MonarchInit/C3PO huggingface dataset:
Compound: 6-[oxo-[2-[oxo-[4-(4-propan-2-ylphenyl)-1-piperazinyl]methyl]anilino]methyl]-1-cyclohex-3-enecarboxylic acid
SMILES: CC(C)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4CC=CCC4C(=O)O
Compound: 2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-(10-phenothiazinyl)ethanone
SMILES: CCN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C5=CC=CO5
Compound: N-(3-fluorophenyl)benzamide
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)F
Compound: 2-[[4-cyano-6,6,7-trimethyl-1-(4-morpholinyl)-5,8-dihydro-2,7-naphthyridin-3-yl]thio]acetic acid methyl ester
SMILES: CC1(CC2=C(C(=NC(=C2CN1C)N3CCOCC3)SCC(=O)OC)C#N)C
Compound: 1-ethyl-6-methoxy-4-oxo-3-quinolinecarboxylic acid
SMILES: CCN1C=C(C(=O)C2=C1C=CC(=C2)OC)C(=O)O
Compound: 3-methyl-7-[(4-methylphenyl)methyl]-8-[2-(1-piperidinyl)ethylthio]purine-2,6-dione
SMILES: CC1=CC=C(C=C1)CN2C3=C(N=C2SCCN4CCCCC4)N(C(=O)NC3=O)C
Compound: 4-(4-acetamidophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
SMILES: CC1=NC(=C(C(C1C(=O)OC)C2=CC=C(C=C2)NC(=O)C)C(=O)OC)C
Compound: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (5-methoxycarbonyl-2-furanyl)methyl ester
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC=C(O2)C(=O)OC
Compound: 2-[2,2-dimethyl-6-[4-morpholinyl(oxo)methyl]-3-oxo-1,4-benzoxazin-4-yl]-N-phenylacetamide
SMILES: CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)N3CCOCC3)CC(=O)NC4=CC=CC=C4)C
Compound: 3-[2-hydroxyethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CCO)CC2=CC3=C(C=CC(=C3)OC)NC2=O
Compound: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
SMILES: COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4)OC
Compound: 2-[2-[1-cyano-2-(2-furanylmethylamino)-2-oxoethylidene]-3-(4-methylphenyl)-4-oxo-5-thiazolidinylidene]acetic acid methyl ester
SMILES: CC1=CC=C(C=C1)N2C(=O)C(=CC(=O)OC)SC2=C(C#N)C(=O)NCC3=CC=CO3
Compound: N-[[[2-(2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide
SMILES: CC1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]
Compound: 2-butoxy-3-phenyl-4-quinazolinone
SMILES: CCCCOC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3
Compound: N-[1,3-dimethyl-2-oxo-5-[[oxo(propoxy)methyl]amino]-4-imidazolidinyl]carbamic acid propyl ester
SMILES: CCCOC(=O)NC1C(N(C(=O)N1C)C)NC(=O)OCCC
Compound: N-(2-benzimidazolylidenemethyl)-1,2,4-triazol-4-amine
SMILES: C1=CC2=NC(=CNN3C=NN=C3)N=C2C=C1
Compound: 1-[[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-phenylthiourea
SMILES: C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NNC(=S)NC4=CC=CC=C4
Compound: 6-amino-4-(1-cyclohex-2-enyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: C1CC=CC(C1)C2C(=C(OC3=NNC(=C23)C4=CC=CS4)N)C#N
Compound: 1-[3-[2-(3-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILES: COC1=CC(=CC=C1)OCCOC2=CC=CC(=C2)C=NN3C=NN=C3
Compound: 1-[3-(dimethylsulfamoyl)phenyl]-3-(2-furanylmethyl)thiourea
SMILES: CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NCC2=CC=CO2
Compound: N-cycloheptyl-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILES: COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCCC3)NC1=O
Compound: N-(4-bromophenyl)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]benzamide
SMILES: CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)Br)C
Compound: 3-(1,3-benzodioxol-5-yl)-4-(2,5-dimethylphenyl)-1H-1,2,4-triazole-5-thione
SMILES: CC1=CC(=C(C=C1)C)N2C(=NNC2=S)C3=CC4=C(C=C3)OCO4
Compound: 2-(2,5-dimethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
SMILES: COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(O3)C4=C(C=CC(=C4)OC)OC
Compound: N-[3-[(5-bromo-3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl]-2-furancarboxamide
SMILES: C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)NC=C3C=C(C=C(C3=O)Br)Cl
Compound: 4-phenoxy-1-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone
SMILES: C1CN(CCN1C2=CC=CC=N2)C(=O)CCCOC3=CC=CC=C3
Compound: 9,10-dimethoxy-2-(2-pyridinylmethylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
SMILES: COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NCC4=CC=CC=N4)OC
Compound: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine
SMILES: CCN1CCN(CC1)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl
Compound: 1-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-tetrazolamine
SMILES: C1=CC=C(C(=C1)C=NN2C(=NN=N2)N)OCC3=C(C=C(C=C3)Cl)Cl
Compound: (3-hydroxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione
SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC(=CC=C3)O
Compound: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-quinolinecarboxamide
SMILES: CCSC1=NN=C(S1)NC(=O)C2=NC3=CC=CC=C3C=C2
Compound: 2-(3-oxo-4H-quinoxalin-2-yl)propanoic acid ethyl ester
SMILES: CCOC(=O)C(C)C1=NC2=CC=CC=C2NC1=O
Compound: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid
SMILES: C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O
Compound: 3-(2-methoxyethyl)-2,4-dioxo-N-pentyl-1H-quinazoline-7-carboxamide
SMILES: CCCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCOC
Compound: 3-(4-fluorophenyl)sulfonyl-1-(2-furanylmethyl)-2-imino-10-methyl-5-dipyrido[3,4-c:1',2'-f]pyrimidinone
SMILES: CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CO4)S(=O)(=O)C5=CC=C(C=C5)F
Compound: 4-[(7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-ylhydrazo)methylidene]-2-methoxy-1-cyclohexa-2,5-dienone
SMILES: COC1=CC(=CNNC2=C3C4=C(CCC4)SC3=NC=N2)C=CC1=O
Compound: 3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
