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-])c1ccc(-c2c3cc(Cl)c([O-])cc3oc3cc(=O)c(Cl)cc2-3)c(C(=O)[O-])c1 ZINC000025784175 557226472 /nfs/dbraw/zinc/22/64/72/557226472.db2.gz LJCGOJGXDKKLKN-UHFFFAOYSA-N -3 0 445.210 4.974 50 5 IJBARL