smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)[N-]NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-] ZINC000226856615 959903881 /nfs/dbraw/zinc/90/38/81/959903881.db2.gz AKZOYANTNPQIPN-UHFFFAOYSA-N -2 0 395.349 0.925 40 50 GCGBRL