MonarchInit/C3PO huggingface dataset:
Compound: 2-(benzenesulfonyl)-3-[2-(4-methyl-1-piperazinyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenenitrile
SMILES: CN1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)S(=O)(=O)C4=CC=CC=C4
Compound: N2-tert-butyl-6-ethoxy-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
SMILES: CCOC1=NC(=NC(=N1)NC(C)(C)C)NC2=CC=C(C=C2)[N+](=O)[O-]
Compound: 2-[[2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methylthio]-5-methyl-1,3,4-thiadiazole
SMILES: CCOC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NN=C(S3)C)OC
Compound: 3-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)hydrazo]-2-indolone
SMILES: CC1=C(SC2=NC=NC(=C12)NNC3=C4C=CC=CC4=NC3=O)C
Compound: 3-bromo-5-ethoxy-N-(4-fluorophenyl)-4-methoxybenzamide
SMILES: CCOC1=C(C(=CC(=C1)C(=O)NC2=CC=C(C=C2)F)Br)OC
Compound: LSM-31374
SMILES: CC(C)CC(C(=O)O)N1C(=O)C2C3CC(C2C1=O)C4C3C(C5=C(S4)NC(=O)S5)C6=CC=CC=C6
Compound: N-[4-methyl-5-[2-(4-methylanilino)-4-thiazolyl]-2-thiazolyl]-2-furancarboxamide
SMILES: CC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C(S3)NC(=O)C4=CC=CO4)C
Compound: 5-(4-bromophenyl)-N-propan-2-yl-3-isoxazolecarboxamide
SMILES: CC(C)NC(=O)C1=NOC(=C1)C2=CC=C(C=C2)Br
Compound: 5-(3-bromophenyl)-1-(furan-2-ylmethyl)-4-(5-methylfuran-2-carbonyl)pyrrolidine-2,3-dione
SMILES: CC1=CC=C(O1)C(=O)C2C(N(C(=O)C2=O)CC3=CC=CO3)C4=CC(=CC=C4)Br
Compound: 3-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3-[4-[(4-fluorophenyl)methylamino]-3-nitrophenyl]propanamide
SMILES: C1=CC(=CC=C1CC(=O)NC(CC(=O)N)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)F)[N+](=O)[O-])Br
Compound: 2-fluorobenzoic acid [[amino-(5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinyl)methylidene]amino] ester
SMILES: CC1=CC(=NC2=C(C=NN12)C(=NOC(=O)C3=CC=CC=C3F)N)C
Compound: 2-(2-hydroxyethylthio)-N-(2-methylphenyl)acetamide
SMILES: CC1=CC=CC=C1NC(=O)CSCCO
Compound: 2-[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-2-oxo-N-(3-pyridinylmethyl)acetamide
SMILES: COC1=CC(=CNNC(=O)C(=O)NCC2=CN=CC=C2)C=CC1=O
Compound: 3-[3-(2-bromophenyl)-1-hydroxyprop-2-enylidene]-6-methylpyran-2,4-dione
SMILES: CC1=CC(=O)C(=C(C=CC2=CC=CC=C2Br)O)C(=O)O1
Compound: N-[2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-2-furancarboxamide
SMILES: COCCN(C(C1=CC=CS1)C(=O)NC2CCCCC2)C(=O)CNC(=O)C3=CC=CO3
Compound: 4-(1,3-benzodioxol-5-ylhydrazinylidene)pyrazole-3,5-diamine
SMILES: C1OC2=C(O1)C=C(C=C2)NN=C3C(=NN=C3N)N
Compound: 4-[[(3-methoxyphenyl)-oxomethyl]amino]benzoic acid
SMILES: COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O
Compound: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
SMILES: CC1=CC(=CC=C1)NC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)OC
Compound: 3-[[5-bromo-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindol-7-yl]sulfonyl]-N-[(5-methyl-2-furanyl)methyl]propanamide
SMILES: CC1=CC=C(O1)CNC(=O)CCS(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C4CC4
Compound: 3-amino-5-methoxy-2-benzofurancarboxylic acid methyl ester
SMILES: COC1=CC2=C(C=C1)OC(=C2N)C(=O)OC
Compound: 2-(4-bromophenoxy)-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]acetamide
SMILES: CC1=CC(=C(C=C1)O)NC(=S)NC(=O)COC2=CC=C(C=C2)Br
Compound: 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-(2-methylpropyl)amino]-2-oxoethyl] ester
SMILES: CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(S2)CCC3
Compound: 1-tert-butyl-3-[[(2-chlorophenyl)-oxomethyl]amino]thiourea
SMILES: CC(C)(C)NC(=S)NNC(=O)C1=CC=CC=C1Cl
Compound: 2,5-dimethyl-3-furancarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
SMILES: CC1=CC(=C(O1)C)C(=O)OCC(=O)N2CCC3=CC=CC=C32
Compound: 2-(3-methoxyphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one
SMILES: COC1=CC=CC(=C1)C2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2
Compound: acetic acid [4-[(4-hydroxyanilino)-oxomethyl]-2-methoxyphenyl] ester
SMILES: CC(=O)OC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)O)OC
Compound: N-(1,3-benzodioxol-5-yl)-3-[(2-methyl-1-oxopropyl)amino]benzamide
SMILES: CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCO3
Compound: 4-(4-morpholinyl)-3-nitro-N-(2-thiazolyl)benzamide
SMILES: C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NC=CS3)[N+](=O)[O-]
Compound: (2R,4S)-6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol
SMILES: COC(C[C@H](C[C@H](COCC1=CC=CC=C1)O)O)OC
Compound: 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-oxanylmethyl)-3-isoxazolecarboxamide
SMILES: CC1=C(C=C(C=C1)OCC2=CC(=NO2)C(=O)N(C)CC3CCOCC3)C
Compound: 2-[(2-chlorophenyl)hydrazinylidene]-2-[[5-[hydroxy(phenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester
SMILES: COC(=O)C(=NNC1=CC=CC=C1Cl)SC2=NN=C(N2C3=CC=CC=C3)C(C4=CC=CC=C4)O
Compound: 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-N-(2-oxolanylmethyl)acetamide
SMILES: C1CC(OC1)CNC(=O)CSC2=NN3C(=NN=C3C4=CC=C(C=C4)F)C=C2
Compound: 3-(1-benzimidazolyl)-6-ethyl-7-hydroxy-1-benzopyran-4-one
SMILES: CCC1=C(C=C2C(=C1)C(=O)C(=CO2)N3C=NC4=CC=CC=C43)O
Compound: 3-(4-fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide
SMILES: COC1=CC=C(C=C1)C2=C(C3=C(S2=O)C=C(C=C3)OC)OC4=CC=C(C=C4)F
Compound: N-(1,7-dimethyl-3-pyrazolo[3,4-b]quinolinyl)acetamide
SMILES: CC1=CC2=NC3=C(C=C2C=C1)C(=NN3C)NC(=O)C
Compound: 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester
