-5-yl)-1-methyl-2-imidazolamine
SMILES: CN1C(=CN=C1N)C2=CC3=C(C=C2)OCO3
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxyphenyl)-2-propenamide
SMILES: COC1=CC=CC(=C1)C=CC(=O)NC2=CC3=C(C=C2)OCCO3
Compound: 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester
SMILES: CC1=CC(=NO1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3OC
Compound: N-(3-methylphenyl)-4-(4-nitrophenyl)-2-phenyl-5-thiazolecarboxamide
SMILES: CC1=CC(=CC=C1)NC(=O)C2=C(N=C(S2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]
Compound: 2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile
SMILES: C1CC(=CC(=O)C1)NC2=CC=CC=C2C#N
Compound: 2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]pyrimidine
SMILES: C1CN(CCN1CC2=CC(=CC=C2)F)C3=NC=CC=N3
Compound: 5-bromo-3-hydroxy-3-(4-methyl-1-piperidinyl)-1H-indol-2-one
SMILES: CC1CCN(CC1)C2(C3=C(C=CC(=C3)Br)NC2=O)O
Compound: 2-[5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-2-phenylacetic acid
SMILES: COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C(C3=CC=CC=C3)C(=O)O)O
Compound: 1-[(3-chlorophenyl)methyl]-3-[5-(methylthio)-1,3,4-oxadiazol-2-yl]-2-pyridinone
SMILES: CSC1=NN=C(O1)C2=CC=CN(C2=O)CC3=CC(=CC=C3)Cl
Compound: 1-(4-oxo-2-thieno[3,2-d][1,3]thiazinyl)-N-(phenylmethyl)-3-piperidinecarboxamide
SMILES: C1CC(CN(C1)C2=NC3=C(C(=O)S2)SC=C3)C(=O)NCC4=CC=CC=C4
Compound: 3-acetyl-2-methylbenzo[f]benzofuran-4,9-dione
SMILES: CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)C
Compound: 3,4,5-trimethoxy-N-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]benzamide
SMILES: CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
Compound: 1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole
SMILES: CCN1C2=CC=CC=C2N=C1COC3=CC=C(C=C3)C
Compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]acetamide
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5
Compound: N-[[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-thiophen-2-yl-2-propenamide
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C=CC3=CC=CS3
Compound: 6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
SMILES: CC1=CC(=CC=C1)NCC2=CC3=C(C=CC(=C3)OC)NC2=O
Compound: 8-methyl-4-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILES: CCCN1CCN(CC1)CCCNC(=O)C2=CC3=C(S2)C4=C(C=CC(=C4)C)NC3=O
Compound: N-[(3-nitrophenyl)methylideneamino]carbamic acid tert-butyl ester
SMILES: CC(C)(C)OC(=O)NN=CC1=CC(=CC=C1)[N+](=O)[O-]
Compound: 2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester
SMILES: CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC(=O)C3=COCCO3
Compound: 2-bromo-N-(9-fluorenylideneamino)benzamide
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2=NNC(=O)C4=CC=CC=C4Br
Compound: 4-[4-[(1-cyclopentyl-5-tetrazolyl)-pyridin-4-ylmethyl]-1-piperazinyl]phenol
SMILES: C1CCC(C1)N2C(=NN=N2)C(C3=CC=NC=C3)N4CCN(CC4)C5=CC=C(C=C5)O
Compound: 5-(1-naphthalenylmethylidene)-6-thiazolo[3,2-b][1,2,4]triazolone
SMILES: C1=CC=C2C(=C1)C=CC=C2C=C3C(=O)N4C(=NC=N4)S3
Compound: N-(4-ethylphenyl)-9-bicyclo[6.1.0]non-6-enecarboxamide
SMILES: CCC1=CC=C(C=C1)NC(=O)C2C3C2C=CCCCC3
Compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenyl-2-pyrazinecarboxamide
SMILES: CC1=NN=C(S1)N(C2=CC=CC=C2)C(=O)C3=NC=CN=C3
Compound: 2-(2-chloro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester
SMILES: COC(=O)C1CC2=CC=CC=C2CN1C(=O)CCl
Compound: 1-(4-chlorophenyl)-5-methyl-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)-4-pyrazolecarboxamide
SMILES: CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)N(CC3=CC=CC=C3)CC4=CC=CS4
Compound: 3-[(2-pyridinylmethylamino)methylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione
SMILES: C1=CC=C2C(=C1)C(=O)C(=CNCC3=CC=CC=N3)C(=O)O2
Compound: 1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-4-methylbenzene
SMILES: CC1=CC(=C(C=C1)OCCOC2=C(C=CC(=C2)C)Cl)OC
Compound: 2-[(2,2-dichloro-3,3-dimethylcyclopropyl)methylthio]-1H-benzimidazole
SMILES: CC1(C(C1(Cl)Cl)CSC2=NC3=CC=CC=C3N2)C
Compound: 6-amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: CC(C)CC1C(=C(OC2=NNC(=C12)C3=CC=CC=C3)N)C#N
Compound: 3-tert-butyl-7-[[2-(4-methylphenyl)-2-oxoethyl]thio]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILES: CC1=CC=C(C=C1)C(=O)CSC2=NN3C(=O)C(=NN=C3S2)C(C)(C)C
Compound: LSM-27848
SMILES: C1=C2C(=[NH+]C=C1Br)NC(=S)N2
Compound: N-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide
SMILES: CC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=CC=C(C=C3)F
Compound: N'-(9-acridinyl)-2-(3-methylphenoxy)acetohydrazide
SMILES: CC1=CC(=CC=C1)OCC(=O)NNC2=C3C=CC=CC3=NC4=CC=CC=C42
Compound: N-[3-[3-(1-piperidinylsulfonyl)anilino]-2-quinoxalinyl]benzenesulfonamide
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5
Compound: 1-[(2-cyclohexylcyclohexylidene)amino]-3-propan-2-ylthiourea
SMILES: CC(C)NC(=S)NN=C1CCCCC1C2CCCCC2
Compound: 5-bromo-N-[[(4-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide
SMILES: CC1=CC(=NC=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br
Compound: 2-[[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]benzoic acid
SMILES: C1=CC=C(C(=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3O2)C(=O)O
Compound: 2-cyano-2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-3-(3-methoxypropyl)-4-oxo-2-thiazolidinylidene]-N-(2-methoxyethyl)acetamide
SMILES: COCCCN1C(=O)C(=CC2=CC(=C(C=C2)OC(F)F)OC)SC1=C(C#N)C(=O)NCCOC
Compound: N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophenecarboxamide
SMILES: C1=CC=C(C(=C1)C=CC=NNC(=O)C2=CC=CS2)[N+](=O)[O-]
Compound: 4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SMILES: COCCN1C=C(C(C(=C1)C(=O)OC)C2=CC=C(C=C2)Cl)C(=O)OC
Compound: 1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone
SMILES: CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN=C4N3C=CC=C4)C
Compound: N-(3-acetylphenyl)-2-naphthalenecarboxamide
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=CC=CC=C3C=C2
Compound: 5,8-dimethoxy-4-(4-methyl-1-piperazinyl)-2-(trifluoromethyl)quinoline
SMILES: CN1CCN(CC1)C2=CC(=NC3=C(C=CC(=C23)OC)OC)C(F)(F)F
