MonarchInit/C3PO huggingface dataset:
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-5-thiophen-2-yl-4-triazolecarboxamide
SMILES: CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=CS3)C4=CC(=CC=C4)O
Compound: 2-(2-chloroanilino)-4-oxo-4-phenylbutanoic acid (2-oxo-2-thiophen-2-ylethyl) ester
SMILES: C1=CC=C(C=C1)C(=O)CC(C(=O)OCC(=O)C2=CC=CS2)NC3=CC=CC=C3Cl
Compound: N-[(4-bromo-5-methyl-2-furanyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILES: CC1=C(C=C(O1)C=NNC(=O)C(C)N(C2=CC=C(C=C2)OC)S(=O)(=O)C)Br
Compound: 4-(4-bromophenyl)sulfonyl-2-(2-furanyl)-5-(methylthio)oxazole
SMILES: CSC1=C(N=C(O1)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)Br
Compound: N-[[5-chloro-1-(2-chlorophenyl)-3-methyl-4-pyrazolyl]methylideneamino]carbamic acid ethyl ester
SMILES: CCOC(=O)NN=CC1=C(N(N=C1C)C2=CC=CC=C2Cl)Cl
Compound: 6-tert-butyl-N-[(1-methyl-2-pyrrolyl)methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
SMILES: CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN=CC3=CC=CN3C
Compound: 2-hydroxy-N-[(6-methyl-4-oxo-1-benzopyran-3-yl)methylideneamino]benzamide
SMILES: CC1=CC2=C(C=C1)OC=C(C2=O)C=NNC(=O)C3=CC=CC=C3O
Compound: 5-[1-[cyclohexyl(oxo)methyl]-3-piperidinyl]-3-[(2,5-dimethylphenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one
SMILES: CC1=CC(=C(C=C1)C)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)C(=O)C5CCCCC5
Compound: 1-(3,5-dimethylphenyl)-5-[[4-(4-morpholinyl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILES: CC1=CC(=CC(=C1)N2C(=O)C(=CNC3=CC=C(C=C3)N4CCOCC4)C(=O)NC2=S)C
Compound: 5-[(4-fluorophenyl)methyl]-7-(4-methylphenyl)sulfonyl-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC4=C(C=C3C2=O)OCO4)CC5=CC=C(C=C5)F
Compound: 6,6,6-trifluoro-5-hydroxy-1,5-diphenyl-1-hexen-3-one
SMILES: C1=CC=C(C=C1)C=CC(=O)CC(C2=CC=CC=C2)(C(F)(F)F)O
Compound: (2S)-2-[[oxo-[5-[oxo-(4-phenyl-1-piperazinyl)methyl]-1H-imidazol-4-yl]methyl]amino]-3-phenylpropanoic acid tert-butyl ester
SMILES: CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCN(CC3)C4=CC=CC=C4
Compound: 1-(2-chlorophenyl)-3-[4-(1-piperidinylmethyl)phenyl]urea
SMILES: C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3Cl
Compound: 6-ethyl-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILES: CCC1=C(N=C2C(=C(NN2C1=O)C)C#N)C
Compound: 2-[[2-(3,5-dimethyl-1-pyrazolyl)-6-methyl-4-pyrimidinyl]amino]ethanol
SMILES: CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)NCCO
Compound: N-(2-fluorophenyl)-2-[[7-(2-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl]thio]acetamide
SMILES: CN1C2=C(C(=NC(=N2)C3=CC=CC=C3F)SCC(=O)NC4=CC=CC=C4F)C(=O)N(C1=O)C
Compound: 10-desacetyltaxuyunnanin C
SMILES: [H][C@]12[C@H](CC(C)=C([C@@H](O)C[C@]3(C)CC[C@H](OC(C)=O)C(=C)[C@@]3([H])[C@@H]1OC(C)=O)C2(C)C)OC(C)=O
Compound: 2-(5-bromo-2-furanyl)-6-methyl-3,1-benzoxazin-4-one
SMILES: CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=C(O3)Br
Compound: 2-chloro-5-[[[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid
SMILES: COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O)OC
Compound: N-(5-acetyl-4-methyl-2-thiazolyl)-2-(2,4-dichlorophenoxy)acetamide
SMILES: CC1=C(SC(=N1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)C(=O)C
Compound: 3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILES: COC1=CC=CC(=C1O)C2NC3=CC=CC=C3C(=O)N2O
Compound: 3-(4,7-dimethyl-1-quinolin-1-iumyl)-1-propanesulfonic acid
SMILES: CC1=CC2=[N+](C=CC(=C2C=C1)C)CCCS(=O)(=O)O
Compound: 5-bromo-N-(pyridin-4-ylmethyl)-2-thiophenesulfonamide
SMILES: C1=CN=CC=C1CNS(=O)(=O)C2=CC=C(S2)Br
Compound: N,N-di(propan-2-yl)-2-[(1-propyl-5-tetrazolyl)thio]acetamide
SMILES: CCCN1C(=NN=N1)SCC(=O)N(C(C)C)C(C)C
Compound: 6-[[[(5-bromo-3-phenyl-1H-indol-2-yl)-oxomethyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoic acid
SMILES: COC1=C(C(=C(C=C1)C=NNC(=O)C2=C(C3=C(N2)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O)OC
Compound: 3-(5-bromo-2-methoxyphenyl)-N-[[4-(4-morpholinylmethyl)anilino]-sulfanylidenemethyl]-2-propenamide
SMILES: COC1=C(C=C(C=C1)Br)C=CC(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3
Compound: N-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,4-dioxin-5-carboxamide
SMILES: COC1=CC=C(C=C1)CCNC(=O)C2=COCCO2
Compound: 4-(2,4-dichlorophenoxy)-N-(3-pyridinyl)butanamide
SMILES: C1=CC(=CN=C1)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl
Compound: 2-cyano-N-(1,1-dioxo-3-thiolanyl)-3-[2-(2-fluorophenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenamide
SMILES: C1CS(=O)(=O)CC1NC(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)OC4=CC=CC=C4F)C#N
Compound: 2-[[4-(2,5-dimethylphenyl)-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILES: CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3=NN=C(S3)C)C4=C(OC=C4)C
Compound: N,N,4-trimethyl-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]-5-thiazolecarboxamide
SMILES: CC1=CC=C(O1)C(=O)NC2=NC(=C(S2)C(=O)N(C)C)C
Compound: N-(1H-benzimidazol-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
SMILES: CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC4=CC=CC=C4N3
Compound: 3-(phenylmethylene)-1-isobenzofuranone
SMILES: C1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)O2
Compound: 5-[3-(2-chlorophenyl)-1-oxoprop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester
SMILES: CC1=C(NC(=C1C(=O)OC)C)C(=O)C=CC2=CC=CC=C2Cl
Compound: 5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-(3-methyl-1-piperidinyl)-3-oxopropyl]-4-phenyl-1-benzopyran-2-one
SMILES: CC1CCCN(C1)C(=O)CC(C2=CC=C(C=C2)OC)C3=C(C=C(C4=C3OC(=O)C=C4C5=CC=CC=C5)OC)OC
Compound: 6-methyl-4-(trifluoromethyl)-7,8,9,10-tetrahydropyrano[2,3-f]quinolin-2-one
SMILES: CC1=C2C(=C3C(=C1)C(=CC(=O)O3)C(F)(F)F)CCCN2
Compound: 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(4-phenyl-1-piperidinyl)methyl]oxazole
SMILES: CC1=C(N=C(O1)C2=C(C=CC(=C2)OC)F)CN3CCC(CC3)C4=CC=CC=C4