SMILES: C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]
Compound: 1,4,8-trimethyl-12-quinolino[2,3-b]quinolinamine
SMILES: CC1=CC2=NC3=NC4=C(C=CC(=C4C(=C3C=C2C=C1)N)C)C
Compound: N,N'-bis(3-methylphenyl)ethane-1,2-diamine
SMILES: CC1=CC(=CC=C1)NCCNC2=CC=CC(=C2)C
Compound: 5-bromo-N-[4-(4-methyl-1-piperazinyl)phenyl]-2-furancarboxamide
SMILES: CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br
Compound: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(1H-benzimidazol-2-yl)benzamide
SMILES: CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC4=CC=CC=C4N3
Compound: [1-[[1-(5-chloro-2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidinyl]-(2,4-dimethoxyphenyl)methanone
SMILES: COC1=CC(=C(C=C1)C(=O)C2CCCN(C2)CC3=CC=CN3C4=NC=C(C=C4)Cl)OC
Compound: 4-[2,2-bis(1-phenyl-5-tetrazolyl)ethenyl]-N,N-dimethylaniline
SMILES: CN(C)C1=CC=C(C=C1)C=C(C2=NN=NN2C3=CC=CC=C3)C4=NN=NN4C5=CC=CC=C5
Compound: 1-(4-bromophenyl)-3-(2-fluorophenyl)thiourea
SMILES: C1=CC=C(C(=C1)NC(=S)NC2=CC=C(C=C2)Br)F
Compound: 3-(4-nitrophenyl)-N-(4-phenylbutyl)-5-(phenylmethyl)-4,6-dihydro-3aH-pyrrolo[3,4-d]isoxazole-6a-carboxamide
SMILES: C1C2C(=NOC2(CN1CC3=CC=CC=C3)C(=O)NCCCCC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]
Compound: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile
SMILES: CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC3=C(ON=C3C)C)C#N
Compound: 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILES: COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)COC
Compound: 5-[[(4-chlorophenyl)thio]methyl]-2-methyl-1H-pyrazol-3-one
SMILES: CN1C(=O)C=C(N1)CSC2=CC=C(C=C2)Cl
Compound: 4-[[2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone
SMILES: CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=NN(C3=O)C4=CC=CC=C4)C
Compound: N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-5-nitro-2-thiophenecarboxamide
SMILES: C1COC(=CO1)C2=NN=C(O2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]
Compound: 1-methoxy-10H-acridin-9-one
SMILES: COC1=CC=CC2=C1C(=O)C3=CC=CC=C3N2
Compound: 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl] ester
SMILES: COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)O
Compound: 2-[4-(2-methylpropyl)phenyl]propanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester
SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC(=O)C2=CNC3=CC=CC=C32
Compound: 2-(4-methoxyphenyl)-N-(phenylmethyl)-N-propan-2-ylacetamide
SMILES: CC(C)N(CC1=CC=CC=C1)C(=O)CC2=CC=C(C=C2)OC
Compound: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methylphenyl)-4-piperidinecarboxamide
SMILES: CC1=CC=CC=C1NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43
Compound: 2-[4-oxo-2-(1-piperidinyl)-5-thiazolyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILES: C1CCN(CC1)C2=NC(=O)C(S2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F
Compound: 6-ethyl-8-methyl-N-(3-pyridinylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide
SMILES: CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CN=CC=C3)SC4=C1C=C(C=C4)C
Compound: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-(2-methoxyanilino)-2-oxoethyl] ester
SMILES: CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)NC4=CC=CC=C4OC
Compound: 7-[(4-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=C(C=C3)Cl
Compound: 1-(2,5-dichlorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILES: CC1=NC(=NN1C2=C(C=CC(=C2)Cl)Cl)C(=O)NC
Compound: 2,4-dichloro-6-[(2-thiazolylamino)methylidene]-1-cyclohexa-2,4-dienone
SMILES: C1=CSC(=N1)NC=C2C=C(C=C(C2=O)Cl)Cl
Compound: 3-(4-methoxyphenyl)-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide
SMILES: CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)OC)C(=S)NC
Compound: 4-dimethoxyphosphoryl-2-(1-naphthalenyl)-N-(phenylmethyl)-5-oxazolamine
SMILES: COP(=O)(C1=C(OC(=N1)C2=CC=CC3=CC=CC=C32)NCC4=CC=CC=C4)OC
Compound: 4-(2-quinolinyl)-3-buten-2-one
SMILES: CC(=O)C=CC1=NC2=CC=CC=C2C=C1
Compound: 4-[(4-chlorophenyl)hydrazo]-5-methyl-3-pyrazolone
SMILES: CC1=C(C(=O)N=N1)NNC2=CC=C(C=C2)Cl
Compound: [4-(2-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone
SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)C4=CC=CC=C4Cl)[N+](=O)[O-]
Compound: LSM-31434
SMILES: CC1C(C2(C3CCCCC3(O1)OC2=N)C#N)(C#N)C#N
Compound: 2-amino-4-(5-methyl-2-furanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILES: CC1=CC=C(O1)C2=C(C(=NC3=C2CCCC3)N)C#N
Compound: 2-(2,3-dihydroxypropylamino)-5-nitro-3-pyridinecarbonitrile
SMILES: C1=C(C(=NC=C1[N+](=O)[O-])NCC(CO)O)C#N
Compound: 2-[(3-fluorophenyl)methylthio]pyrimidine-4,6-diamine
SMILES: C1=CC(=CC(=C1)F)CSC2=NC(=CC(=N2)N)N
Compound: 5-methyl-N'-(2-pyrrolylidenemethyl)-3-isoxazolecarbohydrazide
SMILES: CC1=CC(=NO1)C(=O)NNC=C2C=CC=N2
Compound: 3-methoxy-N-(2,3,4-trifluorophenyl)benzamide
SMILES: COC1=CC=CC(=C1)C(=O)NC2=C(C(=C(C=C2)F)F)F
Compound: 4-[[3-[(2-chlorophenyl)methyl]-5-cyclopropyl-7-triazolo[4,5-d]pyrimidinyl]amino]-N,N-dimethylbenzenesulfonamide
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=NN3CC4=CC=CC=C4Cl)C5CC5
Compound: 2-[[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(4-methoxyphenyl)acetamide
SMILES: CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CC=C(C=C3)OC
Compound: N-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]-4-[(2-methyl-1-piperidinyl)sulfonyl]benzamide
SMILES: CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=CO4
