MonarchInit/C3PO huggingface dataset:
Compound: (2S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-5-hydroxy-4-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILES: O([C@@H]1[C@H](O[C@]2(O[C@H]([C@H](NC(=O)CO)[C@@H](O)C2)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H](O)[C@@H](O[C@@H]1CO)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)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]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO)[C@H]5O[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)CO)[C@H]4NC(=O)C)CO
Compound: (2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-hydroxy-2-(sulfooxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILES: S(OC[C@H]1O[C@@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)[C@@H]1O[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)COS(O)(=O)=O)(O)(=O)=O
Compound: CID 91848936
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@H]3O)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](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H]1CO)OC[C@H]5O[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)O)[C@@H](O)[C@@H](O[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@]%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]%10O)CO)[C@H](O)[C@H]9NC(=O)C)CO)CO)[C@@H]5O)[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
Compound: CID 91850586
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@@H](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]8O)CO[C@]9(O[C@H]([C@H](NC(=O)C)[C@@H](O)C9)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]7NC(=O)C)CO)CO)[C@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O[C@@H]%13O[C@H]([C@@H](O)[C@@H](O)[C@@H]%13O)C)CO[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](O)[C@H]%11NC(=O)C)CO)CO[C@@H]%15O[C@@H]([C@@H](O[C@@H]%16O[C@@H]([C@H](O)[C@H](O)[C@H]%16O[C@@H]%17O[C@H]([C@@H](O)[C@@H](O)[C@@H]%17O)C)CO[C@]%18(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%18)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]%15NC(=O)C)CO
Compound: beta-D-Glcp-(1->3)-[beta-D-Glcp-(1->6)-beta-D-Glcp-(1->6)-beta-D-Glcp-(1->3)-beta-D-Glcp-(1->6)-beta-D-Glcp-(1->6)]-D-Glcp
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC[C@H]2OC(O)[C@H](O)[C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)[C@@H]2O)CO[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)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)[C@H]4O)CO
Compound: (2S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,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-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILES: O([C@@H]1[C@H](O[C@]2(O[C@H]([C@H](NC(=O)CO)[C@@H](O)C2)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H](O)[C@@H](O[C@@H]1CO)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)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]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)[C@H]5O)CO)[C@H]4NC(=O)C)CO
Compound: 3-butynoic acid
SMILES: OC(=O)CC#C
Compound: beta-D-ManpNAc-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp
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@H](O[C@@H]2CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3NC(=O)C)CO
Compound: beta-L-Fucp-(1->6)-alpha-D-Galp
SMILES: O1[C@@H]([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)C
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)-3,5-bis[[(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-hydroxy-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-[[(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]6O)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]7O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9NC(=O)C)CO)CO
Compound: N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2R,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-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-(hydroxymethyl)oxan-3-yl]acetamide
SMILES: O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](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[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O)CO)CO)[C@@H]3O)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)CO
Compound: alpha-L-Fucp-(1->3)-[beta-D-Galp6S-(1->4)-beta-D-GlcpNAc 6S-(1->3)-beta-D-Galp-(1->4)]-D-Glc-OH 2NAc 6S
SMILES: O([C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)COS(=O)(=O)O)[C@H](O)[C@H]1NC(=O)C)COS(=O)(=O)O)[C@@H]3[C@@H](O)[C@@H](O[C@@H]([C@@H]3O)CO)O[C@@H]([C@H](O[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)[C@@H](NC(=O)C)CO)[C@H](O)COS(=O)(=O)O
Compound: CID 91849921