Compound: 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILES: C1CCC2=C(C1)N=C(S2)NC(=O)CN3C4=CC=CC=C4SC3=O
Compound: 2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-phenylpropanenitrile
SMILES: C1=CC=C(C=C1)C(=O)C(=NNC2=CC=C(C=C2)Cl)C#N
Compound: N-propan-2-yl-3-(trifluoromethyl)benzamide
SMILES: CC(C)NC(=O)C1=CC(=CC=C1)C(F)(F)F
Compound: 2-(4-chlorophenyl)-3-methyl-N-(2-thiazolyl)butanamide
SMILES: CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=NC=CS2
Compound: N'-(3-indolylidenemethyl)-2-phenyl-1-cyclopropanecarbohydrazide
SMILES: C1C(C1C(=O)NNC=C2C=NC3=CC=CC=C32)C4=CC=CC=C4
Compound: 4-nitrobenzoic acid [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]methyl ester
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Compound: 2-[[3-(2-furanyl)-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid
SMILES: CC1=C(SC(=C1C(=O)O)NC(=O)C=CC2=CC=CO2)C
Compound: N-[[5-chloro-1-[(4-chlorophenyl)methyl]-3-methyl-4-pyrazolyl]methylideneamino]-2-(2-fluoroanilino)acetamide
SMILES: CC1=NN(C(=C1C=NNC(=O)CNC2=CC=CC=C2F)Cl)CC3=CC=C(C=C3)Cl
Compound: 3-oxo-2-[(6-oxo-1-phenyl-3-pyridazinyl)oxy]butanoic acid ethyl ester
SMILES: CCOC(=O)C(C(=O)C)OC1=NN(C(=O)C=C1)C2=CC=CC=C2
Compound: 1-spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]thione
SMILES: C1CCC2(CC1)CC3=CC=CC=C3C(=S)N2
Compound: 10-hydroxycaprate
SMILES: OCCCCCCCCCC([O-])=O
Compound: (3-bromophenyl)-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]methanone
SMILES: CCC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)C3=CC(=CC=C3)Br
Compound: 6,8-dibromo-2-thiophen-2-ylquinoline
SMILES: C1=CSC(=C1)C2=NC3=C(C=C(C=C3C=C2)Br)Br
Compound: N-(5-bromo-8-quinolinyl)-5-[(4-chloro-1-pyrazolyl)methyl]-2-furancarboxamide
SMILES: C1=CC2=C(C=CC(=C2N=C1)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)Cl)Br
Compound: 1-(2-methoxyphenyl)-3-(2-pyridinyl)thiourea
SMILES: COC1=CC=CC=C1NC(=S)NC2=CC=CC=N2
Compound: 5-[[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy]methyl]-2-furancarboxylic acid
SMILES: CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC4=CC=C(O4)C(=O)O
Compound: 1-(cycloheptylideneamino)-3-[2-(trifluoromethyl)phenyl]thiourea
SMILES: C1CCCC(=NNC(=S)NC2=CC=CC=C2C(F)(F)F)CC1
Compound: 4-[3-[methyl(2-phenylethyl)amino]butyl]phenol
SMILES: CC(CCC1=CC=C(C=C1)O)N(C)CCC2=CC=CC=C2
Compound: (2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester
SMILES: C[C@@H](C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)N3C(=O)C4CCCCC4C3=O
Compound: N-(1-acetyl-2-chloro-3-indolyl)-2-chloroacetamide
SMILES: CC(=O)N1C2=CC=CC=C2C(=C1Cl)NC(=O)CCl
Compound: N-[2-(3-methyl-1-oxobutyl)-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
SMILES: CC(C)CC(=O)N1C(=O)N=C(S1)NC(=O)C2=CC=CC=C2
Compound: 3-methoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide
SMILES: COC1=CC(=CC=C1)OCCNC(=O)C2=CC(=CC=C2)OC
Compound: 1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(2-methylphenyl)-1-[2-(4-morpholinyl)ethyl]thiourea
SMILES: CCN1CCCC2=C1C=CC(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC=CC=C4C
Compound: 2-[[1-(2-methoxyethyl)-5-tetrazolyl]thio]-1-phenylethanone
SMILES: COCCN1C(=NN=N1)SCC(=O)C2=CC=CC=C2
Compound: N-{3-[(2-phenylquinazolin-4-yl)amino]phenyl}acetamide
SMILES: C1(=NC(=NC2=CC=CC=C21)C3=CC=CC=C3)NC=4C=CC=C(NC(C)=O)C4
Compound: 6-[(2-methoxyphenyl)methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
SMILES: COC1=CC=CC=C1CNS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)O
Compound: 4-cinnamylidene-2-(2-phenylethenyl)-5-oxazolone
SMILES: C1=CC=C(C=C1)C=CC=C2C(=O)OC(=N2)C=CC3=CC=CC=C3
Compound: LSM-24476
SMILES: COC1=CC=CC=C1C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC(=CC=C6)OCC(=O)O)S5
Compound: N-[3-[2-(4-chloroanilino)-4-thiazolyl]phenyl]-3-(trifluoromethyl)benzamide
SMILES: C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=CSC(=N3)NC4=CC=C(C=C4)Cl
Compound: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester
SMILES: CC1=C(C=C(C=C1)C(=O)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2)S(=O)(=O)N4CCOCC4
Compound: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
SMILES: C1=COC(=C1)C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Cl
Compound: N-[[(5-methyl-1H-pyrazol-3-yl)amino]-oxomethyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILES: CC1=CC(=NN1)NC(=O)NC(=O)C2=CC(=CC=C2)OC(C(F)F)(F)F
Compound: 5-bromo-6-chloro-N-(4-methyl-2-pyridinyl)-3-pyridinesulfonamide
SMILES: CC1=CC(=NC=C1)NS(=O)(=O)C2=CC(=C(N=C2)Cl)Br
Compound: 3-(2-furanyl)-N-[[[4-(4-methylphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-2-propenamide
SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C=CC3=CC=CO3
Compound: 6-methoxy-3-[[[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC3=CC=CC=C3)CC4=NN=NN4CC5CCCO5
Compound: N-(1H-benzimidazol-2-ylmethyl)-4-(1-pyrrolidinylsulfonyl)benzamide
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4N3
Compound: 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclooctylacetamide
SMILES: C1CCCC(CCC1)NC(=O)CN2CCCN(C2=O)CC3=C(C=C(C=C3)F)Cl
Compound: N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-furancarboxamide
SMILES: C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)Cl
Compound: 2-[[4-(1-pyrrolidinylsulfonyl)phenyl]hydrazinylidene]propanedinitrile
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NN=C(C#N)C#N
Compound: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-pyridinyl)-1-benzimidazolyl]methyl]-1H-1,2,4-triazole-5-thione
SMILES: C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)CN4C5=CC=CC=C5N=C4C6=CC=CC=N6
Compound: 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone
SMILES: CCS(=O)(=O)N1CCC(CC1)C(=O)N2CCC3=CC=CC=C3C2
Compound: N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-2-anthracenecarboxamide
SMILES: CC1=C(C2=CC=CC=C2N1)CCNC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]
