MonarchInit/C3PO huggingface dataset:
Compound: Pyridin-3-yl thiophene-2-carboxylate
SMILES: C1=CSC(=C1)C(=O)OC2=CC=CN=C2
Compound: 5-Bromopyridin-3-yl furan-2-carboxylate
SMILES: C1=COC(=C1)C(=O)OC2=CN=CC(=C2)Br
Compound: 5-Chloropyridin-3-yl thiazole-4-carboxylate
SMILES: C=1(C=C(C=NC1)Cl)OC(C2=CSC=N2)=O
Compound: 5-Methoxyisatin
SMILES: C1(=CC=C2NC(C(C2=C1)=O)=O)OC
Compound: 5-Chloropyridin-3-yl 3-methoxybenzoate
SMILES: C=1(C=C(C=NC1)Cl)OC(C2=CC=CC(=C2)OC)=O
Compound: 5-Chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-carboxylate
SMILES: C=1(C=C(Cl)C=NC1)OC(C2=CC=C(O2)C3=CC=C(C=C3)Cl)=O
Compound: 5-Chloro-3-pyridinyl 2-furoate
SMILES: C1=COC(=C1)C(=O)OC2=CN=CC(=C2)Cl
Compound: 5-Chloropyridin-3-yl benzo[b]thiophene-2-carboxylate
SMILES: C=1(C=C(C=NC1)Cl)OC(=O)C2=CC3=C(S2)C=CC=C3
Compound: 5-Chloropyridin-3-yl 1H-indole-2-carboxylate
SMILES: C=1(C=C(C=NC1)Cl)OC(=O)C2=CC3=C(N2)C=CC=C3
Compound: 2-(2-Chloro-6-fluoro-phenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]thiazolidin-4-one
SMILES: C=1(C(C2SCC(=O)N2C3=NC(=CC(=N3)C(F)(F)F)C)=C(C=CC1)Cl)F
Compound: 2-(2,6-Dichlorophenyl)-3-(4-methyl-6-phenyl-pyrimidin-2-yl)thiazolidin-4-one
SMILES: C1(=CC=CC(Cl)=C1C2SCC(N2C3=NC(=CC(=N3)C4=CC=CC=C4)C)=O)Cl
Compound: 4-Bromoisatin
SMILES: C1=CC=C2NC(C(C2=C1Br)=O)=O
Compound: Dihydrotanshinone I
SMILES: C=1C=C2C(=C3C(C(C4=C(C31)OC[C@@H]4C)=O)=O)C=CC=C2C
Compound: 2-(2,6-Dichlorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)thiazolidin-4-one
SMILES: C=1(Cl)C(=C(C=CC1)Cl)C2SCC(N2C=3N=C(C=C(C4=CC=CC=C4)N3)C5=CC=CC=C5)=O
Compound: 2-(2,6-Difluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)thiazolidin-4-one
SMILES: C=1(F)C(=C(C=CC1)F)C2SCC(N2C=3N=C(C=C(C4=CC=CC=C4)N3)C5=CC=CC=C5)=O
Compound: Benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-4-amino-1-cyano-4-oxobutyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
SMILES: N([C@H](C(N[C@H](C(N[C@H](C(N[C@H](C#N)CCC(=O)N)=O)CC(C)C)=O)C(C)C)=O)C)C(=O)OCC1=CC=CC=C1
Compound: Methyl 2-[3-[(7-chloro-4-quinolyl)amino]propylamino]-4-methyl-6-phenyl-pyrimidine-5-carboxylate
SMILES: C1=C(C=C2C(=C1)C(=CC=N2)NCCCNC3=NC(=C(C(=N3)C4=CC=CC=C4)C(OC)=O)C)Cl
Compound: Ethyl 2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-4-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylate
SMILES: C1=C(C=C2C(=C1)C(=CC=N2)NCCCCNC3=NC(=C(C(=N3)C)C(=O)OCC)C4=C(C=CC=C4)[N+](=O)[O-])Cl
Compound: [(2S,4As,10aR)-6-acetyloxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthren-2-yl] acetate
SMILES: C1[C@@H](C(C)([C@]2([H])C=CC3=C([C@@]2(C)C1)C=C(OC(=O)C)C(C(C)C)=C3)C)OC(C)=O
Compound: CHEMBL242491
SMILES: C1CC([C@@]2(C=CC=3C(C(=C(C(C3[C@@]2(C)C1)=O)O)C(C)C)=O)[H])(C)C
Compound: (4Bs,8aS,10aR)-10a-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-one
SMILES: C1CC(C)(C)[C@@]2(CC[C@]3(C=C(C(C=C3[C@@]2(C)C1)=O)C(C)C)O)[H]
Compound: Benzyl N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate
SMILES: C(N[C@H](C(N[C@H](C=O)C[C@@]1(CCNC1=O)[H])=O)CC(C)C)([C@@H](NC(OCC2=CC=CC=C2)=O)CC3=C4C(=CC=C3)C=CC=C4)=O
Compound: Benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(propan-2-ylamino)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate
SMILES: C(N[C@H](C(N[C@H](C(=O)C(NC(C)C)=O)C[C@@]1(CCNC1=O)[H])=O)CC(C)C)([C@@H](NC(OCC2=CC=CC=C2)=O)CC3=C4C(=CC=C3)C=CC=C4)=O
Compound: 2-(2,6-Difluorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)thiazolidin-4-one
SMILES: C=1(SC(=NN1)CC)N2C(CSC2C3=C(F)C=CC=C3F)=O
Compound: Ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
SMILES: C(N[C@H](C(N[C@H](\C=C\C(=O)OCC)C[C@H]1C(NCC1)=O)=O)CC2=CC=CC=C2)([C@@H](NC(=O)OCC3=CC=CC=C3)C(C)C)=O
Compound: 1-Methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylindole-2,3-dione
SMILES: S(=O)(=O)(C1=CC=C2C(=C1)C(C(N2C)=O)=O)N3CCN(CC3)C4=CC=CC=N4
Compound: 1-Methyl-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione
SMILES: S(=O)(=O)(C1=CC=C2C(=C1)C(C(N2C)=O)=O)N3CCC(CC3)C
Compound: 1-Benzyl-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione
SMILES: S(=O)(=O)(C1=CC=C2C(=C1)C(C(N2CC3=CC=CC=C3)=O)=O)N4CCC(CC4)C
Compound: 5-(3,5-Dimethylpiperidin-1-yl)sulfonyl-1-methylindole-2,3-dione
SMILES: S(=O)(=O)(C1=CC=C2C(=C1)C(C(N2C)=O)=O)N3CC(CC(C3)C)C
Compound: 1-Benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonylindole-2,3-dione
SMILES: S(=O)(=O)(C1=CC=C2C(=C1)C(C(N2CC3=CC=CC=C3)=O)=O)N4CC(CC(C4)C)C
Compound: 1H-Indole-2,3-dione, 5-acetyl-
SMILES: C1(=CC=C2C(=C1)C(C(N2)=O)=O)C(=O)C
Compound: Cyclopent[f]indole-2,3-dione, 1,5,6,7-tetrahydro-
SMILES: C=1C2=C(C=C3C1NC(C3=O)=O)CCC2
Compound: 5-(4-Methylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione
SMILES: S(=O)(=O)(C1=CC=C2C(=C1)C(C(N2)=O)=O)N3CCN(CC3)C
Compound: Piperidine, 1-[(2,3-dihydro-2,3-dioxo-1H-indol-5-yl)sulfonyl]-4-methyl-
SMILES: S(=O)(=O)(C1=CC=C2C(=C1)C(C(N2)=O)=O)N3CCC(CC3)C
