smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000001166805	194057900	/nfs/dbraw/zinc/05/79/00/194057900.db2.gz	JIRRCQBBOODTNB-AWNIVKPZSA-N	-1	0	483.502	4.065	50	5		JIBARM
CCOC(=O)c1c2c(sc1NC(=O)c1ccc(SCC(=O)[O-])c([N+](=O)[O-])c1)CCCC2	ZINC000001895106	194153511	/nfs/dbraw/zinc/15/35/11/194153511.db2.gz	ANSCSAWOHRLSIO-UHFFFAOYSA-N	-1	0	464.521	4.141	50	5		JIBARM
COCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc21	ZINC000004130709	523971070	/nfs/dbraw/zinc/97/10/70/523971070.db2.gz	KMNACCDNUZGOPC-UHFFFAOYSA-N	-1	0	484.486	4.407	50	5		JIBARM
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000016115830	527261526	/nfs/dbraw/zinc/26/15/26/527261526.db2.gz	VVXKHNVEGZRMTL-UHFFFAOYSA-N	-1	0	476.308	4.410	50	5		JIBARM
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000016382141	527478240	/nfs/dbraw/zinc/47/82/40/527478240.db2.gz	MEJXFGAMNRRYQD-UHFFFAOYSA-N	-1	0	455.536	4.094	50	5		JIBARM
O=C([O-])CCC(=O)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000033405872	527571877	/nfs/dbraw/zinc/57/18/77/527571877.db2.gz	CAHQPCBBYHCAHB-OOKCMDACSA-N	-1	0	478.461	4.491	50	5		JIBARM
Cc1nn([C@H](C)c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)cc1[N+](=O)[O-]	ZINC000002731401	554315513	/nfs/dbraw/zinc/31/55/13/554315513.db2.gz	IOZJGYASIOKETR-LLVKDONJSA-N	-1	0	462.898	4.341	50	5		JIBARM
CCN(CC)S(=O)(=O)c1cc2c(cc1Cl)nc1ccc(OC)cc1c2SCC(=O)[O-]	ZINC000008934355	554828850	/nfs/dbraw/zinc/82/88/50/554828850.db2.gz	YJAKFHMWSOMXEI-UHFFFAOYSA-N	-1	0	468.984	4.257	50	5		JIBARM
COc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000015979289	556098582	/nfs/dbraw/zinc/09/85/82/556098582.db2.gz	CRPQMBMYEADFBW-UHFFFAOYSA-N	-1	0	465.491	4.399	50	5		JIBARM
O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc([N+](=O)[O-])cc1	ZINC000101070633	569781275	/nfs/dbraw/zinc/78/12/75/569781275.db2.gz	GCJGOOWWYFJDCR-PZJWPPBQSA-N	-1	0	491.301	4.140	50	5		JIBARM
CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	ZINC000229950573	570042666	/nfs/dbraw/zinc/04/26/66/570042666.db2.gz	KCPCMULNQZKOGI-RBZQAINGSA-N	-1	0	473.485	4.435	50	5		JIBARM
O=C([O-])CCCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000001304084	194082839	/nfs/dbraw/zinc/08/28/39/194082839.db2.gz	WOIWWAABWKWSQO-SFHVURJKSA-N	-1	0	460.284	4.290	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1	ZINC000009895434	195016859	/nfs/dbraw/zinc/01/68/59/195016859.db2.gz	NJFQUYNCYTXLNN-JOCHJYFZSA-N	-1	0	481.530	4.382	50	5		JIBARM
Cc1cc([N+](=O)[O-])nn1[C@H](C)c1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1	ZINC000002730761	554314973	/nfs/dbraw/zinc/31/49/73/554314973.db2.gz	KQEQTBUJOYOSOJ-LLVKDONJSA-N	-1	0	462.898	4.341	50	5		JIBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000008974517	554846042	/nfs/dbraw/zinc/84/60/42/554846042.db2.gz	PDOWDAVQWWOSJZ-XMSQKQJNSA-N	-1	0	454.870	4.273	50	5		JIBARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000009444317	555217418	/nfs/dbraw/zinc/21/74/18/555217418.db2.gz	LHSJSCUQEGHRCQ-UHFFFAOYSA-N	-1	0	491.909	4.319	50	5		JIBARM