Compound: 3-(4-nitrophenyl)-2H-phthalazine-1,4-dione
SMILES: C1=CC=C2C(=C1)C(=O)NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]
Compound: 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3-(4-morpholinyl)propyl]thiourea
SMILES: C1COCCN1CCCNC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3
Compound: 1-(4-methoxyphenyl)-3-[3-(1-piperidinylsulfonyl)phenyl]thiourea
SMILES: COC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3
Compound: 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine
SMILES: COC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)Cl
Compound: 3-hex-1-ynyl-5H-indazolo[2,3-a][3,1]benzoxazine
SMILES: CCCCC#CC1=CC2=C(C=C1)N3C(=C4C=CC=CC4=N3)OC2
Compound: 1-(3-chlorophenyl)-3-(9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl)thiourea
SMILES: C1CCC(C1)N2C3CCCC2CC(C3)NC(=S)NC4=CC(=CC=C4)Cl
Compound: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-one
SMILES: CC1=CC=C(C=C1)N2C(=NN(C2=O)C3=C(C=C(C=N3)C(F)(F)F)Cl)C
Compound: 5-amino-4-(1,3-benzothiazol-2-yl)-1-phenyl-2H-pyrrol-3-one
SMILES: C1C(=O)C(=C(N1C2=CC=CC=C2)N)C3=NC4=CC=CC=C4S3
Compound: N-(1,3-benzodioxol-5-yl)-4-(4-morpholinylmethyl)benzamide
SMILES: C1COCCN1CC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4
Compound: N-[2,5-dimethoxy-4-[[2-(4-morpholinyl)-1-oxoethyl]amino]phenyl]benzamide
SMILES: COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CN3CCOCC3
Compound: N-(2-oxolanylmethyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
SMILES: C1CC(OC1)CNC2=NC=NC3=C2C=NN3C4=CC=CC=C4
Compound: 3-[(1-tert-butyl-5-tetrazolyl)-[2-furanylmethyl(2-oxolanylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
SMILES: CC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=CC(=C3)OC)NC2=O)N(CC4CCCO4)CC5=CC=CO5
Compound: N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxo-1-pyrrolidinyl)benzamide
SMILES: C1CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4
Compound: LSM-24504
SMILES: COC1=C(C=C(C=C1)C=CC(=O)C2C(=O)NC(=O)N(C2=O)CCC3=CCCCC3)OC
Compound: N4-(2-furanylmethyl)-N2-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
SMILES: COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N
Compound: 1-ethyl-4-hydroxy-2-oxo-N'-(1-oxodecyl)-3-quinolinecarbohydrazide
SMILES: CCCCCCCCCC(=O)NNC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC)O
Compound: 2-[[1-oxo-2-[2-oxo-2-(1-piperidinyl)ethyl]-5-isoquinolinyl]oxy]acetic acid ethyl ester
SMILES: CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCCCC3
Compound: 2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester
SMILES: COC(=O)C1=C(SC=C1)NC(=O)CCC2=CC=CC=C2
Compound: 1-(3-chlorophenyl)-3-(thiophen-2-ylmethyl)thiourea
SMILES: C1=CC(=CC(=C1)Cl)NC(=S)NCC2=CC=CS2
Compound: 2-(3-chlorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazine-7-thione
SMILES: CC1=C2C(=NNC(=S)C2=NN1C3=CC(=CC=C3)Cl)C
Compound: N-(1,3-benzodioxol-5-yl)-6-bromo-2-pyrazolo[1,5-a]pyrimidinecarboxamide
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)C3=NN4C=C(C=NC4=C3)Br
Compound: N-(3,4-dimethoxyphenyl)-4-methoxybenzamide
SMILES: COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)OC)OC
Compound: 4-[1-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-3-oxo-1H-isoindol-2-yl]-1-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCC(CC1)N2C(C3=CC=CC=C3C2=O)NC4=CC5=C(C=C4)C(=CC(=O)O5)C
Compound: 4-[(5-methyl-2-furanyl)methylidene]-3-(4-methylphenyl)-5-isoxazolone
SMILES: CC1=CC=C(C=C1)C2=NOC(=O)C2=CC3=CC=C(O3)C
Compound: 2-(3,3-dimethyl-2-oxobutylidene)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-thiazolidinone
SMILES: CC(C)(C)C(=O)C=C1NC(=O)C(=CC2=CC(=C(C=C2)OC)O)S1
Compound: LSM-24516
SMILES: CC1=C2COC(CC2=C3C4=C(C(=O)N(C(=N4)NCCN)C5=CC(=CC=C5)Cl)SC3=N1)(C)C
Compound: 6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-4-quinolinamine
SMILES: CC1=NC2=C(C=C(C=C2)OC)C(=C1)NCC3=CC(=CC=C3)C(F)(F)F
Compound: 2-(2-methoxyethylthio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILES: CC1=NN=C(S1)NC(=O)C2=CC=CC=C2SCCOC
Compound: 2-(1-benzimidazolyl)acetic acid [2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)COC(=O)CN3C=NC4=CC=CC=C43
Compound: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester
SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(N-methylanilino)methyl]-N'-[1-(6-oxo-1-cyclohexa-2,4-dienylidene)ethyl]-4-triazolecarbohydrazide
SMILES: CC(=C1C=CC=CC1=O)NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C4=CC=CC=C4
Compound: 4,5-dimethoxy-2,3-dihydroinden-1-one
SMILES: COC1=C(C2=C(C=C1)C(=O)CC2)OC
Compound: N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILES: COC1=C(C=C(C=C1)NC(=O)CCC(=O)C2=CC=CS2)S(=O)(=O)NC3=CC=CC=C3Cl
Compound: 2-cyclopropyl-N'-[1-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethyl]-4-quinolinecarbohydrazide
SMILES: CC(=C1C=CC(=O)C=C1O)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4
Compound: N-[2,5-diethoxy-4-[[ethylamino(sulfanylidene)methyl]amino]phenyl]-2-thiophenecarboxamide
SMILES: CCNC(=S)NC1=C(C=C(C(=C1)OCC)NC(=O)C2=CC=CS2)OCC
Compound: N,N-diethyl-2-[(3-thiophen-2-yl-7-isothiazolo[4,5-d]pyrimidinyl)thio]acetamide
SMILES: CCN(CC)C(=O)CSC1=NC=NC2=C1SN=C2C3=CC=CS3
Compound: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(diphenylmethyl)acetamide
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CN3C(=NC(=N3)[N+](=O)[O-])Br
Compound: 2-chloro-3-(3-methoxypropylimino)naphthalene-1,4-dione
SMILES: COCCCN=C1C(C(=O)C2=CC=CC=C2C1=O)Cl
Compound: 2-[[oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester
SMILES: CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CS3
Compound: 4-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]morpholine
SMILES: CC1CCC2=C(C1)SC3=NC(=NC(=C23)N4CCC5=CC(=C(C=C5C4)OC)OC)CN6CCOCC6
Compound: 2-(3-acetyl-1-indolyl)-N-(2,4-dimethylphenyl)acetamide
SMILES: CC1=CC(=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C)C
