smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc2oc([N-]c3nc4c(cc(OC)cc4[N+](=O)[O-])s3)nc2c1	ZINC000057352596	571342650	/nfs/dbraw/zinc/34/26/50/571342650.db2.gz	OUOYGIYOHXBVOH-UHFFFAOYSA-N	-1	0	370.390	4.660	40	5		FJBBRM
COc1cccc(-c2cc(C(=O)[O-])c3cc4ccccc4cc3n2)c1OC	ZINC000001766684	204018355	/nfs/dbraw/zinc/01/83/55/204018355.db2.gz	NHUNVVXAHAGUTO-UHFFFAOYSA-N	-1	0	359.381	4.770	40	5		FJBBRM
O=C(Nc1ccc([N+](=O)[O-])cc1[O-])C1[C@@H]2CC/C=C\CC/C=C/CC[C@H]12	ZINC000004595385	204149159	/nfs/dbraw/zinc/14/91/59/204149159.db2.gz	YWCQKKGLXGBROQ-CJSKEXKKSA-N	-1	0	356.422	4.568	40	5		FJBBRM
O=C(Nc1ccc([N+](=O)[O-])cc1[O-])C1[C@H]2CC/C=C/CC/C=C\CC[C@H]12	ZINC000005344249	204204354	/nfs/dbraw/zinc/20/43/54/204204354.db2.gz	YWCQKKGLXGBROQ-OYASFASXSA-N	-1	0	356.422	4.568	40	5		FJBBRM
CCc1ccc2oc([N-]c3nc4c(cc([N+](=O)[O-])cc4C)s3)nc2c1	ZINC000057352712	571342615	/nfs/dbraw/zinc/34/26/15/571342615.db2.gz	FIYRSPVEEZZTBS-UHFFFAOYSA-N	-1	0	354.391	4.960	40	5		FJBBRM
O=C([O-])/C(=C/c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000001725988	210368034	/nfs/dbraw/zinc/36/80/34/210368034.db2.gz	KIBRLGQDGADSDK-NTUHNPAUSA-N	-1	0	371.698	4.892	40	5		FJBBRM
COc1cc([N+](=O)[O-])cc2sc([N-]c3nc4cc(C)c(C)cc4o3)nc21	ZINC000057352702	571342604	/nfs/dbraw/zinc/34/26/04/571342604.db2.gz	UTYYCUQHLTWFEJ-UHFFFAOYSA-N	-1	0	370.390	4.715	40	5		FJBBRM
CCc1ccc2oc([N-]c3nc4c(cc(C)cc4[N+](=O)[O-])s3)nc2c1	ZINC000057352618	571342643	/nfs/dbraw/zinc/34/26/43/571342643.db2.gz	OCVFOKZDXNIDDD-UHFFFAOYSA-N	-1	0	354.391	4.960	40	5		FJBBRM
O=C([O-])/C(=C\c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000001725989	204018442	/nfs/dbraw/zinc/01/84/42/204018442.db2.gz	KIBRLGQDGADSDK-QPEQYQDCSA-N	-1	0	371.698	4.892	40	5		FJBBRM
Cc1cc([N-]C(=S)SCc2ccc(F)cc2)c([N+](=O)[O-])cc1C	ZINC000006484361	204249171	/nfs/dbraw/zinc/24/91/71/204249171.db2.gz	FYDYCTIWSSSURB-UHFFFAOYSA-N	-1	0	350.440	4.981	40	5		FJBBRM
COc1cc([N+](=O)[O-])cc2sc([N-]c3nc4ccc(C)c(C)c4o3)nc21	ZINC000057352700	571342629	/nfs/dbraw/zinc/34/26/29/571342629.db2.gz	NKESMXDQOYVVRO-UHFFFAOYSA-N	-1	0	370.390	4.715	40	5		FJBBRM
O=[N+]([O-])c1ccc([O-])c(/C=C(\c2nc3ccccc3[nH]2)c2ccccc2)c1	ZINC000036208984	204367622	/nfs/dbraw/zinc/36/76/22/204367622.db2.gz	XTWKRNXBXZPMPD-LGMDPLHJSA-N	-1	0	357.369	4.766	40	5		FJBBRM
CC(=O)Nc1ccc(-c2cc(C(=O)[O-])c3cc4ccccc4cc3n2)cc1	ZINC000001722559	210368030	/nfs/dbraw/zinc/36/80/30/210368030.db2.gz	OJVOTJROKBYRMX-UHFFFAOYSA-N	-1	0	356.381	4.712	40	5	in-vitro	FJBBRM
COc1cc([N+](=O)[O-])cc2sc([N-]c3nc4cc(C)cc(C)c4o3)nc21	ZINC000057352699	518141865	/nfs/dbraw/zinc/14/18/65/518141865.db2.gz	RODJUHKLRQOGBS-UHFFFAOYSA-N	-1	0	370.390	4.715	40	5		FJBBRM
