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-])c1cc2ccccc2c([N+](=O)[O-])c1O ZINC000000208488 344638889 /nfs/dbraw/zinc/63/88/89/344638889.db2.gz WLAMQCOVSYQBOE-UHFFFAOYSA-N -1 2 233.179 2.152 50 5 BEBALM