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-])c1c2ccccc2c2c3ccccc3ccc2c1C(=O)[O-] ZINC000000392654 180775919 /nfs/dbraw/zinc/77/59/19/180775919.db2.gz WBPWKPIHXABHND-UHFFFAOYSA-N -2 0 316.312 4.543 50 5 DJBARL