smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1n[n-]c(-c2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000085385984	179047010	/nfs/dbraw/zinc/04/70/10/179047010.db2.gz	BYNXIVUPNSSFQQ-UHFFFAOYSA-N	-2	3	278.224	1.262	40	5		CDBBHL
O=c1nc(C=Cc2ccncc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000409315625	364031894	/nfs/dbraw/zinc/03/18/94/364031894.db2.gz	NXEGYIKSYRJBRH-UPHRSURJSA-N	-2	3	260.209	1.361	40	5		CDBBHL
O=c1nc(C=CC=Cc2ccco2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000107842671	348741294	/nfs/dbraw/zinc/74/12/94/348741294.db2.gz	WTPFPSUVWWELGL-NKZTZDQQSA-N	-2	3	275.220	1.291	40	5		CDBBHL
O=C1[N-]C(=O)C(=Cc2cc([N+](=O)[O-])ccc2[O-])S1	ZINC000003109953	375541124	/nfs/dbraw/zinc/54/11/24/375541124.db2.gz	FORJIIJGVQHUQA-XBXARRHUSA-N	-2	3	266.234	1.624	40	5		CDBBHL
O=C([O-])c1cc(OCc2cccnc2)cc([N+](=O)[O-])c1[O-]	ZINC000216846094	390529537	/nfs/dbraw/zinc/52/95/37/390529537.db2.gz	YPNKXMFFTRNVFU-UHFFFAOYSA-N	-2	3	290.231	1.973	40	5		CDBBHL
COc1cc([N+](=O)[O-])cc(C=C2SC(=O)[N-]C2=O)c1[O-]	ZINC000214302671	349647103	/nfs/dbraw/zinc/64/71/03/349647103.db2.gz	NPXGNSKYOPJSER-FPYGCLRLSA-N	-2	3	296.260	1.633	40	5		CDBBHL
O=C([O-])c1cc([N+](=O)[O-])c(Br)cc1[O-]	ZINC000045957458	304227640	/nfs/dbraw/zinc/22/76/40/304227640.db2.gz	GRPPMTYOPCAAMJ-UHFFFAOYSA-N	-2	3	262.015	1.761	40	5		CDBBHL
O=c1nc(C=Cc2cccc(O)c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000343042838	152008888	/nfs/dbraw/zinc/00/88/88/152008888.db2.gz	YFMWRWWIKISZCG-PLNGDYQASA-N	-2	3	275.220	1.672	40	5		CDBBHL
CCOC([O-])=NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000036712365	362844828	/nfs/dbraw/zinc/84/48/28/362844828.db2.gz	DFDSFNPWZMDNOR-UHFFFAOYSA-N	-2	3	285.281	1.743	40	5		CDBBHL
CCOC(=O)[N-]C(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000036712365	362844830	/nfs/dbraw/zinc/84/48/30/362844830.db2.gz	DFDSFNPWZMDNOR-UHFFFAOYSA-N	-2	3	285.281	1.743	40	5		CDBBHL
CCOC(=O)c1cc2c([n-]1)c([O-])ccc2[N+](=O)[O-]	ZINC000021982371	171344389	/nfs/dbraw/zinc/34/43/89/171344389.db2.gz	HXABICADGMAEEA-UHFFFAOYSA-N	-2	3	250.210	1.958	40	5		CDBBHL
O=C([O-])c1csc([N-]c2ccccc2[N+](=O)[O-])n1	ZINC000604941575	345459443	/nfs/dbraw/zinc/45/94/43/345459443.db2.gz	IYRUTFRSFFVKMI-UHFFFAOYSA-N	-2	3	265.250	1.915	40	5		CDBBHL
O=c1ccc(O)c2oc3cc([O-])cc([O-])c3c([O-])c1-2	ZINC000006092269	280390839	/nfs/dbraw/zinc/39/08/39/280390839.db2.gz	MPXAWSABMVLIBU-UHFFFAOYSA-N	-3	3	260.201	1.769	40	5	biogenic,in-vitro	CDBBHL
O=c1[n-]c(C=Cc2ccccc2[O-])nc([O-])c1[N+](=O)[O-]	ZINC000016448952	374266002	/nfs/dbraw/zinc/26/60/02/374266002.db2.gz	NDKNAWUDSBJNSB-AATRIKPKSA-N	-3	3	275.220	1.260	40	5		CDBBHL
COc1cc([N+](=O)[O-])cc(C=C2NC(=S)[N-]C2=O)c1[O-]	ZINC000016194933	367784876	/nfs/dbraw/zinc/78/48/76/367784876.db2.gz	BBKOXHZSNGEVIX-CLTKARDFSA-N	-2	3	295.276	1.066	40	5		CDBBHL