O=C(N[C@@H]1CCSc2ccccc21)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009467947	555246213	/nfs/dbraw/zinc/24/62/13/555246213.db2.gz	FSJVAUUWNGBPOI-HXUWFJFHSA-N	-1	0	469.544	4.363	50	5		JIBARM
O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc([N+](=O)[O-])cc1	ZINC000100871336	569772972	/nfs/dbraw/zinc/77/29/72/569772972.db2.gz	GCJGOOWWYFJDCR-CTNGQTDRSA-N	-1	0	491.301	4.140	50	5		JIBARM
CCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)[C@H]1CC	ZINC000245324897	570064122	/nfs/dbraw/zinc/06/41/22/570064122.db2.gz	BXYJUGBSFJFRSE-HYBUGGRVSA-N	-1	0	484.940	4.377	50	5		JIBARM
O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1Br	ZINC000001196239	194067401	/nfs/dbraw/zinc/06/74/01/194067401.db2.gz	LWNNJKPKCNHMLU-UHFFFAOYSA-N	-1	0	476.308	4.410	50	5		JIBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000002741289	194165270	/nfs/dbraw/zinc/16/52/70/194165270.db2.gz	JDJKQKOMPYAYJC-UHFFFAOYSA-N	-1	0	483.893	4.245	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1	ZINC000002618128	554242501	/nfs/dbraw/zinc/24/25/01/554242501.db2.gz	VKAPMCNZEANXLQ-UHFFFAOYSA-N	-1	0	489.937	4.030	50	5		JIBARM
O=[N+]([O-])c1nn(CCc2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)cc1Cl	ZINC000002731427	554315563	/nfs/dbraw/zinc/31/55/63/554315563.db2.gz	ABWGKHVOYFBEFV-UHFFFAOYSA-N	-1	0	483.316	4.320	50	5		JIBARM
O=c1[nH]c(C=Cc2cc(Br)ccc2OCc2ccc(F)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000009234836	555008802	/nfs/dbraw/zinc/00/88/02/555008802.db2.gz	OCVYRNRBMSSEFP-FPYGCLRLSA-N	-1	0	462.231	4.035	50	5		JIBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)[nH]1	ZINC000009295489	555071700	/nfs/dbraw/zinc/07/17/00/555071700.db2.gz	ZHXQKKSSPPXDNG-SOFGYWHQSA-N	-1	0	457.273	4.452	50	5		JIBARM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1OCc1cccc(F)c1	ZINC000009409902	555175388	/nfs/dbraw/zinc/17/53/88/555175388.db2.gz	CKOLOGAOLCQKDY-AATRIKPKSA-N	-1	0	492.257	4.043	50	5		JIBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000009662891	555370057	/nfs/dbraw/zinc/37/00/57/555370057.db2.gz	VBVCLMUNACUDAZ-UHFFFAOYSA-N	-1	0	487.563	4.095	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)cc1	ZINC000012585346	556083034	/nfs/dbraw/zinc/08/30/34/556083034.db2.gz	YQWUJINORJDFTL-FQEVSTJZSA-N	-1	0	495.557	4.252	50	5		JIBARM
Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ncc([N+](=O)[O-])s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000024193021	556126378	/nfs/dbraw/zinc/12/63/78/556126378.db2.gz	UHSJZORUAAFFQY-MRXNPFEDSA-N	-1	0	491.934	4.345	50	5		JIBARM
CCCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	ZINC000096422929	569740419	/nfs/dbraw/zinc/74/04/19/569740419.db2.gz	QSDFPBHVIDLNRY-NDENLUEZSA-N	-1	0	481.896	4.185	50	5		JIBARM
Cc1nc([N-]c2ccccc2[N+](=O)[O-])sc1C(=O)CC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000102263201	569811650	/nfs/dbraw/zinc/81/16/50/569811650.db2.gz	GUFJHPPFQARWIJ-UHFFFAOYSA-N	-1	0	482.562	4.330	50	5		JIBARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)O4)cc1O	ZINC000217659024	569880920	/nfs/dbraw/zinc/88/09/20/569880920.db2.gz	UJRKJUVDSDZYQG-OAHLLOKOSA-N	-1	0	475.409	4.229	50	5	biogenic	JIBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1	ZINC000002987934	194195707	/nfs/dbraw/zinc/19/57/07/194195707.db2.gz	GVZNJOIHXJRDCL-UHFFFAOYSA-N	-1	0	483.527	4.350	50	5		JIBARM
