MonarchInit/C3PO huggingface dataset:
Compound: 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]benzamide
SMILES: CC1=C(N=C(S1)NC(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)F)OC)C4=CC=C(C=C4)OC
Compound: 2-(1,3-benzothiazol-2-ylthio)-N-[2-hydroxy-5-(4-morpholinylsulfonyl)phenyl]acetamide
SMILES: C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)CSC3=NC4=CC=CC=C4S3
Compound: N-hexacosanoyl-14-methylhexadecasphinganine-1-phosphocholine
SMILES: C(CCCCCC(CC)C)CCCC[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-]
Compound: N-(3,5-dichloro-2-pyridinyl)-2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]propanamide
SMILES: CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)SC2=NC3=CC=CC=C3N2CCOC
Compound: 3-[(4-chlorophenyl)sulfonylamino]propanoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
SMILES: C1=COC(=C1)CNC(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl
Compound: [4-(3-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
SMILES: C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)C4=CC(=CC=C4)Cl)[N+](=O)[O-]
Compound: 6-amino-5,7,7-tricyano-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid (phenylmethyl) ester
SMILES: C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC=NC=C4
Compound: 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-2-propenamide
SMILES: CC(=CC1=CC=CC=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]
Compound: 4-amino-2,6-dimethyl-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-3-pyridazinone
SMILES: CC1=CC=C(C=C1)C2=NNC(=C2)C3=C(C(=O)N(N=C3C)C)N
Compound: 6-methyl-3-[[[1-(phenylmethyl)-5-tetrazolyl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
SMILES: CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CS3)CC4=NN=NN4CC5=CC=CC=C5
Compound: N-(3-acetylphenyl)-2-[[6-chloro-3-(2-hydroxypropyl)-4-methyl-2-oxo-1-benzopyran-7-yl]oxy]acetamide
SMILES: CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)NC3=CC=CC(=C3)C(=O)C)CC(C)O
Compound: 6-[4-(2-methoxyanilino)-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
SMILES: COC1=CC=CC=C1NC2=NC(=C3C=CC=CC3=O)NC4=CC=CC=C42
Compound: 5-amino-4-(1H-benzimidazol-2-yl)-2,2-dimethyl-1-phenyl-3-pyrrolone
SMILES: CC1(C(=O)C(=C(N1C2=CC=CC=C2)N)C3=NC4=CC=CC=C4N3)C
Compound: 2-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)-(3-thiophenyl)methyl]propanedinitrile
SMILES: C1=CC=C(C=C1)C2=C(C(=O)NN2)C(C3=CSC=C3)C(C#N)C#N
Compound: LSM-28507
SMILES: C1=CC=C2C(=C1)NC(=N2)C(C#N)C(=O)C3=CC=C(S3)[N+](=O)[O-]
Compound: N,N-dimethyl-3-[4-[[2-(4-methyl-1-piperidinyl)-4-oxo-5-thiazolylidene]methyl]-1-phenyl-3-pyrazolyl]benzenesulfonamide
SMILES: CC1CCN(CC1)C2=NC(=O)C(=CC3=CN(N=C3C4=CC(=CC=C4)S(=O)(=O)N(C)C)C5=CC=CC=C5)S2
Compound: 1-(4-ethylphenyl)-N-(3-pyridinylmethyl)methanamine
SMILES: CCC1=CC=C(C=C1)CNCC2=CN=CC=C2
Compound: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-phenylethanone
SMILES: CC1=NC(=NN1)SCC(=O)C2=CC=CC=C2
Compound: N-(4-chlorophenyl)-5-methyl-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinamine
SMILES: CC1=NC2=C(C(=N1)NC3=CC=C(C=C3)Cl)N=NN2CC4=CC=CC=C4
Compound: 2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid tert-butyl ester
SMILES: CC(C)(C)OC(=O)CNC(=O)C1=C(N=CN1)C(=O)NC2=CC=C(C=C2)Cl
Compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-thiophen-2-yl-3-isoxazolecarboxamide
SMILES: COC1=C(C=C(C=C1)CCNC(=O)C2=NOC(=C2)C3=CC=CS3)OC
Compound: 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline
SMILES: CC1=NOC(=C1[N+](=O)[O-])C=CNC2=CC(=CC=C2)OC
Compound: 3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-2-(methylthio)-4-imidazolone
SMILES: COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SC)C3=CC=CC=C3OC
Compound: 5-nitro-8-(1-pyrrolidinyl)quinoline
SMILES: C1CCN(C1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3
Compound: N-[3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propyl]-N-(2-methoxy-4-methylphenyl)-2-thiophenecarboxamide
SMILES: CC1=CC(=C(C=C1)N(CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC=CS5)OC
Compound: 2-[[3-(3,4-dimethoxyphenyl)-2-oxo-1-benzopyran-7-yl]oxy]acetamide
SMILES: COC1=C(C=C(C=C1)C2=CC3=C(C=C(C=C3)OCC(=O)N)OC2=O)OC
Compound: 3-pyridinecarboxylic acid (5-chloro-8-quinolinyl) ester
SMILES: C1=CC(=CN=C1)C(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3
Compound: LSM-28520
SMILES: CC1(CC(=O)C(C(=O)C1)C=NC2=CC=CC=C2C(=O)O)C
Compound: 2-(4-bromophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone
SMILES: C1CN(CCN1C2=CC=CC=N2)C(=O)CC3=CC=C(C=C3)Br
Compound: 4-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
SMILES: COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2CC=C
Compound: 4-chloro-N-[1-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILES: CCSC1=NN=C(S1)NC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)Cl
Compound: N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
SMILES: CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)C(C)(C)C
Compound: 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
