smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000009209964	554979341	/nfs/dbraw/zinc/97/93/41/554979341.db2.gz	ABYRMNMCPPHIFQ-HBMCJLEFSA-N	0	3	460.402	3.554	40	5		JHBBHN
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000018155767	556295538	/nfs/dbraw/zinc/29/55/38/556295538.db2.gz	CEFWHDCPWNQIKV-VABKMULXSA-N	0	3	475.457	3.663	40	5		JHBBHN
Cc1ccc(NC(=O)CC2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1[N+](=O)[O-]	ZINC000040372748	569824259	/nfs/dbraw/zinc/82/42/59/569824259.db2.gz	DVWYAEPNQGFHEC-NRFANRHFSA-N	0	3	456.462	3.765	40	5		JHBBHN
Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000217389794	569879982	/nfs/dbraw/zinc/87/99/82/569879982.db2.gz	KFACZZMHGZERSN-BHIFYINESA-N	0	3	474.429	3.863	40	5		JHBBHN
CCOc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)N[C@@H](C)c1ccccc1	ZINC000408607601	569971626	/nfs/dbraw/zinc/97/16/26/569971626.db2.gz	TYLUKIVDAGEGIE-PABFRNLHSA-N	0	3	480.477	3.621	40	5		JHBBHN
COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCNc3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000022108527	555875606	/nfs/dbraw/zinc/87/56/06/555875606.db2.gz	FIIGOUGCTOPKLX-UHFFFAOYSA-N	0	3	453.451	3.630	40	5		JHBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000018190137	556300584	/nfs/dbraw/zinc/30/05/84/556300584.db2.gz	FDRVSJNOHWSSMY-VJBWXMMDSA-N	0	3	493.447	3.802	40	5		JHBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102748660	569820461	/nfs/dbraw/zinc/82/04/61/569820461.db2.gz	CEFWHDCPWNQIKV-XPWALMASSA-N	0	3	475.457	3.663	40	5		JHBBHN
CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1	ZINC000008898288	554788711	/nfs/dbraw/zinc/78/87/11/554788711.db2.gz	RFPPUBPLYSBOOY-UHFFFAOYSA-N	0	3	496.637	3.854	40	5		JHBBHN
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000018156868	556295920	/nfs/dbraw/zinc/29/59/20/556295920.db2.gz	IIKLQEGSDUZIGC-HJOGWXRNSA-N	0	3	489.484	3.972	40	5		JHBBHN
COc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1cccc(SC)c1	ZINC000408603949	569970077	/nfs/dbraw/zinc/97/00/77/569970077.db2.gz	HUXKEVAZKBLVBP-VQHVLOKHSA-N	0	3	484.490	3.714	40	5		JHBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000009328627	555099273	/nfs/dbraw/zinc/09/92/73/555099273.db2.gz	BNEXLFTYXKUVTR-NJYVYQBISA-N	0	3	478.392	3.693	40	5		JHBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000018096772	556286866	/nfs/dbraw/zinc/28/68/66/556286866.db2.gz	BNEXLFTYXKUVTR-HKBOAZHASA-N	0	3	478.392	3.693	40	5		JHBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101127278	569783897	/nfs/dbraw/zinc/78/38/97/569783897.db2.gz	CEFWHDCPWNQIKV-VJBWXMMDSA-N	0	3	475.457	3.663	40	5		JHBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102739526	569818934	/nfs/dbraw/zinc/81/89/34/569818934.db2.gz	HTCXICINKGOFAI-TZRRMPRUSA-N	0	3	489.484	3.972	40	5		JHBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102739526	569818935	/nfs/dbraw/zinc/81/89/35/569818935.db2.gz	HTCXICINKGOFAI-TZRRMPRUSA-N	0	3	489.484	3.972	40	5		JHBBHN
Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCN(C)C)n2)cccc1[N+](=O)[O-]	ZINC000329068015	570183693	/nfs/dbraw/zinc/18/36/93/570183693.db2.gz	YMJZMGBBKQNXDS-UHFFFAOYSA-N	0	3	476.459	3.820	40	5		JHBBHN
COc1ccc([C@H]2C(=C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2[N+](=O)[O-])cc1	ZINC000008974807	554846097	/nfs/dbraw/zinc/84/60/97/554846097.db2.gz	OGWHSRIFGMCRDG-LIONHTAISA-N	0	3	467.485	3.793	40	5		JHBBHN