Compound: 2,2-dimethyl-5-[(4-methylphenyl)hydrazinylidene]-4-oxanone
SMILES: CC1=CC=C(C=C1)NN=C2COC(CC2=O)(C)C
Compound: N'-(benzenesulfonyl)-3-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanehydrazide
SMILES: CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NNS(=O)(=O)C3=CC=CC=C3
Compound: 5-chloro-N-(1,3-dioxo-5-isoindolyl)-2-thiophenecarboxamide
SMILES: C1=CC2=C(C=C1NC(=O)C3=CC=C(S3)Cl)C(=O)NC2=O
Compound: 1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
SMILES: CN(C)CCCN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=O)NC3=CC=CC=C3
Compound: 2-furancarboxylic acid [[amino-(3,4-dimethoxyphenyl)methylidene]amino] ester
SMILES: COC1=C(C=C(C=C1)C(=NOC(=O)C2=CC=CO2)N)OC
Compound: 3-ethoxy-N-[(3-pyridinylamino)-sulfanylidenemethyl]benzamide
SMILES: CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CN=CC=C2
Compound: 4-methyl-N-[[4-oxo-4-(2-pyridinylamino)butan-2-ylidene]amino]benzamide
SMILES: CC1=CC=C(C=C1)C(=O)NN=C(C)CC(=O)NC2=CC=CC=N2
Compound: 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide
SMILES: CC1(CC2=CC=CC=C2C(=CC(=O)NC)N1)C
Compound: 1-(2,4-difluorophenyl)-3-[4-(2-pyridinyl)-2-thiazolyl]urea
SMILES: C1=CC=NC(=C1)C2=CSC(=N2)NC(=O)NC3=C(C=C(C=C3)F)F
Compound: 3-chloro-N-[(1-methyl-2-pyrrolyl)methylideneamino]-1-benzothiophene-2-carboxamide
SMILES: CN1C=CC=C1C=NNC(=O)C2=C(C3=CC=CC=C3S2)Cl
Compound: LSM-24543
SMILES: COC1=CC(=C(C=C1)OC)C2C3=C(C4=CC=CC=C4CC3)N=C5N2C(=O)C(=CC6=CC(=CC=C6)O)S5
Compound: 3,5-dimethoxy-N-[(2-phenylethylamino)-sulfanylidenemethyl]benzamide
SMILES: COC1=CC(=CC(=C1)C(=O)NC(=S)NCCC2=CC=CC=C2)OC
Compound: 2-(2,4-dimethoxyphenyl)-N-[1-(2-furanyl)ethylideneamino]-4-quinolinecarboxamide
SMILES: CC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(C=C(C=C3)OC)OC)C4=CC=CO4
Compound: 2-oxo-4,6-dithiophen-2-yl-1H-pyridine-3-carbonitrile
SMILES: C1=CSC(=C1)C2=CC(=C(C(=O)N2)C#N)C3=CC=CS3
Compound: 7-methoxy-2-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-3-quinolinecarbonitrile
SMILES: CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC4=C(C=CC(=C4)OC)C=C3C#N
Compound: 3-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
SMILES: CN1C(=O)N=C(S1)NC(=O)C2=CC(=CC=C2)Cl
Compound: 1-[(2,3-dimethyl-4-imidazolyl)methyl]-N-[4-(2-furanyl)phenyl]-3-piperidinecarboxamide
SMILES: CC1=NC=C(N1C)CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC=CO4
Compound: 2-[2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoic acid
SMILES: CC(=NNC1=CC=CC=C1C(=O)O)C2=CC=CS2
Compound: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(1-pyrrolidinylsulfonyl)benzamide
SMILES: CC(C)[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4
Compound: 4-amino-3-(3,4-dimethylphenyl)-N-(2-fluorophenyl)-2-sulfanylidene-5-thiazolecarboxamide
SMILES: CC1=C(C=C(C=C1)N2C(=C(SC2=S)C(=O)NC3=CC=CC=C3F)N)C
Compound: 2-[(4-methoxyphenyl)methylideneamino]-5-phenyl-3-furancarbonitrile
SMILES: COC1=CC=C(C=C1)C=NC2=C(C=C(O2)C3=CC=CC=C3)C#N
Compound: 3-fluoro-6a,7,8,9,10,11-hexahydro-6H-azepino[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
SMILES: C1CCC2NS(=O)(=O)C3=C(N2CC1)C=CC(=C3)F
Compound: 2-[(1-methyl-3-indolyl)thio]-1-(4-phenyl-1-piperazinyl)ethanone
SMILES: CN1C=C(C2=CC=CC=C21)SCC(=O)N3CCN(CC3)C4=CC=CC=C4
Compound: 2-amino-4-(5-bromo-2-thiophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILES: C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=C(S3)Br
Compound: 3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione
SMILES: CCC1=CC=C(C=C1)OCC2=NNC(=S)N2C(C)CCCC(C)C
Compound: 2-[2,4-dioxo-3-(phenylmethyl)-1-quinazolinyl]-N-(5-methyl-3-isoxazolyl)acetamide
SMILES: CC1=CC(=NO1)NC(=O)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CC=C4
Compound: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide
SMILES: C1=CC(=CC=C1CCNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)S(=O)(=O)N
Compound: N-(4-amino-2-oxo-1-benzopyran-3-yl)acetamide
SMILES: CC(=O)NC1=C(C2=CC=CC=C2OC1=O)N
Compound: 2-[(2-oxo-1-propan-2-yl-3-indolylidene)methyl]-3-phenyl-4-quinazolinone
SMILES: CC(C)N1C2=CC=CC=C2C(=CC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)C1=O
Compound: 2-[2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester
SMILES: CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl
Compound: 4-[(2,4-dimethoxyanilino)methylidene]-2-(6-methyl-2-pyridinyl)isoquinoline-1,3-dione
SMILES: CC1=NC(=CC=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=C(C=C(C=C4)OC)OC)C2=O
Compound: N-(3-hydroxyphenyl)-5-methyl-3-furancarboxamide
SMILES: CC1=CC(=CO1)C(=O)NC2=CC(=CC=C2)O
Compound: N-(1-cyclopropylethylideneamino)-2-(1-pyrrolyl)benzamide
SMILES: CC(=NNC(=O)C1=CC=CC=C1N2C=CC=C2)C3CC3
Compound: 1-(2,4-difluorophenyl)-3-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]urea
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)CNC(=O)NC3=C(C=C(C=C3)F)F
Compound: 2-furancarboxylic acid [4-[[[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]hydrazinylidene]methyl]phenyl] ester
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=C(C=C3)OC(=O)C4=CC=CO4)CC5=CC=CC=C5
Compound: 2-(4-methyl-1-piperazinyl)aniline
SMILES: CN1CCN(CC1)C2=CC=CC=C2N
Compound: N-[2-(4-methoxyphenoxy)ethyl]-5-(4-morpholinyl)-2-nitroaniline
SMILES: COC1=CC=C(C=C1)OCCNC2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-]
Compound: (5R)-5-tert-butyl-1-[(3S)-3-[(4-methylphenyl)thio]-3-phenylpropyl]-2-azepanone
SMILES: CC1=CC=C(C=C1)S[C@@H](CCN2CC[C@@H](CCC2=O)C(C)(C)C)C3=CC=CC=C3
Compound: 2-[[3-(4-methoxyphenyl)-7-triazolo[4,5-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide
SMILES: COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)NCC4CCCO4)N=N2
Compound: 2-[(3,5-dichlorophenyl)hydrazinylidene]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile
SMILES: C1CCC2=NN=C(N2CC1)C(=NNC3=CC(=CC(=C3)Cl)Cl)C#N
Compound: 1-(4-methoxyphenyl)-3-(4-morpholinyl)-2-propen-1-one
