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-])c1cc([O-])c2cc([N+](=O)[O-])ccc2c1 ZINC000039286690 372928855 /nfs/dbraw/zinc/92/88/55/372928855.db2.gz DMHYMOJTAGLZHZ-UHFFFAOYSA-N -2 1 233.179 2.152 10 5 BEBEML