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(/C=C\c1cccs1)c1ccc([O-])cc1[O-] ZINC000216725360 585025462 /nfs/dbraw/zinc/02/54/62/585025462.db2.gz HOJWEOLTZCQNJD-XQRVVYSFSA-N -2 3 246.287 3.055 20 30 BGEDHL