Compound: (-)-Tylocrebrine
SMILES: COc1cc2c3C[C@@H]4CCCN4Cc3c3ccc(OC)c(OC)c3c2cc1OC
Compound: 5-(methoxymethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILES: COCC1=CC(=O)N2C(=N1)C=C(N2)C3=CC=CC=C3
Compound: LSM-31444
SMILES: C1=CC=C(C=C1)CCN2C(=O)C(C(=O)NC2=O)C(=O)C=CC3=CC=CC=C3
Compound: N-[4-[3-(2-methoxyphenyl)-1-oxoprop-2-enyl]phenyl]acetamide
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2OC
Compound: 5-amino-2-ethylsulfonyl-6-[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILES: CCS(=O)(=O)C1=NN2C(=C(C(=O)N=C2S1)C=C3C=CC(=O)C(=C3)OC)N
Compound: 3-[[3-[(4-acetamidophenyl)sulfonylamino]-1,4-dihydroquinoxalin-2-yl]imino]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(NC3=CC=CC=C3N2)N=C4C=CC(=O)C(=C4)C(=O)O
Compound: 4-(2-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinol
SMILES: COC1=CC=C(C=C1)CN2C(=NN=N2)CN3CCC(CC3)(C4=CC=CC=C4F)O
Compound: N-[3-amino-1-[4-[2-(4-methoxyphenyl)ethylamino]-3-nitrophenyl]-3-oxopropyl]-4-bromobenzamide
SMILES: COC1=CC=C(C=C1)CCNC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]
Compound: N'-(4-phenyl-2-thiazolyl)-N-(2-pyridinylmethyl)oxamide
SMILES: C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(=O)NCC3=CC=CC=N3
Compound: 4-(2-methyl-5-phenyl-1-pyrrolyl)benzoic acid
SMILES: CC1=CC=C(N1C2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3
Compound: 2-amino-4-(2-chlorophenyl)-7-[(2-chlorophenyl)methylidene]-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile
SMILES: C1CC2=C(C1=CC3=CC=CC=C3Cl)OC(=C(C2C4=CC=CC=C4Cl)C#N)N
Compound: 2-[(2-chloro-4-nitroanilino)methyl]-6-methoxyphenol
SMILES: COC1=CC=CC(=C1O)CNC2=C(C=C(C=C2)[N+](=O)[O-])Cl
Compound: LSM-31454
SMILES: CC1CCN(CC1)C2=[NH+]C=NC3=C2NC=N3
Compound: 5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-2-furancarboxamide
SMILES: CC1=CC(=C(C=C1)C)C(C)NC(=O)C2=CC=C(O2)Br
Compound: N-tert-butyl-2-[(2-chloro-1-oxoethyl)-(2-furanylmethyl)amino]-2-(4-chlorophenyl)acetamide
SMILES: CC(C)(C)NC(=O)C(C1=CC=C(C=C1)Cl)N(CC2=CC=CO2)C(=O)CCl
Compound: 2-(3,4-dimethylanilino)-5-[(1-methyl-3-indolyl)methylidene]-4-thiazolone
SMILES: CC1=C(C=C(C=C1)NC2=NC(=O)C(=CC3=CN(C4=CC=CC=C43)C)S2)C
Compound: N-[3-(3-chlorophenyl)phenyl]-1-(3-oxolanylmethyl)-4-piperidinecarboxamide
SMILES: C1CN(CCC1C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)Cl)CC4CCOC4
Compound: 3-phenyl-3-(4-quinazolinylhydrazinylidene)propanoic acid ethyl ester
SMILES: CCOC(=O)CC(=NNC1=NC=NC2=CC=CC=C21)C3=CC=CC=C3
Compound: 5-[2-(1-azepanyl)-2-oxoethyl]-1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinone
SMILES: CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)N4CCCCCC4
Compound: 2-chloro-3-pyridinecarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
SMILES: C1CN(C2=CC=CC=C21)C(=O)COC(=O)C3=C(N=CC=C3)Cl
Compound: 2-(4-morpholinyl)-10-pyridazino[6,1-b]quinazolinone
SMILES: C1COCCN1C2=NN3C(=NC4=CC=CC=C4C3=O)C=C2
Compound: 4-[[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-yl-6-purinyl]amino]methyl]benzenesulfonamide
SMILES: CC(C)[C@H](CO)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)S(=O)(=O)N)N=CN2C(C)C
Compound: 3-[(4-chlorophenyl)-oxomethyl]-2-phenyl-7-indolizinecarboxylic acid
SMILES: C1=CC=C(C=C1)C2=C(N3C=CC(=CC3=C2)C(=O)O)C(=O)C4=CC=C(C=C4)Cl
Compound: 1-[2-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)ethyl]-3-phenylurea
SMILES: C1=CC=C(C=C1)NC(=O)NCCN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)N
Compound: 1-hydroxy-3,9-dimethyl-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one
SMILES: CC1CCC2=C(C1)C3=C(C=C(C=C3O)C)OC2=O
Compound: N-[2,5-diethoxy-4-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]phenyl]-2-furancarboxamide
SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC)NC(=O)C3=CC=CO3
Compound: N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)benzenesulfonamide
SMILES: COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCO)S(=O)(=O)C3=CC=CC=C3)OC
Compound: 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (2-anilino-2-oxoethyl) ester
SMILES: C1CC(=CC2=CC=CS2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)NC5=CC=CC=C5
Compound: 1-ethyl-2-methyl-N-[(phenylmethylene)amino]-5-benzimidazolecarboxamide
SMILES: CCN1C(=NC2=C1C=CC(=C2)C(=O)NN=CC3=CC=CC=C3)C
Compound: 2-(4-chlorophenyl)-N-[4-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILES: C1=COC(=C1)C2=NN=C(O2)C3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)Cl
Compound: 4-[(1,3-diphenyl-4-pyrazolyl)methylidene]-3-methyl-1H-pyrazol-5-one
SMILES: CC1=NNC(=O)C1=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4
Compound: 4-[2-[[1-[(2-methylphenyl)methyl]-3-indolyl]sulfonyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(=O)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4C
Compound: N-(1H-benzimidazol-2-yl)-3-(1-imidazolyl)propanamide
SMILES: C1=CC=C2C(=C1)NC(=N2)NC(=O)CCN3C=CN=C3
Compound: 1-(4-methylphenyl)sulfonyl-4-phenyl-3-pyrazolamine
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=N2)N)C3=CC=CC=C3
Compound: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
SMILES: COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC=CO3
Compound: 2-chloro-N-ethyl-N-phenylpropanamide
SMILES: CCN(C1=CC=CC=C1)C(=O)C(C)Cl
Compound: 4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide
SMILES: CCC(C)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC3(C2)CCCCC3
