smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccn2c(/C=C/C(=O)[O-])c(-c3ccc(Cl)cc3)[nH+]c12 ZINC000002599602 563914049 /nfs/dbraw/zinc/91/40/49/563914049.db2.gz XHTGKZPNKXGKPV-CMDGGOBGSA-N 0 2 312.756 4.061 30 0 DIACLN