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([N-]c1cc(Br)ccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000583652929 569009350 /nfs/dbraw/zinc/00/93/50/569009350.db2.gz FNKAYZMDSJZBKT-UHFFFAOYSA-N -1 3 406.055 4.434 10 5 HIBEHM