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-])Cc1ccc([N+](=O)[O-])cc1[O-] 82725998 537885082 /nfs/dbraw/zinc/88/50/82/537885082.db2.gz CTTYVUAQIUJFTK-UHFFFAOYSA-N -2 1 197.146 0.928 20 5 ACBDML