Compound: 5-(2-Methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione
SMILES: S(=O)(=O)(C1=CC=C2C(=C1)C(C(N2)=O)=O)N3C(CCCC3)C
Compound: 5-(3,5-Dimethylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione
SMILES: S(=O)(=O)(C1=CC=C2C(=C1)C(C(N2)=O)=O)N3CC(CC(C3)C)C
Compound: (2,5-Dichlorothiophen-3-yl)methyl N-(pyridin-3-ylmethyl)carbamodithioate
SMILES: C(NCC=1C=NC=CC1)(SCC2=C(SC(=C2)Cl)Cl)=S
Compound: 8-(Trifluoromethyl)-9H-purin-6-amine
SMILES: C=1(C2=C(N=CN1)NC(=N2)C(F)(F)F)N
Compound: [(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-2-oxo-6-pyridin-2-ylpyridin-1-yl]oxan-2-yl]methyl acetate
SMILES: C(C1=C(C=C(N(C1=O)[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O2)COC(C)=O)C=3C=CC=CN3)C=4C=CC(=CC4)Cl)#N
Compound: 2-(1H-1,2,3-Benzotriazol-1-yl)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide
SMILES: O(C1=C(OC)C=C(C=C1OC)/C=N\NC(=O)CN2N=NC=3C2=CC=CC3)C
Compound: N-[(3-Acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
SMILES: C1=CC=C2C(=C1)C(=CC=C2)[C@H](N3CCC(CC3)C(NCC4=CC=CC(=C4)NC(C)=O)=O)C
Compound: N-[(3-Fluorophenyl)methyl]-1-[(1r)-1-Naphthalen-1-Ylethyl]piperidine-4-Carboxamide
SMILES: C1=CC=C2C(=C1)C(=CC=C2)[C@H](N3CCC(CC3)C(NCC4=CC=CC(=C4)F)=O)C
Compound: N-[(2-Methoxypyridin-4-yl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
SMILES: C1=CC=C2C(=C1)C(=CC=C2)[C@H](N3CCC(CC3)C(NCC4=CC=NC(=C4)OC)=O)C
Compound: 5-Iodoisatin
SMILES: C1(=CC=C2NC(C(C2=C1)=O)=O)I
Compound: 5-Chloro-1H-indole-2,3-dione
SMILES: C1(NC2=CC=C(C=C2C1=O)Cl)=O
Compound: 1-(2-Naphthylmethyl)-2,3-dioxo-indoline-5-carboxamide
SMILES: N1(C(C(=O)C2=C1C=CC(C(=O)N)=C2)=O)CC=3C=C4C=CC=CC4=CC3
Compound: Tanshinone I
SMILES: C=1C=C2C(=C3C(C(C4=C(C31)OC=C4C)=O)=O)C=CC=C2C
Compound: 1-Benzo[b]thiophen-2-ylmethyl-7-bromo-1H-indole-2,3-dione
SMILES: N1(C(C(=O)C=2C1=C(Br)C=CC2)=O)CC=3SC=4C=CC=CC4C3
Compound: 2-(2,6-Dichlorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]thiazolidin-4-one
SMILES: C=1(C(C2SCC(=O)N2C3=NC(=CC(=N3)C(F)(F)F)C)=C(C=CC1)Cl)Cl
Compound: 2-(2-Chloro-6-fluoro-phenyl)-3-(4,6-diphenylpyrimidin-2-yl)thiazolidin-4-one
SMILES: C=1(F)C(=C(C=CC1)Cl)C2SCC(N2C=3N=C(C=C(C4=CC=CC=C4)N3)C5=CC=CC=C5)=O
Compound: 2-[5-[(Z)-[1-(4-Tert-butylphenyl)-5-oxo-3-phenylpyrazol-4-ylidene]methyl]furan-2-yl]-4-chlorobenzoic acid
SMILES: C1=CC(=CC(=C1C(=O)O)C=2OC(=CC2)/C=C/3\C(N(N=C3C4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C)=O)Cl
Compound: 3-[(4Z)-5-Oxo-3-phenyl-4-[(4-phenylphenyl)methylidene]pyrazol-1-yl]benzoic acid
SMILES: C/1(\C(N(N=C1C2=CC=CC=C2)C3=CC=CC(=C3)C(O)=O)=O)=C\C4=CC=C(C=C4)C5=CC=CC=C5
Compound: 4-Chloro-2-[5-[(Z)-[5-oxo-3-phenyl-1-(4-propan-2-ylphenyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid
SMILES: C1=CC(=CC(=C1C(=O)O)C=2OC(=CC2)/C=C/3\C(N(N=C3C4=CC=CC=C4)C5=CC=C(C=C5)C(C)C)=O)Cl
Compound: 2-[5-[(Z)-[1-(4-Tert-butylphenyl)-5-oxo-3-phenylpyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid
SMILES: C1=CC=CC(=C1C(=O)O)C=2OC(=CC2)/C=C/3\C(N(N=C3C4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C)=O
Compound: 3-[(4Z)-5-Oxo-3-phenyl-4-[(5-phenylfuran-2-yl)methylidene]pyrazol-1-yl]benzoic acid
SMILES: C1=CC=CC(=C1)C=2OC(=CC2)/C=C/3\C(N(N=C3C4=CC=CC=C4)C5=CC=CC(=C5)C(O)=O)=O
Compound: Benzyl N-[(2S)-1-[[6-(dimethylamino)-1-fluoro-2,6-dioxohexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILES: C=1C=CC(COC(N[C@H](C(NC(C(=O)CF)CCC(N(C)C)=O)=O)C(C)C)=O)=CC1
Compound: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-Acetamido-4-amino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoic acid
SMILES: N([C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CCC(=O)N)=O)CO)=O)[C@H](O)C)=O)CO)=O)CC(=O)N)C(=O)C
Compound: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-Acetamido-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoic acid
SMILES: N([C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CCC(=O)N)=O)CC(C)C)=O)[C@H](O)C)=O)CO)=O)CCC(=O)O)C(C)=O
Compound: 5-Iodo-1-(naphthalen-2-ylmethyl)indoline-2,3-dione
SMILES: C1(I)=CC=C2N(CC3=CC=C4C(=C3)C=CC=C4)C(C(=O)C2=C1)=O
Compound: 2-(2-Chloro-6-fluoro-phenyl)-3-(4-methyl-6-phenyl-pyrimidin-2-yl)thiazolidin-4-one
SMILES: C1(=CC=CC(Cl)=C1C2SCC(N2C3=NC(=CC(=N3)C4=CC=CC=C4)C)=O)F
Compound: 2-(2,6-Dichlorophenyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thiazolidin-4-one
SMILES: C=1(Cl)C(C2SCC(N2C=3N=C(C=C(N3)C4=CC=CC=C4)C(F)(F)F)=O)=C(C=CC1)Cl
Compound: (4Bs,8aS,10S)-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-4,10-diol
SMILES: C1C[C@@]2(C3=C(C=C(C(=C3O)OC)C(C)C)[C@H](C[C@@]2([H])C(C)(C)C1)O)C
Compound: (1S,2R,5R,6R,7R,8R)-6-(Hydroxymethyl)-2,6,8-trimethyltricyclo[5.3.1.01,5]undecan-8-ol
SMILES: C1C[C@H]([C@@]23[C@@]1([C@@]([C@@](C2)([C@](CC3)(C)O)[H])(C)CO)[H])C
Compound: 2-[(2R,3R,4R,5S,6R)-3-Acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-phosphonooxypropanoic acid