SMILES: CN1C(=O)C2=C(N=N1)SC3=C2CCCC3
Compound: N-docosanoyl-14-methylhexadecasphingosine-1-phosphocholine
SMILES: O(P(OCC[N+](C)(C)C)(=O)[O-])C[C@@H]([C@@H](/C=C/CCCCCCCCC(CC)C)O)NC(CCCCCCCCCCCCCCCCCCCCC)=O
Compound: 3-[(4-methylphenyl)hydrazinylidene]-2-piperidinone
SMILES: CC1=CC=C(C=C1)NN=C2CCCNC2=O
Compound: (5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine
SMILES: C1CCC(CC1)CCCCN2[C@H](CN=C2N)C3=CC=CC=C3
Compound: 2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetic acid (4-acetamidophenyl) ester
SMILES: CC(=O)NC1=CC=C(C=C1)OC(=O)CSC2=NC(=NS2)SC
Compound: 8-(2,5-dimethylphenoxy)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
SMILES: CC1=CC(=C(C=C1)C)OC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C
Compound: 5-[(3-methylanilino)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
SMILES: CC1=CC(=CC=C1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3C
Compound: 4-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3
Compound: 2-(1,3-benzodioxol-5-ylamino)-N'-[(2-methyl-3-indolylidene)methyl]acetohydrazide
SMILES: CC1=NC2=CC=CC=C2C1=CNNC(=O)CNC3=CC4=C(C=C3)OCO4
Compound: 2-(4-chlorophenyl)-3-(2-furanylmethyl)imidazo[4,5-b]quinoxaline
SMILES: C1=CC=C2C(=C1)N=C3C(=N2)N(C(=N3)C4=CC=C(C=C4)Cl)CC5=CC=CO5
Compound: 7-methyl-3-(4-morpholinyl)-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILES: CN1CCC2=C(C(=NC(=C2C1)NCC=C)N3CCOCC3)C#N
Compound: 3-[(2,6-dichlorophenyl)methylthio]-4-methyl-5-thiophen-2-yl-1,2,4-triazole
SMILES: CN1C(=NN=C1SCC2=C(C=CC=C2Cl)Cl)C3=CC=CS3
Compound: N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILES: COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)OC)OC)Cl
Compound: 5,5-diphenyl-2-[2-(phenylmethylene)hydrazinyl]-4-thiazolone
SMILES: C1=CC=C(C=C1)C=NNC2=NC(=O)C(S2)(C3=CC=CC=C3)C4=CC=CC=C4
Compound: [3-amino-6-(4-methoxyphenyl)-2-thieno[2,3-b]pyridinyl]-(3,4-dimethoxyphenyl)methanone
SMILES: COC1=CC=C(C=C1)C2=NC3=C(C=C2)C(=C(S3)C(=O)C4=CC(=C(C=C4)OC)OC)N
Compound: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[5-[(4-methoxyphenyl)sulfonylmethyl]-2-furanyl]methanone
SMILES: CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=C(C=C4)OC)C
Compound: 1-azepanyl-[2-methoxy-4-(methylthio)phenyl]methanone
SMILES: COC1=C(C=CC(=C1)SC)C(=O)N2CCCCCC2
Compound: N-(5-benzoyl-4-phenyl-2-thiazolyl)carbamic acid methyl ester
SMILES: COC(=O)NC1=NC(=C(S1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
Compound: 3,4-dihydro-2H-quinolin-1-yl-(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanone
SMILES: COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)N4CCCC5=CC=CC=C54
Compound: N'-methyl-N-[1-methyl-5-(4-methylphenyl)-2-imidazolyl]-N'-(phenylmethyl)butanediamide
SMILES: CC1=CC=C(C=C1)C2=CN=C(N2C)NC(=O)CCC(=O)N(C)CC3=CC=CC=C3
Compound: 2-[[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
SMILES: COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC4=CC=CC=C4C(=O)O3
Compound: 6-ethyl-2-[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILES: CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4
Compound: 4-oxo-3-pyrimido[2,1-b][1,3]benzoxazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CN=C2N(C1=O)C3=CC=CC=C3O2
Compound: 1-[(2-methyl-1H-indol-3-yl)-(2-pyridinyl)methyl]-4-piperidinecarboxamide
SMILES: CC1=C(C2=CC=CC=C2N1)C(C3=CC=CC=N3)N4CCC(CC4)C(=O)N
Compound: 2-(2,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
SMILES: CC1=CC(=C(C=C1)O)NC(=O)COC2=C(C=CC(=C2)C)C
Compound: 1-[[2-(4-chlorophenyl)-1-oxoethyl]amino]-3-(1-naphthalenyl)urea
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)NNC(=O)CC3=CC=C(C=C3)Cl
Compound: 2,3-dichloro-4-methoxy-N-(3-methoxypropyl)benzenesulfonamide
SMILES: COCCCNS(=O)(=O)C1=C(C(=C(C=C1)OC)Cl)Cl
Compound: 2-[[5-(1-benzotriazolylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-[(4-fluorophenyl)methyl]-N-phenylacetamide
SMILES: C1=CC=C(C=C1)N(CC2=CC=C(C=C2)F)C(=O)CSC3=NN=C(O3)CN4C5=CC=CC=C5N=N4
Compound: N,N-dimethylcarbamic acid [[1-amino-2-(4-tert-butylphenoxy)ethylidene]amino] ester
SMILES: CC(C)(C)C1=CC=C(C=C1)OCC(=NOC(=O)N(C)C)N
Compound: 1-(thiophen-2-ylmethyl)-3-thiophen-2-ylsulfonyl-2-pyrrolo[3,2-b]quinoxalinamine
SMILES: C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CC4=CC=CS4)N)S(=O)(=O)C5=CC=CS5
Compound: 2-pyridinecarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester
SMILES: C1=CC=NC(=C1)C(=O)OCC(=O)C2=CC=C(S2)Cl
Compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide
SMILES: CC1=NN=C(S1)NC(=O)CSC2=NC=CN2CC3=CC=CC=C3
Compound: 5-(dimethylamino)-2-phenyl-4-oxazolecarbonitrile
SMILES: CN(C)C1=C(N=C(O1)C2=CC=CC=C2)C#N
Compound: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid [2-(cyclooctylamino)-2-oxoethyl] ester
SMILES: C1CCCC(CCC1)NC(=O)COC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32
Compound: 2-(1-benzimidazolylmethyl)-5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazole
SMILES: C1=CC=C2C(=C1)N=CN2CC3=NN=C(O3)SCC4=CC=C(C=C4)Cl
Compound: 2-[4-(2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]acetic acid
SMILES: CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C=C5)OCC(=O)O)OC)C(=O)C1)C
Compound: 5-nitro-6-(3-nitrophenyl)-2-piperidinone
SMILES: C1CC(=O)NC(C1[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-]
Compound: 4-[[4-(dimethylamino)-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl]amino]butanoic acid
SMILES: CC1(CC(=C2C(=NC3=C(N=CN=C3S2)N(C)C)C1)NCCCC(=O)O)C
