smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc(Cl)cc1/C=N/c1c([O-])ccc2ccccc21 ZINC000003196380 567852123 /nfs/dbraw/zinc/85/21/23/567852123.db2.gz WNKDDINHXJTPNY-VXLYETTFSA-N -2 3 297.741 4.655 40 30 CJEBHL