SMILES: O([C@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)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](O)[C@H]2NC(=O)C)CO)[C@H](O)[C@@H]1O[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO[C@]7(O[C@H]([C@H](NC(=O)C)[C@@H](O)C7)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]5NC(=O)C)CO)CO)[C@H]8[C@H](O)[C@H](O[C@@H](O[C@H]9[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]9CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO)[C@H]8O)CO[C@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O[C@]%13(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%13)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%12O)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-hydroxy-6-(hydroxymethyl)-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-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-[[(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](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]2CO[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)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]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)[C@H]6NC(=O)C)CO)CO)[C@@H]4O)CO[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O)CO
Compound: alpha-D-Galp-(1->4)-D-Glcp
SMILES: O([C@H]1[C@H](O)[C@@H](O)C(O[C@@H]1CO)O)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO
Compound: (2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-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-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
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]3[C@@H](O)[C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]4CO)OC[C@H]5O[C@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O[C@]7(O[C@H]([C@H](NC(=O)C)[C@@H](O)C7)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]6O)CO)[C@H]5O)[C@@H]8O[C@@H]([C@H](O)[C@H](O[C@]9(O[C@H]([C@H](NC(=O)C)[C@@H](O)C9)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]8O)CO
Compound: N-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILES: O([C@H]1[C@@H](O)[C@H](OC(O)[C@@H]1NC(=O)C)CO[C@@H]2O[C@@H]([C@@H](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]4NC(=O)C)CO)[C@H]3O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO)[C@H](O)[C@H]2NC(=O)C)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]7NC(=O)C)CO)[C@H]6O[C@@H]8O[C@H]([C@@H](O)[C@@H](O)[C@@H]8O)C)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,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,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]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-(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]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O)CO)[C@@H]4O)CO[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)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]9O[C@@H]([C@H](O)[C@H](O[C@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O)CO)[C@H]9O)CO)[C@H](O)[C@H]8NC(=O)C)CO)CO
Compound: (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-6-[(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-[(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]oxymethyl]-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-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-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-dihydroxyoxan-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@@H](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]7NC(=O)C)CO)[C@H](O)[C@H]6NC(=O)C)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]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10NC(=O)C)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)CO
Compound: alpha-D-Glcp-(1->6)-alpha-D-Glcp-(1->6)-beta-D-Glcf
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@H]1OC[C@@H](O)[C@H]2O[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 91850549
SMILES: O([C@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](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[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O)[C@@H]1O[C@@H]6O[C@@H]([C@@H](O[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)CO)[C@H](O)[C@H]6NC(=O)C)CO)CO)[C@H]9[C@H](O)[C@H](O[C@@H](O[C@H]%10[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]%10CO)O[C@H]%11[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]%11CO[C@@H]%12O[C@H]([C@@H](O)[C@@H](O)[C@@H]%12O)C)O)[C@H]9O)CO[C@H]%13O[C@@H]([C@@H](O)[C@H](O)[C@@H]%13O[C@@H]%14O[C@@H]([C@@H](O[C@@H]%15O[C@@H]([C@H](O)[C@H](O[C@H]%16O[C@@H]([C@H](O)[C@H](O)[C@H]%16O)CO)[C@H]%15O[C@@H]%17O[C@H]([C@@H](O)[C@@H](O)[C@@H]%17O)C)CO)[C@H](O)[C@H]%14NC(=O)C)CO)CO
Compound: CID 91854789