CCOC(=O)c1sc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C	ZINC000005940443	521614393	/nfs/dbraw/zinc/61/43/93/521614393.db2.gz	BLLNLMMYMXLARB-UHFFFAOYSA-N	-1	0	489.531	4.195	50	5		JIBARM
Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000000808530	553784744	/nfs/dbraw/zinc/78/47/44/553784744.db2.gz	TZQQVKKNNLYBDS-UHFFFAOYSA-N	-1	0	466.924	4.190	50	5		JIBARM
O=[N+]([O-])c1cnn(CCc2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)c1	ZINC000002731014	554315176	/nfs/dbraw/zinc/31/51/76/554315176.db2.gz	KXVRPQZHYXVCEU-UHFFFAOYSA-N	-1	0	465.326	4.181	50	5		JIBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cc2)n1	ZINC000002836733	554370380	/nfs/dbraw/zinc/37/03/80/554370380.db2.gz	XHNVQKMVYSHYEQ-UHFFFAOYSA-N	-1	0	495.561	4.253	50	5		JIBARM
O=c1[nH]c(C=Cc2cc(Br)ccc2OCc2ccccc2F)nc([O-])c1[N+](=O)[O-]	ZINC000009234787	555008611	/nfs/dbraw/zinc/00/86/11/555008611.db2.gz	XREVGPJOOYSFJO-VMPITWQZSA-N	-1	0	462.231	4.035	50	5		JIBARM
CCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)[C@@H]1CC	ZINC000009433955	555204286	/nfs/dbraw/zinc/20/42/86/555204286.db2.gz	QPSPXPBDNQUPDE-RDPSFJRHSA-N	-1	0	484.940	4.377	50	5		JIBARM
CCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)[C@@H]1CC	ZINC000009433997	555204645	/nfs/dbraw/zinc/20/46/45/555204645.db2.gz	BXYJUGBSFJFRSE-RDPSFJRHSA-N	-1	0	484.940	4.377	50	5		JIBARM
COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1	ZINC000012311649	555949947	/nfs/dbraw/zinc/94/99/47/555949947.db2.gz	NEHJMKHRJDQSIT-UHFFFAOYSA-N	-1	0	481.490	4.100	50	5		JIBARM
COc1ccc(NC(=O)c2ccccc2[N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000100314822	569757280	/nfs/dbraw/zinc/75/72/80/569757280.db2.gz	JLUWVLDMFASBQL-UHFFFAOYSA-N	-1	0	453.367	4.416	50	5		JIBARM
CCOC(=O)C1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)CC1	ZINC000036666269	569779766	/nfs/dbraw/zinc/77/97/66/569779766.db2.gz	YCQQNUGNQNTCRH-GOSISDBHSA-N	-1	0	497.533	4.029	50	5		JIBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000001747981	194133940	/nfs/dbraw/zinc/13/39/40/194133940.db2.gz	LEPSLPGDEXWFPF-UHFFFAOYSA-N	-1	0	460.518	4.319	50	5		JIBARM
CN(C)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000003170174	194233646	/nfs/dbraw/zinc/23/36/46/194233646.db2.gz	IWDRQGQJOXKEDP-UHFFFAOYSA-N	-1	0	464.507	4.148	50	5		JIBARM
CCOC(=O)C1=CN([C@@H](C)c2ccccc2)C=C(C(=O)OCC)C1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000016426593	520543947	/nfs/dbraw/zinc/54/39/47/520543947.db2.gz	VYHIYFHAXAMNAC-INIZCTEOSA-N	-1	0	496.516	4.363	50	5		JIBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)[C@@H]1CCC	ZINC000009187833	554960174	/nfs/dbraw/zinc/96/01/74/554960174.db2.gz	APQABWGNSBLSMG-BKMJKUGQSA-N	-1	0	494.548	4.204	50	5		JIBARM