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000020154373	555674153	/nfs/dbraw/zinc/67/41/53/555674153.db2.gz	WFQSAMYUVVJECW-JXMROGBWSA-N	0	3	463.450	3.825	40	5		JHBBHN
O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000002238715	554108745	/nfs/dbraw/zinc/10/87/45/554108745.db2.gz	SNAIXWGWRZKBQP-NJYVYQBISA-N	0	3	460.402	3.554	40	5		JHBBHN
COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)C3ON2c2ccccc2C)cc1	ZINC000012017586	555885269	/nfs/dbraw/zinc/88/52/69/555885269.db2.gz	KLZMKBDOVNSZSV-XPWALMASSA-N	0	3	459.458	3.963	40	5		JHBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000217410990	569880020	/nfs/dbraw/zinc/88/00/20/569880020.db2.gz	HVSLJCNNKSPPCA-NJYVYQBISA-N	0	3	460.402	3.554	40	5		JHBBHN
COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(=O)NC(C)(C)C	ZINC000016322875	556135448	/nfs/dbraw/zinc/13/54/48/556135448.db2.gz	XMTXJTFOSKCRRN-UHFFFAOYSA-N	0	3	464.950	3.752	40	5		JHBBHN
CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000102765623	569822850	/nfs/dbraw/zinc/82/28/50/569822850.db2.gz	DECWLHVNAHLOPI-XPWALMASSA-N	0	3	472.457	3.604	40	5		JHBBHN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)o1	ZINC000223288159	569906323	/nfs/dbraw/zinc/90/63/23/569906323.db2.gz	TVQWNKQAZSVRQG-FGZHOGPDSA-N	0	3	467.551	3.793	40	5		JHBBHN
COc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCc1nnc(-c2ccccc2)o1	ZINC000408602284	569969497	/nfs/dbraw/zinc/96/94/97/569969497.db2.gz	BITAEEAVWMKGOO-CSKARUKUSA-N	0	3	463.406	3.604	40	5		JHBBHN
COc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1cccc(Cl)c1	ZINC000408604395	569970352	/nfs/dbraw/zinc/97/03/52/569970352.db2.gz	INXJHTIIEPZRAA-SOFGYWHQSA-N	0	3	472.841	3.646	40	5		JHBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000018208481	556310129	/nfs/dbraw/zinc/31/01/29/556310129.db2.gz	URRNKCCGLYISGN-VJBWXMMDSA-N	0	3	493.447	3.802	40	5		JHBBHN
COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000018208483	556310208	/nfs/dbraw/zinc/31/02/08/556310208.db2.gz	URRNKCCGLYISGN-VABKMULXSA-N	0	3	493.447	3.802	40	5		JHBBHN
O=C1c2cc(Br)cc([N+](=O)[O-])c2OCC1(CN1CCCCC1)CN1CCCCC1	ZINC000019144117	556331991	/nfs/dbraw/zinc/33/19/91/556331991.db2.gz	GYMNVYNRTBATBC-UHFFFAOYSA-N	0	3	466.376	3.891	40	5		JHBBHN
COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101151151	569784695	/nfs/dbraw/zinc/78/46/95/569784695.db2.gz	LVEVNSILPXFQHJ-HJOGWXRNSA-N	0	3	489.484	3.972	40	5		JHBBHN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)o1	ZINC000223288332	569906299	/nfs/dbraw/zinc/90/62/99/569906299.db2.gz	TVQWNKQAZSVRQG-VXKWHMMOSA-N	0	3	467.551	3.793	40	5		JHBBHN
O=C1c2cccc3cccc(c32)C(=O)N1CC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000033532217	527127408	/nfs/dbraw/zinc/12/74/08/527127408.db2.gz	FMINODWDDJRDNL-HSZRJFAPSA-N	0	3	459.502	3.790	40	5		JHBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000013786691	555619424	/nfs/dbraw/zinc/61/94/24/555619424.db2.gz	ABYRMNMCPPHIFQ-HKBOAZHASA-N	0	3	460.402	3.554	40	5		JHBBHN
CC(=O)Nc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000101234438	569787793	/nfs/dbraw/zinc/78/77/93/569787793.db2.gz	DECWLHVNAHLOPI-VABKMULXSA-N	0	3	472.457	3.604	40	5		JHBBHN
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccc(OC)cc2)cc1	ZINC000102698563	569816051	/nfs/dbraw/zinc/81/60/51/569816051.db2.gz	VBVWROWRQDQKRV-XPWALMASSA-N	0	3	475.457	3.663	40	5		JHBBHN
COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)c1	ZINC000102734117	569818418	/nfs/dbraw/zinc/81/84/18/569818418.db2.gz	OHQNDLZFMYZILX-XPWALMASSA-N	0	3	475.457	3.663	40	5		JHBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102738666	569818924	/nfs/dbraw/zinc/81/89/24/569818924.db2.gz	IIKLQEGSDUZIGC-TZRRMPRUSA-N	0	3	489.484	3.972	40	5		JHBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000017824876	522967792	/nfs/dbraw/zinc/96/77/92/522967792.db2.gz	LVEVNSILPXFQHJ-SGNDLWITSA-N	0	3	489.484	3.972	40	5		JHBBHN
CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000020154354	555673907	/nfs/dbraw/zinc/67/39/07/555673907.db2.gz	VYKIRFNSNZMCLS-UHFFFAOYSA-N	0	3	463.332	3.563	40	5		JHBBHN
CC1=C[C@@H](CN2CCN(CCO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000035442691	560079733	/nfs/dbraw/zinc/07/97/33/560079733.db2.gz	XSJDIULODSAWCU-FIXSFTCYSA-N	0	3	483.613	3.652	40	5	biogenic,in-vitro	JHBBHN
COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCN(C)C)n2)c([N+](=O)[O-])c1	ZINC000328956530	570179219	/nfs/dbraw/zinc/17/92/19/570179219.db2.gz	AGTXMGFIDYKWPE-UHFFFAOYSA-N	0	3	492.458	3.520	40	5		JHBBHN
Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018178334	556298715	/nfs/dbraw/zinc/29/87/15/556298715.db2.gz	KFACZZMHGZERSN-FSSWDIPSSA-N	0	3	474.429	3.863	40	5		JHBBHN
O=C1c2cccc3cccc(c32)C(=O)N1CC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000033532216	527126819	/nfs/dbraw/zinc/12/68/19/527126819.db2.gz	FMINODWDDJRDNL-QHCPKHFHSA-N	0	3	459.502	3.790	40	5		JHBBHN
COc1ccc([C@@H]2C(=C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2[N+](=O)[O-])cc1	ZINC000008974810	554846277	/nfs/dbraw/zinc/84/62/77/554846277.db2.gz	OGWHSRIFGMCRDG-QORCZRPOSA-N	0	3	467.485	3.793	40	5		JHBBHN
COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCc1nnnn1-c1ccc(C)cc1	ZINC000022108217	555875332	/nfs/dbraw/zinc/87/53/32/555875332.db2.gz	PFEONXKQWVHEBZ-UHFFFAOYSA-N	0	3	489.536	3.668	40	5		JHBBHN
CC(C)CCN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000004933875	519652237	/nfs/dbraw/zinc/65/22/37/519652237.db2.gz	HBVHCUMEHRUNMG-UHFFFAOYSA-N	0	3	473.482	3.865	40	5		JHBBHN
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccc(OC)cc2)cc1	ZINC000100887076	569774230	/nfs/dbraw/zinc/77/42/30/569774230.db2.gz	VBVWROWRQDQKRV-VJBWXMMDSA-N	0	3	475.457	3.663	40	5		JHBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102750898	569820821	/nfs/dbraw/zinc/82/08/21/569820821.db2.gz	FDRVSJNOHWSSMY-XPWALMASSA-N	0	3	493.447	3.802	40	5		JHBBHN
COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)c1	ZINC000018098494	556287489	/nfs/dbraw/zinc/28/74/89/556287489.db2.gz	OHQNDLZFMYZILX-VJBWXMMDSA-N	0	3	475.457	3.663	40	5		JHBBHN
CCOc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)N[C@H](C)c1ccccc1	ZINC000408607598	569971573	/nfs/dbraw/zinc/97/15/73/569971573.db2.gz	TYLUKIVDAGEGIE-HBIYDYFMSA-N	0	3	480.477	3.621	40	5		JHBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000217985622	569882399	/nfs/dbraw/zinc/88/23/99/569882399.db2.gz	OYBIPZLORQVUKO-HBMCJLEFSA-N	0	3	460.402	3.554	40	5		JHBBHN
CCCCN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000004900627	520528518	/nfs/dbraw/zinc/52/85/18/520528518.db2.gz	CMSFYVBZYCOCRI-UHFFFAOYSA-N	0	3	459.455	3.619	40	5		JHBBHN
COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccc(OC)cc2)cc1	ZINC000018066759	556282642	/nfs/dbraw/zinc/28/26/42/556282642.db2.gz	VBVWROWRQDQKRV-VABKMULXSA-N	0	3	475.457	3.663	40	5		JHBBHN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)o1	ZINC000223288212	569906341	/nfs/dbraw/zinc/90/63/41/569906341.db2.gz	TVQWNKQAZSVRQG-YADHBBJMSA-N	0	3	467.551	3.793	40	5		JHBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000101167782	569785683	/nfs/dbraw/zinc/78/56/83/569785683.db2.gz	ABYRMNMCPPHIFQ-ACRUOGEOSA-N	0	3	460.402	3.554	40	5		JHBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000018156866	556295797	/nfs/dbraw/zinc/29/57/97/556295797.db2.gz	IIKLQEGSDUZIGC-SGNDLWITSA-N	0	3	489.484	3.972	40	5		JHBBHN
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101098107	569782428	/nfs/dbraw/zinc/78/24/28/569782428.db2.gz	HTCXICINKGOFAI-HJOGWXRNSA-N	0	3	489.484	3.972	40	5		JHBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000101209081	569787193	/nfs/dbraw/zinc/78/71/93/569787193.db2.gz	BNEXLFTYXKUVTR-HBMCJLEFSA-N	0	3	478.392	3.693	40	5		JHBBHN
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)o1	ZINC000223288275	569906329	/nfs/dbraw/zinc/90/63/29/569906329.db2.gz	TVQWNKQAZSVRQG-FCHUYYIVSA-N	0	3	467.551	3.793	40	5		JHBBHN
COc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OS(=O)(=O)c1cccc2ccccc21	ZINC000408602625	569969548	/nfs/dbraw/zinc/96/95/48/569969548.db2.gz	CWPJOSONNSHGRI-ZRDIBKRKSA-N	0	3	495.469	3.896	40	5		JHBBHN
CCOc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1ccc(F)cc1F	ZINC000408603322	569969922	/nfs/dbraw/zinc/96/99/22/569969922.db2.gz	FSHGBZCVIIPWPC-XBXARRHUSA-N	0	3	488.403	3.661	40	5		JHBBHN
CN(C)CCNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329071226	570183954	/nfs/dbraw/zinc/18/39/54/570183954.db2.gz	ZNVCCGCCQMIOIA-UHFFFAOYSA-N	0	3	480.422	3.650	40	5		JHBBHN
COc1ccc([C@@H]2C(=C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2[N+](=O)[O-])cc1	ZINC000008974808	554846295	/nfs/dbraw/zinc/84/62/95/554846295.db2.gz	OGWHSRIFGMCRDG-JBXUNAHCSA-N	0	3	467.485	3.793	40	5		JHBBHN
COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)c1	ZINC000101075492	569781503	/nfs/dbraw/zinc/78/15/03/569781503.db2.gz	OHQNDLZFMYZILX-VABKMULXSA-N	0	3	475.457	3.663	40	5		JHBBHN
Cn1c(=O)c2c(-c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c3c(nc2n(C)c1=O)-c1ccccc1C3O	ZINC000408990066	570093649	/nfs/dbraw/zinc/09/36/49/570093649.db2.gz	VDSWOWCBWCWADP-HSZRJFAPSA-N	0	3	482.452	3.530	40	5		JHBBHN
CN(C)CCNc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329050093	570183035	/nfs/dbraw/zinc/18/30/35/570183035.db2.gz	USWMYVHMJIPHHI-UHFFFAOYSA-N	0	3	480.422	3.650	40	5		JHBBHN
COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000017919355	556271650	/nfs/dbraw/zinc/27/16/50/556271650.db2.gz	LYPNGYSKAYHGLJ-FSSWDIPSSA-N	0	3	463.421	3.794	40	5		JHBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000018086211	556285449	/nfs/dbraw/zinc/28/54/49/556285449.db2.gz	HTCXICINKGOFAI-SGNDLWITSA-N	0	3	489.484	3.972	40	5		JHBBHN
COc1ccc([C@H]2C(=C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3C2[N+](=O)[O-])cc1	ZINC000008974809	554846251	/nfs/dbraw/zinc/84/62/51/554846251.db2.gz	OGWHSRIFGMCRDG-NDBXHCKUSA-N	0	3	467.485	3.793	40	5		JHBBHN
CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000018067029	556282608	/nfs/dbraw/zinc/28/26/08/556282608.db2.gz	DECWLHVNAHLOPI-VJBWXMMDSA-N	0	3	472.457	3.604	40	5		JHBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102753760	569821119	/nfs/dbraw/zinc/82/11/19/569821119.db2.gz	LVEVNSILPXFQHJ-TZRRMPRUSA-N	0	3	489.484	3.972	40	5		JHBBHN
COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000101112592	569783222	/nfs/dbraw/zinc/78/32/22/569783222.db2.gz	LYPNGYSKAYHGLJ-FKBYEOEOSA-N	0	3	463.421	3.794	40	5		JHBBHN
COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)c1	ZINC000102734114	569818450	/nfs/dbraw/zinc/81/84/50/569818450.db2.gz	OHQNDLZFMYZILX-RJGXRXQPSA-N	0	3	475.457	3.663	40	5		JHBBHN
Cc1ccc(NC(=O)CC2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1[N+](=O)[O-]	ZINC000040372745	569824246	/nfs/dbraw/zinc/82/42/46/569824246.db2.gz	DVWYAEPNQGFHEC-OAQYLSRUSA-N	0	3	456.462	3.765	40	5		JHBBHN
CCOc1ccccc1NC(=O)COc1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1OCC	ZINC000408605554	569970907	/nfs/dbraw/zinc/97/09/07/569970907.db2.gz	MAODQKPETRSSOJ-ZRDIBKRKSA-N	0	3	496.476	3.781	40	5		JHBBHN
CCOC(=O)c1ccc(COc2ccc(C=Cc3nc(O)c([N+](=O)[O-])c(O)n3)cc2OC)cc1	ZINC000408606829	569971366	/nfs/dbraw/zinc/97/13/66/569971366.db2.gz	QUBUWPWEDWTNCN-YRNVUSSQSA-N	0	3	467.434	3.731	40	5		JHBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000101167770	569785680	/nfs/dbraw/zinc/78/56/80/569785680.db2.gz	ABYRMNMCPPHIFQ-NJYVYQBISA-N	0	3	460.402	3.554	40	5		JHBBHN
COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102766022	569822847	/nfs/dbraw/zinc/82/28/47/569822847.db2.gz	URRNKCCGLYISGN-XPWALMASSA-N	0	3	493.447	3.802	40	5		JHBBHN
COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)C3ON2c2ccccc2C)cc1	ZINC000138598126	569865975	/nfs/dbraw/zinc/86/59/75/569865975.db2.gz	KLZMKBDOVNSZSV-RJGXRXQPSA-N	0	3	459.458	3.963	40	5		JHBBHN
Cc1ccc(S(=O)(=O)Oc2ccc3sc4c(CO)ccc(NCCN(C)C)c4c(=O)c3c2)cc1	ZINC000005487777	525625878	/nfs/dbraw/zinc/62/58/78/525625878.db2.gz	LJIVEEFMOICGHP-UHFFFAOYSA-N	0	3	498.626	3.957	40	5		JHBBHN
O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000217846028	569881802	/nfs/dbraw/zinc/88/18/02/569881802.db2.gz	SNAIXWGWRZKBQP-HBMCJLEFSA-N	0	3	460.402	3.554	40	5		JHBBHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000101209084	569787160	/nfs/dbraw/zinc/78/71/60/569787160.db2.gz	BNEXLFTYXKUVTR-ACRUOGEOSA-N	0	3	478.392	3.693	40	5		JHBBHN
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000018190139	556300790	/nfs/dbraw/zinc/30/07/90/556300790.db2.gz	FDRVSJNOHWSSMY-VABKMULXSA-N	0	3	493.447	3.802	40	5		JHBBHN
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101164957	569785443	/nfs/dbraw/zinc/78/54/43/569785443.db2.gz	KFACZZMHGZERSN-FKBYEOEOSA-N	0	3	474.429	3.863	40	5		JHBBHN
O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000217410917	569879974	/nfs/dbraw/zinc/87/99/74/569879974.db2.gz	HVSLJCNNKSPPCA-HBMCJLEFSA-N	0	3	460.402	3.554	40	5		JHBBHN
Cn1c(=O)c2c(-c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c3c(nc2n(C)c1=O)-c1ccccc1C3O	ZINC000408990068	570093624	/nfs/dbraw/zinc/09/36/24/570093624.db2.gz	VDSWOWCBWCWADP-QHCPKHFHSA-N	0	3	482.452	3.530	40	5		JHBBHN
O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1cc(I)ccc1Cl	ZINC000020154247	555673804	/nfs/dbraw/zinc/67/38/04/555673804.db2.gz	RMRMJXPOWMHXOO-UHFFFAOYSA-N	0	3	486.697	3.515	40	5		JHBBHN
COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000102743873	569819431	/nfs/dbraw/zinc/81/94/31/569819431.db2.gz	LYPNGYSKAYHGLJ-BHIFYINESA-N	0	3	463.421	3.794	40	5		JHBBHN
CCOc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)N(CC)c1ccccc1	ZINC000408605660	569970835	/nfs/dbraw/zinc/97/08/35/569970835.db2.gz	MTGYALGTKONWIF-ACCUITESSA-N	0	3	480.477	3.797	40	5		JHBBHN