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[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)O)[C@H]2O)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)C)[C@@H]6O[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@H](O)[C@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O[C@@H]%11O[C@H]([C@@H](O)[C@@H](O)[C@@H]%11O)C)CO)[C@H]9NC(=O)C)CO)[C@H](O)[C@H]8NC(=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]%13O)CO)[C@H](O)[C@H]%12NC(=O)C)CO)[C@@H](O[C@@H]%14O[C@@H]([C@@H](O[C@@H]%15O[C@@H]([C@H](O)[C@H](O)[C@H]%15O)CO)[C@H](O)[C@H]%14NC(=O)C)CO)[C@@H](O[C@@H]%16O[C@H]([C@@H](O)[C@@H](O)[C@@H]%16O)C)[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]1CO
Compound: N-[(2R,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-[(2S,3S,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-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: O1[C@@H]([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]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4NC(=O)C)CO)[C@H](O)[C@@H]3O)CO)[C@H](O)[C@@H]1O[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)CO[C@H]9O[C@@H]([C@@H](O[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)[C@H](O)[C@@H]9O)CO
Compound: N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-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](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](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]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O)CO)[C@@H]3O)CO[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO
Compound: N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4S,5S,6R)-4-[(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-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILES: O([C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@H]1NC(=O)C)CO)[C@@H]4[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]6[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](O[C@@H]([C@@H]8O)CO)O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@@H]9CO)O)O[C@@H]([C@@H]6O)CO)O[C@@H]5CO)O[C@@H]([C@@H]4O)CO
Compound: N-[(2R,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-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)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-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@@H](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]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O)CO)[C@@H]4O)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](O)[C@@H]7O)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[C@H]%10O[C@@H]([C@@H](O)[C@H](O[C@@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@H]%11O)CO)[C@@H]%10O)CO)CO)CO
Compound: N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,3S,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-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](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](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]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO)[C@H](O)[C@H]5NC(=O)C)CO)[C@H](O)[C@@H]4O)CO)[C@@H]3O)CO[C@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@H](O)[C@H](O)[C@H]9O)CO)[C@H](O)[C@H]8NC(=O)C)CO)[C@H](O)[C@@H]7O)CO
Compound: N-[(2R,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-2,4,6-trihydroxy-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,3S,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILES: O([C@@H]1[C@H](O)[C@@H](O[C@@H]([C@H]1O)CO[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO)CO)O[C@H]4[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]4CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)[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]7NC(=O)C)CO)CO
Compound: (2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-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](O[C@@H](O[C@H]([C@@H](NC(=O)C)CO)[C@@H](O)[C@H](O)CO)[C@@H]3O)CO)O[C@@H]([C@@H]1O)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
Compound: alpha-D-Glcp-(1->6)-[beta-D-Glcp-(1->4)]-D-Glcp
SMILES: O([C@@H]1[C@H](OC(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: N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-5-Acetamido-2-[[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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)OC[C@H]3OC(O)[C@H](NC(=O)C)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4NC(=O)C)CO)[C@H]3O)[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)C)CO
Compound: N-[(2R,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-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4-[(2R,3S,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-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](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](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]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5NC(=O)C)CO)[C@H](O)[C@@H]4O)CO)[C@@H]3O)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](O)[C@H]7NC(=O)C)CO)CO[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8NC(=O)C)CO
