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-])c1cc([N+](=O)[O-])cc(C(=O)[O-])c1[O-]	ZINC000039333317	359621848	/nfs/dbraw/zinc/62/18/48/359621848.db2.gz	MLPKVXMBLCQDPZ-UHFFFAOYSA-N	-3	3	227.128	0.697	50	5		BCBAHL
O=[N+]([O-])c1ccc(OS(=O)(=O)[O-])c([O-])c1	ZINC000004261905	182938835	/nfs/dbraw/zinc/93/88/35/182938835.db2.gz	ZVUSRLPQGXIZPO-UHFFFAOYSA-N	-2	3	235.173	0.482	50	5		BCBAHL
O=[N+]([O-])c1cc([O-])cc([N+](=O)[O-])c1[O-]	ZINC000003080634	344432127	/nfs/dbraw/zinc/43/21/27/344432127.db2.gz	LXYNWFIRAZCOKN-UHFFFAOYSA-N	-2	3	200.106	0.914	50	5		BCBAHL
Cc1[n-]c(=O)c(C(=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000000140411	342676708	/nfs/dbraw/zinc/67/67/08/342676708.db2.gz	GJSAGPKAERRLKB-UHFFFAOYSA-N	-2	3	212.161	0.598	50	5		BCBAHL
COc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1[O-]	ZINC000012418415	350641547	/nfs/dbraw/zinc/64/15/47/350641547.db2.gz	LLGWEMLOSOXAFB-UHFFFAOYSA-N	-2	3	237.175	0.489	50	5		BCBAHL
COC(=O)c1cc([N+](=O)[O-])c([O-])cc1[O-]	ZINC000034638869	385653769	/nfs/dbraw/zinc/65/37/69/385653769.db2.gz	RTNOQYZDKMGQGE-UHFFFAOYSA-N	-2	3	213.145	0.793	50	5		BCBAHL
CCOC(=O)c1c([O-])c([N+](=O)[O-])c(C)[n-]c1=O	ZINC000062714213	170289405	/nfs/dbraw/zinc/28/94/05/170289405.db2.gz	MSOMAFOTDFFXAP-UHFFFAOYSA-N	-2	3	242.187	0.474	50	5		BCBAHL
O=C([O-])c1cc([N+](=O)[O-])cc2n[n-]nc21	ZINC000001309547	182559175	/nfs/dbraw/zinc/55/91/75/182559175.db2.gz	JLCPTYPYZSGOJQ-UHFFFAOYSA-N	-2	3	208.133	0.564	50	5		BCBAHL
O=C([O-])c1cc([N+](=O)[O-])cc2c1[n-][n-][n+]2=O	ZINC000334157754	526355285	/nfs/dbraw/zinc/35/52/85/526355285.db2.gz	BVXHXSGRRYIKJU-UHFFFAOYSA-O	-2	3	225.140	0.017	50	5		BCBAHL
COc1cc([N+](=O)[O-])cc(-c2nn[n-]n2)c1[O-]	ZINC000013913985	175017912	/nfs/dbraw/zinc/01/79/12/175017912.db2.gz	QGSDWYYWVGDZDH-UHFFFAOYSA-N	-2	3	237.175	0.489	50	5		BCBAHL