smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1	ZINC000002984758	552250410	/nfs/dbraw/zinc/25/04/10/552250410.db2.gz	XGHUZAFEOJZJSR-UHFFFAOYSA-N	-2	1	512.363	3.959	50	5		KHBAML
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(I)c1OCc1ccccc1	ZINC000059586557	554407416	/nfs/dbraw/zinc/40/74/16/554407416.db2.gz	AMOZZGGPBFBHAO-BQYQJAHWSA-N	-2	1	521.267	3.746	50	5		KHBAML
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1)c1ccc(Br)cc1	ZINC000102931816	555159442	/nfs/dbraw/zinc/15/94/42/555159442.db2.gz	CAMIAJHCTQHMEQ-UHFFFAOYSA-N	-2	1	535.328	3.903	50	5		KHBAML
O=S(=O)([O-])c1ccc2c(c1)-c1nc3[nH]c(nc4nc(nc5[nH]c(nc-2n1)c1cc(S(=O)(=O)[O-])ccc15)-c1cc(S(=O)(=O)[O-])ccc1-4)c1cc(S(=O)(=O)[O-])ccc13	ZINC000169295270	1066328415	/nfs/dbraw/zinc/32/84/15/1066328415.db2.gz	NUSQOFAKCBLANB-UHFFFAOYSA-N	-4	1	834.808	3.856	50	5		KHBAML