Compound: CID 91850737
SMILES: O([C@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)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](O)[C@H]2NC(=O)C)CO)[C@H](O)[C@@H]1O[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO[C@]7(O[C@H]([C@H](NC(=O)C)[C@@H](O)C7)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]5NC(=O)C)CO)CO)[C@H]8[C@H](O)[C@H](O[C@@H](O[C@H]9[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]9CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO[C@@H]%10O[C@H]([C@@H](O)[C@@H](O)[C@@H]%10O)C)[C@H]8O)CO[C@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@@H]%11O[C@@H]%12O[C@@H]([C@@H](O[C@@H]%13O[C@@H]([C@H](O)[C@H](O)[C@H]%13O)CO[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](O)[C@H]%12NC(=O)C)CO)CO[C@@H]%15O[C@@H]([C@@H](O[C@@H]%16O[C@@H]([C@H](O)[C@H](O)[C@H]%16O)CO[C@]%17(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%17)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]%15NC(=O)C)CO
Compound: (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]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: O1[C@@H](O[C@H]2[C@@H](O)[C@H](O)[C@H](O[C@@H]2OC[C@H]3OC(O)[C@@H](O)[C@@H](O)[C@@H]3O)CO)[C@H](NC(=O)C)[C@@H](O)[C@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO[C@]5(O[C@H]([C@H](NC(=O)C)[C@@H](O)C5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]1CO
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-4-hydroxy-5-[(2S,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILES: O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O)O[C@@H]1CO)[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)CO[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO)[C@@H]4O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)CO
Compound: [alpha-D-Glcp-(1->6)]6-D-Glcp
SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)C1O)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[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)CO[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO
Compound: beta-D-fructofuranosyl-(2,1)-beta-D-fructofuranose
SMILES: [C@@]1(O[C@H](CO)[C@H]([C@@H]1O)O)(OC[C@]2(O[C@H](CO)[C@H]([C@@H]2O)O)O)CO
Compound: 4alpha-hydroxymethylzymosterol
SMILES: C1[C@@]2(C=3CC[C@]4([C@](C3CC[C@]2([C@@H]([C@H](C1)O)CO)[H])(CC[C@@]4([C@@H](CCC=C(C)C)C)[H])[H])C)C
Compound: 4alpha-formylzymosterol
SMILES: C1[C@@]2(C=3CC[C@]4([C@](C3CC[C@]2([C@@H]([C@H](C1)O)C=O)[H])(CC[C@@]4([C@@H](CCC=C(C)C)C)[H])[H])C)C
Compound: 3,3',5'-trimethylmyricetin
SMILES: C1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC(=C(C(=C3)OC)O)OC)O)O
Compound: N(4)-acetyl-2'-deoxycytidine
SMILES: O1[C@@H](N2C=CC(=NC2=O)NC(=O)C)C[C@H](O)[C@H]1CO
Compound: N(4)-acetylcytosine
SMILES: O=C1NC=CC(=N1)NC(=O)C
Compound: 7,3',5'-trimethylmyricetin
SMILES: C1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC(=C(C(=C3)OC)O)OC)O)OC
Compound: 6-PEA-alpha-D-Man-(1->2)-alpha-D-Man-(1->6)-alpha-D-Man-(1->4)-beta-D-GlcN-O[CH2]6SH
SMILES: O([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COP(OCCN)(O)=O)O)O)O)C[C@H]3O[C@@H]([C@H]([C@H]([C@@H]3O)O)O)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)OCCCCCCS)N)O
Compound: 3,3'-dimethylquercetin
SMILES: C1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)OC)O)O
Compound: 3,3',4',5'-tetramethylmyricetin
SMILES: C1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)O)O
Compound: 4alpha-hydroxymethyl-4beta-methyl-5alpha-cholest-7-en-3beta-ol
SMILES: C1[C@@]2([C@]3(CC[C@]4([C@](C3=CC[C@]2([C@@]([C@H](C1)O)(CO)C)[H])(CC[C@@]4([C@@H](CCCC(C)C)C)[H])[H])C)[H])C
Compound: 1alpha,25-dihydroxy-2beta-(1,3-dihydroxypropoxy)vitamin D3
SMILES: C1[C@]2([C@](/C(=C/C=C/3\C([C@H]([C@@H]([C@@H](C3)O)OC(CCO)O)O)=C)/CC1)(CC[C@@]2([C@H](C)CCCC(C)(C)O)[H])[H])C
Compound: 3,4'-dimethylkaempferol
SMILES: C12=C(OC(C3=CC=C(OC)C=C3)=C(C1=O)OC)C=C(O)C=C2O
Compound: herquline B(1+)
SMILES: [H][C@]12CN(C)[C@]([H])(C[NH2+]1)CC1=C[C@]([H])(C(=O)CC1)[C@]1([H])C=C(CCC1=O)C2
Compound: L-Fucp-(1->2)-[D-Galp-(1->3)]-D-Galp
SMILES: C1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)OC2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)OC3O[C@H]([C@H]([C@H]([C@@H]3O)O)O)C)O
Compound: 7,4'-dimethylkaempferol
SMILES: C12=C(OC(C3=CC=C(OC)C=C3)=C(C1=O)O)C=C(OC)C=C2O
Compound: (1S,7R,8R,14S)-6,9-dioxo-15,17-diazatetracyclo[12.2.2.1(3,7).1(8,12)]icosa-3(20),12(19)-dien-15-ium
SMILES: [C@]12(C(CCC(=C1)C[C@H]3CN[C@H](C[NH2+]3)CC4=C[C@]2(C(CC4)=O)[H])=O)[H]
Compound: (1S,8R,14S)-6-hydroxy-9-oxo-15,17-diazatetracyclo[12.2.2.1(3,7).1(8,12)]icosa-3(20),4,6,10,12(19)-pentaen-15-ium(1+)