Compound: 2-(2-fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile
SMILES: COC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=CC=C3F)C#N
Compound: 5-[[5-(diethylamino)-2-furanyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILES: CCN(CC)C1=CC=C(O1)C=C2C(=O)N(C(=S)N(C2=O)C)C
Compound: 2-[(2-chloro-1-oxoethyl)-(2,2-dimethoxyethyl)amino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
SMILES: COC(CN(C(C1=CC=C(C=C1)Cl)C(=O)NC2CCCCC2)C(=O)CCl)OC
Compound: 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester
SMILES: CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]
Compound: 3-[[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]-(1-pyrrolidinyl)methyl]-8-methyl-1H-quinolin-2-one
SMILES: CC1=CC=CC2=C1NC(=O)C(=C2)C(C3=NN=NN3CC4=CC5=C(C=C4)OCO5)N6CCCC6
Compound: 2-(3,4-dichlorophenoxy)-6-(4-fluorophenyl)-3-pyridinecarbonitrile
SMILES: C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)OC3=CC(=C(C=C3)Cl)Cl)F
Compound: 5-methyl-7-(trifluoromethyl)-2-thiazolo[4,5-b]pyridinamine
SMILES: CC1=NC2=C(C(=C1)C(F)(F)F)SC(=N2)N
Compound: 5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-cyclohexyl-2-oxo-3-pyridinecarbonitrile
SMILES: C1CCC(CC1)N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O
Compound: [[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]thiourea
SMILES: COC1=C(C(=CC(=C1)C=NNC(=S)N)Br)OCC2=CC=CC=C2F
Compound: 1-(3,4-dihydroxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone
SMILES: CN1C=NN=C1SCC(=O)C2=CC(=C(C=C2)O)O
Compound: 5-(1-ethyl-6-methyl-2-quinolinylidene)-1,3-dimethyl-2-sulfanylidene-4-imidazolidinone
SMILES: CCN1C2=C(C=CC1=C3C(=O)N(C(=S)N3C)C)C=C(C=C2)C
Compound: 6-(4-fluorophenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILES: C1=CC(=CC=C1C2=CC(=C(C(=O)N2)C#N)C(F)(F)F)F
Compound: N-(3,5-dichlorophenyl)-4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzamide
SMILES: C1=CC(=CC=C1CN2C(=O)C3=C(C=CS3)NC2=O)C(=O)NC4=CC(=CC(=C4)Cl)Cl
Compound: N-[1-(4-nitrophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
SMILES: CC(=NNC(=O)CC1=CC(=O)NN1)C2=CC=C(C=C2)[N+](=O)[O-]
Compound: 6-ethoxy-2-[(4-fluorophenyl)methylthio]-1,3-benzothiazole
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)SCC3=CC=C(C=C3)F
Compound: 2-(1,5-dimethyl-4-pyrazolyl)-4-quinolinecarboxylic acid
SMILES: CC1=C(C=NN1C)C2=NC3=CC=CC=C3C(=C2)C(=O)O
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILES: COC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3=CC4=C(C=C3)OCCO4
Compound: 2-(4-chlorophenyl)-5-methyl-4-oxo-2,3-dihydro-1H-thieno[3,4-d]pyrimidine-7-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C2C(=C(S1)C)C(=O)NC(N2)C3=CC=C(C=C3)Cl
Compound: 3,4-dimethyl-N-(8-quinolinyl)benzamide
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2N=CC=C3)C
Compound: 2-[[2-[[4-(2-furanylmethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILES: C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)CSC3=NN=C(N3CC4=CC=CO4)CC5=CC=CC=C5
Compound: 2-(1-iminoethyl)-4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-3-oxobutanenitrile
SMILES: CC1=CC(=CC=C1)NC2=NN=C(S2)SCC(=O)C(C#N)C(=N)C
Compound: 5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)-4-thieno[2,3-d][1,3]oxazinone
SMILES: CC1=CC=C(C=C1)C2=NC3=C(C(=CS3)C4=CC(=C(C=C4)OC)OC)C(=O)O2
Compound: 3-(3,4-dimethoxyphenyl)-N-[[(1-oxo-2-thiophen-2-ylethyl)hydrazo]-sulfanylidenemethyl]-2-propenamide
SMILES: COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NNC(=O)CC2=CC=CS2)OC
Compound: 2-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]hexanoic acid
SMILES: CCCCC(C(=O)O)SC1=NC(=O)C(=C(N1)C)CC2=CC=CC=C2
Compound: N-[[6-cyano-5-(ethylamino)-3-methyl-2-pyrazinyl]methyl]-N-phenylacetamide
SMILES: CCNC1=C(N=C(C(=N1)C)CN(C2=CC=CC=C2)C(=O)C)C#N
Compound: N-(4-cyclohexylphenyl)-2-(2-hydroxyethylthio)acetamide
SMILES: C1CCC(CC1)C2=CC=C(C=C2)NC(=O)CSCCO
Compound: 4-bromo-6-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methylidene]-1-cyclohexa-2,4-dienone
SMILES: C1=CC(=O)C(=CNC(CO)(CO)CO)C=C1Br
Compound: 3-(4-chlorophenyl)sulfonyl-2-imino-1-(2-phenylethyl)-5-dipyrido[1,2-d:3',4'-f]pyrimidinone
SMILES: C1=CC=C(C=C1)CCN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)Cl)C(=O)N5C=CC=CC5=N3
Compound: N-(3,4-dimethylphenyl)-2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]acetamide
SMILES: CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)CSC4=NC(=CC(=N4)C)C)C
Compound: 2-[5-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-furanyl]benzoic acid
SMILES: C1=CC=C(C(=C1)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4N3)C(=O)O
Compound: N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
SMILES: C1[C@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCCC5=CC=CC=C5
Compound: N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
SMILES: COC1=CC=C(C=C1)CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5
Compound: N-[(1R,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
SMILES: C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@H]4[C@@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)CC6=CC=NC=C6
Compound: N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
SMILES: C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCCC5=CC=CC=C5
Compound: LSM-31513
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NCC4=CC=C(C=C4)OC)C5=CC=CC=C5N2C)[C@H](C)CO
Compound: LSM-31514
