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-])CN1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O ZINC000409122946 570728569 /nfs/dbraw/zinc/72/85/69/570728569.db2.gz CZAZRQGRLXAXAB-KRXBUXKQSA-N -1 2 358.715 2.075 40 5 FEBBLM