smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(/C(C=O)=C\c2ccc(O)cc2OC)c([O-])c1 ZINC000064513032 184298703 /nfs/dbraw/zinc/29/87/03/184298703.db2.gz QETFXXXVFOYOIP-GHXNOFRVSA-N -1 3 300.310 2.855 1 50 DFGFHM