Compound: 5-ethyl-3-[(N-methylanilino)methylidene]-2-thiophenone
SMILES: CCC1=CC(=CN(C)C2=CC=CC=C2)C(=O)S1
Compound: 1,1-bis(4-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]ethanol
SMILES: COC1=CC=CC(=C1)CNCC(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O
Compound: 3-methyl-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]benzamide
SMILES: CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C
Compound: 2-oxopent-4-enoate
SMILES: [O-]C(=O)C(=O)CC=C
Compound: 4-chloro-N-[3-(3-methylanilino)-1-(5-nitro-2-furanyl)-3-oxoprop-1-en-2-yl]benzamide
SMILES: CC1=CC(=CC=C1)NC(=O)C(=CC2=CC=C(O2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)Cl
Compound: [4-[5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone
SMILES: CC(C)(C)C1=NC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CO4)N=NN2CC5=CC=CC=C5Cl
Compound: N-(3-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide
SMILES: C1CC2CC1CC2NS(=O)(=O)C3=CC=C(C=C3)Cl
Compound: 4-[2-[2-[3-methyl-2,6-dioxo-8-(1-piperidinyl)-7-purinyl]ethylidene]hydrazinyl]benzoic acid
SMILES: CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC=NNC4=CC=C(C=C4)C(=O)O
Compound: 2-[4-oxo-2-[2-(2-pyridinylmethylidene)hydrazinyl]-5-thiazolyl]acetic acid
SMILES: C1=CC=NC(=C1)C=NNC2=NC(=O)C(S2)CC(=O)O
Compound: 6-[4-[2-(4-morpholinyl)ethylamino]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
SMILES: C1COCCN1CCNC2=NC(=C3C=CC=CC3=O)NC4=CC=CC=C42
Compound: 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CN=C(N=C1N)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N
Compound: 4,6-dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile
SMILES: CC1=CC(=NC(=C1C#N)NCCCN2CCOCC2)C
Compound: N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)-2-furancarboxamide
SMILES: CC1=C(C=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)C4=CC=C(O4)COC)C
Compound: 4-[(2-chloro-3-phenylprop-2-enylidene)amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
SMILES: C1=CC=C(C=C1)C=C(C=NN2C(=NNC2=S)COC3=CC=CC=C3)Cl
Compound: 3-(1-methyl-2-pyrrolyl)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILES: CN1C=CC=C1C2=NNC(=C2)C(=O)NN=CC3=CC(=C(C=C3OC)OC)OC
Compound: N-(3,4-dihydro-2H-pyrrol-5-yl)-5-(2-furanyl)-1,3,4-oxadiazol-2-amine
SMILES: C1CC(=NC1)NC2=NN=C(O2)C3=CC=CO3
Compound: N-[4-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-1-oxo-2-isoquinolinyl]-2-pyrazinecarboxamide
SMILES: C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CN(C(=O)C4=CC=CC=C43)NC(=O)C5=NC=CN=C5
Compound: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-methoxy-3-quinolinecarbonitrile
SMILES: COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCCCCC3
Compound: 5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione
SMILES: CN1C2=C(C(=O)N(C1=O)C)N=NC=N2
Compound: N'-[(3,5-dibromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-ethyl-2-hydroxybutanehydrazide
SMILES: CCC(CC)(C(=O)NNC=C1C=C(C=C(C1=O)Br)Br)O
Compound: 6-(2-chlorophenyl)-3-methyl-2-[4-morpholinyl(oxo)methyl]-1,5,6,7-tetrahydroindol-4-one
SMILES: CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CC=C3Cl)C(=O)N4CCOCC4
Compound: 2-cyano-N,N-diethyl-2-(phenylhydrazinylidene)ethanimidamide
SMILES: CCN(CC)C(=N)C(=NNC1=CC=CC=C1)C#N
Compound: 2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid methyl ester
SMILES: CC1=C(C(=CN1)C2=CC=CC=C2)C(=O)OC
Compound: N-[[[(4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide
SMILES: COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CO2
Compound: 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile
SMILES: CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C(=O)C1)C
Compound: 5-tert-butyl-3-(phenylmethyl)-1,3,5-thiadiazinane-2-thione
SMILES: CC(C)(C)N1CN(C(=S)SC1)CC2=CC=CC=C2
Compound: 4-methoxy-6-[5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
SMILES: COC1=CC=C(C=C1)C2=CC(=C3C=C(C=CC3=O)OC)NN2
Compound: [2-methoxy-5-[[4-(4-methylphenyl)-1-phthalazinyl]amino]phenyl]-(1-piperidinyl)methanone
SMILES: CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)OC)C(=O)N5CCCCC5
Compound: N-[4-(4-methyl-2-thiazolyl)-2-phenyl-3-pyrazolyl]-3-(trifluoromethyl)benzamide
SMILES: CC1=CSC(=N1)C2=C(N(N=C2)C3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F
Compound: 2-(3-nitrophenyl)-4,5-dioxo-1-phenyl-3-pyrrolidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1C(N(C(=O)C1=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]
Compound: 3-[2-[butyl(methyl)amino]ethyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one
SMILES: CCCCN(C)CCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)NC1=S
Compound: 1-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
SMILES: CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=NN=C(S1)SCC
Compound: N-[3-(cyclohexylthio)propyl]-2-[[5-methyl-2-(3-methylphenyl)-4-oxazolyl]methylsulfinyl]acetamide
SMILES: CC1=CC=CC(=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NCCCSC3CCCCC3
Compound: 2-amino-7-methyl-6-[3-(4-morpholinyl)propyl]-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILES: CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3OC)OC)OC)C(=O)N1CCCN4CCOCC4
Compound: 1-[2-(dimethylamino)ethyl]-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-3-(2-oxolanylmethyl)thiourea
SMILES: CN(C)CCN(CC1=CC2=CC3=C(C=C2NC1=O)OCO3)C(=S)NCC4CCCO4
Compound: N-(3-hydroxyphenyl)-2-[[4-methyl-5-[4-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4
Compound: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester
SMILES: CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC(=O)N3C4=CC=CC=C4SC3=N2
Compound: 2-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=CC=C2
Compound: 2-[4-[(1-phenyl-5-tetrazolyl)oxy]phenyl]-1,3,4-oxadiazole
SMILES: C1=CC=C(C=C1)N2C(=NN=N2)OC3=CC=C(C=C3)C4=NN=CO4
Compound: 2-[2-[[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester
SMILES: CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NN=C(N2C)C3CC3
Compound: N-(3-methylphenyl)-2-[4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetamide
SMILES: CC1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)C=CC3=C(C(=O)NC(=O)N3)[N+](=O)[O-]
Compound: 1,7,7-trimethyl-N,N-bis(2-methylpropyl)-2-oxo-4-bicyclo[2.2.1]heptanecarboxamide
SMILES: CC(C)CN(CC(C)C)C(=O)C12CCC(C1(C)C)(C(=O)C2)C
Compound: 3-(1-ethyl-5-methyl-4-pyrazolyl)-1-phenyl-2-propen-1-one
SMILES: CCN1C(=C(C=N1)C=CC(=O)C2=CC=CC=C2)C
Compound: 1-[(3,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]methyl]-4-phenylpiperazine
SMILES: COC1=C(C=C(C=C1)C(C2=NN=NN2CC3=CC=CS3)N4CCN(CC4)C5=CC=CC=C5)OC
Compound: N-methyl-N-(3-pyridinylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-3-isoxazolecarboxamide
SMILES: CN(CC1=CN=CC=C1)C(=O)C2=NOC(=C2)COC3=CC4=C(CCCC4)C=C3
Compound: 5-[(3-methoxyphenyl)iminomethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILES: CC1(OC(=O)C(C(=O)O1)C=NC2=CC(=CC=C2)OC)C
Compound: 2-(4-oxo-3-quinazolinyl)-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C=NC4=CC=CC=C4C3=O
Compound: 5-[[4-[2-cyano-2-(4-fluorophenyl)ethenyl]-2-methoxyphenoxy]methyl]-2-furancarboxylic acid
SMILES: COC1=C(C=CC(=C1)C=C(C#N)C2=CC=C(C=C2)F)OCC3=CC=C(O3)C(=O)O
Compound: N-[[(2,4-dimethyl-8-quinolinyl)amino]-sulfanylidenemethyl]-4-methylbenzamide
SMILES: CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2N=C(C=C3C)C
Compound: 5-chloro-7-[1-piperidinyl(2-pyridinyl)methyl]-8-quinolinol
SMILES: C1CCN(CC1)C(C2=CC=CC=N2)C3=CC(=C4C=CC=NC4=C3O)Cl
Compound: N-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide
SMILES: COC1=CC=CC(=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=NC(=O)C5=CC=CC=C5N4
Compound: 3-(4-methoxyphenyl)-8-(6-methyl-2-phenyl-4-pyrimidinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILES: CC1=CC(=NC(=N1)C2=CC=CC=C2)N3C4CCC3CC(C4)(C5=CC=C(C=C5)OC)O
Compound: 4-[[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=CS3
Compound: 1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(4-methylphenyl)-2-pyrrolidinecarboxamide
SMILES: CC1=CC=C(C=C1)NC(=O)C2CCCN2C3=NN4C(=O)C=C(N=C4S3)C
Compound: N-[[(2-chloro-3-pyridinyl)amino]-sulfanylidenemethyl]-2-furancarboxamide
SMILES: C1=CC(=C(N=C1)Cl)NC(=S)NC(=O)C2=CC=CO2
Compound: acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester
SMILES: CC(=O)OC1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2
Compound: N-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]-4-phenyl-1-piperazinecarbothioamide
SMILES: CC1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)(O4)CNC(=S)N5CCN(CC5)C6=CC=CC=C6
Compound: N-[2-(4-acetyl-1-piperazinyl)phenyl]-2-(2-methylphenoxy)acetamide
SMILES: CC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C
Compound: 2-(1,3-benzodioxol-5-yl)-4-(dimethylaminomethylidene)-5-oxazolone
SMILES: CN(C)C=C1C(=O)OC(=N1)C2=CC3=C(C=C2)OCO3
Compound: N-[3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-furancarboxamide
SMILES: C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CO3)C(=O)NCC4=CN=CC=C4
Compound: 1-(2,7-dimethyl-3-imidazo[1,2-a]pyridinyl)-2-(phenylthio)ethanone
SMILES: CC1=CC2=NC(=C(N2C=C1)C(=O)CSC3=CC=CC=C3)C
Compound: N-[amino-[(4,6,7-trimethyl-2-quinazolinyl)amino]methylidene]propanamide
SMILES: CCC(=O)N=C(N)NC1=NC2=CC(=C(C=C2C(=N1)C)C)C
Compound: 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
SMILES: CC1=CC(=NO1)NC(=O)CSC2=NN3C(=NN=C3C4=CC(=C(C=C4)OC)OC)C=C2
Compound: N-[3-[4-(3-chlorophenyl)-1-piperazinyl]-1,4-dioxo-2-naphthalenyl]-2-thiophenesulfonamide
SMILES: C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=CS5
Compound: 3-ethyl-5-[[2-methyl-4-(4-morpholinyl)phenyl]methylidene]thiazolidine-2,4-dione
SMILES: CCN1C(=O)C(=CC2=C(C=C(C=C2)N3CCOCC3)C)SC1=O
Compound: 2-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
SMILES: C1CN(CCN1C2=CC=CC=C2F)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O
Compound: 1-[4-[[6-methyl-2-(methylthio)-5-prop-2-enyl-4-pyrimidinyl]amino]phenyl]ethanone
SMILES: CC1=C(C(=NC(=N1)SC)NC2=CC=C(C=C2)C(=O)C)CC=C
Compound: N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide
SMILES: CCCCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC(=CC=C3)OC)C
Compound: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester
SMILES: COC1=CC(=CC(=C1)NC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC)OC
Compound: 3-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]thio]-2-oxolanone
SMILES: CCC1=CC=C(C=C1)NC2=NN=C(S2)SC3CCOC3=O
Compound: N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide
SMILES: CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(CC3)C(=O)C
Compound: 2-cyano-3-(2,3,5,6-tetramethylphenyl)-2-propenethioamide
SMILES: CC1=CC(=C(C(=C1C)C=C(C#N)C(=S)N)C)C
Compound: 4-[[3-methoxycarbonyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]amino]-4-oxo-2-butenoic acid
SMILES: CC1=C(SC(=C1C(=O)OC)NC(=O)C=CC(=O)O)CC2=CC=CC=C2
Compound: 5-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(NN=C1)NC(=S)NC2=CC=C(C=C2)OC
Compound: N-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-pyridinecarboxamide
SMILES: CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C=NNC(=O)C3=CN=CC=C3)OC
Compound: N-tert-butyl-2-[[(3-nitrophenyl)-oxomethyl]hydrazo]-2-oxoacetamide
SMILES: CC(C)(C)NC(=O)C(=O)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Compound: N-[3-(6-methyl-4-phenyl-2-quinolinyl)phenyl]methanesulfonamide
SMILES: CC1=CC2=C(C=C1)N=C(C=C2C3=CC=CC=C3)C4=CC(=CC=C4)NS(=O)(=O)C
Compound: 10-methyl-3-(2-phenylethyl)-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione
SMILES: CC(C)C1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1CCC4=CC=CC=C4
Compound: 4-chloro-2-methyl-3-(3-oxobutyl)-6-quinolinecarboxylic acid
SMILES: CC1=NC2=C(C=C(C=C2)C(=O)O)C(=C1CCC(=O)C)Cl
Compound: 2-hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester
SMILES: CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2Cl)O
Compound: 1-(9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(3,5-dimethylphenyl)thiourea
SMILES: CC1=CC(=CC(=C1)NC(=S)NC2CC3CCCC(C2)N3C4CCCC4)C
Compound: 3-[[2-[[5-[(4-cyanophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C#N
Compound: N-(2-pyridinylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