SMILES: COC1=CC=C(C=C1)C(=O)C=CN2CCOCC2
Compound: 2-[1-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester
SMILES: COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl
Compound: 4-[[1-[(3,4-dichlorophenyl)methyl]-3-indolyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILES: CC1=C(C(=O)NN1)C(C2=CN(C3=CC=CC=C32)CC4=CC(=C(C=C4)Cl)Cl)C5=C(NNC5=O)C
Compound: N-(3-chlorophenyl)-2-[[2-(2-pyridinyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]thio]acetamide
SMILES: C1=CC=NC(=C1)C2NN=C(S2)SCC(=O)NC3=CC(=CC=C3)Cl
Compound: 2-(2-naphthalenylsulfonylamino)acetic acid [2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl] ester
SMILES: CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3
Compound: N-(4-acetylphenyl)-2-[[1-(3,5-dimethoxyphenyl)-5-tetrazolyl]thio]acetamide
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC(=CC(=C3)OC)OC
Compound: 2-cyano-3-(1-methyl-3-indolyl)-N-(3-nitrophenyl)-2-propenamide
SMILES: CN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
Compound: N-cyclopentyl-2-imino-1-[3-(4-morpholinyl)propyl]-5-oxo-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarboxamide
SMILES: C1CCC(C1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCCN5CCOCC5
Compound: LSM-24581
SMILES: CCCC1C2(C(=N)OC3(O1)CCCCC3C2(C#N)C#N)C#N
Compound: 2-(trifluoromethyl)benzoic acid [[amino-(4-chloro-1-methyl-3-pyrazolyl)methylidene]amino] ester
SMILES: CN1C=C(C(=N1)C(=NOC(=O)C2=CC=CC=C2C(F)(F)F)N)Cl
Compound: 6-amino-3-tert-butyl-4-thiophen-2-yl-2,4-dihydroisoxazolo[5,4-b]pyridine-5-carbonitrile
SMILES: CC(C)(C)C1=C2C(C(=C(N=C2ON1)N)C#N)C3=CC=CS3
Compound: 2-[[2-(4-methoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]amino]-4-methylpentanoic acid
SMILES: CC1=CC2=C(C=C1)OC(=CC2=NC(CC(C)C)C(=O)O)C3=CC=C(C=C3)OC
Compound: N-(1,8-dimethyl-3-pyrazolo[3,4-b]quinolinyl)propanamide
SMILES: CCC(=O)NC1=NN(C2=C1C=C3C=CC=C(C3=N2)C)C
Compound: 4-(3-methylanilino)-4-oxobutanoic acid (4-bromophenyl)methyl ester
SMILES: CC1=CC(=CC=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)Br
Compound: N-[2-(cyclohexylthio)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILES: CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCSC3CCCCC3)C
Compound: N-(4-bromophenyl)-4-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-4-oxobutanamide
SMILES: C1=CC(=CC=C1NC(=O)CCC(=O)NNC=C2C=C(C=CC2=O)[N+](=O)[O-])Br
Compound: 1-[2-(4-bromophenyl)-2-oxoethyl]-3-(2-furanylmethyl)-6,7-dimethoxyquinazoline-2,4-dione
SMILES: COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC(=O)C3=CC=C(C=C3)Br)CC4=CC=CO4)OC
Compound: 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-furancarbohydrazide
SMILES: C1CC2=C(C1)C=C(C=C2)OCC3=CC=C(O3)C(=O)NN
Compound: benzoic acid [5-(6-benzamido-9-purinyl)-3-fluoro-4-hydroxy-2-oxolanyl]methyl ester
SMILES: C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC(=O)C5=CC=CC=C5)F)O
Compound: N-(1,3-dioxo-4-isoindolyl)acetamide
SMILES: CC(=O)NC1=CC=CC2=C1C(=O)NC2=O
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2-methoxyphenyl)methylideneamino]-5-phenyl-4-triazolecarboxamide
SMILES: COC1=CC=CC=C1C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CC=C4
Compound: 3-chloro-6-methyl-N-(3-pyridinyl)-1-benzothiophene-2-carboxamide
SMILES: CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=CN=CC=C3)Cl
Compound: LSM-24595
SMILES: CN1CC(C2(C13C4=CC=CC=C4NC3=O)C(=O)N(C(=S)S2)CC5=CC=CO5)C6=CC=CC=C6
Compound: 3-(2-chlorophenyl)-N-[[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide
SMILES: CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)C=CC2=CC=CC=C2Cl
Compound: LSM-24597
SMILES: C1=CC=C(C=C1)C2C3C(=NC4=C2C(=O)N=C(N4)N)C5=CC=CC=C5C3=O
Compound: 5-bromo-N-[6-[[(5-bromo-2-furanyl)-oxomethyl]amino]-2-pyridinyl]-2-furancarboxamide
SMILES: C1=CC(=NC(=C1)NC(=O)C2=CC=C(O2)Br)NC(=O)C3=CC=C(O3)Br
Compound: 3-butyl-5-(1-methyl-2-pyridinylidene)-2-sulfanylidene-4-thiazolidinone
SMILES: CCCCN1C(=O)C(=C2C=CC=CN2C)SC1=S
Compound: [5-(4-fluorophenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-[2-(3-pyridinyl)-1-piperidinyl]methanone
SMILES: C1CCN(C(C1)C2=CN=CC=C2)C(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=C(C=C5)F)C(F)(F)F
Compound: N-[(3-bromoanilino)-sulfanylidenemethyl]-3-phenylpropanamide
SMILES: C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=CC(=CC=C2)Br
Compound: 2-cyano-3-(4-ethylphenyl)-2-propenethioamide
SMILES: CCC1=CC=C(C=C1)C=C(C#N)C(=S)N
Compound: 3-[(4-methyl-1-piperazinyl)sulfonyl]-N-(4-phenyl-2-thiazolyl)benzamide
SMILES: CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4
Compound: 3-(1-azepanyl)-2-[(3-fluorophenyl)hydrazinylidene]-3-iminopropanenitrile
SMILES: C1CCCN(CC1)C(=N)C(=NNC2=CC(=CC=C2)F)C#N
Compound: N-(5-acetyl-4-methyl-2-thiazolyl)-5-bromo-2-furancarboxamide
SMILES: CC1=C(SC(=N1)NC(=O)C2=CC=C(O2)Br)C(=O)C
Compound: 3-(2-hydroxyphenyl)-2-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-1H-quinazolin-4-one
SMILES: C1=CC=C2C(=C1)C(=O)N(C(=CC=C3C=CC(=O)C=C3)N2)C4=CC=CC=C4O
Compound: 3-butyl-5-(4-morpholinylmethyl)-2-oxo-3-oxolanecarboxylic acid ethyl ester
SMILES: CCCCC1(CC(OC1=O)CN2CCOCC2)C(=O)OCC
Compound: 1-(4-methoxyphenyl)-3-[(2-oxo-3-indolyl)amino]thiourea
SMILES: COC1=CC=C(C=C1)NC(=S)NNC2=C3C=CC=CC3=NC2=O
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-morpholinyl)phenyl]-3-imidazo[1,2-a]pyrazinamine
SMILES: C1COCCN1C2=CC=C(C=C2)C3=C(N4C=CN=CC4=N3)NC5=CC6=C(C=C5)OCCO6
Compound: N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-thiophenecarboxamide
SMILES: CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CS3)S2)CC=C
Compound: 13-hydroxydocosanoate
SMILES: CCCCCCCCCC(O)CCCCCCCCCCCC([O-])=O
Compound: 4-(2-furanylmethyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
SMILES: C1=COC(=C1)CN2C(=NNC2=S)C3=CC=NC=C3
Compound: 2-chloro-5-[[[[(3-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid
