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-])c1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2)cc1 ZINC000390824709 526380651 /nfs/dbraw/zinc/38/06/51/526380651.db2.gz PMILLHFEZGVFEZ-UHFFFAOYSA-N -1 0 404.304 4.512 10 5 HJBERM CCN1CCCc2cc3nc4cc5c(cc4[o+]c3cc21)N(CCCC(=O)[O-])CCC5 ZINC000022064253 132474252 /nfs/dbraw/zinc/47/42/52/132474252.db2.gz PPHZUAWXHMGPCR-UHFFFAOYSA-O -1 0 406.506 4.652 10 5 in-vitro HJBERM