SMILES: C1CCC2=NC3=NC=NN3C(=C2C1)NCC4=CC=CC=N4
Compound: N-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1-pyrazolyl)-1,2,4,5-tetrazin-3-amine
SMILES: CC1=CC(=NN1C2=NN=C(N=N2)NCC3=CC=C(C=C3)Cl)C
Compound: 2-[2-(dimethylamino)ethylthio]-6,6-dimethyl-5,8-dihydropyrano[4,5]thieno[1,2-c]pyrimidin-4-amine
SMILES: CC1(CC2=C(CO1)SC3=NC(=NC(=C23)N)SCCN(C)C)C
Compound: (2S)-2-[[[5-[[methyl-(phenylmethyl)amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester
SMILES: CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)N(C)CC2=CC=CC=C2
Compound: 4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine
SMILES: C1COCCN1CCOCCOC2=C(C=C(C=C2)Br)Cl
Compound: 1-(2-pyrimidinyl)-3-(2,2,2-trifluoroethyl)urea
SMILES: C1=CN=C(N=C1)NC(=O)NCC(F)(F)F
Compound: 3-hydroxy-3-[2-oxo-2-[4-(1-pyrrolyl)phenyl]ethyl]-1H-indol-2-one
SMILES: C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC=C(C=C3)N4C=CC=C4)O
Compound: N-[(2-methoxyphenyl)methyl]-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinamine
SMILES: COC1=CC=CC=C1CNC2=NC=NC3=C2N=NN3CC4=CC=CC=C4
Compound: N-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-2-furancarboxamide
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NNC(=O)C2=CC=CO2
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]-4-triazolecarboxamide
SMILES: CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)OC(C)C
Compound: 1,3-benzothiazole-6-carboxylic acid [2-(2-furanyl)-2-oxoethyl] ester
SMILES: C1=COC(=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3
Compound: 4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
SMILES: CC1=C2C(=O)C=C(NC2=NC(=N1)C3=CC=CC=C3)C4=CC=CC=C4
Compound: [5-(2,5-dimethoxyphenyl)-3-isoxazolyl]-(4-morpholinyl)methanone
SMILES: COC1=CC(=C(C=C1)OC)C2=CC(=NO2)C(=O)N3CCOCC3
Compound: 2-acetamido-3-(1,3-benzodioxol-5-yl)-N-(phenylmethyl)-2-propenamide
SMILES: CC(=O)NC(=CC1=CC2=C(C=C1)OCO2)C(=O)NCC3=CC=CC=C3
Compound: N-[3-(4-morpholinyl)propyl]-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
SMILES: C1COCCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCC4=CC=CC=C4
Compound: 3-phenyl-5-[[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole
SMILES: C1=CC=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CS5
Compound: 4-[4-(4-acetylphenyl)-1-piperazinyl]-N-[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamide
SMILES: CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NCCCN(C)C)[N+](=O)[O-]
Compound: LSM-27960
SMILES: C1CN2C(CC3=C(C2=O)C=NC4=NC=NN34)C5=CC=CC=C51
Compound: 4-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]benzoic acid ethyl ester
SMILES: CCNC1=NC(=NC(=N1)SC)OC2=CC=C(C=C2)C(=O)OCC
Compound: 3-[(4-methylphenyl)sulfamoyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
SMILES: CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC3=CC=CO3
Compound: 2-[(6-chloro-4-ethyl-2-oxo-1-benzopyran-7-yl)oxy]propanoic acid
SMILES: CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)O
Compound: diuron
SMILES: CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
Compound: 4,5-diamino-1,2,4a,4b,7,8,8a,8b-octahydro-1,3,6,8-tetraazabiphenylene-2,7-dione
SMILES: C12C(C3C1NC(N=C3N)=O)C(=NC(N2)=O)N
Compound: 1-(2,1,3-benzoxadiazol-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanone
SMILES: CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=CC3=NON=C32
Compound: 2,5-dimethyl-N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-3-pyrazolecarboxamide
SMILES: CC1=NN(C(=C1)C(=O)N[C@H](C2=CC=CC=C2)[C@]3(C[C@@H]3[C@@H](C)C(=O)NC4=CC5=CC=CC=C5C=C4)C)C
Compound: 4-chloro-N-[3-(3-methyl-1-piperidinyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide
SMILES: CC1CCCN(C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Cl
Compound: 2-[[3-methyl-5-oxo-1-(phenylmethyl)-4H-pyrazol-4-yl]-phenylmethyl]propanedinitrile
SMILES: CC1=NN(C(=O)C1C(C2=CC=CC=C2)C(C#N)C#N)CC3=CC=CC=C3
Compound: 3-[2-hydroxy-3-(4-morpholinyl)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILES: CC1(C(=O)N(C(=O)N1)CC(CN2CCOCC2)O)C
Compound: N-cyclohexyl-3-(3,4-dimethoxyphenyl)-N-(2-pyridinyl)-2-propenamide
SMILES: COC1=C(C=C(C=C1)C=CC(=O)N(C2CCCCC2)C3=CC=CC=N3)OC
Compound: N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxin-6-carboxamide
SMILES: CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC4=C(C=C3)OCCO4
Compound: 2-[[2-(4-methoxyphenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]amino]ethanol
SMILES: CC1=NC2=CC(=NN2C(=C1)NCCO)C3=CC=C(C=C3)OC
Compound: 1,3-dimethyl-5-[[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione
SMILES: CC1(C2CCC1(C(=O)C2NC=C3C(=O)N(C(=O)N(C3=O)C)C)C)C
Compound: N-(1,3-benzodioxol-5-yl)-1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinecarboxamide
SMILES: C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5
Compound: N-[1-methyl-2-[2-(4-phenyl-1-piperazinyl)ethyl]-5-benzimidazolyl]-2-furancarboxamide
SMILES: CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)N=C1CCN4CCN(CC4)C5=CC=CC=C5
Compound: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-2-furancarboxamide
SMILES: CCC1=CC=C(O1)C(=O)NCC2COC3=CC=CC=C3O2
Compound: 1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione
SMILES: CCN(CC)C1CC(=O)N(C1=O)C2=CC=C(C=C2)Br
Compound: N-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-3,4,5-trimethoxybenzamide
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NN=C(CC2=NC=CN2)C3=CC=CC=C3
Compound: LSM-27979
SMILES: CC1=CC2=C(C=C1)NC(=O)[C@]3([C@H]([C@H]4COC5=C([C@@H]4N3C2=O)C=CC(=C5)OC)C6=CC=CC=C6)C
Compound: 2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)OCC=C)C
Compound: 6-methyl-2-[4-(1-piperidinylsulfonyl)phenyl]imidazo[1,2-a]pyridine
SMILES: CC1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4
Compound: N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]benzamide
SMILES: CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2)C3=CNC4=CC=CC=C43
Compound: 5-benzoyl-6-methyl-4-[4-(4-morpholinyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
SMILES: CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)N3CCOCC3)C(=O)C4=CC=CC=C4