Cc1noc(/C=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)c1[N+](=O)[O-]	ZINC000408541389	570567730	/nfs/dbraw/zinc/56/77/30/570567730.db2.gz	CMUYPNQWNDWDEN-DAXSKMNVSA-N	-1	0	374.736	4.673	40	5		FJBBRM
COc1cc2sc([N-]c3nc4cc(C)c(C)cc4o3)nc2c([N+](=O)[O-])c1	ZINC000057352587	571342619	/nfs/dbraw/zinc/34/26/19/571342619.db2.gz	NUKSNKGCKAIVAH-UHFFFAOYSA-N	-1	0	370.390	4.715	40	5		FJBBRM
O=C([O-])c1ccc(CNc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1	ZINC000008702229	571055456	/nfs/dbraw/zinc/05/54/56/571055456.db2.gz	RSZXDJNYXOVSCX-UHFFFAOYSA-N	-1	0	370.386	4.649	40	5		FJBBRM
COc1cc2sc([N-]c3nc4ccccc4s3)nc2c([N+](=O)[O-])c1	ZINC000057352475	571342614	/nfs/dbraw/zinc/34/26/14/571342614.db2.gz	WZGBFYWYWOHGSS-UHFFFAOYSA-N	-1	0	358.404	4.566	40	5		FJBBRM
O=c1cc(C(F)(F)F)[n-]c2c3ncccc3c3nc4ccccc4nc3c12	ZINC000008628797	207239444	/nfs/dbraw/zinc/23/94/44/207239444.db2.gz	MQPRZWVXENHHJN-UHFFFAOYSA-N	-1	0	366.302	4.604	40	5		FJBBRM
O=C(Nc1ccc([N+](=O)[O-])cc1[O-])C1[C@@H]2CC/C=C/CC/C=C\CC[C@H]12	ZINC000004595386	571098503	/nfs/dbraw/zinc/09/85/03/571098503.db2.gz	YWCQKKGLXGBROQ-IMUUNTMGSA-N	-1	0	356.422	4.568	40	5		FJBBRM
O=C([O-])c1cc([N+](=O)[O-])ccc1Nc1ccc(Oc2ccccc2)cc1	ZINC000408712884	570572808	/nfs/dbraw/zinc/57/28/08/570572808.db2.gz	YVHDIEVVXNTWQX-UHFFFAOYSA-N	-1	0	350.330	4.829	40	5		FJBBRM
O=C([O-])c1ccc(Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1	ZINC000222632595	571145294	/nfs/dbraw/zinc/14/52/94/571145294.db2.gz	HYLSMEDPSQOKCM-UHFFFAOYSA-N	-1	0	350.330	4.829	40	5		FJBBRM
CCc1ccc2oc([N-]c3nc4c(cc([N+](=O)[O-])cc4OC)s3)nc2c1	ZINC000057352695	571342616	/nfs/dbraw/zinc/34/26/16/571342616.db2.gz	YWVQKFOKMSYFQE-UHFFFAOYSA-N	-1	0	370.390	4.660	40	5		FJBBRM
O=C(Nc1ccc([N+](=O)[O-])cc1[O-])C1[C@@H]2CC/C=C/CC/C=C\CC[C@@H]12	ZINC000004595387	571098536	/nfs/dbraw/zinc/09/85/36/571098536.db2.gz	YWCQKKGLXGBROQ-UFBKQNNJSA-N	-1	0	356.422	4.568	40	5		FJBBRM
COc1ccc(CSC(=S)[N-]c2cc(C)c(C)cc2[N+](=O)[O-])cc1	ZINC000006484363	571201792	/nfs/dbraw/zinc/20/17/92/571201792.db2.gz	GRZJELXUKMCSTN-UHFFFAOYSA-N	-1	0	362.476	4.850	40	5		FJBBRM
COc1cc2sc([N-]c3nc4ccc(C)c(C)c4o3)nc2c([N+](=O)[O-])c1	ZINC000057352590	571342621	/nfs/dbraw/zinc/34/26/21/571342621.db2.gz	NZSQLXOXBIONLR-UHFFFAOYSA-N	-1	0	370.390	4.715	40	5		FJBBRM
COc1cc([N+](=O)[O-])cc2sc([N-]c3nc4ccccc4s3)nc21	ZINC000057352469	571342622	/nfs/dbraw/zinc/34/26/22/571342622.db2.gz	GUTFBBQBXAPSSS-UHFFFAOYSA-N	-1	0	358.404	4.566	40	5		FJBBRM
COc1cc2sc([N-]c3nc4cc(C)cc(C)c4o3)nc2c([N+](=O)[O-])c1	ZINC000057352585	571342626	/nfs/dbraw/zinc/34/26/26/571342626.db2.gz	JSVWUQOYNNFNIL-UHFFFAOYSA-N	-1	0	370.390	4.715	40	5		FJBBRM
CC(C)(C)OC(=O)N[C@H](Cc1c2ccccc2cc2ccccc21)C(=O)[O-]	ZINC000002389726	571321181	/nfs/dbraw/zinc/32/11/81/571321181.db2.gz	GYXDEFFXDFOZMJ-LJQANCHMSA-N	-1	0	365.429	4.513	40	5		FJBBRM