smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)C(=Cc2ccccc2C=C2C(=O)[N-]C(=O)NC2=O)C(=O)N1 ZINC000003068107 484964257 /nfs/dbraw/zinc/96/42/57/484964257.db2.gz LCWZESJNVQYSMT-UHFFFAOYSA-N -2 3 354.278 -0.815 40 10 FBCBHL O=C([O-])C[C@@H](C(=O)[O-])[C@H]1c2c(O)c([O-])c(O)cc2C(=O)O[C@@H]1C(=O)[O-] ZINC000013385490 484791375 /nfs/dbraw/zinc/79/13/75/484791375.db2.gz COZMWVAACFYLBI-HSCCNWRBSA-N -4 3 356.239 -0.314 40 10 biogenic,in-man FBCBHL O=C([O-])C[C@@H](C(=O)[O-])[C@@H]1c2c(O)c([O-])c(O)cc2C(=O)O[C@@H]1C(=O)[O-] ZINC000013385491 484792126 /nfs/dbraw/zinc/79/21/26/484792126.db2.gz COZMWVAACFYLBI-ZGFONDPWSA-N -4 3 356.239 -0.314 40 10 biogenic,in-man FBCBHL