Compound: 2,4-dibromo-6-[(3-quinolinylamino)methyl]phenol
SMILES: C1=CC=C2C(=C1)C=C(C=N2)NCC3=CC(=CC(=C3O)Br)Br
Compound: N-[4-(1-piperidinylsulfonyl)phenyl]-2-thiophenesulfonamide
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3
Compound: N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-2-benzofurancarboxamide
SMILES: CC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC3=CC4=C(C=C3)OCO4
Compound: 2-chloro-N-(1-methyl-3-pyrazolyl)acetamide
SMILES: CN1C=CC(=N1)NC(=O)CCl
Compound: [1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILES: C1CN(CCC1C(=O)N2CCC(=CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F
Compound: 5,6-dimethyl-2-(prop-2-enylthio)-4-thieno[2,3-d]pyrimidinamine
SMILES: CC1=C(SC2=NC(=NC(=C12)N)SCC=C)C
Compound: 3-methyl-5-propyl-7-furo[3,2-g][1]benzopyranone
SMILES: CCCC1=CC(=O)OC2=CC3=C(C=C12)C(=CO3)C
Compound: 2,5-dichloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophenecarboxamide
SMILES: C1=CC(=CC=C1C2=NN=C(O2)NC(=O)C3=C(SC(=C3)Cl)Cl)F
Compound: 2-[7-chloro-2,3-dioxo-4-(phenylmethyl)-1-quinoxalinyl]-N-(3-fluorophenyl)acetamide
SMILES: C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N(C(=O)C2=O)CC(=O)NC4=CC(=CC=C4)F
Compound: 1-(6-methyl-2-pyridinyl)-4-[oxo(thiophen-2-yl)methyl]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
SMILES: CC1=NC(=CC=C1)N2C(C(C(=O)C2=O)C(=O)C3=CC=CS3)C4=CC(=CC=C4)OC5=CC=CC=C5
Compound: (2R,4S)-4-cyclohexyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
SMILES: C1CCC(CC1)[C@@H]2C[C@@H](OC(=C2)C(=O)N)OCC3=CC=C(C=C3)CO
Compound: 4-(2,5-dimethylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
SMILES: CC1=CC(=C(C=C1)C)N2C(=NNC2=S)C3=CC=NC=C3
Compound: 5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(phenylmethyl)imino-3-prop-2-enyl-4-thiazolidinone
SMILES: CN1C2=C(C=CC(=C2)OC)SC1=C3C(=O)N(C(=NCC4=CC=CC=C4)S3)CC=C
Compound: 4-[(2,6-dichlorophenyl)methylideneamino]-3-(2-furanyl)-1H-1,2,4-triazole-5-thione
SMILES: C1=CC(=C(C(=C1)Cl)C=NN2C(=NNC2=S)C3=CC=CO3)Cl
Compound: 4-(furan-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
SMILES: CC1=NN=C(S1)N2C(C(C(=O)C2=O)C(=O)C3=CC=CO3)C4=CC=C(C=C4)C(C)C
Compound: 6,7-dimethoxy-2-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-quinolinecarbonitrile
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC(=C(C=C4C=C3C#N)OC)OC
Compound: 1-[(1'-acetyl-6-hydroxy-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]ylidene)amino]-3-(4-methylphenyl)thiourea
SMILES: CC1=CC=C(C=C1)NC(=S)NN=C2CC3(CCN(CC3)C(=O)C)OC4=C2C=C(C=C4)O
Compound: [[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]methylideneamino]thiourea
SMILES: CC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC(=S)N)C
Compound: N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4
Compound: 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methylcyclohexyl) ester
SMILES: CC1CCCC(C1)OC(=O)C2=C(NC(=O)NC2C3=CC(=C(C=C3)O)OC)C
Compound: 1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone
SMILES: CC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)N3C4=C(C=C(C=C4)OC)C(=CC3(C)C)C
Compound: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester
SMILES: CC1=C(SC(=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl)NC(=O)C)C
Compound: N-(1H-benzimidazol-2-ylmethyl)-3-(1-pyrrolidinylsulfonyl)benzamide
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3
Compound: 2-phenoxy-N-(2-pyridinyl)butanamide
SMILES: CCC(C(=O)NC1=CC=CC=N1)OC2=CC=CC=C2
Compound: 2-butenedioic acid bis[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester
SMILES: COC1=C(C=C(C=C1)NC(=O)COC(=O)C=CC(=O)OCC(=O)NC2=CC(=C(C=C2)OC)Cl)Cl
Compound: N-cyclopentyl-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]acetamide
SMILES: C1CCC(C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3
Compound: N-(4-acetylphenyl)-4-[[3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
SMILES: CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC=CC(=O)C3=CC=C(C=C3)F
Compound: 2-pyridin-4-yl-4-benzo[h][1]benzopyranone
SMILES: C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)C4=CC=NC=C4
Compound: 2,6-bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILES: C1=CC=C(C(=C1)N2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)C5=CC=CC=C5O)O
Compound: 3-(4-methoxyphenyl)-2,4-dihydrothiazolo[3,2-a][1,3,5]triazin-6-one
SMILES: COC1=CC=C(C=C1)N2CN=C3N(C2)C(=O)CS3
Compound: 2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
SMILES: OC1C=CC=C(C1C(O)=O)C(=O)CCC(O)=O
Compound: thiocyanic acid [2-(1-naphthalenyl)-2-oxoethyl] ester
SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)CSC#N
Compound: 6-(2-phenylethyl)-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILES: C1=CC=C(C=C1)CCC2=NN3C(=NN=C3S2)CC4=CC=CC=C4
Compound: 7-hydroxy-4-phenyl-8-(1-piperidinylmethyl)-1-benzopyran-2-one
SMILES: C1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O
Compound: 4-(3,4-dihydroxyphenyl)-6-[(4-fluoro-3-methylphenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)O)O)CS(=O)(=O)C3=CC(=C(C=C3)F)C
Compound: 5-bromo-N-[2-(4-methyl-1-piperazinyl)phenyl]-2-furancarboxamide
SMILES: CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)Br
Compound: 3-butyl-10-phenylpyrimido[4,5-b]quinoline-2,4-dione
SMILES: CCCCN1C(=O)C2=CC3=CC=CC=C3N(C2=NC1=O)C4=CC=CC=C4
Compound: 5-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)-4-nitro-2-propan-2-ylimidazole
SMILES: CC(C)CN1C(=C(N=C1C(C)C)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)F
Compound: 3-[[5-[(3-nitrophenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]methyl]benzoic acid
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O
Compound: 6-amino-4-(5-chloro-2-thiophenyl)-5-cyano-2-phenyl-4H-pyran-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(OC(=C(C1C2=CC=C(S2)Cl)C#N)N)C3=CC=CC=C3
Compound: N-cycloheptyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3
Compound: N-[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl]butanamide
SMILES: CCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NC(=N2)OC)OC