SMILES: OP(=O)(O[C@@H]1[C@@H]([C@@H](OC(C)(C(O)=O)OP(=O)(O)O)[C@H](O)[C@H](O1)CO)NC(C)=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C(=O)NC(C=C3)=O)O)O
Compound: Tert-butyl 4-benzyl-4-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]piperidine-1-carboxylate
SMILES: N1(CCC(CC1)(OC(N[C@H](C(N[C@H](C=O)C[C@H]2C(NCC2)=O)=O)CC(C)C)=O)CC=3C=CC=CC3)C(=O)OC(C)(C)C
Compound: Sodium;(2S)-2-[[(2S)-2-[[4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxycarbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate
SMILES: [Na+].O=S(=O)(C([C@H](C[C@H]1C(NCC1)=O)NC([C@H](CC(C)C)NC(=O)OC2(CCN(CC2)C(=O)OC(C)(C)C)CC=3C=CC=CC3)=O)O)[O-]
Compound: Sodium;(2S)-2-[[(2S)-2-[(1-ethoxycarbonylpiperidin-4-yl)oxycarbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate
SMILES: [Na+].O=S(=O)(C([C@H](C[C@H]1C(NCC1)=O)NC([C@H](CC(C)C)NC(=O)OC2CCN(CC2)C(=O)OCC)=O)O)[O-]
Compound: Sodium;(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate
SMILES: [Na+].O=S(=O)(C([C@H](C[C@H]1C(NCC1)=O)NC([C@H](CC(C)C)NC(=O)OC2CCN(CC2)C(=O)OC(C)(C)C)=O)O)[O-]
Compound: Sodium;(2S)-2-[[(2S)-2-[(4-benzyl-1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate
SMILES: [Na+].O=S(=O)(C([C@H](C[C@H]1C(NCC1)=O)NC([C@H](CC(C)C)NC(=O)OC2(CCN(CC2)S(C)(=O)=O)CC=3C=CC=CC3)=O)O)[O-]
Compound: (1-Methylsulfonylpiperidin-4-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
SMILES: N1(CCC(CC1)OC(N[C@H](C(N[C@H](C=O)C[C@H]2C(NCC2)=O)=O)CC(C)C)=O)S(C)(=O)=O
Compound: Tert-butyl 4-ethyl-4-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]piperidine-1-carboxylate
SMILES: N1(CCC(CC1)(OC(N[C@H](C(N[C@H](C=O)C[C@H]2C(NCC2)=O)=O)CC(C)C)=O)CC)C(=O)OC(C)(C)C
Compound: Sodium;(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-[(1-methylsulfonylpiperidin-4-yl)oxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate
SMILES: [Na+].O=S(=O)(C([C@H](C[C@H]1C(NCC1)=O)NC([C@H](CC(C)C)NC(=O)OC2CCN(CC2)S(C)(=O)=O)=O)O)[O-]
Compound: Tert-butyl 4-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]piperidine-1-carboxylate
SMILES: N1(CCC(CC1)OC(N[C@H](C(N[C@H](C=O)C[C@H]2C(NCC2)=O)=O)CC(C)C)=O)C(=O)OC(C)(C)C
Compound: (4-Benzyl-1-methylsulfonylpiperidin-4-yl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
SMILES: N1(CCC(CC1)(OC(N[C@H](C(N[C@H](C=O)C[C@H]2C(NCC2)=O)=O)CC(C)C)=O)CC=3C=CC=CC3)S(C)(=O)=O
Compound: Benzyl (2S)-2-[[[(E)-4-(5-chloro-2,4-dioxopyrimidin-1-yl)but-2-enyl]-phenoxyphosphoryl]amino]propanoate
SMILES: C1(=CN(C(NC1=O)=O)C/C=C/CP(N[C@H](C(OCC2=CC=CC=C2)=O)C)(=O)OC3=CC=CC=C3)Cl
Compound: Sodium;(2S)-2-[[(2S)-2-[[4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxycarbonylamino]-4-methylpentanoyl]amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonate
SMILES: [Na+].O=S(=O)(C([C@H](C[C@H]1C(NCC1)=O)NC([C@H](CC(C)C)NC(=O)OC2(CCN(CC2)C(=O)OC(C)(C)C)CC)=O)O)[O-]
Compound: Ethyl 4-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]piperidine-1-carboxylate
SMILES: N1(CCC(CC1)OC(N[C@H](C(N[C@H](C=O)C[C@H]2C(NCC2)=O)=O)CC(C)C)=O)C(=O)OCC
Compound: 5-Chloropyridin-3-yl benzofuran-2-carboxylate
SMILES: C=1(C=C(C=NC1)Cl)OC(=O)C2=CC3=C(O2)C=CC=C3
Compound: N-(3-Methyl-4-nitro-1,2-oxazol-5-yl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILES: N=1OC(=C(C1C)[N+](=O)[O-])NC(C=2SC(=CC2)C3=CC(=NN3C)C(F)(F)F)=O
Compound: (1R,2R,19R,22R,34S,37R,40R,52R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(benzenesulfonamido)-5,15-dichloro-26,31,38,44,47,49,64-heptahydroxy-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
SMILES: ClC1=CC2=CC=C1OC=3C(O)=C4C=C([C@@](NC([C@@]5([H])NC(=O)[C@](CC=6C=C(Cl)C(O4)=CC6)([H])NC(=O)[C@H](NS(=O)(=O)C=7C=CC=CC7)C=8C=C(C(=CC8)O)OC=9C=C5C=C(C9)O)=O)(C(N[C@]%10([H])C%11=CC=C(O)C(=C%11)C%12=C(C=C(C=C%12O)O)[C@H](C(=O)O)NC(=O)[C@@]([H])([C@]2([H])O[C@@H]%13O[C@H](CO)[C@H]([C@@H]([C@H]%13NC(=O)C)O)O)NC%10=O)O)[H])C3
Compound: 1-[2-(4-Methoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILES: COC1=CC=C(C=C1)CCN2N=NC=3CN(CCC32)C4=CC=C(C=C4)C(F)(F)F
Compound: (1R,2R,19R,34S,37R,40R,52R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-[4-[2-[2-[2-[2-[3,4-bis(butylsulfanyl)-2,5-dioxopyrrol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-5,15-dichloro-26,31,38,44,47,49,64-heptahydroxy-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
SMILES: C=1C(=CC=2[C@H](C(=O)O)NC(=O)[C@]3([C@](C4=CC=C(OC=5C(O)=C6OC=7C(Cl)=CC(C[C@]8([H])C(=O)N[C@@](C(N[C@](C(N[C@@]([H])(C(N3)=O)C=9C=C(C(=CC9)O)C2C1O)O)([H])C(=C6)C5)=O)([H])C%10=CC(=CC(=C%10)O)OC%11=CC(=CC=C%11O)C(N%12C=C(COCCOCCOCCOCCN%13C(=O)C(SCCCC)=C(SCCCC)C%13=O)N=N%12)C(=O)N8)=CC7)C(Cl)=C4)([H])O[C@@H]%14O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%14NC(=O)C)[H])O
Compound: (1R,2R,19R,34S,37R,40R,52R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-[4-[[3,4-bis(butylsulfanyl)-2,5-dioxopyrrol-1-yl]methyl]triazol-1-yl]-5,15-dichloro-26,31,38,44,47,49,64-heptahydroxy-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
