smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]c(=O)n(C(=C(Cl)Br)n2cc([N+](=O)[O-])c(=O)[n-]c2=O)cc1[N+](=O)[O-] ZINC000008934182 554828642 /nfs/dbraw/zinc/82/86/42/554828642.db2.gz GKJNFEHCZGXDCM-UHFFFAOYSA-N -2 0 451.533 0.110 50 5 JCBARL