Compound: 4-amino-N5-[2-(2-methoxyethylamino)-1-(5-methyl-2-furanyl)-2-oxoethyl]-N5-(thiophen-2-ylmethyl)isothiazole-3,5-dicarboxamide
SMILES: CC1=CC=C(O1)C(C(=O)NCCOC)N(CC2=CC=CS2)C(=O)C3=C(C(=NS3)C(=O)N)N
Compound: 2-(1-cyclopropyliminoethyl)indene-1,3-dione
SMILES: CC(=NC1CC1)C2C(=O)C3=CC=CC=C3C2=O
Compound: 1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]ethanone
SMILES: CC1=CC(=NC2=NN=C(N12)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)C
Compound: 4-methyl-5-[2-[(phenylmethyl)amino]-4-thiazolyl]-2-thiazolamine
SMILES: CC1=C(SC(=N1)N)C2=CSC(=N2)NCC3=CC=CC=C3
Compound: 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-furanylmethyl)acetamide
SMILES: C1=CC=C(C(=C1)NC2=NN=C(S2)SCC(=O)NCC3=CC=CO3)F
Compound: N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide
SMILES: COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC5=C(C=C4)OCO5)OC
Compound: 4-tert-butyl-2-[(5-nitro-2-pyridinyl)thio]thiazole
SMILES: CC(C)(C)C1=CSC(=N1)SC2=NC=C(C=C2)[N+](=O)[O-]
Compound: 5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one
SMILES: CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)C(C)(C)C
Compound: 2-(3-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILES: COC1=CC=CC(=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(F)(F)F
Compound: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [3-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester
SMILES: CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)NC(=O)C3=CC=CS3)S(=O)(=O)N4CCOCC4
Compound: N-(4-methyl-5-oxo-2-[1]benzopyrano[4,3-b]pyridinyl)-2-phenylacetamide
SMILES: CC1=CC(=NC2=C1C(=O)OC3=CC=CC=C32)NC(=O)CC4=CC=CC=C4
Compound: 2-hydroxy-4-methoxybenzoic acid (2-methyl-4-thiazolyl)methyl ester
SMILES: CC1=NC(=CS1)COC(=O)C2=C(C=C(C=C2)OC)O
Compound: 3-[(2,4-difluorophenoxy)methyl]-4-methoxybenzaldehyde
SMILES: COC1=C(C=C(C=C1)C=O)COC2=C(C=C(C=C2)F)F
Compound: 3-[(3,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one
SMILES: COC1=C(C=C(C=C1)C=C2COC3=CC=CC=C3C2=O)OC
Compound: 7-methoxy-4,8-dimethyl-1-benzopyran-2-one
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2C)OC
Compound: 3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one
SMILES: CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)NCCO)CC)C
Compound: 1-[(2-ethyl-4-hydroxy-4-methyl-1-oxopentyl)amino]-3-phenylthiourea
SMILES: CCC(CC(C)(C)O)C(=O)NNC(=S)NC1=CC=CC=C1
Compound: 2-(4-methoxyphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide
SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=C(C=C3)OC
Compound: 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid
SMILES: CC1=CC(=O)N(N1)C2=CC=C(C=C2)C(=O)O
Compound: 3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
SMILES: COC1=CC=C(C=C1)C2=NOC(=N2)CCC3=CC=CC=C3
Compound: 2-[[5-[(2-methyl-8-quinolinyl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide
SMILES: CC1=NC2=C(C=CC=C2OCC3=NN=C(N3CC=C)SCC(=O)N)C=C1
Compound: 1-(1-benzotriazolyl)-3-(10-phenothiazinyl)-2-propanol
SMILES: C1=CC=C2C(=C1)N=NN2CC(CN3C4=CC=CC=C4SC5=CC=CC=C53)O
Compound: 4-(4-morpholinylmethyl)-3-quinolinol
SMILES: C1COCCN1CC2=C(C=NC3=CC=CC=C32)O
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide
SMILES: C1CC(CN(C1)C2=NC=CC=N2)C(=O)NC3=CC4=C(C=C3)OCCO4
Compound: 6-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid
SMILES: C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4CC=CCC4C(=O)O
Compound: 2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)hydrazinylidene]propanoic acid
SMILES: CC1=NNC(=NC1=O)NN=C(C)C(=O)O
Compound: 3-(4-methoxyphenyl)-6-phenyl-4-thieno[2,3-d]pyrimidinone
SMILES: COC1=CC=C(C=C1)N2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4
Compound: 4-[[4-(difluoromethoxy)phenyl]methylidene]-2-(3-methylphenyl)isoquinoline-1,3-dione
SMILES: CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C(=CC4=CC=C(C=C4)OC(F)F)C2=O
Compound: 6,8-dimethyl-3-[(3-methyl-1-piperidinyl)-[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl]-1H-quinolin-2-one
SMILES: CC1CCCN(C1)C(C2=CC3=CC(=CC(=C3NC2=O)C)C)C4=NN=NN4CC5CCCO5
Compound: LSM-28055
SMILES: COC1=CC=CC(=C1)C(=O)NN=C2CCCC2C(=O)C(F)(F)F
Compound: LSM-28056
SMILES: CCOC(=O)N1CCN(CC1)C2=[NH+]C=NC3=C2NC4=C3C=C(C=C4)F
Compound: 2-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furanyl]-oxomethyl]amino]pentanedioic acid dimethyl ester
SMILES: CC1=C(C=C(O1)C2=CC3=C(C=C2)OCCO3)C(=O)NC(CCC(=O)OC)C(=O)OC
Compound: 5-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILES: COC1=CC(=C(C=C1)C2=CC(N3C(=N2)N=NN3)C4=CC(=C(C=C4)OC)OC)OC
Compound: 1-(benzenesulfonyl)-3-pyrazolidinone
SMILES: C1CN(NC1=O)S(=O)(=O)C2=CC=CC=C2
Compound: 2-(2-methoxyethyl)-9-methyl-N-[3-(4-methyl-1-piperidinyl)propyl]-1-oxo-4-pyrido[3,4-b]indolecarboxamide
SMILES: CC1CCN(CC1)CCCNC(=O)C2=CN(C(=O)C3=C2C4=CC=CC=C4N3C)CCOC
Compound: 1-(4-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea
SMILES: CC1=CC=C(C=C1)NC(=S)NCC23C=CC(O2)C4C3C(=O)N(C4=O)C5=CC=C(C=C5)C
Compound: 5-(4-propan-2-ylphenyl)-2H-tetrazole
SMILES: CC(C)C1=CC=C(C=C1)C2=NNN=N2
Compound: 1-(4-chlorophenyl)-2-[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]ethanone
SMILES: CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)C3=C(OC=C3)C
Compound: N'-(5-chloro-2-oxo-3-indolyl)-2-thiophen-2-yl-4-quinolinecarbohydrazide
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NNC4=C5C=C(C=CC5=NC4=O)Cl
Compound: N-[5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-pyridinecarboxamide
SMILES: COC1=CC=CC(=C1)C=C2C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3
Compound: 2-[4-ethoxy-2-[2-furanyl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester
SMILES: CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=CO3)N2CC(=O)OC
Compound: 1-(4-methoxyphenyl)-N'-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-5-oxo-3-pyrrolidinecarbohydrazide
SMILES: COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NNC=C3C=C(C=CC3=O)[N+](=O)[O-]
Compound: 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylazepane
SMILES: COC1=CC(=C(C=C1Br)OC)S(=O)(=O)N2CCCCCC2