SMILES: OC=1C2=CC(=CC1)[C@@]3(C(=O)N[C@](C(N[C@H](C=4C=C(C=C(C42)O)O)C(O)=O)=O)([H])[C@@](O[C@H]5[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)O5)([H])C=6C=C(Cl)C(=CC6)OC7=CC8=CC(=C7O)OC9=CC=C(C=C9Cl)C[C@]%10(NC(C(C%11=CC=C(O)C(OC%12=CC(O)=CC([C@@](NC%10=O)([H])C(=O)N[C@@]8([H])C(O)N3)=C%12)=C%11)N%13N=NC(CN%14C(=O)C(SCCCC)=C(SCCCC)C%14=O)=C%13)=O)[H])[H]
Compound: (1R,2R,19R,22R,34S,37R,40R,52R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-[3,4-bis(hexylsulfanyl)-2,5-dioxopyrrol-1-yl]-5,15-dichloro-26,31,38,44,47,49,64-heptahydroxy-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
SMILES: [H][C@@]12NC(O)[C@]3([H])NC(=O)[C@@]4([H])NC(=O)[C@](CC=5C=C(Cl)C(OC6=C(O)C(=CC3=C6)OC7=CC=C(C=C7Cl)[C@@]([H])(O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8NC(=O)C)[C@]([H])(C(=O)N[C@@H](C(=O)O)C9=C(C%10=CC1=CC=C%10O)C(O)=CC(=C9)O)NC2=O)=CC5)([H])NC(=O)[C@H](N%11C(=O)C(SCCCCCC)=C(SCCCCCC)C%11=O)C=%12C=C(C(=CC%12)O)OC=%13C=C4C=C(C%13)O
Compound: Ethyl 1-[(3,4-dichlorophenyl)methyl]-7-[(4-fluorophenyl)methyl]-5-phenyl-4,6-dihydrotriazolo[4,5-c]pyridine-7-carboxylate
SMILES: C(OC(C1(CC=2C=CC(F)=CC2)CN(C=3C=CC=CC3)CC=4N=NN(CC=5C=CC(Cl)=C(Cl)C5)C14)=O)C
Compound: (1R,2R,19R,22R,34S,37R,40R,52R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-[3,4-bis(butylsulfanyl)-2,5-dioxopyrrol-1-yl]-5,15-dichloro-26,31,38,44,47,49,64-heptahydroxy-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
SMILES: [H][C@@]12NC(O)[C@]3([H])NC(=O)[C@@]4([H])NC(=O)[C@](CC=5C=C(Cl)C(OC6=C(O)C(=CC3=C6)OC7=CC=C(C=C7Cl)[C@@]([H])(O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8NC(=O)C)[C@]([H])(C(=O)N[C@@H](C(=O)O)C9=C(C%10=CC1=CC=C%10O)C(O)=CC(=C9)O)NC2=O)=CC5)([H])NC(=O)[C@H](N%11C(=O)C(SCCCC)=C(SCCCC)C%11=O)C=%12C=C(C(=CC%12)O)OC=%13C=C4C=C(C%13)O
Compound: (1R,2R,19R,22R,34S,37R,40R,52R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,15-dichloro-26,31,38,44,47,49,64-heptahydroxy-22-[(4-methylphenyl)sulfonylamino]-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
SMILES: ClC1=CC2=CC=C1OC=3C(O)=C4C=C([C@@](NC([C@@]5([H])NC(=O)[C@](CC=6C=C(Cl)C(O4)=CC6)([H])NC(=O)[C@@H](C=7C=C(C(=CC7)O)OC=8C=C5C=C(C8)O)NS(C=9C=CC(=CC9)C)(=O)=O)=O)(C(N[C@]%10([H])C%11=CC=C(O)C(=C%11)C%12=C(C=C(C=C%12O)O)[C@H](C(=O)O)NC(=O)[C@@]([H])([C@]2([H])O[C@@H]%13O[C@H](CO)[C@H]([C@@H]([C@H]%13NC(=O)C)O)O)NC%10=O)O)[H])C3
Compound: Ethyl 7-benzyl-1-[2-(1H-indol-2-yl)ethyl]-5-phenyl-4,6-dihydrotriazolo[4,5-c]pyridine-7-carboxylate
SMILES: C(OC(C1(CC=2C=CC=CC2)CN(C=3C=CC=CC3)CC=4N=NN(CCC5=CC=6C=CC=CC6N5)C14)=O)C
Compound: (1R,2R,19R,22R,34S,37R,40R,52R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,15-dichloro-22-(dodecylsulfonylamino)-26,31,38,44,47,49,64-heptahydroxy-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
SMILES: ClC1=CC2=CC=C1OC=3C(O)=C4C=C([C@@](NC([C@@]5([H])NC(=O)[C@](CC=6C=C(Cl)C(O4)=CC6)([H])NC(=O)[C@H](NS(=O)(=O)CCCCCCCCCCCC)C=7C=C(C(=CC7)O)OC=8C=C5C=C(C8)O)=O)(C(N[C@]9([H])C%10=CC=C(O)C(=C%10)C%11=C(C=C(C=C%11O)O)[C@H](C(=O)O)NC(=O)[C@@]([H])([C@]2([H])O[C@@H]%12O[C@H](CO)[C@H]([C@@H]([C@H]%12NC(=O)C)O)O)NC9=O)O)[H])C3
Compound: (1R,2R,19R,22R,34S,37R,40R,52R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,15-dichloro-26,31,38,44,47,49,64-heptahydroxy-22-(octylsulfonylamino)-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
SMILES: ClC1=CC2=CC=C1OC=3C(O)=C4C=C([C@@](NC([C@@]5([H])NC(=O)[C@](CC=6C=C(Cl)C(O4)=CC6)([H])NC(=O)[C@H](NS(=O)(=O)CCCCCCCC)C=7C=C(C(=CC7)O)OC=8C=C5C=C(C8)O)=O)(C(N[C@]9([H])C%10=CC=C(O)C(=C%10)C%11=C(C=C(C=C%11O)O)[C@H](C(=O)O)NC(=O)[C@@]([H])([C@]2([H])O[C@@H]%12O[C@H](CO)[C@H]([C@@H]([C@H]%12NC(=O)C)O)O)NC9=O)O)[H])C3
Compound: (1R,2R,19R,34S,37R,40R,52R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-[4-[2-[2-[2-[2-[3,4-bis(hexylsulfanyl)-2,5-dioxopyrrol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-5,15-dichloro-26,31,38,44,47,49,64-heptahydroxy-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
SMILES: C=1C(=CC=2[C@H](C(=O)O)NC(=O)[C@]3([C@](C4=CC=C(OC=5C(O)=C6OC=7C(Cl)=CC(C[C@]8([H])C(=O)N[C@@](C(N[C@](C(N[C@@]([H])(C(N3)=O)C=9C=C(C(=CC9)O)C2C1O)O)([H])C(=C6)C5)=O)([H])C%10=CC(=CC(=C%10)O)OC%11=CC(=CC=C%11O)C(N%12C=C(COCCOCCOCCOCCN%13C(=O)C(SCCCCCC)=C(SCCCCCC)C%13=O)N=N%12)C(=O)N8)=CC7)C(Cl)=C4)([H])O[C@@H]%14O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%14NC(=O)C)[H])O
Compound: (1R,2R,19R,34S,37R,40R,52R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-[4-[[3,4-bis(hexylsulfanyl)-2,5-dioxopyrrol-1-yl]methyl]triazol-1-yl]-5,15-dichloro-26,31,38,44,47,49,64-heptahydroxy-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
