smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc2nc3c4ccc(C(=O)[O-])c5c(C(=O)[O-])ccc(c(=O)n3c2c1)c45 ZINC000005553366 220881723 /nfs/dbraw/zinc/88/17/23/220881723.db2.gz RJAIGJKLHGILBT-UHFFFAOYSA-N -2 0 383.319 2.860 10 30 GFEERL COC(=O)C(=N[N-]c1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1)[N+](=O)[O-] ZINC000058973617 522740113 /nfs/dbraw/zinc/74/01/13/522740113.db2.gz PEWYEBULSMHPEC-XLNRJJMWSA-N -2 0 394.343 2.775 10 30 GFEERL