smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(O)c2c(=O)cc3c(c-2o1)C(=O)c1c(O)cc([O-])cc1C3=O ZINC000014768194 201059473 /nfs/dbraw/zinc/05/94/73/201059473.db2.gz AWDAPFGGFWZKGB-UHFFFAOYSA-N -3 2 338.271 1.994 1 10 in-vitro EDCFLL