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: LSM-31515
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NCC4=CC=C(C=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: LSM-31516
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5N2C)[C@H](C)CO
Compound: 3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=CC(=CC=C3)F
Compound: N-[2-[(2R,5R,6S)-5-[[cyclobutyl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide
SMILES: C1CC(C1)C(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)C3=NC=CN=C3
Compound: N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3CCC3
Compound: 2-[(2S,5R,6S)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetic acid
SMILES: C1C[C@H]([C@H](O[C@@H]1CC(=O)O)CO)NC(=O)NC2=CC=CC=C2
Compound: 1-[(2S,3R,6R)-6-[2-(4-cyclopentyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea
SMILES: CCCNC(=O)N[C@@H]1CC[C@@H](O[C@@H]1CO)CCN2C=C(N=N2)C3CCCC3
Compound: N-[(2R,3R,6S)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
SMILES: C1C[C@H]([C@@H](O[C@@H]1CCNC(=O)C2=CC=CC=C2F)CO)NC(=O)C3=NC=CN=C3
Compound: 3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]benzamide
SMILES: C1C[C@H]([C@@H](O[C@@H]1CC(=O)N2CCOCC2)CO)NC(=O)C3=CC(=CC=C3)F
Compound: 2-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[[1-oxo-2-(2-pyridinyl)ethyl]amino]ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@@H]([C@@H](O[C@@H]1CCNC(=O)CC2=CC=CC=N2)CO)NC(=O)C3=CC=CC=C3F
Compound: 2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@@H](O[C@H]2CO)CC(=O)OC
Compound: N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-phenylacetamide
SMILES: C1C[C@@H]([C@@H](O[C@@H]1CC(=O)N2CCOCC2)CO)NC(=O)CC3=CC=CC=C3
Compound: 2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)NC3=CC=CC=C3OC
Compound: 3-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxanyl]benzamide
SMILES: COC1=CC=C(C=C1)CNC(=O)C[C@@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3=CC(=CC=C3)F
Compound: 3-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@H]([C@H](O[C@H]1CC(=O)NC2=NC=CS2)CO)NC(=O)C3=CC(=CC=C3)F
Compound: 2-[(2R,5S,6S)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetic acid
SMILES: C1C[C@@H]([C@H](O[C@H]1CC(=O)O)CO)NC(=O)NC2=CC=CC=C2
Compound: 2-[(2S,5S,6S)-5-[[(2,5-difluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide
SMILES: C1C[C@@H]([C@H](O[C@@H]1CC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)CO)NC(=O)NC4=C(C=CC(=C4)F)F
Compound: 3-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC[C@@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=CC(=CC=C3)F
Compound: 2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]acetic acid methyl ester
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CC(=O)OC
Compound: 2-[(2S,3R,6R)-3-[[(cyclopentylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-methoxyethyl)acetamide
SMILES: COCCNC(=O)C[C@@H]1C=C[C@H]([C@H](O1)CO)NC(=O)NC2CCCC2
Compound: N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3CCC3
Compound: 3,5-dichloro-N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[1-oxo-3-(1-piperidinyl)propyl]amino]-2-oxanyl]ethyl]benzamide
SMILES: C1CCN(CC1)CCC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CCNC(=O)C3=CC(=CC(=C3)Cl)Cl
Compound: 2-fluoro-N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzenesulfonamide
SMILES: CC1=CC(=CC=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CCNS(=O)(=O)C3=CC=CC=C3F
Compound: N-[(2R,3S,6S)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
SMILES: CCC(=O)N[C@H]1C=C[C@@H](O[C@H]1CO)CC(=O)NCC2=CC(=CC(=C2)F)F
Compound: 3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC[C@@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CC(=CC=C3)F
Compound: 2-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CCNC(=O)CN2CCOCC2)CO)NC(=O)C3=CC=CC=C3F
Compound: 2-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@@H]([C@H](O[C@@H]1CCNC(=O)CN2CCOCC2)CO)NC(=O)C3=CC=CC=C3F
Compound: N-[(2S,3R,6S)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide
SMILES: CN(C)CCCNC(=O)C[C@H]1C=C[C@H]([C@H](O1)CO)NC(=O)C2=CC=CC=C2F
Compound: 1-[(2R,3R,6S)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@@H]1CC[C@H](O[C@H]1CO)CCN2C=C(N=N2)C3=CC=C(C=C3)F
Compound: N-[(2R,3S,6S)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
SMILES: C1C[C@@H]([C@@H](O[C@@H]1CCNC(=O)C2=CC=CC=C2F)CO)NC(=O)C3=NC=CN=C3
Compound: 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-[(1S)-1-phenylethyl]acetamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)NC3=CC=CC=C3OC
Compound: 1-[(2R,3R,6S)-6-[2-(4-cyclopentyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea
SMILES: CCCNC(=O)N[C@@H]1CC[C@H](O[C@H]1CO)CCN2C=C(N=N2)C3CCCC3
Compound: 2-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[[1-oxo-2-(2-pyridinyl)ethyl]amino]ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CCNC(=O)CC2=CC=CC=N2)CO)NC(=O)C3=CC=CC=C3F
Compound: 2-chloro-N-[(2R,3R,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
SMILES: C1C[C@H]([C@@H](O[C@@H]1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)CO)NS(=O)(=O)C3=CC=CC=C3Cl
Compound: 3,5-dichloro-N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]ethyl]benzamide
SMILES: COC1=CC=C(C=C1)NC(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)C3=CC(=CC(=C3)Cl)Cl
Compound: 3-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC[C@@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3=CC(=CC=C3)F