SMILES: COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O
Compound: 1-[[3-ethoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
SMILES: CCOC1=C(C=CC(=C1)C=NNC(=S)NC2=CC=CC=C2C(F)(F)F)OCC(=O)N3CCOCC3
Compound: 3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILES: C1CCC2=C(C1)C(=O)N3C(=N2)C(=CN3)C4=CC=CC=C4
Compound: N-[2,2,2-trichloro-1-[[sulfanylidene-(2,4,6-trimethylanilino)methyl]amino]ethyl]benzamide
SMILES: CC1=CC(=C(C(=C1)C)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2)C
Compound: 2-[4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N=C(S1)N2C(=O)C(=CC3=CC=C(C=C3)OCC(=O)OC)C(=N2)C)C
Compound: N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]-1-piperidinecarboxamide
SMILES: CC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)N3CCCCC3
Compound: 2-(4-methoxyphenyl)-N-[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)phenyl]-4-quinolinecarboxamide
SMILES: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N6CCOCC6
Compound: 3-[5-amino-3-(4-chlorophenyl)-1-pyrazolyl]propanoic acid ethyl ester
SMILES: CCOC(=O)CCN1C(=CC(=N1)C2=CC=C(C=C2)Cl)N
Compound: 4-(3-methoxyanilino)-2-methyl-5-oxo-1-phenyl-2-pyrrolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1(C=C(C(=O)N1C2=CC=CC=C2)NC3=CC(=CC=C3)OC)C
Compound: 6-methyl-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile
SMILES: CC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCN(CC3)C(=O)C4=CC=CS4
Compound: 3-[(2-chlorophenyl)methyl]-5-[1-(1-oxo-2-thiophen-2-ylethyl)-3-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one
SMILES: C1CC(CN(C1)C(=O)CC2=CC=CS2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5Cl
Compound: 2-[(2,4-dichlorophenyl)methylthio]-6,7-dimethoxy-3-(thiophen-2-ylmethyl)-4-quinazolinimine
SMILES: COC1=C(C=C2C(=C1)C(=N)N(C(=N2)SCC3=C(C=C(C=C3)Cl)Cl)CC4=CC=CS4)OC
Compound: 5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-[(3-chlorophenyl)methylideneamino]-2-furancarboxamide
SMILES: C1=CC(=CC(=C1)Cl)C=NNC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br
Compound: 1-[2-[(4-pentoxyphenyl)methylthio]ethyl]-3-phenylthiourea
SMILES: CCCCCOC1=CC=C(C=C1)CSCCNC(=S)NC2=CC=CC=C2
Compound: 1-methyl-6-[(4-methyl-1-piperidinyl)sulfonyl]-3-[oxo(1-piperidinyl)methyl]-4-quinolinone
SMILES: CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C(C3=O)C(=O)N4CCCCC4)C
Compound: 1-[8-chloro-4-(1-naphthalenyl)-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-5-yl]ethanone
SMILES: CC(=O)N1C(C2CC=CC2C3=C1C=CC(=C3)Cl)C4=CC=CC5=CC=CC=C54
Compound: 3-(3-nitrophenyl)-4-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2H-isoxazol-5-one
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=O)ON2)C=C3C=CC(=O)C=C3
Compound: 4-amino-N-(2-furanyl)benzamide
SMILES: C1=COC(=C1)NC(=O)C2=CC=C(C=C2)N
Compound: 2,4-dichloro-N-[2,4,6-trioxo-1-(phenylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
SMILES: C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=C(C=C(C=C4)Cl)Cl
Compound: [3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
SMILES: CC1=CC=C(C=C1)C2=NN(C=C2C(=O)N3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5
Compound: 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(4-methyl-1-piperidinyl)-4-thiazolone
SMILES: CC1CCN(CC1)C2=NC(=O)C(=CC3=CC(=C(C=C3)O)OC)S2
Compound: 2-[[5-[4-(1-piperidinylsulfonyl)phenyl]-1H-1,2,4-triazol-3-yl]thio]-N-(2-thiazolyl)acetamide
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NN3)SCC(=O)NC4=NC=CS4
Compound: 1-(7-methyloctyl)-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea
SMILES: CC(C)CCCCCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2
Compound: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid [2-(2-acetylanilino)-2-oxoethyl] ester
SMILES: CC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
Compound: 1-(9-anthracenylmethyl)-3-piperidinol
SMILES: C1CC(CN(C1)CC2=C3C=CC=CC3=CC4=CC=CC=C42)O
Compound: 6-[2-butylimino-3-(cyclopentylideneamino)-4-thiazolyl]-4H-1,4-benzoxazin-3-one
SMILES: CCCCN=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=C4CCCC4
Compound: N-butyl-2-[[6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]acetamide
SMILES: CCCCNC(=O)CSC1=NC2=C(C=C(C=C2)N3CCOCC3)C(=O)N1CCC4=CC=CC=C4
Compound: N-[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]benzamide
SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CS2
Compound: LSM-24640
SMILES: COC1=CC2=C(C=C1)NC3=C2NC=[N+](C3=O)CCCN4CCOCC4
Compound: N-[[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]methylideneamino]-2-thiophenecarboxamide
SMILES: CC1=NN(C(=C1C=NNC(=O)C2=CC=CS2)Cl)C3=CC=C(C=C3)F
Compound: 4-[[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoic acid
SMILES: C1=CC(=CC=C1C=NNC2=NC=C(C=C2)C(F)(F)F)C(=O)O
Compound: N-ethyl-3-(2-furanyl)-2-[(1-oxo-3-phenylprop-2-enyl)amino]-2-propenamide
SMILES: CCNC(=O)C(=CC1=CC=CO1)NC(=O)C=CC2=CC=CC=C2
Compound: 5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one
SMILES: C1CCC(CC1)C2=CC=C(C=C2)C3=CC(=O)NN3
Compound: 2-[[oxo-(5-propyl-3-isoxazolyl)methyl]amino]benzoic acid methyl ester
SMILES: CCCC1=CC(=NO1)C(=O)NC2=CC=CC=C2C(=O)OC
Compound: 2-[[2-[(3,7-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid
SMILES: CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC
Compound: 2-chloro-N-[3-(2-thiazolo[5,4-b]pyridinyl)phenyl]-3-pyridinecarboxamide
SMILES: C1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)Cl)C3=NC4=C(S3)N=CC=C4
Compound: 6-amino-1,3-dimethyl-5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]pyrimidine-2,4-dione
SMILES: CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N
Compound: 2-[[4-(trifluoromethyl)anilino]methylidene]-7,7a-dihydro-6H-pyrrolo[2,1-b]thiazole-3,5-dione
SMILES: C1CC(=O)N2C1SC(=CNC3=CC=C(C=C3)C(F)(F)F)C2=O
Compound: 2-(3-hydroxyphenyl)-6-(1-piperidinyl)benzo[de]isoquinoline-1,3-dione
SMILES: C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=CC(=CC=C5)O