Compound: 2,3,4,5,6-pentafluoro-N-(phenylmethyl)benzamide
SMILES: C1=CC=C(C=C1)CNC(=O)C2=C(C(=C(C(=C2F)F)F)F)F
Compound: 2,4-dichloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILES: C1CCC2=C(C1)C=CC(=C2)C3=NN=C(O3)NC(=O)C4=C(C=C(C=C4)Cl)Cl
Compound: N-(3-pyridinyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-carboxamide
SMILES: C1COC2=C(SC=C2O1)C(=O)NC3=CN=CC=C3
Compound: N-[1-methyl-5-(4-methylphenyl)-2-imidazolyl]-4-oxo-4-(1-piperidinyl)butanamide
SMILES: CC1=CC=C(C=C1)C2=CN=C(N2C)NC(=O)CCC(=O)N3CCCCC3
Compound: N'-(5-bromo-2-oxo-3-indolyl)-2-[2-(trifluoromethyl)-1-benzimidazolyl]acetohydrazide
SMILES: C1=CC=C2C(=C1)N=C(N2CC(=O)NNC3=C4C=C(C=CC4=NC3=O)Br)C(F)(F)F
Compound: 3-(1-azepanyl)-4-chloro-1-(2-methylphenyl)pyrrole-2,5-dione
SMILES: CC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3
Compound: N-(2-tert-butylphenyl)-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
SMILES: CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)N4CCS(=O)(=O)N=C4S3
Compound: 4-ethyl-5-methyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-3-thiophenecarboxamide
SMILES: CCC1=C(SC=C1C(=O)NC2=NN(C=N2)CC3=CC=CC(=C3)C)C
Compound: 2-cinnamylidene-6-methoxy-3,4-dihydronaphthalen-1-one
SMILES: COC1=CC2=C(C=C1)C(=O)C(=CC=CC3=CC=CC=C3)CC2
Compound: 1-azepanyl-[2-(phenylmethyl)-1-benzimidazolyl]methanone
SMILES: C1CCCN(CC1)C(=O)N2C3=CC=CC=C3N=C2CC4=CC=CC=C4
Compound: 3-(3-chloro-4-methoxyphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-yl-4-piperidinyl)thiourea
SMILES: CC(C)N1CCC(CC1)N(CCOC)C(=S)NC2=CC(=C(C=C2)OC)Cl
Compound: 2-(4-fluoroanilino)-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one
SMILES: CC1=C(C(=O)N=C(N1)NC2=CC=C(C=C2)F)CCC(C)C
Compound: N-(4-methoxyphenyl)-3,4-dihydroquinolin-2-amine
SMILES: COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3CC2
Compound: 2-[2-[2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxo-5-thiazolyl]acetic acid
SMILES: COC1=C(C=CC(=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)OCC3=CC(=CC=C3)Cl
Compound: 9,10-dimethoxy-2,4,6,7-tetrahydro-[1,3]oxazino[4,3-a]isoquinoline-1-carbonitrile
SMILES: COC1=C(C=C2C(=C1)CCN3C2=C(COC3)C#N)OC
Compound: 2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILES: C1CC(=CC2=CC=NC=C2)C(=O)C3=CC=CC=C31
Compound: N-(4-ethylphenyl)-5-(2-furanyl)-3-isoxazolecarboxamide
SMILES: CCC1=CC=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CO3
Compound: 4-[[2-[[cyclohexyl(oxo)methyl]amino]-1-oxo-3-phenylpropyl]amino]-1-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCC(CC1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCCC3
Compound: N-(4-methoxyphenyl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC=CC=C3
Compound: 2-(2,5-dimethoxyanilino)-N-[3-(4-morpholinyl)propyl]-4-quinolinecarboxamide
SMILES: COC1=CC(=C(C=C1)OC)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCOCC4
Compound: N-[[5-(2-chlorophenyl)-2-furanyl]methylideneamino]benzenesulfonamide
SMILES: C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(O2)C3=CC=CC=C3Cl
Compound: 2-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetic acid methyl ester
SMILES: COC(=O)CC1=CC(=O)N(N1)C2=CC=CC=C2
Compound: 1-[4-[2-(4-bromophenoxy)-1-oxoethyl]-1-piperazinyl]-2-(4-methoxyphenoxy)ethanone
SMILES: COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br
Compound: 5-chloro-7-[3-pyridinyl-(2-pyridinylamino)methyl]-8-quinolinol
SMILES: C1=CC=NC(=C1)NC(C2=CN=CC=C2)C3=CC(=C4C=CC=NC4=C3O)Cl
Compound: N-(2-methyl-5-tetrazolyl)-2-naphthalenecarboxamide
SMILES: CN1N=C(N=N1)NC(=O)C2=CC3=CC=CC=C3C=C2
Compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-methylanilino]acetamide
SMILES: CC1=CC=C(C=C1)N(CC(=O)NCCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=C(ON=C3C)C
Compound: 3,7-dichloro-N-[3-(1-imidazolyl)propyl]-6-methoxy-1-benzothiophene-2-carboxamide
SMILES: COC1=C(C2=C(C=C1)C(=C(S2)C(=O)NCCCN3C=CN=C3)Cl)Cl
Compound: N-[(3-chlorophenyl)methylideneamino]-4-quinazolinamine
SMILES: C1=CC=C2C(=C1)C(=NC=N2)NN=CC3=CC(=CC=C3)Cl
Compound: 2-pentan-3-yl-1H-imidazole
SMILES: CCC(CC)C1=NC=CN1
Compound: 3-nitro-N-[(3-sulfamoylanilino)-sulfanylidenemethyl]benzamide
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N
Compound: 3-chloro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester
SMILES: C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=C(C4=CC=CC=C4S3)Cl
Compound: 2-(3-nitrophenyl)-3,1-benzoxazin-4-one
SMILES: C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]
Compound: N-[(4-methyl-5-phenyldiazenyl-2-imidazolylidene)amino]aniline
SMILES: CC1=NC(=NNC2=CC=CC=C2)N=C1N=NC3=CC=CC=C3
Compound: 2-(2-chlorophenyl)-N'-(5-nitro-2-oxo-3-indolyl)-4-quinolinecarbohydrazide
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3Cl)C(=O)NNC4=C5C=C(C=CC5=NC4=O)[N+](=O)[O-]
Compound: N-(3-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)NC2CC3CCC2C3)Br
Compound: N-[3-(1-azepanyl)propyl]-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILES: COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCCCCC4)NC2=O
Compound: 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-phenylacetamide
SMILES: C1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3N2
Compound: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
SMILES: C1COC2=C(O1)C=CC(=C2)N3C(=C4C=CC(=O)C=C4O)NNC3=S
Compound: 7-hydroxy-2-methyl-6-propyl-3-(2-pyridinyl)-1-benzopyran-4-one
SMILES: CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC=CC=N3)O
Compound: N-(3,4-dimethoxyphenyl)-4-[(4-phenyl-1-piperazinyl)methyl]benzamide
SMILES: COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=C4)OC
Compound: 2-amino-6-ethyl-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILES: CCN1CC(=CC2=CC=CS2)C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=CS4
Compound: 4-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester
SMILES: CN1C2=C(C=C1C(=O)OCC(=O)NCC3=CC=CS3)SC=C2
Compound: 1-(3-nitrophenyl)-3-phenyl-2-propyn-1-one
SMILES: C1=CC=C(C=C1)C#CC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