Compound: 1-[(2S,3S,6S)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@H]1CC[C@H](O[C@@H]1CO)CCN2C=C(N=N2)C3=CC=C(C=C3)F
Compound: 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]-N-[(4-phenoxyphenyl)methyl]acetamide
SMILES: CC(C)NC(=O)N[C@H]1CC[C@@H](O[C@H]1CO)CC(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3
Compound: 2-[(2R,3S,6S)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F
Compound: 2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)OC
Compound: 1-[2-[(2R,5R,6R)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-(3,5-dimethyl-4-isoxazolyl)urea
SMILES: CC1=C(C(=NO1)C)NC(=O)NCC[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)NC3=CC(=CC=C3)Cl
Compound: N-[(2R,3R,6R)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
SMILES: CCC(=O)N[C@@H]1C=C[C@H](O[C@H]1CO)CC(=O)NCC2=CC(=CC(=C2)F)F
Compound: 4-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@@H]([C@H](O[C@H]1CCN2C=C(N=N2)C3=CC=CC=N3)CO)NC(=O)C4=CC=C(C=C4)F
Compound: [(2R,3R,6S)-3-amino-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-oxanyl]methanol
SMILES: C1C[C@H]([C@@H](O[C@@H]1CCN2C=C(N=N2)C3=CC(=CC=C3)F)CO)N
Compound: N-[(4-fluorophenyl)methyl]-2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: COC1=CC(=CC=C1)S(=O)(=O)N[C@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC=C(C=C3)F
Compound: 2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)CN3CCOCC3
Compound: 1-[2-[(2S,5R,6S)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-(3,5-dimethyl-4-isoxazolyl)urea
SMILES: CC1=C(C(=NO1)C)NC(=O)NCC[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)NC3=CC(=CC=C3)Cl
Compound: 2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-[(1S)-1-phenylethyl]acetamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]([C@H](O2)CO)NC(=O)NC3=CC=CC=C3OC
Compound: 2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)CN3CCOCC3
Compound: 2-[(2S,3S,6R)-3-benzamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
SMILES: COC(=O)C[C@@H]1C=C[C@@H]([C@H](O1)CO)NC(=O)C2=CC=CC=C2
Compound: 2-fluoro-N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzenesulfonamide
SMILES: CC1=CC(=CC=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CCNS(=O)(=O)C3=CC=CC=C3F
Compound: 2-[(2S,5S,6S)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetic acid
SMILES: C1C[C@@H]([C@H](O[C@@H]1CC(=O)O)CO)NC(=O)NC2=CC=CC=C2
Compound: 2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]acetic acid methyl ester
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CC(=O)OC
Compound: 3,5-dichloro-N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-3-(1-piperidinyl)propyl]amino]-2-oxanyl]ethyl]benzamide
SMILES: C1CCN(CC1)CCC(=O)N[C@H]2CC[C@@H](O[C@H]2CO)CCNC(=O)C3=CC(=CC(=C3)Cl)Cl
Compound: N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-4-pyridinecarboxamide
SMILES: COCC1=CN(N=N1)CC[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3=CC=NC=C3
Compound: 3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]benzamide
SMILES: C1C[C@@H]([C@H](O[C@H]1CC(=O)N2CCOCC2)CO)NC(=O)C3=CC(=CC=C3)F
Compound: N-[(4-fluorophenyl)methyl]-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: COC1=CC(=CC=C1)S(=O)(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCC3=CC=C(C=C3)F
Compound: 2-[(2R,3R,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-chlorophenyl)methyl]acetamide
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)N[C@@H]3C=C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl
Compound: 2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)CN3CCOCC3
Compound: 2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-[(1S)-1-phenylethyl]acetamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]([C@H](O2)CO)NC(=O)NC3=CC=CC=C3OC
Compound: N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3CCC3
Compound: N-[(2S,3R,6R)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide
SMILES: CN(C)CCCNC(=O)C[C@@H]1C=C[C@H]([C@H](O1)CO)NC(=O)C2=CC=CC=C2F
Compound: 2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)NC3=CC=CC=C3OC
Compound: 2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-[(1S)-1-phenylethyl]acetamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)NC3=CC=CC=C3OC
Compound: 2-[(2S,3R,6S)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F
Compound: 2-[(2R,5S,6S)-5-[[(2,5-difluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide
SMILES: C1C[C@@H]([C@H](O[C@H]1CC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)CO)NC(=O)NC4=C(C=CC(=C4)F)F
Compound: 2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]-N-[(4-phenoxyphenyl)methyl]acetamide
SMILES: CC(C)NC(=O)N[C@H]1CC[C@@H](O[C@@H]1CO)CC(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3
Compound: 2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
SMILES: C1=CC=NC(=C1)CC(=O)N[C@@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCCC3=CC=NC=C3
Compound: N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3CCC3
Compound: 2-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@@H]([C@H](O[C@H]1CCNC(=O)CN2CCOCC2)CO)NC(=O)C3=CC=CC=C3F
Compound: 3-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC[C@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3=CC(=CC=C3)F
Compound: 1-[(2R,3R,6R)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@@H]1CC[C@@H](O[C@H]1CO)CCN2C=C(N=N2)C3=CC=C(C=C3)F
