smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC(=O)C(O)=C2NC(=S)[N-]C2=O)c([N+](=O)[O-])c1 ZINC000102987055 374898042 /nfs/dbraw/zinc/89/80/42/374898042.db2.gz PXMHQJUCBBESNA-QMMMGPOBSA-N -1 1 322.302 -0.216 40 5 DBBBMM Cc1ccc(NC(=O)C(O)=C2NC(=S)[N-]C2=O)c([N+](=O)[O-])c1 ZINC000102987053 374897406 /nfs/dbraw/zinc/89/74/06/374897406.db2.gz PXMHQJUCBBESNA-MRVPVSSYSA-N -1 1 322.302 -0.216 40 5 DBBBMM