SMILES: CC1=C(C=NN1C2=CC=CC=C2)C(=O)C3C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC=CS5
Compound: LSM-28526
SMILES: C1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C4=C(S3)C(=CC(=O)N4)O
Compound: 4-methyl-3-[[1-oxo-3-(phenylthio)propyl]amino]benzoic acid methyl ester
SMILES: CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCSC2=CC=CC=C2
Compound: 1-(phenylmethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
SMILES: C1CC(C2=CC=CC=C2C1)NC(=S)NCC3=CC=CC=C3
Compound: 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-2-propenamide
SMILES: C1=CSC(=C1)CNC(=O)C=CC2=CC=C(C=C2)F
Compound: 5-(4-methoxyphenyl)-7-(4-methylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILES: CC1=CC=C(C=C1)C2C=C(N=C3N2NN=N3)C4=CC=C(C=C4)OC
Compound: 4-methyl-N-[1-[2-(1-pyrrolidinyl)ethyl]-2-benzimidazolyl]benzamide
SMILES: CC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N2CCN4CCCC4
Compound: 1-(4-morpholinyl)-2-(4-phenylphenoxy)-1-propanone
SMILES: CC(C(=O)N1CCOCC1)OC2=CC=C(C=C2)C3=CC=CC=C3
Compound: 4-[[[2-(1-azepanyl)ethyl-(2-furanylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCN2CCCCCC2)CC3=CC=CO3
Compound: 2-(2-furanylmethylamino)benzoic acid [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] ester
SMILES: C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=CC=C3NCC4=CC=CO4
Compound: 2-[[2-[2-(1-piperidinyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILES: C1CCN(CC1)CCC2=NN3C(=N2)C4=CC=CC=C4N=C3SCC(=O)NCCC5=CC=C(C=C5)S(=O)(=O)N
Compound: N-[4-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide
SMILES: C1=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3
Compound: 2-[[2-[(4,5-dimethoxy-2-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC
Compound: 5-(3-methoxyphenyl)-N-(2-oxolanylmethyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
SMILES: COC1=CC=CC(=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)NCC4CCCO4
Compound: N-(4-methoxyphenyl)-5-[(4-methylphenyl)methyl]-2-furancarboxamide
SMILES: CC1=CC=C(C=C1)CC2=CC=C(O2)C(=O)NC3=CC=C(C=C3)OC
Compound: 2-fluoro-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILES: C1=CC=C(C(=C1)C(=O)NC2=NN=C(O2)C3=CC=NC=C3)F
Compound: 2-hydroxy-3-methoxybenzoic acid [2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] ester
SMILES: CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=C(C(=CC=C3)OC)O
Compound: 2,5-dimethoxy-N-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]benzenesulfonamide
SMILES: COC1=CC=C(C=C1)C2=NC(=CS2)CNS(=O)(=O)C3=C(C=CC(=C3)OC)OC
Compound: 2,2-diphenylacetic acid (2,6-dimethylphenyl) ester
SMILES: CC1=C(C(=CC=C1)C)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
Compound: 4-hexyl-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
SMILES: CCCCCCN1C(=NNC1=S)C2=CC=CS2
Compound: 2-[[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SMILES: CC1=NNC(=NC1=O)SCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2
Compound: 1,7,7-trimethyl-9-oxo-N-(2-oxolanylmethyl)-8H-furo[3,2-f][1]benzopyran-2-carboxamide
SMILES: CC1=C(OC2=C1C3=C(C=C2)OC(CC3=O)(C)C)C(=O)NCC4CCCO4
Compound: 2-hydroxypropylphosphonic acid
SMILES: CC(O)CP(O)(O)=O
Compound: N-[4-(4-morpholinyl)phenyl]-2-thiophenesulfonamide
SMILES: C1COCCN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3
Compound: 2-[bis(2-methylpropoxy)phosphoryl]-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoic acid ethyl ester
SMILES: CCOC(=O)C(C(F)(F)F)(NS(=O)(=O)C1=CC=C(C=C1)C)P(=O)(OCC(C)C)OCC(C)C
Compound: N-(2-oxolanylmethyl)-2-(1-piperidinyl)-1,3-benzothiazole-6-carboxamide
SMILES: C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCC4CCCO4
Compound: 3-[(2-propoxyphenyl)methyl]-1,3-benzoxazol-2-one
SMILES: CCCOC1=CC=CC=C1CN2C3=CC=CC=C3OC2=O
Compound: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidinyl]ethanone
SMILES: CC1CC2=CC=CC=C2N1C(=O)CN3CCC(CC3)N4C5=C(C=C(C=C5)C(F)(F)F)N=N4
Compound: 1-ethyl-N-[(4-methoxyphenyl)methyl]-5-benzimidazolamine
SMILES: CCN1C=NC2=C1C=CC(=C2)NCC3=CC=C(C=C3)OC
Compound: 5-methyl-1-[3-(2-methylphenoxy)propyl]indole-2,3-dione
SMILES: CC1=CC2=C(C=C1)N(C(=O)C2=O)CCCOC3=CC=CC=C3C
Compound: 1-(2-chlorophenyl)-3-(3-phenylpropyl)thiourea
SMILES: C1=CC=C(C=C1)CCCNC(=S)NC2=CC=CC=C2Cl
Compound: 4-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]-3-oxobutanoic acid ethyl ester
SMILES: CCOC(=O)CC(=O)CSC1=NC2=C(CCC2)C=C1C#N
Compound: 4-[(4-chlorophenyl)hydrazinylidene]pyrazole-3,5-diamine
SMILES: C1=CC(=CC=C1NN=C2C(=NN=C2N)N)Cl
Compound: 2-[[5-(5-chloro-2-thiophenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILES: C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(O3)C4=CC=C(S4)Cl
Compound: 4-[1-(4-fluorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILES: CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=C(C=C3)F
Compound: LSM-28559
SMILES: CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(S2)N=C4C=CC=CN4C3=O
Compound: 2-(4-methyl-1-piperidinyl)-N-[2-(phenylthio)phenyl]acetamide
SMILES: CC1CCN(CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3
