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@@H]1O[C@H](Oc2ccc3nc4ccc(=O)cc-4oc3c2)[C@@H](O)[C@H](O)[C@H]1O ZINC000253530802 211992086 /nfs/dbraw/zinc/99/20/86/211992086.db2.gz GAWFFHQPERAPGH-QFXBJFAPSA-N -1 0 389.316 -0.436 50 5 GBBARM O=C([O-])[C@@H]1O[C@@H](Oc2ccc3nc4ccc(=O)cc-4oc3c2)[C@@H](O)[C@H](O)[C@H]1O ZINC000253530803 209044267 /nfs/dbraw/zinc/04/42/67/209044267.db2.gz GAWFFHQPERAPGH-XLKGFZLASA-N -1 0 389.316 -0.436 50 5 GBBARM O=C1[N-]C(=O)C2(Oc3[nH]c(=O)[nH]c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)C(=O)N1 ZINC000263587043 570928608 /nfs/dbraw/zinc/92/86/08/570928608.db2.gz BJDQUZSNALIRGM-MRVPVSSYSA-N -1 0 387.264 -0.575 50 5 GBBARM O=C1[N-]C(=O)C2(Oc3[nH]c(=O)[nH]c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)C(=O)N1 ZINC000263587044 206287231 /nfs/dbraw/zinc/28/72/31/206287231.db2.gz BJDQUZSNALIRGM-QMMMGPOBSA-N -1 0 387.264 -0.575 50 5 GBBARM