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(C=C([O-])c1ccc(Cl)cc1)c1ccc2ccccc2c1[O-] ZINC000100813723 563603048 /nfs/dbraw/zinc/60/30/48/563603048.db2.gz SSNVHYPNFKCUOX-UHFFFAOYSA-N -2 1 324.763 4.655 50 0 DJAAML