SMILES: OC=1C2=CC(=CC1)[C@@]3(C(=O)N[C@](C(N[C@H](C=4C=C(C=C(C42)O)O)C(O)=O)=O)([H])[C@@](O[C@H]5[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)O5)([H])C=6C=C(Cl)C(=CC6)OC7=CC8=CC(=C7O)OC9=CC=C(C=C9Cl)C[C@]%10(NC(C(C%11=CC=C(O)C(OC%12=CC(O)=CC([C@@](NC%10=O)([H])C(=O)N[C@@]8([H])C(O)N3)=C%12)=C%11)N%13N=NC(CN%14C(=O)C(SCCCCCC)=C(SCCCCCC)C%14=O)=C%13)=O)[H])[H]
Compound: Ethyl 7-benzyl-1-[(4-fluorophenyl)methyl]-5-phenyl-4,6-dihydrotriazolo[4,5-c]pyridine-7-carboxylate
SMILES: C(OC(C1(CC=2C=CC=CC2)CN(C=3C=CC=CC3)CC=4N=NN(CC=5C=CC(F)=CC5)C14)=O)C
Compound: (1R,2R,19R,22R,34S,37R,40R,52R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,15-dichloro-26,31,38,44,47,49,64-heptahydroxy-22-[4-[2-[2-[2-[2-[4-(octoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
SMILES: O[C@H]1[C@@H]([C@H]([C@H](O[C@]2([C@]3([H])C(N[C@H](C4=C(C=5C(O)=CC=C([C@]([H])(C(=O)N3)NC(O)[C@@]6(NC(=O)[C@@]7([H])NC(=O)[C@](CC=8C=C(Cl)C(OC9=C(O)C(=CC6=C9)OC=%10C(Cl)=CC2=CC%10)=CC8)([H])NC(=O)[C@H](N%11N=NC(COCCOCCOCCOCCN%12C=C(COCCCCCCCC)N=N%12)=C%11)C=%13C=C(C(=CC%13)O)OC=%14C=C7C=C(C%14)O)[H])C5)C(O)=CC(O)=C4)C(=O)O)=O)[H])O[C@@H]1CO)NC(=O)C)O
Compound: (1R,2R,19R,22R,34S,37R,40R,52R)-2-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,15-dichloro-22-(hexylsulfonylamino)-26,31,38,44,47,49,64-heptahydroxy-21,35,54,56,59-pentaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
SMILES: ClC1=CC2=CC=C1OC=3C(O)=C4C=C([C@@](NC([C@@]5([H])NC(=O)[C@](CC=6C=C(Cl)C(O4)=CC6)([H])NC(=O)[C@H](NS(=O)(=O)CCCCCC)C=7C=C(C(=CC7)O)OC=8C=C5C=C(C8)O)=O)(C(N[C@]9([H])C%10=CC=C(O)C(=C%10)C%11=C(C=C(C=C%11O)O)[C@H](C(=O)O)NC(=O)[C@@]([H])([C@]2([H])O[C@@H]%12O[C@H](CO)[C@H]([C@@H]([C@H]%12NC(=O)C)O)O)NC9=O)O)[H])C3
Compound: Betulonic acid
SMILES: O=C(O)[C@]12[C@@]([C@@]3([C@]([C@]4([C@@]([C@@]5([C@](C(C(=O)CC5)(C)C)(CC4)[H])C)(CC3)[H])C)(CC1)C)[H])([C@@H](CC2)C(=C)C)[H]
Compound: Pinusolidic acid
SMILES: C1C[C@]([C@@]2(CCC(=C)[C@@H]([C@@]2(C)C1)CCC3=CCOC3=O)[H])(C)C(=O)O
Compound: 3-Pyridin-2-yl-2-(4-quinolin-4-ylphenyl)-1,3-thiazolidin-4-one
SMILES: C1=CC(=CC=C1C2SCC(N2C3=NC=CC=C3)=O)C4=C5C(=NC=C4)C=CC=C5
Compound: 2-(4-Dimethylaminophenyl)-3-(2-pyridyl)thiazolidin-4-one
SMILES: C=1C(=CC=C(N(C)C)C1)C2N(C(CS2)=O)C3=NC=CC=C3
Compound: (2Z)-3-Ethyl-2-[[(3Z)-3-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5-methylcyclohexen-1-yl]methylidene]-1,3-benzothiazole
SMILES: C=1C=C2SC(=[N+](C2=CC1)CC)/C=C/3\CC(C)CC(=C3)/C=C/C=C/4\N(C5=C(S4)C=CC=C5)CC
Compound: 3-Ethyl-2-[(E)-2-[(E)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]benzo[g][1,3]benzothiazol-3-ium
SMILES: C1(/C=C(/C=C\2/SC3=C(C=C(C(=C3)C)C)N2CC)\CC)=[N+](CC)C=4C=CC=5C(=CC=CC5)C4S1
Compound: 8-Benzyl-4-pyridin-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILES: C12(SCC(N1C3=NC=CC=C3)=O)CCN(CC2)CC4=CC=CC=C4
Compound: 2-(2-Chloro-6-fluoro-phenyl)-3-(2-quinolyl)thiazolidin-4-one
SMILES: C=1(C(=C(Cl)C=CC1)C2SCC(=O)N2C3=NC=4C(C=C3)=CC=CC4)F
Compound: 2-(2,6-Dibromophenyl)-3-(4-methyl-6-trifluoromethylpyrimidin-2-yl)thiazolidin-4-one
SMILES: C=1(C(C2SCC(=O)N2C3=NC(=CC(=N3)C(F)(F)F)C)=C(C=CC1)Br)Br
Compound: 2-(2,6-Dichlorophenyl)-5-methyl-3-(2-pyridyl)thiazolidin-4-one
SMILES: C=1(C(=C(Cl)C=CC1)C2N(C(C(S2)C)=O)C3=NC=CC=C3)Cl
Compound: 4-Thiazolidinone, 2-(2,6-dichlorophenyl)-3-(2-furanylmethyl)-
SMILES: C=1(C(=C(C=CC1)Cl)C2N(C(CS2)=O)CC=3OC=CC3)Cl
Compound: 3-(6-Methylpyridin-2-yl)-2-(4-pyridin-3-ylphenyl)-1,3-thiazolidin-4-one
SMILES: C=1C(C2SCC(=O)N2C3=CC=CC(=N3)C)=CC=C(C1)C4=CC=CN=C4
Compound: 2-(4-Dimethylaminophenyl)-3-(6-methyl-2-pyridyl)thiazolidin-4-one
SMILES: C=1C(=CC=C(C1)N(C)C)C2N(C(=O)CS2)C3=CC=CC(=N3)C
Compound: 2-(2,6-Dichlorophenyl)-3-(3-pyridylmethyl)thiazolidin-4-one
SMILES: C=1(C(=C(C=CC1)Cl)C2N(C(CS2)=O)CC3=CN=CC=C3)Cl
Compound: (5-Chloropyridin-3-yl) (3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
SMILES: C1=CC=C2CN(C(C)=O)[C@H](C(OC3=CC(=CN=C3)Cl)=O)CC2=C1
Compound: (5-Chloropyridin-3-yl) 1H-indole-4-carboxylate
SMILES: C=1C=2NC=CC2C(=CC1)C(OC3=CN=CC(=C3)Cl)=O
Compound: (5-Chloropyridin-3-yl) 1-acetylindole-4-carboxylate
SMILES: C=1C2=C(C(=CC1)C(OC3=CN=CC(=C3)Cl)=O)C=CN2C(=O)C
Compound: (5-Chloropyridin-3-yl) 1H-indole-7-carboxylate
SMILES: C=1(C(=O)OC2=CC(=CN=C2)Cl)C=3NC=CC3C=CC1
Compound: CHEMBL492571
SMILES: C=1C=C(C(/C=C(/C(=O)O)\O)=O)C=C(NCC2=CC=CC=C2)C1
Compound: (5-Chloropyridin-3-yl) 1H-indole-6-carboxylate
SMILES: C=1C=2NC=CC2C=CC1C(=O)OC3=CN=CC(=C3)Cl
Compound: (5-Chloropyridin-3-yl) 1-(3-nitrophenyl)sulfonylindole-5-carboxylate
SMILES: C=1C=2N(C=CC2C=C(C1)C(OC=3C=NC=C(C3)Cl)=O)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]
Compound: Benzotriazol-1-yl 1H-indole-5-carboxylate
SMILES: C=1C2=C(C=C(C(ON3C4=C(N=N3)C=CC=C4)=O)C1)C=CN2
Compound: (5-Chloropyridin-3-yl) 1-acetylindole-5-carboxylate
SMILES: C=1C2=C(C=C(C1)C(OC3=CC(=CN=C3)Cl)=O)C=CN2C(=O)C
Compound: (5-Chloropyridin-3-yl) 1-(4-methylphenyl)sulfonylindole-5-carboxylate
SMILES: C1=CC(=CC=2C=CN(C21)S(=O)(=O)C3=CC=C(C=C3)C)C(OC4=CC(=CN=C4)Cl)=O
