smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([O-])c([N+](=O)[O-])c([O-])c1 31749780 343094263 /nfs/dbraw/zinc/09/42/63/343094263.db2.gz VJUITVCKIWYTQX-UHFFFAOYSA-N -2 3 169.136 1.314 40 5 ADBBHL