Compound: N-[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-2-furancarboxamide
SMILES: CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CO3
Compound: N-[5-(diethylsulfamoyl)-2-(4-morpholinyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC(=O)NC4=CC=CC=C43
Compound: [3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethyl-4-morpholinyl)methanone
SMILES: CC1CN(CC(O1)C)C(=O)C2=CC(=CC=C2)COC3=CC=CC=C3Cl
Compound: N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILES: CC(=O)NC1=NNC(=N1)C2=CC=CC=C2OC
Compound: 2-[[oxo-(2-oxo-1H-quinolin-4-yl)methyl]amino]-3-phenylpropanoic acid methyl ester
SMILES: COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=O)NC3=CC=CC=C32
Compound: N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)-3-(3,4,5-trimethoxyphenyl)-2-propenamide
SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)NC2=CC3=C(C=C2)N=C4CCCCN4C3=O
Compound: 3-(4-chloro-1,5-dimethyl-3-pyrazolyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
SMILES: CC1=C(C(=NN1C)C2=NNC(=S)N2C3=CC=C(C=C3)F)Cl
Compound: 2-[3-[[6-[anilino(oxo)methyl]-5-(4-ethoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid
SMILES: CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC(=CC=C4)OCC(=O)O)S3)C)C(=O)NC5=CC=CC=C5
Compound: 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILES: C1=CC2=NN=C(N2C=C1)CC3=NN=C4N3C=CC=C4
Compound: LSM-28572
SMILES: CC1=C2COC(CC2=C3C4=C(C(=O)N(C(=N4)NCCO)C5=CC(=CC=C5)Cl)SC3=N1)(C)C
Compound: 5-(4-acetyloxy-3-methoxyphenyl)-2,7-dimethyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)C(S2)C)C
Compound: N-[3-(1-azepanyl)propyl]-2-(4-morpholinyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILES: C1CCCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)N4CCOCC4
Compound: 1-(4-chlorophenyl)-5-[[4-(4-morpholinyl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILES: C1COCCN1C2=CC=C(C=C2)NC=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Cl
Compound: 2-(4-chloro-2-methylphenoxy)-N-[2-(4-morpholinyl)phenyl]propanamide
SMILES: CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC=CC=C2N3CCOCC3
Compound: 3-phenylpropanoic acid [3-(4-cyanophenyl)-2-cyclohexyl-7-methyl-6,8-dioxo-7-isoquinolinyl] ester
SMILES: CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3CCCCC3)C4=CC=C(C=C4)C#N)OC(=O)CCC5=CC=CC=C5
Compound: 3-(2,5-dimethoxyphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-propenamide
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C=CC2=C(C=CC(=C2)OC)OC
Compound: [5-[(3,4-difluorophenoxy)methyl]-3-isoxazolyl]-(3-propoxy-1-piperidinyl)methanone
SMILES: CCCOC1CCCN(C1)C(=O)C2=NOC(=C2)COC3=CC(=C(C=C3)F)F
Compound: 1-[[3-(9-carbazolyl)-1-oxopropyl]amino]-3-(2-methylprop-2-enyl)thiourea
SMILES: CC(=C)CNC(=S)NNC(=O)CCN1C2=CC=CC=C2C3=CC=CC=C31
Compound: 4-[[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
SMILES: CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C=NN3C(=NNC3=S)C)Cl
Compound: 2,5-bis(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1,3,4-oxadiazole
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NN=C(O3)C4=C(N(N=C4C)C5=CC=CC=C5)C
Compound: 1-methyl-4-prop-2-enoxy-2-pyrimidinone
SMILES: CN1C=CC(=NC1=O)OCC=C
Compound: 1-(2-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine
SMILES: C1CN(CCN1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4F
Compound: N-[[3-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide
SMILES: COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCOCC3)[N+](=O)[O-]
Compound: N5,N5-dimethyl-2,1,3-benzoxadiazole-4,5-diamine
SMILES: CN(C)C1=C(C2=NON=C2C=C1)N
Compound: 1-[2-(4-methylphenyl)ethyl]-N-[3-(4-methyl-1-piperazinyl)propyl]-5-oxo-3-pyrrolidinecarboxamide
SMILES: CC1=CC=C(C=C1)CCN2CC(CC2=O)C(=O)NCCCN3CCN(CC3)C
Compound: 1-adamantyl-[4-(2-fluorophenyl)-1-piperazinyl]methanone
SMILES: C1CN(CCN1C2=CC=CC=C2F)C(=O)C34CC5CC(C3)CC(C5)C4
Compound: 2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(3-methylphenyl)acetamide
SMILES: CC1=CC(=CC=C1)NC(=O)CON=CC2=CC3=C(C=C2)OCO3
Compound: 4-[2-[(2,6-dimethoxyphenyl)-oxomethoxy]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=C(C=CC=C2OC)OC)C)C
Compound: 2-methyl-3-nitro-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide
SMILES: CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C
Compound: N-(2-chloro-3-pyridinyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]acetamide
SMILES: CC1=CC(=CC=C1)NC2=NN=C(S2)SCC(=O)NC3=C(N=CC=C3)Cl
Compound: 1-[4-(2-prop-2-enylphenoxy)butyl]pyrrolidine
SMILES: C=CCC1=CC=CC=C1OCCCCN2CCCC2
Compound: N-[4-(1-adamantylsulfamoyl)phenyl]-4-bromo-1-methyl-3-pyrazolecarboxamide
SMILES: CN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)Br
Compound: cyclopropanecarboxylic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester
SMILES: C1CC1C(=O)OCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3
Compound: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester
SMILES: CC(C)N(C(C)C)C(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