Compound: 2-(2,6-Dichlorophenyl)-3-(2-furylmethyl)-1,3-thiazinan-4-one
SMILES: C=1(C(=C(Cl)C=CC1)C2N(C(CCS2)=O)CC=3OC=CC3)Cl
Compound: 5-(2,4-Difluorophenyl)-N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
SMILES: C=1(O)C(=CC(=CC1)C2=C(C=C(C=C2)F)F)C(NN3C(CSC3C4=CC=CC=C4F)=O)=O
Compound: (5-Chloropyridin-3-yl) 1H-indole-5-carboxylate
SMILES: C=1(C=C(C=NC1)Cl)OC(=O)C2=CC=C3C(=C2)C=CN3
Compound: 3-[2-[(E,3E)-3-(3-Ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
SMILES: C(\C1=[N+](C=2C=CC=CC2S1)CCCS([O-])(=O)=O)=C(\C=C\3/N(C4=C(S3)C=CC(=C4)OC)CC)/OC
Compound: 2-(4-Fluorophenyl)-3-(2-pyridyl)thiazolidin-4-one
SMILES: C=1C(=CC=C(C1)F)C2N(C(CS2)=O)C3=NC=CC=C3
Compound: 2-(2,6-Dichlorophenyl)-3-(2-furylmethyl)-5-methyl-thiazolidin-4-one
SMILES: C=1(C(=C(Cl)C=CC1)C2N(C(C(C)S2)=O)CC=3OC=CC3)Cl
Compound: 2-(2,6-Dichlorophenyl)-5-methyl-3-(3-pyridylmethyl)thiazolidin-4-one
SMILES: C=1(C(=C(Cl)C=CC1)C2N(C(=O)C(S2)C)CC3=CN=CC=C3)Cl
Compound: 2-(2,6-Dibromophenyl)-3-(2-thienylmethyl)thiazolidin-4-one
SMILES: C=1(C(=C(C=CC1)Br)C2N(C(CS2)=O)CC=3SC=CC3)Br
Compound: Benzyl N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(1,3-thiazol-2-yl)propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]carbamate
SMILES: [C@H](C[C@@]1(CCNC1=O)[H])(C(C2=NC=CS2)=O)NC([C@@H](NC(=O)[C@H](C(C)C)NC(OCC3=CC=CC=C3)=O)CC(C)C)=O
Compound: (2E)-3-Ethyl-2-[(E)-3-(3-ethyl-4,5-diphenyl-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]benzo[g][1,3]benzothiazole;chloride
SMILES: [Cl-].[N+]1(=C(SC2=C1C=CC=3C2=CC=CC3)\C=C\C=C/4\SC(C5=CC=CC=C5)=C(N4CC)C=6C=CC=CC6)CC
Compound: (2E)-5-(1,3-Benzothiazol-2-yl)-2-[(E)-3-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-1,3-benzothiazole;chloride
SMILES: [Cl-].[N+]1(=C(SC2=C1C=C(C3=NC4=CC=CC=C4S3)C=C2)/C=C/C=C/5\N(C=6C=C(C7=NC=8C=CC=CC8S7)C=CC6S5)CC)CC
Compound: 7-(4-Chloro-benzyloxy)-2-(3,4-dihydroxy-phenyl)-3,5-dihydroxy-chromen-4-one
SMILES: C1=C(OCC2=CC=C(C=C2)Cl)C=C3OC(=C(O)C(=O)C3=C1O)C=4C=C(C(=CC4)O)O
Compound: 7-(3-Chloro-benzyloxy)-2-(3,4-dihydroxy-phenyl)-3,5-dihydroxy-chromen-4-one
SMILES: C1=C(OCC2=CC=CC(=C2)Cl)C=C3OC(=C(O)C(=O)C3=C1O)C=4C=C(C(=CC4)O)O
Compound: 3-[2-(3,4-Dihydroxy-phenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yloxymethyl]-benzonitrile
SMILES: C1=C(OCC2=CC=CC(=C2)C#N)C=C3OC(=C(O)C(=O)C3=C1O)C=4C=C(C(=CC4)O)O
Compound: 2-(1,3-Benzodioxol-5-yl)-7-[(4-chlorophenyl)methoxy]-3,5-dihydroxychromen-4-one
SMILES: C1=C(OCC2=CC=C(C=C2)Cl)C=C3OC(=C(O)C(=O)C3=C1O)C=4C=C5C(=CC4)OCO5
Compound: 3-[[2-(1,3-Benzodioxol-5-yl)-3,5-dihydroxy-4-oxochromen-7-yl]oxymethyl]benzonitrile
SMILES: C1=C(OCC2=CC=CC(=C2)C#N)C=C3OC(=C(O)C(=O)C3=C1O)C4=CC=C5C(=C4)OCO5
Compound: (2E)-3-Ethyl-2-[(2Z)-2-[[3-ethyl-6-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazole;chloride
SMILES: [Cl-].[N+]1(=C(SC2=C1C=C(C(C)=C2)C)/C=C(/C=C/3\N(C=4C=CC(/C=C/C5=CC=CC=C5)=CC4S3)CC)\CC)CC
Compound: 2-Methyl-5-(methylaminomethyl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILES: C=1C2=C(C=CC=C2)C(=CC1)[C@H](NC(C=3C(=CC=C(C3)CNC)C)=O)C
Compound: 5-(Aminomethyl)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILES: C=1C2=C(C=CC=C2)C([C@H](NC(C=3C(=CC=C(C3)CN)C)=O)C)=CC1
Compound: 5-(Piperidin-1-ylsulfonyl)-1H-indole-2,3-dione
SMILES: S(C1=CC=2C(C(=O)NC2C=C1)=O)(N3CCCCC3)(=O)=O
Compound: L-arabinuronic acid
SMILES: C([H])(=O)[C@H](O)[C@@H](O)[C@@H](O)C(O)=O
Compound: (-)-isodihydrocarveol
SMILES: C[C@@H]1CC[C@@H](C[C@H]1O)C(C)=C
Compound: D-arabinuronic acid
SMILES: C([H])(=O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O
Compound: CDN1163
SMILES: O=C(NC1=C2N=C(C=CC2=CC=C1)C)C3=CC=C(OC(C)C)C=C3
Compound: IdoA2S-GlcNS6S tetrasaccharide
SMILES: S(O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NS(O)(=O)=O)[C@H](O[C@@H]2COS(O)(=O)=O)O[C@H]3[C@H](O)[C@@H](OS(O)(=O)=O)[C@H](O[C@H]4[C@H](O)[C@@H](NS(O)(=O)=O)[C@H](O[C@@H]4COS(O)(=O)=O)O[C@H]5[C@H](O)[C@@H](OS(O)(=O)=O)[C@H](O[C@H]6[C@H](O)[C@@H](NS(O)(=O)=O)[C@H](O[C@@H]6COS(O)(=O)=O)O[C@H]7[C@H](O)[C@@H](OS(O)(=O)=O)[C@H](O[C@H]8[C@H](O)[C@@H](NS(O)(=O)=O)[C@H](O[C@@H]8COS(O)(=O)=O)O)O[C@H]7C(O)=O)O[C@H]5C(O)=O)O[C@H]3C(O)=O)O[C@H]([C@@H](O)[C@@H]1O)C(O)=O)(O)(=O)=O
Compound: N-linoleoylglycine(1-)
SMILES: N(CC([O-])=O)C(CCCCCCC/C=C\C/C=C\CCCCC)=O
Compound: dihydrogeodin(2-)
SMILES: C1(=C(C)C(=C([O-])C(=C1[O-])C(C2=C(C=C(C=C2C(=O)OC)O)OC)=O)Cl)Cl
Compound: emodin anthrone
SMILES: C1=C(C=C(C2=C1CC3=C(C2=O)C(=CC(=C3)O)O)O)C
Compound: 3-{beta-D-GlcNAc-(1->3)-[D-GrO-(2->1)]-beta-D-GlcNAc-(6-P-6)-beta-D-Glc-(1->6)-beta-D-Glc-(1->6)-beta-D-Glc-yl}-1,2-dimyristoyl-sn-glycerol
SMILES: [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)COP(O)(OC[C@H]2O[C@@H]([C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(C)=O)NC(C)=O)O[C@@H](C(O)=O)CO)=O)O)O)O)OC[C@H]4O[C@H]([C@@H]([C@H]([C@@H]4O)O)O)OC[C@H]5O[C@H]([C@@H]([C@H]([C@@H]5O)O)O)OC[C@@H](COC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCC)=O
