smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000016183429 563013047 /nfs/dbraw/zinc/01/30/47/563013047.db2.gz KAWKOCYHRZERMG-UHFFFAOYSA-N -1 2 497.511 4.055 3 5 JIBFLM