Compound: 4-chloro-N-(1,2-dimethyl-5-benzimidazolyl)benzamide
SMILES: CC1=NC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl
Compound: 5-(3,5-dimethyl-6-oxo-1-cyclohexa-2,4-dienylidene)-N-[(4-methylphenyl)methyl]-1,2-dihydropyrazole-3-carboxamide
SMILES: CC1=CC=C(C=C1)CNC(=O)C2=CC(=C3C=C(C=C(C3=O)C)C)NN2
Compound: 3-(2-furanyl)-2-propenoic acid [2-[methyl-(phenylmethyl)amino]-2-oxoethyl] ester
SMILES: CN(CC1=CC=CC=C1)C(=O)COC(=O)C=CC2=CC=CO2
Compound: N-[4-chloro-2-[(2-ethoxyanilino)-oxomethyl]phenyl]-2-furancarboxamide
SMILES: CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CO3
Compound: 3-[2-(2-furanylmethylamino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)-2-naphthalenecarboxamide
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=CC=CC=C3C=C2OCC(=O)NCC4=CC=CO4
Compound: 2-(4-methylcyclohexylidene)-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]acetonitrile
SMILES: CC1CC/C(=C(/C#N)\C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)/CC1
Compound: 4-amino-1,2,5-oxadiazole-3-carboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester
SMILES: CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=NON=C2N
Compound: 5-(4-butoxyphenyl)-1-(furan-2-ylmethyl)-4-(5-methylfuran-2-carbonyl)pyrrolidine-2,3-dione
SMILES: CCCCOC1=CC=C(C=C1)C2C(C(=O)C(=O)N2CC3=CC=CO3)C(=O)C4=CC=C(O4)C
Compound: N-(4-hydroxyphenyl)-4-[5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanamide
SMILES: COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)O
Compound: LSM-34844
SMILES: CC1(CC2=NC3=C(C(C2C(=O)C1)C4=CC(=C(C=C4)OC)OC)C(=O)NC(=O)N3CC5=CC=CC=C5)C
Compound: 5-(diethylsulfamoyl)-2-hydroxybenzoic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F
Compound: 1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinecarboxylic acid
SMILES: CC1=CC(=NC(=N1)N2CCC(CC2)C(=O)O)C
Compound: 1-(1-adamantyl)-3-(3,4-dimethoxyphenyl)thiourea
SMILES: COC1=C(C=C(C=C1)NC(=S)NC23CC4CC(C2)CC(C4)C3)OC
Compound: 2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-1-cyclohexanecarboxylic acid
SMILES: C1CCC(C(C1)C(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)O
Compound: 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl ester
SMILES: CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)OC)C(=O)OCC3=CC=C(C=C3)OC
Compound: 2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)OCO3
Compound: N-(2-furanylmethyl)-5-methyl-4-phenyl-3-thiophenecarboxamide
SMILES: CC1=C(C(=CS1)C(=O)NCC2=CC=CO2)C3=CC=CC=C3
Compound: 8-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione
SMILES: CC1=CC=CC=C1CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCN(CC4)C(=O)C5=CC=CO5
Compound: 3-chloro-N-(pyridin-4-ylmethylideneamino)aniline
SMILES: C1=CC(=CC(=C1)Cl)NN=CC2=CC=NC=C2
Compound: 1-[[(4-ethyl-5-methyl-3-thiophenyl)-oxomethyl]amino]-3-(2-phenylethyl)thiourea
SMILES: CCC1=C(SC=C1C(=O)NNC(=S)NCCC2=CC=CC=C2)C
Compound: N-[[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-sulfanylidenemethyl]-2-furancarboxamide
SMILES: C1=COC(=C1)C(=O)NC(=S)NC2=C(C=CC3=NSN=C32)Cl
Compound: 4-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-3-oxobutanoic acid propan-2-yl ester
SMILES: CC1=CC(=NC(=C1C#N)SCC(=O)CC(=O)OC(C)C)C
Compound: 2-ethoxy-N-(2-hydroxyphenyl)benzamide
SMILES: CCOC1=CC=CC=C1C(=O)NC2=CC=CC=C2O
Compound: 4-amino-2-(phenacylthio)-5-pyrimidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC=CC=C2
Compound: 2-methyl-N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]pentanamide
SMILES: CCCC(C)C(=O)NC1=NC=C(S1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Compound: 2-[5-[(2-methoxyphenyl)methylidene]-3-[2-(4-morpholinyl)-2-oxoethyl]-4-oxo-2-thiazolidinylidene]acetic acid ethyl ester
SMILES: CCOC(=O)C=C1N(C(=O)C(=CC2=CC=CC=C2OC)S1)CC(=O)N3CCOCC3
Compound: N-(2-furanylmethyl)-1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine
SMILES: C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)NCC4=CC=CO4
Compound: 4-methyl-N-[(4-methylphenyl)methyl]-2-furo[3,2-c]quinolinecarboxamide
SMILES: CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(O2)C4=CC=CC=C4N=C3C
Compound: 8-[1-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1-piperazinyl)propyl]-5,7-dimethoxy-4-methyl-1-benzopyran-2-one
SMILES: CC1=CC(=O)OC2=C1C(=CC(=C2C(CCN3CCN(CC3)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)OC)OC
Compound: N-[[5-(4-nitrophenyl)-2-furanyl]methylideneamino]-2-phenylacetamide
SMILES: C1=CC=C(C=C1)CC(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
Compound: 4-[[(4-methoxyanilino)-oxomethyl]amino]benzoic acid methyl ester
SMILES: COC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)OC
Compound: N-butan-2-yl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-thiadiazolecarboxamide
SMILES: CCC(C)N(CC(=O)NCC1=CC=C(C=C1)OC)C(=O)C2=CSN=N2
Compound: 5-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-4-oxazolecarbonitrile
SMILES: COC1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CC=CC=C3Cl)C#N
Compound: N-[2-[2,4-dioxo-5-(3-pyridinylmethylidene)-3-thiazolidinyl]ethyl]-4-methylsulfonyl-3-nitrobenzamide
SMILES: CS(=O)(=O)C1=C(C=C(C=C1)C(=O)NCCN2C(=O)C(=CC3=CN=CC=C3)SC2=O)[N+](=O)[O-]
Compound: 2-thiophenecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC=CS3
Compound: 3-[[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid
SMILES: C1=CC=C(C=C1)CC2=NN=C(O2)SCC3=CC=CC(=C3)C(=O)O
Compound: 1-[(4-fluoro-1-naphthalenyl)sulfonyl]piperidine
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=C(C3=CC=CC=C32)F