Compound: 1-phenylpropan-1-aminium
SMILES: C1=CC=CC=C1C(CC)[NH3+]
Compound: atrochrysone
SMILES: C1C(C=2C(=C3C(=CC2CC1(O)C)C=C(C=C3O)O)O)=O
Compound: 3-{beta-D-GlcNAc-(1->3)-[D-GrO-(2->1)]-beta-D-GlcNAc-(6-P-6)-beta-D-GlcNAc-(1->3)-[D-GrO-(2->1)]-beta-D-GlcNAc-(6-P-6)-beta-D-Glc-(1->6)-beta-D-Glc-(1->6)-beta-D-Glc-yl}-1,2-dimyristoyl-sn-glycerol
SMILES: [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)COP(O)(OC[C@H]2O[C@@H]([C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COP(O)(OC[C@H]4O[C@@H]([C@@H]([C@H]([C@@H]4O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(C)=O)NC(C)=O)O[C@@H](C(O)=O)CO)=O)O)O)NC(C)=O)NC(C)=O)O[C@@H](C(O)=O)CO)=O)O)O)O)OC[C@H]6O[C@H]([C@@H]([C@H]([C@@H]6O)O)O)OC[C@H]7O[C@H]([C@@H]([C@H]([C@@H]7O)O)O)OC[C@@H](COC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCC)=O
Compound: 3-aminobutanoic acid zwitterion
SMILES: CC(CC(=O)[O-])[NH3+]
Compound: 3-{beta-D-GlcNAc-(1->3)-[D-GrO-(2->1)]-beta-D-GlcNAc-(6-P-6)-beta-D-GlcNAc-(1->3)-[D-GrO-(2->1)]-beta-D-GlcNAc-(6-P-6)-beta-D-GlcNAc-(1->3)-[D-GrO-(2->1)]-beta-D-GlcNAc-(6-P-6)-beta-D-Glc-(1->6)-beta-D-Glc-(1->6)-beta-D-Glc-yl}-1,2-dimyristoyl-sn-glycerol
SMILES: [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)COP(O)(OC[C@H]2O[C@@H]([C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COP(O)(OC[C@H]4O[C@@H]([C@@H]([C@H]([C@@H]4O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COP(O)(OC[C@H]6O[C@@H]([C@@H]([C@H]([C@@H]6O)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(C)=O)NC(C)=O)O[C@@H](C(O)=O)CO)=O)O)O)NC(C)=O)NC(C)=O)O[C@@H](C(O)=O)CO)=O)O)O)NC(C)=O)NC(C)=O)O[C@@H](C(O)=O)CO)=O)O)O)O)OC[C@H]8O[C@H]([C@@H]([C@H]([C@@H]8O)O)O)OC[C@H]9O[C@H]([C@@H]([C@H]([C@@H]9O)O)O)OC[C@@H](COC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCC)=O
Compound: 3,8,9,10-tetrahydroxy-6-methyl-1,4-dihydroanthracen-1-one
SMILES: C1=C(C=C(C2=C1C(=C3C(=C2O)C(C=C(C3)O)=O)O)O)C
Compound: (3R)-3,8,9,10-tetrahydroxy-6-methyl-1,2,3,4-tetrahydroanthracen-1-one
SMILES: C=1C(=CC(=C2C1C(=C3C(=C2O)C(C[C@@H](C3)O)=O)O)O)C
Compound: (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILES: O([C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]3CO[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)O)O[C@@H]([C@H]1O)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O)[C@H]8O)CO)[C@H]7O)CO)[C@H](O)[C@H]6NC(=O)C)CO)CO)[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O[C@@H]%10O[C@@H]([C@@H](O[C@@H]%11O[C@@H]([C@H](O)[C@H](O)[C@H]%11O)CO[C@]%12(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%12)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@@H]%10NC(=O)C)CO)CO
Compound: CID 91848436
SMILES: O([C@H]1[C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@]4(O[C@H]([C@H](NC(=O)C)[C@@H](O)C4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]3O)CO)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H]1O[C@H]5[C@H](O)[C@H](O[C@@H](O[C@H]6[C@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]7CO[C@@H]8O[C@H]([C@@H](O)[C@@H](O)[C@@H]8O)C)O)[C@H]5O)CO[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O[C@@H]%10O[C@@H]([C@@H](O[C@@H]%11O[C@@H]([C@H](O)[C@H](O)[C@H]%11O)CO)[C@H](O)[C@H]%10NC(=O)C)CO)CO[C@@H]%12O[C@@H]([C@@H](O[C@@H]%13O[C@@H]([C@H](O)[C@H](O[C@@H]%14O[C@@H]([C@@H](O[C@@H]%15O[C@@H]([C@H](O)[C@H](O[C@]%16(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%16)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%15O)CO)[C@H](O)[C@H]%14NC(=O)C)CO)[C@H]%13O)CO)[C@H](O)[C@H]%12NC(=O)C)CO)CO)[C@@H]%17O[C@@H]([C@@H](O[C@@H]%18O[C@@H]([C@H](O)[C@H](O[C@]%19(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%19)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%18O)CO)[C@H](O)[C@@H]%17NC(=O)C)CO
Compound: (2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
Compound: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILES: O([C@H]1[C@H](O[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O)[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO)CO)[C@@H]4O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O)CO)[C@H](O)[C@H]3NC(=O)C)CO
Compound: (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES: O([C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@H](O)C(O[C@@H]2CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)[C@H]3O)CO
Compound: N-[(3R,4R,5S,6R)-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILES: O([C@H]1[C@H](O)[C@H](O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]2CO)O)[C@H]1O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O)CO)[C@@H]3O)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO)CO)[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O)CO)CO)CO[C@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O)CO[C@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@@H]%11O)CO