Compound: 4-methoxy-N'-[(2-sulfanylidene-3-quinolinylidene)methyl]benzohydrazide
SMILES: COC1=CC=C(C=C1)C(=O)NNC=C2C=C3C=CC=CC3=NC2=S
Compound: N-[(5-bromo-2-thiophenyl)methylideneamino]-2-pyridinecarboxamide
SMILES: C1=CC=NC(=C1)C(=O)NN=CC2=CC=C(S2)Br
Compound: N1-(6-bromo-4-quinazolinyl)-N4,N4-dimethylbenzene-1,4-diamine
SMILES: CN(C)C1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)Br
Compound: 6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester
SMILES: CC1=C(C(NC(=O)N1C)C2=CC=CC=C2Cl)C(=O)OCC(C)C
Compound: N-(3-acetylphenyl)-5,7-dimethyl-2-pyrazolo[1,5-a]pyrimidinecarboxamide
SMILES: CC1=CC(=NC2=CC(=NN12)C(=O)NC3=CC=CC(=C3)C(=O)C)C
Compound: 1-[1-chloro-2-[(2-nitrophenyl)thio]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone
SMILES: CC(=O)C1=CC2=C(C=C1)NC(C3C2C(C(C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C5=CC=CC=C5
Compound: 3,4-dimethoxy-N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]benzamide
SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=C(C=C2)OC)OC
Compound: 5-methoxy-3-methyl-2-benzofurancarboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester
SMILES: CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)C3=CC4=C(C=C3)OCCO4
Compound: N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-2-[(4-nitrophenyl)thio]acetamide
SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]
Compound: N,N-dimethylcarbamic acid [4-[6-(trifluoromethyl)-2-imidazo[1,2-a]pyridinyl]phenyl] ester
SMILES: CN(C)C(=O)OC1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)C(F)(F)F
Compound: 1-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxamide
SMILES: CC1=NN(C2=C1C=C(S2)C(=O)NC3=NN=C(S3)C4CC4)C5=CC=CC=C5Cl
Compound: N,N-dimethyl-N'-(7-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanimidamide
SMILES: CN(C)C=NC1=NN2C(=CC=NC2=N1)C3=CC=CS3
Compound: 3-(2-methylpropylthio)-1H-1,2,4-triazol-5-amine
SMILES: CC(C)CSC1=NNC(=N1)N
Compound: N-(2-fluorophenyl)-2-[2-(4-thiazolyl)-1-benzimidazolyl]acetamide
SMILES: C1=CC=C2C(=C1)N=C(N2CC(=O)NC3=CC=CC=C3F)C4=CSC=N4
Compound: N-(cyclopentylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILES: C1CCC(=NNC(=O)C2=NNC3=C2CCCC3)C1
Compound: 1-(4-fluorophenyl)-2-(2-pyridinylthio)ethanone
SMILES: C1=CC=NC(=C1)SCC(=O)C2=CC=C(C=C2)F
Compound: N-[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]-4-nitrobenzamide
SMILES: CCC1CCCCN1C(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Compound: [4-amino-3-(4-methylphenyl)-2-sulfanylidene-5-thiazolyl]-(4-morpholinyl)methanone
SMILES: CC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N3CCOCC3)N
Compound: 2-cyano-4-(1-methyl-4-pyridinylidene)-2-butenoic acid ethyl ester
SMILES: CCOC(=O)C(=CC=C1C=CN(C=C1)C)C#N
Compound: 3-methyl-N,6-diphenyl-2-imidazo[2,1-b]thiazolecarboxamide
SMILES: CC1=C(SC2=NC(=CN12)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
Compound: 4-(dimethylamino)benzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester
SMILES: CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2CCCCCC2
Compound: N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N'-(3-fluorophenyl)-N-(3-pyridinyl)butanediamide
SMILES: C1CCC(C1)NC(=O)C(C2=CC=NC=C2)N(C3=CC(=CC=C3)F)C(=O)CCC(=O)NC4=CN=CC=C4
Compound: 1-(4-morpholinyl)-2-[[3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]ethanone
SMILES: C1COCCN1C(=O)CSC2=NN3C(=NN=C3C4=CN=CC=C4)C=C2
Compound: N-(2-bromo-4-nitrophenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide
SMILES: CC(C)C1=NC(=NN1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br
Compound: N-(4-methylphenyl)-2-[4-[(5-methyl-2-thiophenyl)methylidene]-2,5-dioxo-1-imidazolidinyl]acetamide
SMILES: CC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CC3=CC=C(S3)C)NC2=O
Compound: 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2-phenylacetic acid
SMILES: C1CCC2=C(C1)C(=C(C(=N2)SC(C3=CC=CC=C3)C(=O)O)C#N)C4=CC=CS4
Compound: 1-[3-[(6-methoxy-2-naphthalenyl)-oxomethyl]-1-piperidinyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)thio]ethanone
SMILES: CC1=NN=C(O1)SCC(=O)N2CCCC(C2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)OC
Compound: 6-amino-4-[1-(2-furanyl)prop-1-en-2-yl]-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: CC(=CC1=CC=CO1)C2C(=C(OC3=NNC(=C23)C4=CC=CC=C4)N)C#N
Compound: 5-bromo-N-[(2-carbamoylanilino)-sulfanylidenemethyl]-2-furancarboxamide
SMILES: C1=CC=C(C(=C1)C(=O)N)NC(=S)NC(=O)C2=CC=C(O2)Br
Compound: 1-cyclohexyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea
SMILES: C1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O
Compound: 2-[8-[(2,6-dimethyl-4-morpholinyl)methyl]-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid ethyl ester
SMILES: CCOC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CC(OC(C3)C)C
Compound: N-[[(5-hydroxy-1-naphthalenyl)amino]-sulfanylidenemethyl]-2-furancarboxamide
SMILES: C1=CC2=C(C=CC=C2O)C(=C1)NC(=S)NC(=O)C3=CC=CO3
Compound: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,4R)-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-yl]methanone
