smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=Cc1c(C(=O)[O-])cc([O-])c(O)c1O 224537615 573677303 /nfs/dbraw/zinc/67/73/03/573677303.db2.gz HTSMVAGZIZZMGA-UHFFFAOYSA-N -2 1 198.130 0.314 20 10 ACCDML