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-])[C@@H]1CS[C@H](c2ccc(O)c([N+](=O)[O-])c2)N1	ZINC000000085504	358391839	/nfs/dbraw/zinc/39/18/39/358391839.db2.gz	WHTBIMRPVIAQET-IMTBSYHQSA-N	-1	2	270.266	1.089	50	5		CDBALM
O=C([O-])[C@H]1CS[C@H](c2ccc(O)c([N+](=O)[O-])c2)N1	ZINC000000085496	358395365	/nfs/dbraw/zinc/39/53/65/358395365.db2.gz	WHTBIMRPVIAQET-HZGVNTEJSA-N	-1	2	270.266	1.089	50	5		CDBALM
C[C@H](CC(=O)[O-])CC(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000000207920	298309912	/nfs/dbraw/zinc/30/99/12/298309912.db2.gz	XRLXFTGPUWBHNF-ZETCQYMHSA-N	-1	2	282.252	1.740	50	5		CDBALM
O=C([O-])c1cc(Br)cc([N+](=O)[O-])c1O	ZINC000004014522	304221122	/nfs/dbraw/zinc/22/11/22/304221122.db2.gz	JNYJGSJKQMVWRL-UHFFFAOYSA-N	-1	2	262.015	1.761	50	5		CDBALM
O=C([O-])c1nsnc1-c1cc([N+](=O)[O-])ccc1O	ZINC000016385896	262025194	/nfs/dbraw/zinc/02/51/94/262025194.db2.gz	RLUDIMCZTNAWCS-UHFFFAOYSA-N	-1	2	267.222	1.517	50	5		CDBALM
C[C@@H](CC(=O)[O-])CC(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000000207922	295831233	/nfs/dbraw/zinc/83/12/33/295831233.db2.gz	XRLXFTGPUWBHNF-SSDOTTSWSA-N	-1	2	282.252	1.740	50	5		CDBALM
O=C([O-])CCCC(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000004917983	170041269	/nfs/dbraw/zinc/04/12/69/170041269.db2.gz	ZZUDSUAHNMJDLR-UHFFFAOYSA-N	-1	2	268.225	1.494	50	5		CDBALM
O=C([O-])[C@@H]1CS[C@@H](c2ccc(O)c([N+](=O)[O-])c2)N1	ZINC000000085501	358392094	/nfs/dbraw/zinc/39/20/94/358392094.db2.gz	WHTBIMRPVIAQET-RCOVLWMOSA-N	-1	2	270.266	1.089	50	5		CDBALM
O=C([O-])CCC(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000000038849	355881446	/nfs/dbraw/zinc/88/14/46/355881446.db2.gz	OEARXQDXBRFQKR-UHFFFAOYSA-N	-1	2	254.198	1.104	50	5		CDBALM
O=C([O-])[C@H]1CS[C@@H](c2ccc(O)c([N+](=O)[O-])c2)N1	ZINC000000085492	358391644	/nfs/dbraw/zinc/39/16/44/358391644.db2.gz	WHTBIMRPVIAQET-MUWHJKNJSA-N	-1	2	270.266	1.089	50	5		CDBALM