Compound: N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILES: O([C@H]1[C@H](O)[C@H](O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]3CO)O)[C@H]1O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6NC(=O)C)CO)[C@H](O)[C@H]5NC(=O)C)CO)CO[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O)[C@H]8NC(=O)C)CO)[C@@H](O)[C@H]7NC(=O)C)CO)[C@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10NC(=O)C)CO)[C@H](O)[C@@H]9O[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12NC(=O)C)CO)[C@H](O)[C@H]%11NC(=O)C)CO)CO
Compound: N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide
SMILES: O([C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]3CO[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)O)O[C@@H]([C@H]1O)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO)[C@@H]5O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O)CO)[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10NC(=O)C)CO)[C@H](O)[C@H]9NC(=O)C)CO)CO
Compound: (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5S,6R)-2-[(2R,3R,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILES: O([C@@H]1O[C@@H]([C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O[C@]3(O[C@H]([C@H](NC(=O)C)[C@@H](O)C3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)CO)[C@H]1NC(=O)C)CO[C@]4(O[C@H]([C@H](NC(=O)C)[C@@H](O)C4)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]5[C@@H](O[C@H]6[C@H](O)[C@H](O[C@@H](O[C@H]7[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]7CO)O[C@H]8[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]8CO)O)[C@H]6O)CO[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O[C@@H]%10O[C@@H]([C@@H](O[C@@H]%11O[C@@H]([C@H](O)[C@H](O[C@]%12(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%12)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%11O)CO)[C@H](O)[C@H]%10NC(=O)C)CO)CO)O[C@@H]([C@@H](O)[C@@H]5O)CO
Compound: (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,6-trihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
SMILES: O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1O)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
Compound: CID 91852623
SMILES: O1[C@H](O[C@H]2[C@H](O)[C@H](O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]4CO)O)[C@H]2O)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@@H]6O[C@@H]([C@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O)[C@H]7O)CO[C@]8(O[C@H]([C@H](NC(=O)C)[C@@H](O)C8)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]6NC(=O)C)CO)CO)[C@@H](O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O)CO[C@]%11(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%11)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]9NC(=O)C)CO)[C@@H](O)[C@H](O[C@@H]%12O[C@@H]([C@@H](O[C@@H]%13O[C@@H]([C@H](O)[C@H](O[C@]%14(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%14)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%13O)CO)[C@H](O)[C@H]%12NC(=O)C)CO)[C@H]1CO
Compound: N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3-hydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide
SMILES: O([C@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]4CO[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)O)[C@H]1O)CO[C@H]6O[C@@H]([C@@H](O)[C@H](O[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O)CO)[C@@H]6O)CO)[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O)CO)[C@H](O[C@@H]%11O[C@H]([C@@H](O)[C@@H](O)[C@@H]%11O)C)[C@H]9NC(=O)C)CO)CO
Compound: CID 91855732
SMILES: O([C@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]4CO[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)O)[C@H]1O)CO[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O)CO)[C@H](O)[C@H]9NC(=O)C)CO)[C@@H]8O)CO)[C@H](O)[C@H]7NC(=O)C)CO)CO[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O)CO)[C@@H](O)[C@H]%11NC(=O)C)CO)[C@H]%13O[C@@H]([C@@H](O[C@@H]%14O[C@@H]([C@@H](O)[C@H](O)[C@H]%14NC(=O)C)CO)[C@H](O)[C@@H]%13O[C@@H]%15O[C@@H]([C@@H](O[C@@H]%16O[C@@H]([C@H](O)[C@H](O[C@@H]%17O[C@@H]([C@@H](O[C@@H]%18O[C@@H]([C@H](O)[C@H](O)[C@H]%18O)CO)[C@H](O)[C@H]%17NC(=O)C)CO)[C@H]%16O)CO)[C@H](O)[C@H]%15NC(=O)C)CO)CO
Compound: N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILES: O([C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]3CO)O)O[C@@H]([C@H]1O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O)CO)[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O)CO)CO)CO[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O)CO)CO
Compound: N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5S,6S)-4-[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-6-[(2R,3S,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILES: O([C@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H](O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO)[C@H]1O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO)CO)[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6NC(=O)C)CO)CO