SMILES: C12=C(C=CC(=C1)C[C@@H]3NC[C@@H]([NH2+]C3)CC=4C=CC([C@@]2(C4)[H])=O)O
Compound: alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->6)-alpha-D-Man-(1->4)-beta-D-GlcN-O[CH2]6SH
SMILES: O(C[C@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)OCCCCCCS)N)O)[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
Compound: alpha-D-Man-(1->2)-6-PEA-alpha-D-Man-(1->2)-alpha-D-Man-(1->6)-alpha-D-Man-(1->4)-beta-D-GlcN-O[CH2]6SH
SMILES: O(C[C@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)OCCCCCCS)N)O)[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)COP(O)(OCCN)=O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
Compound: [alpha-D-Man-(1->2)-6-PEA-alpha-D-Man-(1->6)-alpha-D-Man-(1->4)-alpha-D-GlcN-(1->6)]-1-O-(6-thiohexylphosphono)-D-myo-inositol
SMILES: [C@@H]1([C@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)COP(OCCN)(=O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)N)OP(OCCCCCCS)(=O)O)O)O
Compound: marinobufagenin
SMILES: [C@]12(CC[C@@H](C[C@]2(CC[C@]3([C@]45[C@](CC[C@]13[H])([C@H](C[C@H]4O5)C6=COC(C=C6)=O)C)[H])O)O)C
Compound: ilicicolinate B
SMILES: C=1(C(=C(C(=C(C1)C)C(=O)[O-])O)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O
Compound: ilicicolin B
SMILES: C=1(C(=C(C(=C(C1)C)C=O)O)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O
Compound: ilicicolin A(1-)
SMILES: C=1(C(=C(C(=C(C1Cl)C)C=O)O)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)[O-]
Compound: ilicicolin A epoxide(1-)
SMILES: C=1(C(=C(C(=C(C1Cl)C)C=O)O)C/C=C(/CC/C=C(/CC[C@H]2C(C)(C)O2)\C)\C)[O-]
Compound: ilicicolin C(1-)
SMILES: C1(=C(C(=C(C(=C1Cl)C)C=O)O)C/C=C(/CC[C@@]2([C@H](C(=O)CC[C@H]2C)C)C)\C)[O-]
Compound: ascochlorin(1-)
SMILES: C1(=C(C(=C(C(=C1Cl)C)C([H])=O)O)C/C=C(/C=C/[C@@]2([C@H](C(=O)CC[C@H]2C)C)C)\C)[O-]
Compound: 16-hydroxy-ilicicolin A epoxide(1-)
SMILES: C=1(C(=C(C(=C(C1Cl)C)C=O)O)C/C=C(/CC/C=C(/[C@H](C[C@H]2C(C)(C)O2)O)\C)\C)[O-]
Compound: ascofuranol(1-)
SMILES: C=1(C(=C(C(=C(C1Cl)C)C=O)O)C/C=C(/CC/C=C(\C)/[C@@]2(C[C@@H](C(O2)(C)C)O)[H])\C)[O-]
Compound: ascofuranone(1-)
SMILES: C=1(C(=C(C(=C(C1Cl)C)C([H])=O)O)C/C=C(/CC/C=C(\C)/[C@@]2(CC(C(O2)(C)C)=O)[H])\C)[O-]
Compound: myristoleamide
SMILES: C(CCCCCCC/C=C\CCCC)(=O)N
Compound: palmitoleamide
SMILES: C(CCCCCCC/C=C\CCCCCC)(=O)N
Compound: (8Z,11Z,14Z)-icosatrienamide
SMILES: C(CCC(N)=O)CCC/C=C\C/C=C\C/C=C\CCCCC
Compound: (11Z,14Z,17Z)-icosatrienamide
SMILES: C(CCC(N)=O)CCCCCC/C=C\C/C=C\C/C=C\CC
Compound: (11Z,14Z)-icosadienamide
SMILES: C(CCCCC/C=C\C/C=C\CCCCC)CCCC(N)=O
Compound: nervonamide
SMILES: NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O
Compound: gondamide
SMILES: O=C(N)CCCCCCCCC/C=C\CCCCCCCC
Compound: petroselinamide
SMILES: O=C(N)CCCC/C=C\CCCCCCCCCCC
Compound: (7Z)-octadecenamide
SMILES: O=C(N)CCCCC/C=C\CCCCCCCCCC
Compound: (12Z)-octadecenamide
SMILES: O=C(N)CCCCCCCCCC/C=C\CCCCC
Compound: fumigatin
SMILES: C1=C(C(C(=C(C1=O)OC)O)=O)C
Compound: 5-methylorsellinate
SMILES: C=1(C=C(C(=C(C1C)C)C(=O)[O-])O)O
Compound: 2,4-dihydroxy-5,6-dimethylbenzaldehyde
SMILES: C=1(C=C(C(=C(C1C)C)C([H])=O)O)O
Compound: benzyl cinnamate
SMILES: C=1(C=CC=CC1)COC(/C=C/C=2C=CC=CC2)=O
Compound: (Z)-hexadec-11-enal
SMILES: C(=C\CCCCCCCCCC=O)\CCCC
Compound: levomethorphan
SMILES: C=1C=2C[C@@H]3[C@]4([C@@](C2C=C(C1)OC)(CCCC4)CCN3C)[H]
Compound: 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene
SMILES: C1CCCC2(C13C4=C(CC2N(CC3)C)C=CC(=C4)OC)[H]
Compound: (3E)-phytochromobilin
SMILES: C(\C=1C(=C(\C(\N1)=C\C=2NC(=C(C2CCC(O)=O)C)/C=C/3\NC([C@@H](\C3=C/C)C)=O)CCC(=O)O)C)=C/4\NC(C(=C4C)C=C)=O
Compound: resibufagenin
SMILES: [C@]12(CC[C@@H](C[C@]2(CC[C@]3([C@]45[C@](CC[C@]13[H])([C@H](C[C@H]4O5)C6=COC(C=C6)=O)[H])[H])[H])O)C
Compound: S-adenosylglutathione(1-)
SMILES: C([C@H]1O[C@@H](N2C=3N=CN=C(N)C3N=C2)[C@@H]([C@@H]1O)O)SC[C@H](NC(CC[C@@H](C([O-])=O)[NH3+])=O)C(=O)NCC([O-])=O
Compound: palmityl acetate
SMILES: C(CCCCCCCCCCCCCCC)OC(=O)C
Compound: N-(docosanoyl)ethanolamine
SMILES: C(CCCCCCCCCCCCCCCCCCCCC)(NCCO)=O
Compound: N-(15Z-tetracosenoyl)ethanolamine
SMILES: C(CCCCCCCCCCCCC/C=C\CCCCCCCC)(NCCO)=O
Compound: glymidine
SMILES: S(NC=1N=CC(=CN1)OCCOC)(=O)(=O)C2=CC=CC=C2
Compound: glymidine(1-)
SMILES: S([N-]C=1N=CC(=CN1)OCCOC)(=O)(=O)C2=CC=CC=C2
Compound: N,N-dimethyltetradecanamide
SMILES: C(CCCCCCCCCCC)CC(=O)N(C)C
Compound: N-oleoyltaurine(1-)
SMILES: C(C(NCCS([O-])(=O)=O)=O)CCCCCC/C=C\CCCCCCCC
Compound: 1-dodecylpyrrolidin-2-one
SMILES: C(CCCCCCCCCCN1C(CCC1)=O)C
Compound: N-glycoloylneuraminic acid
SMILES: O1[C@]([C@@H]([C@@H](CO)O)O)([H])[C@H](NC(CO)=O)[C@@H](O)CC1(C(O)=O)O
Compound: 15-acetyldeoxynivalenol
SMILES: [H][C@@]12O[C@]3([H])C=C(C)C(=O)[C@@H](O)[C@]3(COC(C)=O)[C@@](C)(C[C@H]1O)[C@]21CO1