Compound: 1-(2-methyl-1H-indol-3-yl)-2-(2-thiazolylamino)ethanone
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)CNC3=NC=CS3
Compound: 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILES: CCC1=NN=C(S1)NC(=O)CSC2=NC=C(C=C2)C3=NC4=CC=CC=C4N3
Compound: benzoic acid [4-bromo-2-[[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester
SMILES: CC1=CC(=NN1)C(=O)NN=CC2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3
Compound: 4-(3,5-dimethyl-1-pyrazolyl)-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine
SMILES: CC1=CC(=NN1C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C)C
Compound: 3-[1-acetyl-5-(2-furanyl)-3-pyrazolidinylidene]-6-bromo-4-phenyl-2-quinolinone
SMILES: CC(=O)N1C(CC(=C2C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)N1)C5=CC=CO5
Compound: N-(3,4-dimethoxyphenyl)-6-phenyl-4-thieno[2,3-d]pyrimidinamine
SMILES: COC1=C(C=C(C=C1)NC2=C3C=C(SC3=NC=N2)C4=CC=CC=C4)OC
Compound: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-(phenylmethyl)-2H-1,2,4-triazin-5-one
SMILES: C1COC2=C(O1)C=CC(=C2)NC3=NC(=O)C(=NN3)CC4=CC=CC=C4
Compound: 4-(4-ethyl-1-piperazinyl)-4-oxo-2-butenoic acid
SMILES: CCN1CCN(CC1)C(=O)C=CC(=O)O
Compound: N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide
SMILES: C1CC1C(=O)NC2=NC=C(C=C2)[N+](=O)[O-]
Compound: 2-chloro-N-[(methylcarbamoylamino)-sulfanylidenemethyl]benzamide
SMILES: CNC(=O)NC(=S)NC(=O)C1=CC=CC=C1Cl
Compound: 4-[oxo-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)OC(=N3)CCCC4=CC=CC=C4
Compound: LSM-24662
SMILES: CC1=C(C(=NC2=C1SC3=C2C(CC(=O)N3)C4=CC=C(C=C4)F)N)C#N
Compound: N-[[3-(4-nitrophenyl)sulfonyl-2-oxazolidinyl]methyl]-N'-(2-pyridinylmethyl)oxamide
SMILES: C1COC(N1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)C(=O)NCC3=CC=CC=N3
Compound: 4-methyl-2-nitro-6-[(1,2,4-triazol-4-ylamino)methylidene]-1-cyclohexa-2,4-dienone
SMILES: CC1=CC(=CNN2C=NN=C2)C(=O)C(=C1)[N+](=O)[O-]
Compound: N,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-furancarboxamide
SMILES: CC1=C(C=CO1)C(=O)N(C)CC2=NC(=NO2)C3=CC=CC=C3
Compound: 2-[[[(4-methoxyphenyl)-oxomethyl]amino]methyl]-5-phenyl-3-furancarboxylic acid
SMILES: COC1=CC=C(C=C1)C(=O)NCC2=C(C=C(O2)C3=CC=CC=C3)C(=O)O
Compound: 2-(1-naphthalenylamino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide
SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NNC(=O)CNC3=CC=CC4=CC=CC=C43
Compound: N-(3-phenyl-1,3-benzothiazol-2-ylidene)-2-propenamide
SMILES: C=CC(=O)N=C1N(C2=CC=CC=C2S1)C3=CC=CC=C3
Compound: 2,4-dichloro-5-(2-furanylmethylsulfamoyl)benzoic acid
SMILES: C1=COC(=C1)CNS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl
Compound: LSM-24670
SMILES: CC(C)C1=CC=C(C=C1)C2C3C(=NC4=C2C(=O)CC(C4)(C)C)C5=CC=CC=C5C3=O
Compound: 3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluoro-4-methylphenyl)propanamide
SMILES: CC1=C(C=C(C=C1)NC(=O)CCC2=C(N(N=C2C)C3=NN=C(C=C3)N4CCCCC4)C)F
Compound: 5-(3,4-dimethoxyphenyl)-N-(2-furanylmethyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
SMILES: COC1=C(C=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NCC4=CC=CO4)OC
Compound: 6-nitro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonitrile
SMILES: C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)[N+](=O)[O-])C#N
Compound: 2-phenyl-3-imidazo[1,2-a]pyridinecarboxaldehyde
SMILES: C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)C=O
Compound: 4-(5-amino-4-phenyl-1-pyrazolyl)benzoic acid
SMILES: C1=CC=C(C=C1)C2=C(N(N=C2)C3=CC=C(C=C3)C(=O)O)N
Compound: [4-(5-chloro-2-methylphenyl)-1-piperazinyl]-(2-ethoxy-3-pyridinyl)methanone
SMILES: CCOC1=C(C=CC=N1)C(=O)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C
Compound: N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N,2-dimethylbenzenesulfonamide
SMILES: C[C@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)S(=O)(=O)C3=CC=CC=C3C)N=N2)[C@@H](C)CO
Compound: N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcarbamic acid methyl ester
SMILES: C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)C(=O)OC)[C@H](C)CO
Compound: 1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-[2-(4-morpholinyl)-4-pyridinyl]urea
SMILES: C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)C(=O)NC3=CC(=NC=C3)N4CCOCC4)N=N2)[C@@H](C)CO
Compound: (8R,9R)-9-[[(3-hydroxyphenyl)methyl-methylamino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
SMILES: C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)CC3=CC(=CC=C3)O)[C@@H](C)CO
Compound: (8S,9S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
SMILES: C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)CC3CCCCC3)N=N2)[C@@H](C)CO
Compound: 3-(2-fluorophenyl)-1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea
SMILES: C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)C(=O)NC3=CC=CC=C3F)N=N2)[C@H](C)CO
Compound: (8S,9R)-9-[[(4-hydroxyphenyl)methyl-methylamino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
SMILES: C[C@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)CC3=CC=C(C=C3)O)N=N2)[C@@H](C)CO
Compound: (8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
SMILES: C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)CC3=CC=CC=C3C)[C@@H](C)CO
Compound: 3-(4-tert-butylphenyl)-1-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea
SMILES: C[C@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)C(=O)NC3=CC=C(C=C3)C(C)(C)C)N=N2)[C@@H](C)CO
Compound: N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcarbamic acid 2-methylpropyl ester
SMILES: C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)C(=O)OCC(C)C)[C@@H](C)CO
Compound: (8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
SMILES: C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)CC3=CC=CC(=C3)C)N=N2)[C@H](C)CO
Compound: (8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-9-[[(2-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
