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-])COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000030840515	202199529	/nfs/dbraw/zinc/19/95/29/202199529.db2.gz	HLJNIPMFPFDHFQ-UTCJRWHESA-N	-2	0	333.256	0.605	50	5		ECBARL
NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1	ZINC000012620605	436055145	/nfs/dbraw/zinc/05/51/45/436055145.db2.gz	MBTQOIIKKSIKEJ-UHFFFAOYSA-N	-2	0	327.274	0.793	50	5		ECBARL
O=C([O-])[C@@H](CS(=O)(=O)[O-])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004517465	210211171	/nfs/dbraw/zinc/21/11/71/210211171.db2.gz	ZLEWNRPPGPGZJT-SSDOTTSWSA-N	-2	0	335.250	0.256	50	5		ECBARL
O=C([O-])[C@H](CS(=O)(=O)[O-])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004517463	435981351	/nfs/dbraw/zinc/98/13/51/435981351.db2.gz	ZLEWNRPPGPGZJT-ZETCQYMHSA-N	-2	0	335.250	0.256	50	5		ECBARL
Nc1cc2c(cc([N+](=O)[O-])cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000002243084	435963978	/nfs/dbraw/zinc/96/39/78/435963978.db2.gz	PEFKYEIJIGWGBJ-UHFFFAOYSA-N	-2	0	348.314	0.824	50	5		ECBARL
Cn1c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)cc2n(C)c1=O	ZINC000016361660	436088943	/nfs/dbraw/zinc/08/89/43/436088943.db2.gz	JANMKJRBGNAGCL-XQRVVYSFSA-N	-2	0	343.299	0.745	50	5		ECBARL
Cn1c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)cc2n(C)c1=O	ZINC000009234911	211057061	/nfs/dbraw/zinc/05/70/61/211057061.db2.gz	JANMKJRBGNAGCL-GQCTYLIASA-N	-2	0	343.299	0.745	50	5		ECBARL
O=C([O-])CCC(=O)Nc1ccc2nc3c(=O)[n-]c(=O)nc-3[nH]c2c1	ZINC000013957338	436069020	/nfs/dbraw/zinc/06/90/20/436069020.db2.gz	YMBOHZNYNRVVFN-UHFFFAOYSA-N	-2	0	329.272	0.375	50	5		ECBARL