Compound: 4-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CCN2C=C(N=N2)C3=CC=CC=N3)CO)NC(=O)C4=CC=C(C=C4)F
Compound: N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-4-pyridinecarboxamide
SMILES: COCC1=CN(N=N1)CC[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CC=NC=C3
Compound: 2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
SMILES: C1=CC=NC(=C1)CC(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCCC3=CC=NC=C3
Compound: N-[2-[(2S,5S,6S)-5-[[cyclobutyl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide
SMILES: C1CC(C1)C(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CCNC(=O)C3=NC=CN=C3
Compound: N-[(2S,3R,6S)-6-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyrazinecarboxamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CCNC(=O)C2=CC=CC=C2F)CO)NC(=O)C3=NC=CN=C3
Compound: 2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]-N-[(4-phenoxyphenyl)methyl]acetamide
SMILES: CC(C)NC(=O)N[C@H]1CC[C@H](O[C@H]1CO)CC(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3
Compound: 2-(dimethylamino)-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]acetamide
SMILES: CN(C)CC(=O)N[C@@H]1CC[C@@H](O[C@@H]1CO)CCN2C=C(N=N2)C3=CC(=CC=C3)OC
Compound: 1-[(2R,3S,6S)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@H]1CC[C@H](O[C@H]1CO)CCN2C=C(N=N2)C3=CC=C(C=C3)F
Compound: 1-(2-fluorophenyl)-3-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]urea
SMILES: C1CCN(CC1)C(=O)C[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)NC3=CC=CC=C3F
Compound: 1-(2-fluorophenyl)-3-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]urea
SMILES: C1CCN(CC1)C(=O)C[C@H]2CC[C@H]([C@H](O2)CO)NC(=O)NC3=CC=CC=C3F
Compound: 2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)CN3CCOCC3
Compound: 3-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NC2=NC=CS2)CO)NC(=O)C3=CC(=CC=C3)F
Compound: 2-fluoro-N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzenesulfonamide
SMILES: CC1=CC(=CC=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CCNS(=O)(=O)C3=CC=CC=C3F
Compound: 1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@H]1CC[C@H](O[C@@H]1CO)CCNS(=O)(=O)CC2=CC=CC=C2
Compound: 1-[(2S,3R,6R)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@@H]1CC[C@@H](O[C@@H]1CO)CCN2C=C(N=N2)C3=CC=C(C=C3)F
Compound: N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-phenylacetamide
SMILES: C1C[C@@H]([C@H](O[C@@H]1CC(=O)N2CCOCC2)CO)NC(=O)CC3=CC=CC=C3
Compound: 1-[2-[(2R,5S,6S)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-(3,5-dimethyl-4-isoxazolyl)urea
SMILES: CC1=C(C(=NO1)C)NC(=O)NCC[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)NC3=CC(=CC=C3)Cl
Compound: 2-[(2R,3S,6R)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-chlorophenyl)methyl]acetamide
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)N[C@H]3C=C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl
Compound: 3-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3=CC(=CC=C3)F
Compound: 2-[(2S,3R,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F
Compound: 3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxanyl]benzamide
SMILES: COC1=CC=C(C=C1)CNC(=O)C[C@@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CC(=CC=C3)F
Compound: 1-[(2S,3R,6S)-6-[2-(4-cyclopentyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea
SMILES: CCCNC(=O)N[C@@H]1CC[C@H](O[C@@H]1CO)CCN2C=C(N=N2)C3CCCC3
Compound: 2-(dimethylamino)-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]acetamide
SMILES: CN(C)CC(=O)N[C@H]1CC[C@H](O[C@H]1CO)CCN2C=C(N=N2)C3=CC(=CC=C3)OC
Compound: 3-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@@H]([C@H](O[C@@H]1CC(=O)NC2=NC=CS2)CO)NC(=O)C3=CC(=CC=C3)F
Compound: 2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]acetic acid methyl ester
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CC(=O)OC
Compound: 2-fluoro-N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzenesulfonamide
SMILES: CC1=CC(=CC=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CCNS(=O)(=O)C3=CC=CC=C3F
Compound: 2-fluoro-N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzenesulfonamide
SMILES: CC1=CC(=CC=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCNS(=O)(=O)C3=CC=CC=C3F
Compound: N-[(2S,3S,6S)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide
SMILES: CN(C)CCCNC(=O)C[C@H]1C=C[C@@H]([C@H](O1)CO)NC(=O)C2=CC=CC=C2F
Compound: 2-[(2S,3R,6S)-3-benzamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
SMILES: COC(=O)C[C@H]1C=C[C@H]([C@H](O1)CO)NC(=O)C2=CC=CC=C2
Compound: 1-[(2R,3S,6S)-6-[2-(4-cyclopentyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea
SMILES: CCCNC(=O)N[C@H]1CC[C@H](O[C@H]1CO)CCN2C=C(N=N2)C3CCCC3
Compound: 2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]([C@H](O2)CO)NC(=O)NC3=CC=CC=C3OC
Compound: 2-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[[1-oxo-2-(2-pyridinyl)ethyl]amino]ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@H]([C@@H](O[C@@H]1CCNC(=O)CC2=CC=CC=N2)CO)NC(=O)C3=CC=CC=C3F
Compound: N-[(2R,3R,6S)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
SMILES: CCC(=O)N[C@@H]1C=C[C@@H](O[C@H]1CO)CC(=O)NCC2=CC(=CC(=C2)F)F
Compound: 2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)NC3=CC=CC=C3OC
Compound: 3,5-dichloro-N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]ethyl]benzamide
SMILES: COC1=CC=C(C=C1)NC(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CCNC(=O)C3=CC(=CC(=C3)Cl)Cl