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C[C@@H](C[C@@H](O4)OCCCCO)C5=CC=C(C=C5)C(F)(F)F
Compound: N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
SMILES: CCC(C1=NN=C(O1)SCC(=O)NCCC2=C(C=C(C=C2)Cl)Cl)N(C)C
Compound: 1-(4-methyl-1,2,5-oxadiazol-3-yl)-3-(3-pyridinyl)urea
SMILES: CC1=NON=C1NC(=O)NC2=CN=CC=C2
Compound: N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine
SMILES: CC1=NN=C(C2=CC=CC=C12)NC3=CC4=C(C=C3)OCO4
Compound: (3-amino-5-nitro-2-benzofuranyl)-phenylmethanone
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C=CC(=C3)[N+](=O)[O-])N
Compound: N-(2-furanylmethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CO3)C(=O)C4=CC=CC=C4
Compound: N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1$l^{4},4-benzothiazine-6-carboxamide
SMILES: CN1C(=O)CS(=O)C2=C1C=C(C=C2)C(=O)NCC3=CC=C(C=C3)OC
Compound: 3-[[(3R,4S)-2-(4-bromophenyl)-5-(3-chlorophenyl)-4-(2-methoxyphenyl)-3,4-dihydropyrazol-3-yl]-oxomethyl]-2-oxazolidinone
SMILES: COC1=CC=CC=C1[C@H]2[C@@H](N(N=C2C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Br)C(=O)N5CCOC5=O
Compound: 3,3-dimethyl-1-[[9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]thio]-2-butanone
SMILES: CC(C)(C)C(=O)CSC1=NC=C2CCC3=CSC(=C3C2=N1)SC
Compound: 2-(2-furanyl)-4-thiazolidinecarboxylic acid
SMILES: C1C(NC(S1)C2=CC=CO2)C(=O)O
Compound: 2-[3-[2-furanyl(oxo)methyl]-1-indolyl]-N-(2-methoxyphenyl)acetamide
SMILES: COC1=CC=CC=C1NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4
Compound: 3-[3-(4-fluorophenyl)-2,5,7-trimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-(2-methoxyphenyl)propanamide
SMILES: CC1=C(C(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)F)C)CCC(=O)NC4=CC=CC=C4OC
Compound: 2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)CSC4=NC=CC=N4
Compound: N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-5-tetrazolamine
SMILES: C1CCC(=CC1)CCNC2=NN=NN2C3=CC=CC=C3
Compound: 1-[(4-methoxyphenyl)-oxomethyl]-2H-quinoline-2-carbonitrile
SMILES: COC1=CC=C(C=C1)C(=O)N2C(C=CC3=CC=CC=C32)C#N
Compound: 1-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(phenylmethyl)urea
SMILES: CC1=CN(C(=O)C(=C1)NC(=O)NCC2=CC=CC=C2)CC3=CC=C(C=C3)F
Compound: N-(1,3-benzodioxol-5-yl)-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide
SMILES: COC1=CC=CC=C1N2C(=O)C3=C(CCS3)N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5
Compound: N'-[1-(3,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]acetohydrazide
SMILES: CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NNC(=O)C)C
Compound: 9-oxo-N-(1-phenylethyl)-3-bicyclo[3.3.1]nonanecarboxamide
SMILES: CC(C1=CC=CC=C1)NC(=O)C2CC3CCCC(C2)C3=O
Compound: N-[4-(4-methylphenyl)-2-thiazolyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide
SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4
Compound: 3-[(4-bromophenyl)methoxy]-6-methyl-2-nitropyridine
SMILES: CC1=NC(=C(C=C1)OCC2=CC=C(C=C2)Br)[N+](=O)[O-]
Compound: 4-(2-chlorophenyl)-3-(5-methyl-3-phenyl-4-isoxazolyl)-1H-1,2,4-triazole-5-thione
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C3=NNC(=S)N3C4=CC=CC=C4Cl
Compound: 4-(1-ethyl-2-benzimidazolyl)aniline
SMILES: CCN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)N
Compound: 4-(3-methoxyphenyl)-2-(4-phenyl-1-piperazinyl)-6-(trifluoromethyl)pyrimidine
SMILES: COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCN(CC3)C4=CC=CC=C4)C(F)(F)F
Compound: 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)CCCN3C(=O)C4=C(NC3=S)N=CC=C4
Compound: 3-(5-methyl-2-furanyl)-N-(2-thiazolyl)-2-propenamide
SMILES: CC1=CC=C(O1)C=CC(=O)NC2=NC=CS2
Compound: 4-[1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenoxy)-4-oxo-2-azetidinyl]benzoic acid methyl ester
SMILES: COC1=CC=C(C=C1)OC2C(N(C2=O)CCC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)C(=O)OC
Compound: 5-[[(4-methylphenyl)hydrazo]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
SMILES: CC1=CC=C(C=C1)NNC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3
Compound: N'-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-4,6-diphenyl-2-pyrimidinecarbohydrazide
SMILES: COC1=CC=CC(=CNNC(=O)C2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C1=O
Compound: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester
SMILES: CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)NC3=CC(=C(C=C3)F)Cl
Compound: 1-(2-phenanthrenyl)ethanone
SMILES: CC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3C=C2
Compound: 2-(1-azepanyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CN2CCCCCC2
Compound: 1-[(1'-acetyl-6-hydroxy-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]ylidene)amino]-3-(2-fluorophenyl)thiourea
SMILES: CC(=O)N1CCC2(CC1)CC(=NNC(=S)NC3=CC=CC=C3F)C4=C(O2)C=CC(=C4)O
Compound: 4-[[9-methyl-2-(2-methylpropyl)-1-oxo-4-pyrido[3,4-b]indolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(=O)C2=CN(C(=O)C3=C2C4=CC=CC=C4N3C)CC(C)C
Compound: 1-methyl-N-(2-naphthalenyl)-5-benzotriazolecarboxamide