Compound: 1-(2,4-difluorophenyl)-2-methyl-N-[2-(4-morpholinyl)ethyl]-5-benzimidazolecarboxamide
SMILES: CC1=NC2=C(N1C3=C(C=C(C=C3)F)F)C=CC(=C2)C(=O)NCCN4CCOCC4
Compound: N-methyl-2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
SMILES: CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N(C)C4CCN(CC4)C
Compound: 3-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)hydrazo]-2-indolone
SMILES: CCC1=CC2=C(N=CN=C2S1)NNC3=C4C=CC=CC4=NC3=O
Compound: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(thiophen-2-ylmethyl)-4-piperidinecarboxamide
SMILES: COC1=NC(=NC(=N1)N2CCC(CC2)C(=O)NCC3=CC=CS3)OC
Compound: 4-chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester
SMILES: CC1=C(N=C(S1)C2=CC=NC=C2)OC(=O)C3=CC=C(C=C3)Cl
Compound: N-[1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]benzenesulfonamide
SMILES: CC(C)CN1C2=NC3=CC=CC=C3C=C2C(=N1)NS(=O)(=O)C4=CC=CC=C4
Compound: 4-ethyl-5-hydroxy-7-methyl-6-(1-piperidinylmethyl)-1-benzopyran-2-one
SMILES: CCC1=CC(=O)OC2=C1C(=C(C(=C2)C)CN3CCCCC3)O
Compound: 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-N-[(2-fluorophenyl)methylideneamino]acetamide
SMILES: CC1=CC(=NC2=NC(=NN12)SCC(=O)NN=CC3=CC=CC=C3F)C
Compound: 2-[(4-methyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]acetic acid ethyl ester
SMILES: CCOC(=O)CSC1=NN(C(=S)S1)C
Compound: N-[2-(1-cyclohexenyl)ethyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILES: C1CCC(=CC1)CCNC(=O)CCN2C3=CC=CC=C3SC2=O
Compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone
SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=C4N3C=CC=C4
Compound: 2-[(4-chlorophenyl)thio]-1-methyl-3-indolecarboxaldehyde
SMILES: CN1C2=CC=CC=C2C(=C1SC3=CC=C(C=C3)Cl)C=O
Compound: 2-anilino-N-(4-methylphenyl)-2-phenylacetamide
SMILES: CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)NC3=CC=CC=C3
Compound: 4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide
SMILES: CC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCCN3C(=CC(=N3)[N+](=O)[O-])C
Compound: 1-(4-chlorophenyl)-6-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILES: C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC(=O)C4=CNN(C4=N3)C5=CC=C(C=C5)Cl
Compound: 4-[3-[(2-anilino-4-oxo-5-thiazolylidene)methyl]-2,5-dimethyl-1-pyrrolyl]benzenesulfonamide
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C=C3C(=O)N=C(S3)NC4=CC=CC=C4
Compound: 7-(trifluoromethyl)-1H-quinolin-4-one
SMILES: C1=CC2=C(C=C1C(F)(F)F)NC=CC2=O
Compound: 2-[(1R,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide
SMILES: C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4)CO)CC(=O)NCC5=CC=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-cyclohexylacetamide
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)NC5CCCCC5
Compound: 2-[(1S,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide
SMILES: C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4)CO)CC(=O)NCC5=CC=CC=C5
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-cyclohexylacetamide
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)NC5CCCCC5
Compound: 2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(2-pyridinylmethyl)acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCC3=CC=CC=N3
Compound: N-ethyl-2-[(2R,3R,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: CCNC(=O)C[C@@H]1C=C[C@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)F
Compound: 2-[(2S,3S,6S)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N,N-dimethylacetamide
SMILES: CN(C)C(=O)C[C@H]1C=C[C@@H]([C@H](O1)CO)NS(=O)(=O)C2=CC=CC=C2
Compound: 2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo(pyridin-4-yl)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
SMILES: C1=C[C@H]([C@@H](O[C@@H]1CC(=O)O)CO)NC(=O)C2=CC=NC=C2
Compound: N-[(3-fluorophenyl)methyl]-2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: C1COCCN1CC(=O)N[C@@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCC3=CC(=CC=C3)F
Compound: N-ethyl-2-[(2R,3R,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: CCNC(=O)C[C@H]1C=C[C@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)F
Compound: 2-(dimethylamino)-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]acetamide
SMILES: CC(C)NC(=O)NCC[C@@H]1CC[C@H]([C@H](O1)CO)NC(=O)CN(C)C
Compound: 1-(1,3-benzodioxol-5-yl)-3-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]urea
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)C[C@@H]3C=C[C@H]([C@@H](O3)CO)NC(=O)NC4=CC5=C(C=C4)OCO5
Compound: N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
SMILES: CC(C)NC(=O)N[C@H]1CC[C@H](O[C@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2
Compound: N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-oxanyl]-1-methyl-4-imidazolesulfonamide
SMILES: CN1C=C(N=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CC(=O)N3CCN(CC3)C4=CC=CC=C4
Compound: N-[(3-fluorophenyl)methyl]-2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: C1COCCN1CC(=O)N[C@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCC3=CC(=CC=C3)F
Compound: 2-[(2S,5S,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-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=CC4=C(C=C3)OCO4
Compound: 2-[(2R,5R,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-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=CC4=C(C=C3)OCO4
Compound: 1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@@H]1C=C[C@@H](O[C@H]1CO)CC(=O)N2CCCCC2
Compound: 1-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@@H]1CC[C@@H](O[C@H]1CO)CC(=O)N2CCCCC2
