smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([O-])c2c(c1)C(=O)c1c3cc[nH]c(=O)c3c3c(c1C2=O)O[C@]1(CC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000085568750 291639450 /nfs/dbraw/zinc/63/94/50/291639450.db2.gz UFDQXPZPPVYEAO-WBMKZDILSA-N -1 3 509.467 -0.187 1 10 biogenic,in-vitro KBCFHM COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](NC(=O)CNC(=O)CN(C)C)[C@H](O)[C@H](C)O1 ZINC000160806430 562849080 /nfs/dbraw/zinc/84/90/80/562849080.db2.gz YETCVLRZRHJPFM-VTJVMDQPSA-N -1 3 669.684 -0.136 1 10 KBCFHM COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](NC(=O)CNC(=O)CN(C)C)[C@H](O)[C@H](C)O1 ZINC000160806430 562849079 /nfs/dbraw/zinc/84/90/79/562849079.db2.gz YETCVLRZRHJPFM-VTJVMDQPSA-N -1 3 669.684 -0.136 1 10 KBCFHM