smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(OC)cc(-c2nc(SC(=Cc3cc(Br)cc([N+](=O)[O-])c3O)C(=O)[O-])n[nH]2)c1 ZINC000408631049 572286956 /nfs/dbraw/zinc/28/69/56/572286956.db2.gz BSFICYASGCNRFW-UUASQNMZSA-N -1 2 523.321 4.083 40 5 KIBBLM COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(Br)cc([N+](=O)[O-])c3O)C(=O)[O-])o2)c1 ZINC000408632200 572288470 /nfs/dbraw/zinc/28/84/70/572288470.db2.gz HXRRZYKDYNUTFH-UUASQNMZSA-N -1 2 524.305 4.348 40 5 KIBBLM