Compound: N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
SMILES: CC(C)NC(=O)N[C@H]1CC[C@H](O[C@@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2
Compound: 1-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-fluorophenyl)urea
SMILES: C1C[C@H]([C@@H](O[C@H]1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)CO)NC(=O)NC3=CC=CC=C3F
Compound: N-[(2S,3R,6R)-6-[2-[(2-fluorophenyl)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=C2F
Compound: 2-[(2S,5R,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-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=CC4=C(C=C3)OCO4
Compound: 1-(4-chlorophenyl)-3-[(2R,3S,6R)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
SMILES: C1CCC(C1)(C2=CN(N=N2)CC[C@H]3CC[C@@H]([C@@H](O3)CO)NC(=O)NC4=CC=C(C=C4)Cl)O
Compound: 4-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]benzamide
SMILES: CC(C)NC(=O)NCC[C@@H]1CC[C@H]([C@@H](O1)CO)NC(=O)C2=CC=C(C=C2)F
Compound: 1-(1,3-benzodioxol-5-yl)-3-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]urea
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)C[C@H]3C=C[C@@H]([C@H](O3)CO)NC(=O)NC4=CC5=C(C=C4)OCO5
Compound: 2-[(2R,5S,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-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=CC4=C(C=C3)OCO4
Compound: 2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(2-pyridinylmethyl)acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC=CC=N3
Compound: 2-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@@H]([C@@H](O[C@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NC(=O)C3=CC=CC=C3F
Compound: 2-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@H]([C@@H](O[C@@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NC(=O)C3=CC=CC=C3F
Compound: 2-[(2R,5R,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-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=CC4=C(C=C3)OCO4
Compound: 1-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@H]1CC[C@@H](O[C@H]1CO)CC(=O)N2CCCCC2
Compound: 2-[(2R,5S,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-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=CC4=C(C=C3)OCO4
Compound: 1-(3,5-dichlorophenyl)-3-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]urea
SMILES: CC(C)C1=CN(N=N1)CC[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)NC3=CC(=CC(=C3)Cl)Cl
Compound: N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]-2-pyrazinecarboxamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC[C@@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=NC=CN=C3
Compound: N-[(2R,3R,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-(1-piperidinyl)propanamide
SMILES: C1CCN(CC1)CCC(=O)N[C@@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl
Compound: 1-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@H]1C=C[C@@H](O[C@H]1CO)CC(=O)N2CCCCC2
Compound: 2-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@H]([C@H](O[C@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NC(=O)C3=CC=CC=C3F
Compound: N-[(2S,3S,6R)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
SMILES: C1CCC(CC1)CNC(=O)C[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=CC=NC=C3
Compound: 1-(4-chlorophenyl)-3-[(2R,3R,6S)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
SMILES: C1CCC(C1)(C2=CN(N=N2)CC[C@@H]3CC[C@H]([C@@H](O3)CO)NC(=O)NC4=CC=C(C=C4)Cl)O
Compound: N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-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=C(C=C2)OC
Compound: 1-(1,3-benzodioxol-5-yl)-3-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]urea
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)C[C@H]3C=C[C@H]([C@@H](O3)CO)NC(=O)NC4=CC5=C(C=C4)OCO5
Compound: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S,5S,6R)-5-[[(2,5-difluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetamide
SMILES: C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NCC2=CC3=C(C=C2)OCO3)CO)NC(=O)NC4=C(C=CC(=C4)F)F
Compound: N-[(3-fluorophenyl)methyl]-2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: C1COCCN1CC(=O)N[C@@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC(=CC=C3)F
Compound: N-[(2S,3S,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide
SMILES: CCNC(=O)C[C@H]1CC[C@@H]([C@H](O1)CO)NC(=O)C2CC2
Compound: 1-[(2R,3R,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-fluorophenyl)urea
SMILES: C1C[C@H]([C@@H](O[C@@H]1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)CO)NC(=O)NC3=CC=CC=C3F
Compound: N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-oxanyl]-1-methyl-4-imidazolesulfonamide
SMILES: CN1C=C(N=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)N3CCN(CC3)C4=CC=CC=C4
Compound: N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]-2-pyrazinecarboxamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3=NC=CN=C3
Compound: N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]-2-pyrazinecarboxamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=NC=CN=C3
Compound: 1-(1,3-benzodioxol-5-yl)-3-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]urea
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)C[C@@H]3C=C[C@H]([C@H](O3)CO)NC(=O)NC4=CC5=C(C=C4)OCO5
Compound: N-[(2S,3R,6S)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide
SMILES: CCC(=O)N[C@@H]1CC[C@H](O[C@@H]1CO)CC(=O)NCC2=CC(=CC(=C2)F)F
Compound: 2-[(2R,3R,6R)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N,N-dimethylacetamide
SMILES: CN(C)C(=O)C[C@@H]1C=C[C@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=CC=C2