Compound: N-[[(4S,5R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-pyridinecarboxamide
SMILES: C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3(CCCC3)O)O[C@H]1CN(C)C(=O)C4=CN=CC=C4)[C@@H](C)CO
Compound: (2R,3S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(2-pyridinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
SMILES: C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3(CCCC3)O)O[C@H]1CN(C)CC4=CC=CC=N4)[C@H](C)CO
Compound: LSM-28114
SMILES: C[C@@H]1CN(C(=O)C2=CC(=CN=C2O[C@@H]1CNC)C=CC3=CC=CC=C3)[C@@H](C)CO
Compound: (2R)-2-[(4R,5R)-8-(3-methoxyprop-1-ynyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
SMILES: C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCOC)O[C@H]1CN(C)CC3=CC=CC=N3)[C@H](C)CO
Compound: (2R,3R,3aS,9bS)-7-(1-cyclohexenyl)-1-[2-(dimethylamino)-1-oxoethyl]-3-(hydroxymethyl)-6-oxo-N-(2-thiazolyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CN(C)CC(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CCCCC4)[C@H]([C@@H]1C(=O)NC5=NC=CS5)CO
Compound: (2R,3R,3aS,9bS)-N,1-diethyl-3-(hydroxymethyl)-6-oxo-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@H]2N1CC)CO
Compound: (2S,3S,3aR,9bR)-7-(1-cyclohexenyl)-1-[2-(dimethylamino)-1-oxoethyl]-3-(hydroxymethyl)-6-oxo-N-(2-thiazolyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CN(C)CC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CCCCC4)[C@@H]([C@H]1C(=O)NC5=NC=CS5)CO
Compound: (2S,3S,3aR,9bR)-N,1-diethyl-3-(hydroxymethyl)-6-oxo-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@@H]2N1CC)CO
Compound: N-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]methanesulfonamide
SMILES: CS(=O)(=O)NCCSC1=CC(=NC2=CC=CC=C21)C(F)(F)F
Compound: N'-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-(2-quinolinylthio)acetohydrazide
SMILES: C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)NNC=C3C=CC(=O)C=C3
Compound: 2-(4-methylanilino)-1-(4-nitrophenyl)ethanone
SMILES: CC1=CC=C(C=C1)NCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Compound: 5-tert-butyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(phenylmethyl)-3-pyrazolecarboxamide
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=CC(=NN2CC3=CC=CC=C3)C(C)(C)C
Compound: 4-(methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile
SMILES: CC1=CC=CC=C1NC2=C(C(=CC(=N2)C)COC)C#N
Compound: N-[[5-(4-nitrophenyl)-2-furanyl]methylideneamino]-3-pyridinecarboxamide
SMILES: C1=CC(=CN=C1)C(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
Compound: 2-fluoro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide
SMILES: COC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CF)[N+](=O)[O-]
Compound: 7-[(2,6-dimethyl-4-morpholinyl)methyl]-5-thiazolo[3,2-a]pyrimidinone
SMILES: CC1CN(CC(O1)C)CC2=CC(=O)N3C=CSC3=N2
Compound: 5-bromo-2-furancarboxylic acid (3-benzamidophenyl) ester
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OC(=O)C3=CC=C(O3)Br
Compound: 2-nitro-4-[[(4-phenyl-2-thiazolyl)hydrazo]methylidene]-1-cyclohexa-2,5-dienone
SMILES: C1=CC=C(C=C1)C2=CSC(=N2)NNC=C3C=CC(=O)C(=C3)[N+](=O)[O-]
Compound: 6-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-2-one
SMILES: CC1=CC=C(C=C1)C(=O)CC2=NC3=C(C=CC(=C3)C)OC2=O
Compound: 3-[(2-chlorophenyl)methyl]-N-phenyl-7-triazolo[4,5-d]pyrimidinamine
SMILES: C1=CC=C(C=C1)NC2=NC=NC3=C2N=NN3CC4=CC=CC=C4Cl
Compound: 5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine
SMILES: CC1=C(C(=CC=C1)C)OC2=NC(=NC=C2S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4
Compound: 2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILES: CC1=NN(C(=O)C2=CC3=C(N12)C=CC(=C3)OC)CC(=O)NCCCOC(C)C
Compound: 2-(1H-benzimidazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone
SMILES: CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3N2
Compound: 1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
SMILES: COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)CN5CCN(CC5)C6=CC=C(C=C6)F
Compound: 4-(4-phenyl-2-thiazolyl)-N-prop-2-enylbenzamide
SMILES: C=CCNC(=O)C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=CC=C3
Compound: 2-(2,5-dioxo-4,4-dipropyl-1-imidazolidinyl)-N-(3-methoxyphenyl)acetamide
SMILES: CCCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC(=CC=C2)OC)CCC
Compound: LSM-28138
SMILES: COCCN1C(C(C(=O)C1=O)C(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)C(=O)OC
Compound: 1-[1-(1-cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
SMILES: CC(C)C(C1=NN=NN1C2CCCC2)N3CCN(CC3)C4=CC=CC=C4F
Compound: 2-(4-bromo-3-methylphenyl)-4-[(3-methoxypropylamino)methylidene]-5-methyl-3-pyrazolone
SMILES: CC1=C(C=CC(=C1)N2C(=O)C(=CNCCCOC)C(=N2)C)Br
Compound: 7-chloro-N-(2-furanylmethyl)-4-quinazolinamine
SMILES: C1=COC(=C1)CNC2=NC=NC3=C2C=CC(=C3)Cl
Compound: N-(2-methoxyethyl)-4-oxo-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
SMILES: COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCN3CCCC3=O
Compound: N-[(5-bromo-2-furanyl)methylideneamino]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=CC=C(O3)Br
Compound: 2-[[2-[(4-methoxyphenyl)methyl]-1,3-dioxo-4-isoquinolinylidene]methylamino]benzoic acid
SMILES: COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=CNC4=CC=CC=C4C(=O)O)C2=O
Compound: 3,3,3-trifluoro-2-[[(4-hydroxyanilino)-oxomethyl]amino]-2-phenylpropanoic acid ethyl ester
SMILES: CCOC(=O)C(C1=CC=CC=C1)(C(F)(F)F)NC(=O)NC2=CC=C(C=C2)O
Compound: 7-[[2-(4-chloro-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES: CC1=NN(C=C1Cl)C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O
Compound: 1-[4-(3-ethoxyphenoxy)butyl]imidazole
SMILES: CCOC1=CC(=CC=C1)OCCCCN2C=CN=C2
Compound: 1-(3,5-dimethylphenyl)-3-(3-ethoxypropyl)thiourea
SMILES: CCOCCCNC(=S)NC1=CC(=CC(=C1)C)C
Compound: 2-amino-4-pyridin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SMILES: C1CCC2=C(CC1)N=C(C(=C2C3=CC=NC=C3)C#N)N
Compound: 3-chloro-4-(dimethylamino)-6-(4-nitrophenyl)-2-pyranone
SMILES: CN(C)C1=C(C(=O)OC(=C1)C2=CC=C(C=C2)[N+](=O)[O-])Cl
Compound: 5-amino-4a-methyl-1,2,3,4,4a,4b,7,8,8a,8b-decahydro-1,3,6,8-tetraazabiphenylene-2,4,7-trione
SMILES: C12C(C3(C1NC(NC3=O)=O)C)C(=NC(N2)=O)N