smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@]1(OP(=O)([O-])[O-])C[C@@H](O)[C@@H](O)[C@H]([C@H](O)CO[P@](=O)([O-])O)O1 ZINC000029347777 207360064 /nfs/dbraw/zinc/36/00/64/207360064.db2.gz BNYGJJDTTAUJHL-BFHATVPZSA-N -4 2 398.150 -3.143 1 0 GAAFLL O=C([O-])[C@@]1(OP(=O)([O-])[O-])C[C@@H](O)[C@@H](O)[C@H]([C@H](O)CO[P@@](=O)([O-])O)O1 ZINC000029347777 207360058 /nfs/dbraw/zinc/36/00/58/207360058.db2.gz BNYGJJDTTAUJHL-BFHATVPZSA-N -4 2 398.150 -3.143 1 0 GAAFLL CC(=O)N[C@H]1[C@H](O)C[C@](O)(C(=O)[O-])O[C@@H]1[C@H](O)[C@H](O)CO[P@](=O)([O-])O ZINC000033807286 571746204 /nfs/dbraw/zinc/74/62/04/571746204.db2.gz SQMNIXJSBCSNCI-RUEXUQCSSA-N -2 2 389.250 -3.755 1 0 endogenous,in-man GAAFLL CC(=O)N[C@H]1[C@H](O)C[C@](O)(C(=O)[O-])O[C@@H]1[C@H](O)[C@H](O)CO[P@@](=O)([O-])O ZINC000033807286 571746199 /nfs/dbraw/zinc/74/61/99/571746199.db2.gz SQMNIXJSBCSNCI-RUEXUQCSSA-N -2 2 389.250 -3.755 1 0 endogenous,in-man GAAFLL CC(=O)N[C@H]1[C@H](O)C[C@@](O)(C(=O)[O-])O[C@@H]1[C@H](O)[C@H](O)CO[P@](=O)([O-])O ZINC000040164494 571756649 /nfs/dbraw/zinc/75/66/49/571756649.db2.gz SQMNIXJSBCSNCI-DTJAAUDXSA-N -2 2 389.250 -3.755 1 0 endogenous,in-man GAAFLL CC(=O)N[C@H]1[C@H](O)C[C@@](O)(C(=O)[O-])O[C@@H]1[C@H](O)[C@H](O)CO[P@@](=O)([O-])O ZINC000040164494 571756647 /nfs/dbraw/zinc/75/66/47/571756647.db2.gz SQMNIXJSBCSNCI-DTJAAUDXSA-N -2 2 389.250 -3.755 1 0 endogenous,in-man GAAFLL