Compound: 2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(2-pyridinylmethyl)acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCC3=CC=CC=N3
Compound: 2-methoxy-6-(all-trans-octaprenyl)phenol
SMILES: OC1=C(C\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)/C)/C)/C)/C)/C)C=CC=C1OC
Compound: beta-D-fructofuranose 2-phosphate
SMILES: OC[C@H]1O[C@@](CO)(OP(O)(O)=O)[C@@H](O)[C@@H]1O
Compound: 2-[(2R,3S,6S)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N,N-dimethylacetamide
SMILES: CN(C)C(=O)C[C@H]1C=C[C@@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=CC=C2
Compound: N-[(2R,3S,6R)-6-[2-[(2-fluorophenyl)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=C2F
Compound: N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-4-oxanecarboxamide
SMILES: COC1=CC=CC=C1C2=CN(N=N2)CC[C@H]3CC[C@H]([C@H](O3)CO)NC(=O)C4CCOCC4
Compound: N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
SMILES: CC(C)NC(=O)N[C@@H]1CC[C@H](O[C@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2
Compound: N-[(2R,3R,6S)-6-[2-[(2-fluorophenyl)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=C2F
Compound: 1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@H]1C=C[C@H](O[C@@H]1CO)CC(=O)N2CCCCC2
Compound: N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
SMILES: CC(C)NC(=O)N[C@H]1CC[C@@H](O[C@@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2
Compound: N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-4-oxanecarboxamide
SMILES: COC1=CC=CC=C1C2=CN(N=N2)CC[C@@H]3CC[C@H]([C@H](O3)CO)NC(=O)C4CCOCC4
Compound: N-[(2S,3R,6S)-6-[2-[(3-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CCNS(=O)(=O)C2=CC=CC(=C2)F)CO)NC(=O)CC3=CC=CC=N3
Compound: N-[(3-fluorophenyl)methyl]-2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: C1COCCN1CC(=O)N[C@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC(=CC=C3)F
Compound: N-ethyl-2-[(2S,3S,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: CCNC(=O)C[C@@H]1C=C[C@@H]([C@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)F
Compound: N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
SMILES: CC(C)NC(=O)N[C@@H]1CC[C@@H](O[C@@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2
Compound: N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-oxanyl]-1-methyl-4-imidazolesulfonamide
SMILES: CN1C=C(N=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@H]2CO)CC(=O)N3CCN(CC3)C4=CC=CC=C4
Compound: 1-(4-chlorophenyl)-3-[(2S,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
SMILES: C1CCC(C1)(C2=CN(N=N2)CC[C@H]3CC[C@H]([C@H](O3)CO)NC(=O)NC4=CC=C(C=C4)Cl)O
Compound: N-[(3-fluorophenyl)methyl]-2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: C1COCCN1CC(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCC3=CC(=CC=C3)F
Compound: 1-(4-chlorophenyl)-3-[(2S,3R,6S)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
SMILES: C1CCC(C1)(C2=CN(N=N2)CC[C@@H]3CC[C@H]([C@H](O3)CO)NC(=O)NC4=CC=C(C=C4)Cl)O
Compound: 1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@H]1CC[C@H](O[C@@H]1CO)CC(=O)N2CCCCC2
Compound: N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]-2-pyrazinecarboxamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC[C@@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=NC=CN=C3
Compound: 1-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-fluorophenyl)urea
SMILES: C1C[C@@H]([C@H](O[C@H]1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)CO)NC(=O)NC3=CC=CC=C3F
Compound: 2-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@@H]([C@@H](O[C@@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NC(=O)C3=CC=CC=C3F
Compound: 2-[(2R,5S,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-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=CC4=C(C=C3)OCO4
Compound: 1-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@@H]1C=C[C@H](O[C@@H]1CO)CC(=O)N2CCCCC2
Compound: 1-(4-chlorophenyl)-3-[(2R,3S,6S)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
SMILES: C1CCC(C1)(C2=CN(N=N2)CC[C@@H]3CC[C@@H]([C@@H](O3)CO)NC(=O)NC4=CC=C(C=C4)Cl)O
Compound: N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-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=C(C=C2)OC
Compound: 4-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]benzamide
SMILES: CC(C)NC(=O)NCC[C@H]1CC[C@@H]([C@H](O1)CO)NC(=O)C2=CC=C(C=C2)F
Compound: N-[(2S,3R,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
SMILES: C1CCC(CC1)CNC(=O)C[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3=CC=NC=C3
Compound: 1-(3,5-dichlorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]urea
SMILES: CC(C)C1=CN(N=N1)CC[C@@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)NC3=CC(=CC(=C3)Cl)Cl
Compound: 1-[(2S,3S,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-fluorophenyl)urea
SMILES: C1C[C@@H]([C@H](O[C@@H]1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)CO)NC(=O)NC3=CC=CC=C3F
Compound: 2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(2-pyridinylmethyl)acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)N[C@H]2CC[C@H](O[C@H]2CO)CC(=O)NCC3=CC=CC=N3
Compound: 1-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@H]1C=C[C@H](O[C@H]1CO)CC(=O)N2CCCCC2
Compound: 2-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@@H]([C@H](O[C@@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NC(=O)C3=CC=CC=C3F
Compound: 1-(3,5-dichlorophenyl)-3-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]urea
SMILES: CC(C)C1=CN(N=N1)CC[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)NC3=CC(=CC(=C3)Cl)Cl