Compound: 3-acetyldeoxynivalenol
SMILES: [H][C@@]12O[C@]3([H])C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@](C)(C[C@H]1OC(C)=O)[C@]21CO1
Compound: N-docosanoyltaurine(1-)
SMILES: C(C(NCCS([O-])(=O)=O)=O)CCCCCCCCCCCCCCCCCCCC
Compound: N-tricosanoyltaurine(1-)
SMILES: C(C(NCCS([O-])(=O)=O)=O)CCCCCCCCCCCCCCCCCCCCC
Compound: N-nervonoyltaurine(1-)
SMILES: C(C(NCCS([O-])(=O)=O)=O)CCCCCCCCCCCC/C=C\CCCCCCCC
Compound: micro-Hydroxydiphenyldimercury(1+)
SMILES: C1=CC=CC=C1[Hg][OH+][Hg]C2=CC=CC=C2
Compound: omega-hydroxyfinasteride
SMILES: O=C(NC(O)(C)C)C1C2(C(C3C(C4(C(N=C(O)C=C4)CC3)C)CC2)CC1)C
Compound: (25R)-3-oxocholest-4-en-26-oyl-CoA(4-)
SMILES: [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)[C@H](C)CCC[C@]([C@@]4([C@]5(CC[C@@]6([C@]7(CCC(C=C7CC[C@]6([C@@]5(CC4)[H])[H])=O)C)[H])C)[H])(C)[H])=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
Compound: (2R)-ibuprofenoyl-CoA(4-)
SMILES: [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)[C@H](C)C=4C=CC(=CC4)CC(C)C)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
Compound: (2S)-ibuprofenoyl-CoA(4-)
SMILES: [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)[C@@H](C)C=4C=CC(=CC4)CC(C)C)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
Compound: beta-D-Gal-(1->3)-{alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->6)}-alpha-D-GalNAc
SMILES: [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@@]5(C[C@@H]([C@H]([C@@](O5)([C@H](O)[C@@H](CO)O)[H])NC(C)=O)O)C(=O)O)O)O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)NC(C)=O)O)NC(C)=O
Compound: N-oleoyltaurine
SMILES: C(C(NCCS(O)(=O)=O)=O)CCCCCC/C=C\CCCCCCCC
Compound: palytoxin
SMILES: [C@H]1([C@@H](C[C@H](O1)CN)O)CC[C@@H]2[C@H]3O[C@@H](C[C@@H](O2)C3)C[C@H]([C@H](O)/C=C\[C@H]4O[C@@H]([C@@H]([C@H]([C@@H]4O)O)O)C[C@H]([C@@H](O)[C@H](O)[C@H](CCC(/C=C\C[C@H]([C@@H](O)[C@@H](C/C=C/C=C\[C@@H](O)C[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C[C@H]([C@@H](C[C@@H]6[C@H]([C@@H](C[C@](O6)([C@@H]([C@H](O)CC[C@@H](\C=C\[C@@H]([C@H](C[C@@]7(O)[C@@H]([C@@H]([C@H]([C@@H](C[C@H](CCCCCCC[C@]89C[C@H](C[C@]([C@H](O8)C[C@H](CCCCC[C@@H](O)[C@@H]([C@@H]([C@H]([C@@H]([C@@]%10([C@H]([C@@H]([C@H]([C@H](O%10)C[C@@H]([C@@H](\C(=C\[C@@H](C[C@H]([C@@H](C(N\C=C\C(NCCCO)=O)=O)O)C)O)\C)O)O)O)O)O)[H])O)O)O)O)C)(O9)C)C)O)O7)O)O)O)O)C)O)O)[H])O)O)O)O)O)O)O)O)O)=C)O)C)O
Compound: (4aS,10bR)-oxomaritidine(1+)
SMILES: C1(=C(C=C2C(=C1)[C@@]34[C@@]([NH+](C2)CC3)(CC(CC4)=O)[H])O)OC
Compound: (4aR,10bS)-oxomaritidine(1+)
SMILES: C1(=C(C=C2C(=C1)[C@]34[C@]([NH+](C2)CC3)(CC(CC4)=O)[H])O)OC
Compound: L-glycero-L-galacto-octuluronate
SMILES: C(O)C(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-]
Compound: L-glycero-L-galacto-octuluronate-1-phosphate
SMILES: C(OP(=O)([O-])[O-])C(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-]
Compound: tauroursocholate
SMILES: C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3([C@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@]4([H])[C@@H](CCC(NCCS([O-])(=O)=O)=O)C)[H])C)O)[H])C
Compound: flutropium
SMILES: [N@+]1([C@]2(C[C@H](OC(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)=O)C[C@@]1(CC2)[H])[H])(CCF)C
Compound: dibunic acid
SMILES: C=1(C=2C(=CC(=CC2)C(C)(C)C)C=CC1C(C)(C)C)S(O)(=O)=O
Compound: 2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one
SMILES: C1=C2C(=C(C3=C1C=C(C=C3O)O)O)C(C(C(C2)(CC(C)=O)O)O)=O
Compound: TAN-1612(1-)
SMILES: C=1(C2=C(C=C(C1)OC)C=C3C(=C2O)C(C4(C(C3)(CC(=C(C4=O)C(C)=O)[O-])O)O)=O)O
Compound: 3-acetyl-4a,6,7,9,12a-pentahydroxy-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate
SMILES: C=1(C2=C(C=C(C1)O)C=C3C(=C2O)C(C4(C(C3)(CC(=C(C4=O)C(C)=O)[O-])O)O)=O)O
Compound: (R)-efonidipine
SMILES: [C@@]1(C(=C(NC(=C1P2(OCC(CO2)(C)C)=O)C)C)C(OCCN(CC3=CC=CC=C3)C4=CC=CC=C4)=O)(C=5C=C(C=CC5)[N+](=O)[O-])[H]
Compound: (S)-efonidipine
SMILES: [C@]1(C(=C(NC(=C1P2(OCC(CO2)(C)C)=O)C)C)C(OCCN(CC3=CC=CC=C3)C4=CC=CC=C4)=O)(C=5C=C(C=CC5)[N+](=O)[O-])[H]
Compound: 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
SMILES: C1(C(=C(NC(=C1P2(OCC(CO2)(C)C)=O)C)C)C(OCCN(CC3=CC=CC=C3)C4=CC=CC=C4)=O)C=5C=C(C=CC5)[N+](=O)[O-]
Compound: (R)-clorprenaline
SMILES: C1(=C(Cl)C=CC=C1)[C@H](CNC(C)C)O
Compound: (S)-clorprenaline
SMILES: C1(=C(Cl)C=CC=C1)[C@@H](CNC(C)C)O
Compound: 1-(2-chlorophenyl)-2-isopropylaminoethanol
SMILES: C1(=C(Cl)C=CC=C1)C(CNC(C)C)O
Compound: halicin
SMILES: C=1(SC(=NN1)SC=2SC(=CN2)[N+](=O)[O-])N
Compound: NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-2)Man(a1-6)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAc
SMILES: [C@H]1(O[C@@H]([C@@H]([C@@H]([C@H]1O)O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)CO)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3CO)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)O[C@@H]6[C@H]([C@H](O[C@@H]7[C@H](O[C@@H](O)[C@@H]([C@H]7O)NC(=O)C)CO)O[C@H](CO)[C@H]6O)NC(C)=O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@@H]%10O[C@@H]([C@@H]([C@@H]([C@H]%10O)O[C@]%11(O[C@]([C@@H]([C@H](C%11)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O)O)CO)O)NC(=O)C)O)CO)O)O)NC(=O)C)O[C@@H]%12O[C@H]([C@H]([C@H]([C@@H]%12O)O)O)C
Compound: (-)-voacangine(1+)
SMILES: CC[C@H]1C[C@]2(C[C@]3(C4=C(CC[NH+](C2)[C@@]13[H])C=5C=C(C=CC5N4)OC)C(=O)OC)[H]
Compound: secodine(1+)
SMILES: C1=CC2=C(C=C1)C(CC[NH+]3C=C(CCC3)CC)=C(N2)C(C(OC)=O)=C
Compound: (-)-coronaridine(1+)
SMILES: [C@@]12([C@@]3([C@H](C[C@](C1)(C[NH+]3CCC=4C5=C(C=CC=C5)NC42)[H])CC)[H])C(OC)=O
Compound: cyclo[18]carbon
SMILES: C1#CC#CC#CC#CC#CC#CC#CC#CC#C1
Compound: angryline(1+)
SMILES: C1C(=C2[C@]3(C4=CC=CC=C4N2)[C@H]5[N@@+]1(CCC=C5CC)CC3)C(=O)OC
Compound: alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-2-D-GlcpNAc
SMILES: [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@@H]([C@@H](O[C@@H]([C@H]2O)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@@H]6CO)O[C@H]7[C@@H]([C@H](C(O[C@@H]7CO)O)NC(C)=O)O)NC(C)=O)O)O
Compound: dehydrosecodine(1+)
SMILES: C1=CC2=C(C=C1)C(CC[NH+]3C=C(C=CC3)CC)=C(N2)C(C(OC)=O)=C
Compound: 10-hydroxycoronaridine(1+)
SMILES: [C@@]12([C@@]3([C@H](C[C@](C1)(C[N+]3(CCC=4C5=C(C=CC(=C5)O)NC42)[H])[H])CC)[H])C(OC)=O
Compound: pyrafluprole
SMILES: C=1C(=CC(=C(C1Cl)N2N=C(C(=C2NCC3=NC=CN=C3)SCF)C#N)Cl)C(F)(F)F
Compound: (R)-flufiprole
SMILES: N1=C(C(=C(N1C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)NCC(C)=C)[S@@+]([O-])C(F)(F)F)C#N
Compound: (S)-flufiprole
SMILES: N1=C(C(=C(N1C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)NCC(C)=C)[S@+]([O-])C(F)(F)F)C#N
Compound: JWH-133
SMILES: C=1C(=CC2=C(C1)[C@]3([C@](C(O2)(C)C)(CC=C(C3)C)[H])[H])C(CCC)(C)C
Compound: HU-308
SMILES: [C@@H]1(C=C([C@@H]2C([C@H]1C2)(C)C)CO)C=3C(=CC(=CC3OC)C(CCCCCC)(C)C)OC
Compound: SR 144528
SMILES: [C@H]1(C([C@@H]2CC[C@]1(C2)C)(C)C)NC(=O)C3=NN(C(=C3)C4=CC(=C(Cl)C=C4)C)CC5=CC=C(C=C5)C
Compound: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(2-methylprop-2-en-1-yl)amino]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile
SMILES: N1=C(C(=C(N1C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)NCC(C)=C)S(=O)C(F)(F)F)C#N
Compound: secodine
SMILES: C1=CC2=C(C=C1)C(CCN3C=C(CCC3)CC)=C(N2)C(C(OC)=O)=C
Compound: 12-HPETE 2-glyceryl ester
SMILES: O=C(CCC/C=C\C\C=C/C=C/C(C/C=C\CCCCC)OO)OC(CO)CO
Compound: N-(3-{[alpha-D-GalN-(1->4)-alpha-D-GalN-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide
SMILES: [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)N)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)OCCCNC(CCOCCOCCOCCOCCOCCOCCNC(CCCC[C@H]3[C@]4(NC(N[C@]4(CS3)[H])=O)[H])=O)=O)N)O
Compound: 10-hydroxycoronaridine
SMILES: [C@@]12([C@@]3([C@H](C[C@](C1)(CN3CCC=4C5=C(C=CC(=C5)O)NC42)[H])CC)[H])C(OC)=O
Compound: ibogamine(1+)
SMILES: [C@H]12[C@@]3([C@H](C[C@](C1)(C[NH+]3CCC=4C5=C(C=CC=C5)NC42)[H])CC)[H]
Compound: noribogaine(1+)
SMILES: [C@@]12([C@@]3([C@H](C[C@](C1)(C[N+]3(CCC=4C5=C(C=CC(=C5)O)NC42)[H])[H])CC)[H])[H]
Compound: ibogaine(1+)
SMILES: [C@@]12([C@@]3([C@H](C[C@](C1)(C[N+]3(CCC=4C5=C(C=CC(=C5)OC)NC42)[H])[H])CC)[H])[H]
Compound: spectinomycin(1+)
SMILES: [C@@H]12[C@H](O[C@@]3(O[C@H](C)CC([C@@]3(O1)O)=O)[H])[C@H]([C@H]([NH2+]C)[C@@H]([C@@H]2NC)O)O
Compound: 9-O-adenylylspectinomycin zwitterion
SMILES: [C@@H]12[C@H](O[C@@]3(O[C@H](C)CC([C@@]3(O1)O)=O)[H])[C@H]([C@H]([NH2+]C)[C@@H]([C@@H]2NC)O)OP([O-])(OC[C@H]4O[C@H]([C@@H]([C@@H]4O)O)N5C6=C(C(=NC=N6)N)N=C5)=O
Compound: 6-O-adenylylstreptomycin(2+)
SMILES: C([C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C3=C(C(=NC=N3)N)N=C2)OP(O[C@H]4[C@@H]([C@H]([C@@H]([C@H]([C@@H]4O)O[C@@H]5O[C@H]([C@@]([C@H]5O[C@@H]6O[C@H]([C@@H]([C@H]([C@@H]6[NH2+]C)O)O)CO)(C=O)O)C)NC(=[NH2+])N)O)NC(N)=[NH2+])(=O)[O-]
Compound: N-(3-{[alpha-D-GalN-(1->4)-alpha-D-GalN-(1->4)-alpha-D-GalN-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide
SMILES: [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)N)O)N)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)OCCCNC(CCOCCOCCOCCOCCOCCOCCNC(CCCC[C@H]4[C@]5(NC(N[C@]5(CS4)[H])=O)[H])=O)=O)N)O
Compound: noribogaine
SMILES: [C@@]12([C@@]3([C@H](C[C@](C1)(CN3CCC=4C5=C(C=CC(=C5)O)NC42)[H])CC)[H])[H]
Compound: N-(3-{[alpha-D-GalN-(1->4)-alpha-D-GalN-(1->4)-alpha-D-GalN-(1->4)-alpha-D-GalN-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide
SMILES: [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)N)O)N)O)N)O[C@@H]4[C@@H]([C@H]([C@H](O[C@@H]4CO)OCCCNC(CCOCCOCCOCCOCCOCCOCCNC(CCCC[C@H]5[C@]6(NC(N[C@]6(CS5)[H])=O)[H])=O)=O)N)O