SMILES: CN1C2=C(C=C(C=C2)C(=O)NC3=CC4=CC=CC=C4C=C3)N=N1
Compound: 5-methyl-3-[(N-methylanilino)methylidene]-2-thiophenone
SMILES: CC1=CC(=CN(C)C2=CC=CC=C2)C(=O)S1
Compound: N-(2-hydroxy-5-methoxy-1H-indol-3-yl)acetamide
SMILES: CC(=O)NC1=C(NC2=C1C=C(C=C2)OC)O
Compound: 2-chloro-5-[[2-(3-chloro-1,3-dinitroprop-2-enylidene)-3-[(6-chloro-3-pyridinyl)methyl]-1-imidazolidinyl]methyl]pyridine
SMILES: C1CN(C(=C(C=C([N+](=O)[O-])Cl)[N+](=O)[O-])N1CC2=CN=C(C=C2)Cl)CC3=CN=C(C=C3)Cl
Compound: 3-(4-butyl-3,5-dimethyl-1-pyrazolyl)-5-methyl-[1,2,4]triazino[5,6-b]indole
SMILES: CCCCC1=C(N(N=C1C)C2=NC3=C(C4=CC=CC=C4N3C)N=N2)C
Compound: 2-methyl-N-[(5-methyl-2-furanyl)methylideneamino]-3-furancarboxamide
SMILES: CC1=CC=C(O1)C=NNC(=O)C2=C(OC=C2)C
Compound: N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-1,3-benzothiazol-2-amine
SMILES: CC(=NNC1=NC2=CC=CC=C2S1)C3=CC4=C(C=C3)OCO4
Compound: 7-[(3-chlorophenyl)methylthio]-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILES: CC1=NN=C2N(C1=O)N=C(S2)SCC3=CC(=CC=C3)Cl
Compound: 3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
SMILES: C1CCC2=NN=C(N2CC1)CN3CCCC4=CC=CC=C43
Compound: 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid methyl ester
SMILES: COC(=O)C1=C(C(=NC2=C1CCCC2)N)C#N
Compound: 2-(1H-benzimidazol-2-ylthio)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILES: CCCC1=NN=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2
Compound: N-[[4-(methylthio)phenyl]methylideneamino]-2-(2-naphthalenylamino)acetamide
SMILES: CSC1=CC=C(C=C1)C=NNC(=O)CNC2=CC3=CC=CC=C3C=C2
Compound: 2-methyl-N-(2-naphthalenyl)-3-furancarboxamide
SMILES: CC1=C(C=CO1)C(=O)NC2=CC3=CC=CC=C3C=C2
Compound: [4-(2-methylphenyl)-1-piperazinyl]-(5-propyl-3-thiophenyl)methanone
SMILES: CCCC1=CC(=CS1)C(=O)N2CCN(CC2)C3=CC=CC=C3C
Compound: 3,5-diethyl-2-(3-hydroxypropylamino)-5-methyl-6H-benzo[h]quinazolin-4-one
SMILES: CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)NCCCO)CC)C
Compound: 8-[4-(3-chlorophenyl)-1-piperazinyl]-3-methyl-7-pentylpurine-2,6-dione
SMILES: CCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl)N(C(=O)NC2=O)C
Compound: 5-[(4-methoxy-3-methylphenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILES: CC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C)OC
Compound: 1-(2-methylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
SMILES: CC1=CC=CC=C1NC(=S)NCC2=CC3=C(C=C2)NC4=C3CCCC4
Compound: (3S,4aR,6aR,6bR,8aS,11S,12aS,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,14-diol
SMILES: C[C@]12CC[C@](C[C@@H]1C3=CC(C4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@]3(CC2)C)C)(C)C)O)C)O)(C)CO
Compound: 1-(3-methylphenyl)-3-[(4-methylphenyl)sulfonylimino-phenylmethyl]thiourea
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=CC=CC=C2)NC(=S)NC3=CC=CC(=C3)C
Compound: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester
SMILES: CC(C)C(C(=O)OCC(=O)N1CCCCC1)NC(=O)OCC2=CC=CC=C2
Compound: 4-[[4-(3-methylanilino)-3,5-dinitrophenyl]-oxomethyl]-1,3-dihydroquinoxalin-2-one
SMILES: CC1=CC(=CC=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3CC(=O)NC4=CC=CC=C43)[N+](=O)[O-]
Compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-dimethoxyphosphoryl-2-(1-naphthalenyl)-5-oxazolamine
SMILES: COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)C3=CC=CC4=CC=CC=C43)P(=O)(OC)OC)OC
Compound: 3-methyl-5-(4-morpholinylsulfonyl)-N-(2-pyridinylmethyl)-2-benzofurancarboxamide
SMILES: CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCC4=CC=CC=N4
Compound: 3-methyl-5-[(2-oxolanylmethylamino)methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one
SMILES: CC1=C2C=C(C(=O)N=C2N(N1)C3=CC=CC=C3)CNCC4CCCO4
Compound: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(dimethylamino)propyl]-1-ethylthiourea
SMILES: CCN(CC1COC2=CC=CC=C2O1)C(=S)NCCCN(C)C
Compound: 2-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide
SMILES: C1CC(OC1)CNC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F
Compound: 3-(2-furanyl)-2-propenoic acid (3-formylphenyl) ester
SMILES: C1=CC(=CC(=C1)OC(=O)C=CC2=CC=CO2)C=O
Compound: N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-quinolinecarboxamide
SMILES: COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NC4=CC=CC=C4C=C3
Compound: 4-[[[3-(2-fluorophenyl)-1-methyl-5-thieno[2,3-c]pyrazolyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(S2)N(N=C3C4=CC=CC=C4F)C
Compound: N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILES: CCC1=NN=C(O1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3
Compound: 5-methoxy-3-methyl-N-(3-methylbutyl)-2-benzofurancarboxamide
SMILES: CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NCCC(C)C
Compound: 5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILES: CNC1=NN=C(S1)C2=CC(=CC=C2)N(C)C
Compound: N-[3-(4-morpholinyl)propyl]-3-(3-pyridinyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amine
SMILES: C1CC2=C(C1)SC3=NC(=NC(=C23)NCCCN4CCOCC4)C5=CN=CC=C5
Compound: 2-(4-methylphenyl)thiazolidine
SMILES: CC1=CC=C(C=C1)C2NCCS2