Compound: N-[(2S,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide
SMILES: CCNC(=O)C[C@H]1CC[C@H]([C@H](O1)CO)NC(=O)C2CC2
Compound: 1-(1,3-benzodioxol-5-yl)-3-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]urea
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)C[C@@H]3C=C[C@@H]([C@H](O3)CO)NC(=O)NC4=CC5=C(C=C4)OCO5
Compound: N-[(2R,3S,6S)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide
SMILES: CCNC(=O)C[C@@H]1CC[C@@H]([C@@H](O1)CO)NC(=O)C2CC2
Compound: N-[(2S,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-(1-piperidinyl)propanamide
SMILES: C1CCN(CC1)CCC(=O)N[C@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl
Compound: N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-oxanyl]-1-methyl-4-imidazolesulfonamide
SMILES: CN1C=C(N=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)N3CCN(CC3)C4=CC=CC=C4
Compound: 2-[(2S,5S,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-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=CC4=C(C=C3)OCO4
Compound: N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-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=C(C=C2)OC
Compound: 1-(2,5-difluorophenyl)-3-[(2R,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]urea
SMILES: C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C=C[C@H]([C@@H](O3)CO)NC(=O)NC4=C(C=CC(=C4)F)F
Compound: 2-[(2R,5S,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-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=CC4=C(C=C3)OCO4
Compound: N-[(2R,3R,6S)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide
SMILES: CCNC(=O)C[C@@H]1CC[C@H]([C@@H](O1)CO)NC(=O)C2CC2
Compound: 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(2-pyridinylmethyl)acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)N[C@H]2CC[C@@H](O[C@H]2CO)CC(=O)NCC3=CC=CC=N3
Compound: N-[(2R,3R,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-(1-piperidinyl)propanamide
SMILES: C1CCN(CC1)CCC(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl
Compound: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,5S,6R)-5-[[(2,5-difluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetamide
SMILES: C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCC2=CC3=C(C=C2)OCO3)CO)NC(=O)NC4=C(C=CC(=C4)F)F
Compound: 2-[(2S,3R,6S)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N,N-dimethylacetamide
SMILES: CN(C)C(=O)C[C@H]1C=C[C@H]([C@H](O1)CO)NS(=O)(=O)C2=CC=CC=C2
Compound: N-[(2S,3R,6R)-6-[2-[(3-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide
SMILES: C1C[C@H]([C@H](O[C@H]1CCNS(=O)(=O)C2=CC=CC(=C2)F)CO)NC(=O)CC3=CC=CC=N3
Compound: 1-[(2S,3S,6S)-6-[2-[(3-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea
SMILES: CCCNC(=O)N[C@H]1CC[C@H](O[C@@H]1CO)CCNS(=O)(=O)C2=CC=CC(=C2)F
Compound: 2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(2-pyridinylmethyl)acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)NCC3=CC=CC=N3
Compound: 1-[(2R,3S,6R)-6-[2-[(3-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea
SMILES: CCCNC(=O)N[C@H]1CC[C@@H](O[C@H]1CO)CCNS(=O)(=O)C2=CC=CC(=C2)F
Compound: 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[oxo(pyridin-4-yl)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
SMILES: C1=C[C@@H]([C@H](O[C@@H]1CC(=O)O)CO)NC(=O)C2=CC=NC=C2
Compound: N-[(3-fluorophenyl)methyl]-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: C1COCCN1CC(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCC3=CC(=CC=C3)F
Compound: N-[(2S,3S,6S)-6-[2-[(2-fluorophenyl)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=C2F
Compound: N-[(3,4-dichlorophenyl)methyl]-2-[(2S,5R,6S)-5-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetamide
SMILES: CC1=C(C(=NO1)C)NC(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl
Compound: N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-oxanyl]-1-methyl-4-imidazolesulfonamide
SMILES: CN1C=C(N=C1)S(=O)(=O)N[C@H]2CC[C@@H](O[C@H]2CO)CC(=O)N3CCN(CC3)C4=CC=CC=C4
Compound: N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
SMILES: CC(C)NC(=O)N[C@@H]1CC[C@@H](O[C@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2
Compound: N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-oxanyl]-1-methyl-4-imidazolesulfonamide
SMILES: CN1C=C(N=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CC(=O)N3CCN(CC3)C4=CC=CC=C4
Compound: N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-4-oxanecarboxamide
SMILES: COC1=CC=CC=C1C2=CN(N=N2)CC[C@H]3CC[C@@H]([C@@H](O3)CO)NC(=O)C4CCOCC4
Compound: N-[(2R,3S,6R)-6-[2-[(3-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(2-pyridinyl)acetamide
SMILES: C1C[C@@H]([C@@H](O[C@H]1CCNS(=O)(=O)C2=CC=CC(=C2)F)CO)NC(=O)CC3=CC=CC=N3
Compound: N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-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=C(C=C2)OC
Compound: 1-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@H]1CC[C@H](O[C@H]1CO)CC(=O)N2CCCCC2
Compound: N-[(2R,3S,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-(1-piperidinyl)propanamide
SMILES: C1CCN(CC1)CCC(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl
Compound: 2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[(3-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(4-pyrimidinylmethyl)acetamide
SMILES: COC1=CC=CC(=C1)NC(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCC3=NC=NC=C3
Compound: 2-[(2S,5R,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-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=CC4=C(C=C3)OCO4