Compound: 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)CN3CCOCC3
Compound: N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-phenylacetamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CC(=O)N2CCOCC2)CO)NC(=O)CC3=CC=CC=C3
Compound: 2-(dimethylamino)-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]acetamide
SMILES: CN(C)CC(=O)N[C@@H]1CC[C@H](O[C@H]1CO)CCN2C=C(N=N2)C3=CC(=CC=C3)OC
Compound: 2-[(2S,3R,6R)-3-benzamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
SMILES: COC(=O)C[C@@H]1C=C[C@H]([C@H](O1)CO)NC(=O)C2=CC=CC=C2
Compound: 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)NC3=CC=CC=C3OC
Compound: 2-[(2S,5R,6S)-5-[[(2,5-difluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)CO)NC(=O)NC4=C(C=CC(=C4)F)F
Compound: 2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@H](O[C@@H]2CO)CC(=O)OC
Compound: 2-[(2R,5R,6R)-5-[[(2,5-difluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(4-phenylphenyl)acetamide
SMILES: C1C[C@H]([C@@H](O[C@H]1CC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)CO)NC(=O)NC4=C(C=CC(=C4)F)F
Compound: 2-fluoro-N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzenesulfonamide
SMILES: CC1=CC(=CC=C1)S(=O)(=O)N[C@H]2CC[C@@H](O[C@H]2CO)CCNS(=O)(=O)C3=CC=CC=C3F
Compound: 4-chloro-N-[(2R,3R,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
SMILES: C1C[C@H]([C@@H](O[C@@H]1CCN2C=C(N=N2)C3=CC(=CC=C3)F)CO)NS(=O)(=O)C4=CC=C(C=C4)Cl
Compound: 2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)CN3CCOCC3
Compound: 1-(2-fluorophenyl)-3-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]urea
SMILES: C1CCN(CC1)C(=O)C[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)NC3=CC=CC=C3F
Compound: 3-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxanyl]benzamide
SMILES: COC1=CC=C(C=C1)CNC(=O)C[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CC(=CC=C3)F
Compound: N-[(4-fluorophenyl)methyl]-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: COC1=CC(=CC=C1)S(=O)(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCC3=CC=C(C=C3)F
Compound: N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide
SMILES: C1CCN(CC1)CCC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4
Compound: 1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@@H]1CC[C@H](O[C@@H]1CO)CCNS(=O)(=O)CC2=CC=CC=C2
Compound: N-[(2R,3R,6R)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide
SMILES: CN(C)CCCNC(=O)C[C@@H]1C=C[C@H]([C@@H](O1)CO)NC(=O)C2=CC=CC=C2F
Compound: 3-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CC(=O)NC2=NC=CS2)CO)NC(=O)C3=CC(=CC=C3)F
Compound: 2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]-N-[(4-phenoxyphenyl)methyl]acetamide
SMILES: CC(C)NC(=O)N[C@H]1CC[C@H](O[C@@H]1CO)CC(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3
Compound: 2-[(2R,3R,6R)-3-[[(cyclopentylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-methoxyethyl)acetamide
SMILES: COCCNC(=O)C[C@@H]1C=C[C@H]([C@@H](O1)CO)NC(=O)NC2CCCC2
Compound: N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide
SMILES: C1CCN(CC1)CCC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4
Compound: 2-[(2R,3S,6S)-3-benzamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
SMILES: COC(=O)C[C@H]1C=C[C@@H]([C@@H](O1)CO)NC(=O)C2=CC=CC=C2
Compound: 2-[(2S,3S,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-chlorophenyl)methyl]acetamide
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)N[C@H]3C=C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl
Compound: 2-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[[2-(4-morpholinyl)-1-oxoethyl]amino]ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@@H]([C@@H](O[C@@H]1CCNC(=O)CN2CCOCC2)CO)NC(=O)C3=CC=CC=C3F
Compound: 2-[(2R,5R,6S)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetic acid
SMILES: C1C[C@H]([C@H](O[C@H]1CC(=O)O)CO)NC(=O)NC2=CC=CC=C2
Compound: N-[(2R,3R,6S)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide
SMILES: CN(C)CCCNC(=O)C[C@H]1C=C[C@H]([C@@H](O1)CO)NC(=O)C2=CC=CC=C2F
Compound: 4-chloro-N-[(2S,3R,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CCN2C=C(N=N2)C3=CC(=CC=C3)F)CO)NS(=O)(=O)C4=CC=C(C=C4)Cl
Compound: 3,5-dichloro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-3-(1-piperidinyl)propyl]amino]-2-oxanyl]ethyl]benzamide
SMILES: C1CCN(CC1)CCC(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)C3=CC(=CC(=C3)Cl)Cl
Compound: 2-[(2S,3S,6R)-3-[(3-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F
Compound: N-[(4-fluorophenyl)methyl]-2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: COC1=CC(=CC=C1)S(=O)(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCC3=CC=C(C=C3)F
Compound: 2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]acetic acid methyl ester
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)OC
Compound: 2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzenesulfonamide
SMILES: CC1=CC(=CC=C1)S(=O)(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CCNS(=O)(=O)C3=CC=CC=C3F
Compound: 4-chloro-N-[(2R,3R,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]benzenesulfonamide
SMILES: C1C[C@H]([C@@H](O[C@H]1CCN2C=C(N=N2)C3=CC(=CC=C3)F)CO)NS(=O)(=O)C4=CC=C(C=C4)Cl
Compound: 3,5-dichloro-N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]ethyl]benzamide
SMILES: COC1=CC=C(C=C1)NC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CCNC(=O)C3=CC(=CC(=C3)Cl)Cl