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-])C(=O)C=C([O-])c1ccccc1 100763665 171145445 /nfs/dbraw/zinc/14/54/45/171145445.db2.gz QXZSEJLYYQDPRN-VURMDHGXSA-N -2 0 192.170 1.239 1 30 ADEFRL