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-])c1ccccc1C1=C([O-])C(=O)C(c2ccccc2C(=O)[O-])C(=O)C1=O ZINC000001729920 206390054 /nfs/dbraw/zinc/39/00/54/206390054.db2.gz YUAMKWYYHCKCSD-UHFFFAOYSA-N -3 2 380.308 2.473 40 30 GEEBLL