SMILES: C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)CC3=CC=CC=C3OC)N=N2)[C@@H](C)CO
Compound: (8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(3-pyridinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
SMILES: C[C@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)CC3=CN=CC=C3)N=N2)[C@H](C)CO
Compound: N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcarbamic acid (4-methoxyphenyl) ester
SMILES: C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)C(=O)OC3=CC=C(C=C3)OC)[C@H](C)CO
Compound: (8S,9R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
SMILES: C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)CC3CCCCC3)[C@@H](C)CO
Compound: (8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
SMILES: C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)CC3=CC=CC=C3C(F)(F)F)[C@@H](C)CO
Compound: N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N,3-dimethylbenzenesulfonamide
SMILES: C[C@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)S(=O)(=O)C3=CC=CC(=C3)C)N=N2)[C@H](C)CO
Compound: 4-(dimethylamino)-N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylbutanamide
SMILES: C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)C(=O)CCCN(C)C)[C@@H](C)CO
Compound: (8S,9S)-9-[[cyclopentylmethyl(methyl)amino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
SMILES: C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)CC3CCCC3)N=N2)[C@H](C)CO
Compound: N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcarbamic acid methyl ester
SMILES: C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)C(=O)OC)N=N2)[C@H](C)CO
Compound: (8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
SMILES: C[C@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)CC3=CC=C(C=C3)OC)N=N2)[C@@H](C)CO
Compound: N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N,3-dimethylbenzenesulfonamide
SMILES: C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)S(=O)(=O)C3=CC=CC(=C3)C)N=N2)[C@H](C)CO
Compound: (8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-9-[[(3-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
SMILES: C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)CC3=CC(=CC=C3)OC)[C@@H](C)CO
Compound: (8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
SMILES: C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)CC3=CC4=C(C=C3)N(CCO4)C)N=N2)[C@H](C)CO
Compound: N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcarbamic acid (4-methoxyphenyl) ester
SMILES: C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)C(=O)OC3=CC=C(C=C3)OC)[C@@H](C)CO
Compound: N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylbenzenesulfonamide
SMILES: C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)S(=O)(=O)C3=CC=CC=C3)[C@H](C)CO
Compound: N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N,3-dimethylbenzenesulfonamide
SMILES: C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)S(=O)(=O)C3=CC=CC(=C3)C)N=N2)[C@H](C)CO
Compound: (8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-9-[[(3-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
SMILES: C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)CC3=CC(=CC=C3)OC)N=N2)[C@@H](C)CO
Compound: (8S,9R)-9-[[(4-hydroxyphenyl)methyl-methylamino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
SMILES: C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)CC3=CC=C(C=C3)O)[C@@H](C)CO
Compound: (8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-9-[[(2-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
SMILES: C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)CC3=CC=CC=C3OC)[C@H](C)CO
Compound: (8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
SMILES: C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)CC3=CC=CC=C3C(F)(F)F)N=N2)[C@@H](C)CO
Compound: (8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
SMILES: C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)CC3=CC4=C(C=C3)N(CCO4)C)[C@@H](C)CO
Compound: (8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
SMILES: C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)CC3=CC4=C(C=CC=N4)C=C3)[C@@H](C)CO
Compound: 1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
SMILES: C[C@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)C(=O)NC3=CC=CC=C3OC)N=N2)[C@H](C)CO
Compound: (8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
SMILES: C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)CC3=CC=C(C=C3)C)N=N2)[C@H](C)CO
Compound: N-(2-aminophenyl)-4-[[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl-methylamino]methyl]benzamide
SMILES: C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)[C@@H](C)CO
Compound: (8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
SMILES: C[C@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)CC3=CC4=C(C=C3)N(CCO4)C)N=N2)[C@H](C)CO
Compound: N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-phenoxybenzenesulfonamide
SMILES: C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)[C@@H](C)CO
Compound: N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N,2-dimethylbenzenesulfonamide
SMILES: C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)S(=O)(=O)C3=CC=CC=C3C)N=N2)[C@@H](C)CO
Compound: N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylbenzamide
SMILES: C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)C(=O)C3=CC=CC=C3)[C@@H](C)CO
Compound: (8R,9S)-9-[[3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl(methyl)amino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
SMILES: C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)CC3=C4C(=CC=C3)OCCCO4)[C@@H](C)CO
Compound: (8R,9S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
SMILES: C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)CC3=CC4=C(C=C3)OCO4)[C@@H](C)CO
Compound: (8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
SMILES: C[C@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)CC3=CC4=C(C=C3)N(CCO4)C)N=N2)[C@@H](C)CO