Compound: N-(3-{[alpha-D-GalN-(1->4)-alpha-D-GalN-(1->4)-alpha-D-GalN-(1->4)-alpha-D-GalN-(1->4)-alpha-D-GalN-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide
SMILES: [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)N)O)N)O)N)O)N)O[C@@H]5[C@@H]([C@H]([C@H](O[C@@H]5CO)OCCCNC(CCOCCOCCOCCOCCOCCOCCNC(CCCC[C@H]6[C@]7(NC(N[C@]7(CS6)[H])=O)[H])=O)=O)N)O
Compound: N-(3-{[alpha-D-GalN-(1->4)-alpha-D-GalN-(1->4)-alpha-D-GalN-(1->4)-alpha-D-GalN-(1->4)-alpha-D-GalN-(1->4)-alpha-D-GalN-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide
SMILES: [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)N)O)N)O)N)O)N)O)N)O[C@@H]6[C@@H]([C@H]([C@H](O[C@@H]6CO)OCCCNC(CCOCCOCCOCCOCCOCCOCCNC(CCCC[C@H]7[C@]8(NC(N[C@]8(CS7)[H])=O)[H])=O)=O)N)O
Compound: N-(3-{[alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide
SMILES: [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(C)=O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)OCCCNC(CCOCCOCCOCCOCCOCCOCCNC(CCCC[C@H]3[C@]4(NC(N[C@]4(CS3)[H])=O)[H])=O)=O)NC(C)=O)O
Compound: N-(3-{[alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide
SMILES: [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(C)=O)O)NC(C)=O)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)OCCCNC(CCOCCOCCOCCOCCOCCOCCNC(CCCC[C@H]4[C@]5(NC(N[C@]5(CS4)[H])=O)[H])=O)=O)NC(C)=O)O
Compound: N-(3-{[alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide
SMILES: [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(C)=O)O)NC(C)=O)O)NC(C)=O)O[C@@H]4[C@@H]([C@H]([C@H](O[C@@H]4CO)OCCCNC(CCOCCOCCOCCOCCOCCOCCNC(CCCC[C@H]5[C@]6(NC(N[C@]6(CS5)[H])=O)[H])=O)=O)NC(C)=O)O
Compound: N-(3-{[alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide
SMILES: [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(C)=O)O)NC(C)=O)O)NC(C)=O)O)NC(C)=O)O[C@@H]5[C@@H]([C@H]([C@H](O[C@@H]5CO)OCCCNC(CCOCCOCCOCCOCCOCCOCCNC(CCCC[C@H]6[C@]7(NC(N[C@]7(CS6)[H])=O)[H])=O)=O)NC(C)=O)O
Compound: (6xi)-12-methoxy-18-carbonyl-2alpha-ibogamin-6-ium
SMILES: [C@@]12([C@@]3([C@H](C[C@](C1)(C[N+]3(CCC=4C5=C(C=CC(=C5)O)NC42)[H])[H])CC)[H])C([O-])=O
Compound: N-(3-{[alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide
SMILES: [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)NC(C)=O)O)NC(C)=O)O)NC(C)=O)O)NC(C)=O)O)NC(C)=O)O[C@@H]6[C@@H]([C@H]([C@H](O[C@@H]6CO)OCCCNC(CCOCCOCCOCCOCCOCCOCCNC(CCCC[C@H]7[C@]8(NC(N[C@]8(CS7)[H])=O)[H])=O)=O)NC(C)=O)O
Compound: 1-octadecanoyl-2-(15-hydroxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine zwitterion
SMILES: C(C[NH3+])OP(=O)([O-])OC[C@H](OC(CCC/C=C\C/C=C\C/C=C\C=C\C(CCCCC)O)=O)COC(=O)CCCCCCCCCCCCCCCCC
Compound: ascofuranol
SMILES: C=1(C(=C(C(=C(C1Cl)C)C=O)O)C/C=C(/CC/C=C(\C)/[C@@]2(C[C@@H](C(O2)(C)C)O)[H])\C)O
Compound: 1-stearoyl-2-(15-hydroperoxyarachidonoyl)-sn-glycero-3-phosphoethanolamine zwitterion
SMILES: O=C(CCC/C=C\C/C=C\C/C=C\C=C\C(CCCCC)OO)O[C@@H](COP(OCC[NH3+])(=O)[O-])COC(=O)CCCCCCCCCCCCCCCCC
Compound: 1-stearoyl-2-(15-hydroperoxyarachidonoyl)-sn-glycero-3-phosphocholine zwitterion
SMILES: O=C(CCC/C=C\C/C=C\C\C=C/C=C/C(CCCCC)OO)O[C@@H](COP(OCC[N+](C)(C)C)(=O)[O-])COC(=O)CCCCCCCCCCCCCCCCC
Compound: 1-stearoyl-2-(15-hydroperoxyarachidonoyl)-sn-glycero-3-phospho-1D-myo-inositol(1-)
SMILES: O=C(CCC/C=C\C/C=C\C\C=C/C=C/C(CCCCC)OO)O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)[O-])COC(=O)CCCCCCCCCCCCCCCCC
Compound: 8-HPETE(1-)
SMILES: C(=C/C=C\C/C=C\CCCCC)\C(C/C=C\CCCC(=O)[O-])OO
Compound: 9-HPETE(1-)
SMILES: C(=C/C(C/C=C\C/C=C\CCCCC)OO)\C=C/CCCC(=O)[O-]
Compound: 9(S)-HPETE(1-)
SMILES: C(=C\[C@H](C/C=C\C/C=C\CCCCC)OO)/C=C\CCCC(=O)[O-]
Compound: 11-HPETE(1-)
SMILES: C(CCC/C=C\C/C=C\CC(/C=C/C=C\CCCCC)OO)(=O)[O-]
Compound: 15-HPETrE(1-)
SMILES: C(CCC(/C=C/C=C\C/C=C\CCCCCCC(=O)[O-])OO)CC
Compound: 9-HPODE(1-)
SMILES: C(CCCCCCCC(/C=C/C=C\CCCCC)OO)([O-])=O
Compound: N-nervonoyltaurine
SMILES: C(C(NCCS(O)(=O)=O)=O)CCCCCCCCCCCC/C=C\CCCCCCCC
Compound: N-acetyl-D-leucine
SMILES: [C@H](CC(C)C)(NC(=O)C)C(O)=O
Compound: 3-carboxy-1-hydroxypropylthiamine diphosphate
SMILES: Cc1ncc(C[n+]2c(C)c(CCOP(O)(=O)OP(O)(O)=O)sc2C(O)CCC(O)=O)c(N)n1
Compound: dehydrosecodine
SMILES: C1=CC2=C(C=C1)C(CCN3C=C(C=CC3)CC)=C(N2)C(C(OC)=O)=C
Compound: 5-methylorsellinic acid
SMILES: C=1(C=C(C(=C(C1C)C)C(=O)O)O)O
Compound: (3S)-3-{[3',4'-difluoro-5-({4'-fluoro-6-[(3S)-pyrrolidinium-3-yloxy][biphenyl]-3-yl}carbamoyl)[biphenyl]-2-yl]oxy}pyrrolidinium dichloride
SMILES: C1=CC(=CC(=C1O[C@H]2CC[NH2+]C2)C3=CC(=C(C=C3)F)F)C(=O)NC4=CC=C(C(=C4)C5=CC=C(C=C5)F)O[C@H]6CC[NH2+]C6.[Cl-].[Cl-]
Compound: 3-methylorsellinic acid
SMILES: C=1(C(=C(C(=C(C1)C)C(=O)O)O)C)O
Compound: 3-methylorsellinate
SMILES: C=1(C(=C(C(=C(C1)C)C(=O)[O-])O)C)O