Compound: 4-chloro-N-[(4-chlorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxamide
SMILES: C1=CC(=CC=C1CNC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl)Cl
Compound: 4-[[4-cyclohexyl-3-(2-hydroxyethyl)-1-piperazinyl]methyl]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=C(C=C1)CN2CCN(C(C2)CCO)C3CCCCC3
Compound: 2-(hexylamino)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone
SMILES: CCCCCCNCC(=O)N1CCC(CC1)CC2=CC=CC=C2
Compound: 1-[2-(2-chlorophenoxy)ethoxy]-2-methoxy-4-methylbenzene
SMILES: CC1=CC(=C(C=C1)OCCOC2=CC=CC=C2Cl)OC
Compound: N-[7-(2-furanyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
SMILES: CC(=O)NC1=NC=C2C(=N1)CC(CC2=O)C3=CC=CO3
Compound: 1-(4-fluorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
SMILES: CC1(CC2=C(C(=O)C1)C(C(=O)N2C3=CC=C(C=C3)F)(C(F)(F)F)O)C
Compound: 2-[(2,6-dichlorophenyl)methyl]-6-phenyl-5-(1-piperidinyl)-3-pyridazinone
SMILES: C1CCN(CC1)C2=CC(=O)N(N=C2C3=CC=CC=C3)CC4=C(C=CC=C4Cl)Cl
Compound: 2,2-dimethyl-N-pyridin-4-yl-3H-benzofuran-7-carboxamide
SMILES: CC1(CC2=CC=CC(=C2O1)C(=O)NC3=CC=NC=C3)C
Compound: 3-[(2-methylphenyl)hydrazinylidene]-2-piperidinone
SMILES: CC1=CC=CC=C1NN=C2CCCNC2=O
Compound: N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester
SMILES: CCN(CC)C(=S)SCC(=O)C1=C(NC2=CC=CC=C21)C
Compound: 3-methyl-1,5-dithiophen-2-ylpentane-1,5-dione
SMILES: CC(CC(=O)C1=CC=CS1)CC(=O)C2=CC=CS2
Compound: 1-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione
SMILES: CC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=NN3
Compound: 2-(3,5-dimethyl-1-pyrazolyl)benzonitrile
SMILES: CC1=CC(=NN1C2=CC=CC=C2C#N)C
Compound: 1-(3-methylphenyl)-3-(1-phenylpropylideneamino)thiourea
SMILES: CCC(=NNC(=S)NC1=CC=CC(=C1)C)C2=CC=CC=C2
Compound: 4-butoxy-N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]benzamide
SMILES: CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C(C)C
Compound: N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-3-methylbutanamide
SMILES: CC1=C(SC(=N1)NC(=O)CC(C)C)C2=CSC(=N2)NC3=CC(=CC=C3)OC
Compound: N-(2-quinolinyl)cyclohexanecarboxamide
SMILES: C1CCC(CC1)C(=O)NC2=NC3=CC=CC=C3C=C2
Compound: 4-bromo-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)benzamide
SMILES: CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=O)C3=CC=C(C=C3)Br
Compound: 4-[[1-azepanyl(oxo)methyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCCCCC2
Compound: 1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-phenylethyl]thiourea
SMILES: CN(C)C(CNC(=S)NC1=CC(=CC=C1)Cl)C2=CC=CC=C2
Compound: 3-butan-2-yl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)thiourea
SMILES: CCC(C)NC(=S)N(CCC1=CC=CC=C1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC
Compound: (1S,2R)-2-[[4-[(2,4-dimethylphenyl)sulfamoyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid
SMILES: CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)C
Compound: N-[2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILES: C1CN(CCN1CCNC2=NC3=CC=CC=C3N4C2=NN=C4)C5=CC(=CC=C5)Cl
Compound: 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILES: COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC(=CC=C5)F
Compound: 2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
SMILES: CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl
Compound: 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide
SMILES: COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5
Compound: 2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC
Compound: N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)C6=CC=CC=C6
Compound: 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
SMILES: CN(C)C(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C
Compound: N-[(1S,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=C(C=CC(=C5)F)F
Compound: 2-[(1R,3S,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
SMILES: C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5
Compound: N-[(1S,3R,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C1[C@@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=C(C=C6)Cl
Compound: N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)C6=CC=CC=C6
Compound: 2-[(1S,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
SMILES: C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5
Compound: 2-[(1R,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC(=CC=C4)F
Compound: 2-[(1R,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC
Compound: N-[(1R,3S,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C1[C@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=C(C=C6)Cl
Compound: 2-[(1S,3R,4aR,9aS)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
SMILES: C1[C@@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)O
Compound: N-[(1R,3S,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CCC(CC1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5CC5
Compound: N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC(F)(F)F
Compound: N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5CC5