Compound: 1-[(2R,3S,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-fluorophenyl)urea
SMILES: C1C[C@@H]([C@@H](O[C@@H]1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)CO)NC(=O)NC3=CC=CC=C3F
Compound: 2-[(2S,5R,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-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=CC4=C(C=C3)OCO4
Compound: N-[(2S,3R,6S)-6-[2-[(2-fluorophenyl)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=C2F
Compound: 1-(4-chlorophenyl)-3-[(2S,3S,6S)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
SMILES: C1CCC(C1)(C2=CN(N=N2)CC[C@@H]3CC[C@@H]([C@H](O3)CO)NC(=O)NC4=CC=C(C=C4)Cl)O
Compound: N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-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=C(C=C2)OC
Compound: N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]-2-pyrazinecarboxamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=NC=CN=C3
Compound: N-[(2S,3S,6S)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide
SMILES: CCNC(=O)C[C@@H]1CC[C@@H]([C@H](O1)CO)NC(=O)C2CC2
Compound: 1-[(2R,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-fluorophenyl)urea
SMILES: C1C[C@@H]([C@@H](O[C@H]1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)CO)NC(=O)NC3=CC=CC=C3F
Compound: 2-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@H]([C@@H](O[C@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NC(=O)C3=CC=CC=C3F
Compound: 1-(3,5-dichlorophenyl)-3-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]urea
SMILES: CC(C)C1=CN(N=N1)CC[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)NC3=CC(=CC(=C3)Cl)Cl
Compound: 1-(1,3-benzodioxol-5-yl)-3-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]urea
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)C[C@@H]3C=C[C@@H]([C@@H](O3)CO)NC(=O)NC4=CC5=C(C=C4)OCO5
Compound: 2-[(2S,5R,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[3-(4-morpholinyl)propyl]acetamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CC(=O)NCCCN2CCOCC2)CO)NS(=O)(=O)C3=CC=CC=C3F
Compound: 1-[(2R,3R,6S)-6-[2-[(3-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea
SMILES: CCCNC(=O)N[C@@H]1CC[C@H](O[C@H]1CO)CCNS(=O)(=O)C2=CC=CC(=C2)F
Compound: 1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@@H]1C=C[C@@H](O[C@@H]1CO)CC(=O)N2CCCCC2
Compound: 2-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NC(=O)C3=CC=CC=C3F
Compound: N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]-2-pyrazinecarboxamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC[C@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3=NC=CN=C3
Compound: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,5R,6S)-5-[[(2,5-difluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetamide
SMILES: C1C[C@H]([C@H](O[C@H]1CC(=O)NCC2=CC3=C(C=C2)OCO3)CO)NC(=O)NC4=C(C=CC(=C4)F)F
Compound: N-[(3-fluorophenyl)methyl]-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: C1COCCN1CC(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCC3=CC(=CC=C3)F
Compound: N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-4-oxanecarboxamide
SMILES: COC1=CC=CC=C1C2=CN(N=N2)CC[C@@H]3CC[C@@H]([C@H](O3)CO)NC(=O)C4CCOCC4
Compound: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S,5R,6S)-5-[[(2,5-difluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CC(=O)NCC2=CC3=C(C=C2)OCO3)CO)NC(=O)NC4=C(C=CC(=C4)F)F
Compound: 1-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@@H]1C=C[C@H](O[C@H]1CO)CC(=O)N2CCCCC2
Compound: 1-(3,5-dichlorophenyl)-3-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]urea
SMILES: CC(C)C1=CN(N=N1)CC[C@H]2CC[C@H]([C@H](O2)CO)NC(=O)NC3=CC(=CC(=C3)Cl)Cl
Compound: N-ethyl-2-[(2S,3S,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: CCNC(=O)C[C@H]1C=C[C@@H]([C@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)F
Compound: N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-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=C(C=C2)OC
Compound: 2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[oxo(pyridin-4-yl)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
SMILES: C1=C[C@H]([C@@H](O[C@H]1CC(=O)O)CO)NC(=O)C2=CC=NC=C2
Compound: N-[(2R,3R,6R)-6-[2-[(2-fluorophenyl)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=C2F
Compound: 2-[(2R,3R,6S)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N,N-dimethylacetamide
SMILES: CN(C)C(=O)C[C@H]1C=C[C@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=CC=C2
Compound: 2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[(3-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(4-pyrimidinylmethyl)acetamide
SMILES: COC1=CC=CC(=C1)NC(=O)N[C@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCC3=NC=NC=C3
Compound: 1-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@@H]1CC[C@@H](O[C@@H]1CO)CC(=O)N2CCCCC2
Compound: N-[(2R,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-(1-piperidinyl)propanamide
SMILES: C1CCN(CC1)CCC(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl
Compound: N-[(2S,3S,6R)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-(1-piperidinyl)propanamide
SMILES: C1CCN(CC1)CCC(=O)N[C@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl
Compound: 1-[(2S,3R,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-fluorophenyl)urea
SMILES: C1C[C@H]([C@H](O[C@H]1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)CO)NC(=O)NC3=CC=CC=C3F
Compound: 1-(4-chlorophenyl)-3-[(2S,3S,6R)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
SMILES: C1CCC(C1)(C2=CN(N=N2)CC[C@H]3CC[C@@H]([C@H](O3)CO)NC(=O)NC4=CC=C(C=C4)Cl)O