Compound: 2-[(1S,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC
Compound: 2-[(1S,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4CC4
Compound: 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
SMILES: COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl
Compound: N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=N5
Compound: 2-[(1S,3R,4aR,9aS)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
SMILES: C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CN=CC=C5
Compound: 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILES: COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC(=CC=C5)F
Compound: 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
SMILES: COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCCC5=CC=CC=C5
Compound: N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5CC5
Compound: 2-[(1S,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5
Compound: 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILES: COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC(=CC=C5)F
Compound: 2-[(1S,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5
Compound: 2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
SMILES: COC(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F
Compound: 2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILES: C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)NCC5=CC(=CC=C5)F
Compound: N-[(1R,3R,4aR,9aS)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC6=C(C=C5)OCO6
Compound: 2-[(1R,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
SMILES: C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5
Compound: N-[(1R,3R,4aS,9aR)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=C(C=C6)Cl
Compound: 2-[(1S,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
SMILES: C1CCC(C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5
Compound: 2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4CC4
Compound: N-[(1R,3R,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CCC(CC1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5CC5
Compound: N-[(1S,3S,4aS,9aR)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=C(C=C6)Cl
Compound: N-[(1S,3S,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CCC(CC1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5CC5
Compound: 2-[(1R,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
SMILES: C1CCC(C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5
Compound: 2-[(1R,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
SMILES: COC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4CCCC4
Compound: 2-[(1S,3S,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
SMILES: C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CN=CC=C5
Compound: 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILES: COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC(=CC=C5)F
Compound: 2-[(1S,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5
Compound: 2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
SMILES: COC(=O)C[C@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
SMILES: COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCCN4CCCCC4
Compound: N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=C(C=C5)C6=CC=CC=C6
Compound: N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CCN(CC1)C(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5CC5
Compound: 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
SMILES: COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)OC
Compound: 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILES: CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=NC=C4
Compound: N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: COCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)CC4CC4
Compound: 2-[(1R,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILES: C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4F)CO)CC(=O)NCC5=CC=NC=C5
Compound: 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
SMILES: COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCCC4=CC=CC=C4
Compound: 2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4CC4
Compound: 2-[(1R,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC(=CC=C4)F
Compound: N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC(F)(F)F
Compound: 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
SMILES: COC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F
Compound: N-[(1R,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=C(C=CC(=C5)F)F
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
SMILES: CN(C)C(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)COC
Compound: 2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILES: C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4F)CO)CC(=O)NCC5=CC=NC=C5
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILES: COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCC(F)(F)F
Compound: N-[(1S,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=C(C=CC(=C5)F)F