O=C(N[C@H]1CCSc2ccccc21)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009467949	555246165	/nfs/dbraw/zinc/24/61/65/555246165.db2.gz	FSJVAUUWNGBPOI-FQEVSTJZSA-N	-1	0	469.544	4.363	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000009714711	555444650	/nfs/dbraw/zinc/44/46/50/555444650.db2.gz	DNTRMTBVONKRLK-UHFFFAOYSA-N	-1	0	461.883	4.310	50	5		JIBARM
CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	ZINC000136256048	569864634	/nfs/dbraw/zinc/86/46/34/569864634.db2.gz	PXQIWNKHRHOWMU-RJGXRXQPSA-N	-1	0	459.458	4.045	50	5		JIBARM
O=C([O-])CCCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000001304083	194082776	/nfs/dbraw/zinc/08/27/76/194082776.db2.gz	WOIWWAABWKWSQO-GOSISDBHSA-N	-1	0	460.284	4.290	50	5		JIBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]	ZINC000016128692	525088278	/nfs/dbraw/zinc/08/82/78/525088278.db2.gz	UEAMUXRJRHXFOZ-UHFFFAOYSA-N	-1	0	461.883	4.310	50	5		JIBARM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	ZINC000012525850	525930700	/nfs/dbraw/zinc/93/07/00/525930700.db2.gz	HOBHXIRQVXFBQP-UHFFFAOYSA-N	-1	0	481.939	4.158	50	5		JIBARM
O=C1N[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1	ZINC000008915564	526838600	/nfs/dbraw/zinc/83/86/00/526838600.db2.gz	MSGHTQFMJZREGQ-FCEWJHQRSA-N	-1	0	481.408	4.020	50	5		JIBARM
O=C(Nc1ncc(Cl)cc1Cl)c1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1	ZINC000009335487	555102905	/nfs/dbraw/zinc/10/29/05/555102905.db2.gz	XGXRULXCCPHMKI-UHFFFAOYSA-N	-1	0	467.290	4.350	50	5		JIBARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@@H]3c3ccccc3)C2=O)c(C)c1	ZINC000009446570	555219600	/nfs/dbraw/zinc/21/96/00/555219600.db2.gz	OMTYQVAQPCYTCY-YIXXDRMTSA-N	-1	0	484.512	4.215	50	5		JIBARM
O=C([O-])c1cccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2Cl)c1	ZINC000015768063	555986462	/nfs/dbraw/zinc/98/64/62/555986462.db2.gz	QXNSENMKKMXMKH-UDWIEESQSA-N	-1	0	465.849	4.356	50	5		JIBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@@H]3c3ccncc3)cc2)cc1[N+](=O)[O-]	ZINC000026001424	556240005	/nfs/dbraw/zinc/24/00/05/556240005.db2.gz	VMNXSIIOVJGWEC-OAQYLSRUSA-N	-1	0	466.519	4.076	50	5		JIBARM
C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)c1ccccc1	ZINC000245232224	570056857	/nfs/dbraw/zinc/05/68/57/570056857.db2.gz	RADGSAFFTXGRGW-HKQJZWTQSA-N	-1	0	457.482	4.400	50	5		JIBARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)n1	ZINC000001893759	194153036	/nfs/dbraw/zinc/15/30/36/194153036.db2.gz	OSMULYVMXGIFLI-UHFFFAOYSA-N	-1	0	483.531	4.269	50	5		JIBARM
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000002846316	194166376	/nfs/dbraw/zinc/16/63/76/194166376.db2.gz	JVWBAUKOGXNOAK-UHFFFAOYSA-N	-1	0	458.430	4.407	50	5		JIBARM
O=C([O-])/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCC2)s1	ZINC000003264687	194256201	/nfs/dbraw/zinc/25/62/01/194256201.db2.gz	FXYYWIFZIMQCMX-JLHYYAGUSA-N	-1	0	456.929	4.110	50	5		JIBARM
COc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000033404969	524452510	/nfs/dbraw/zinc/45/25/10/524452510.db2.gz	VYQUBOHNIOLTTN-PQMHYQBVSA-N	-1	0	471.466	4.195	50	5		JIBARM
O=[N+]([O-])c1ccc(C([O-])=Cc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)cc1	ZINC000020392785	527344640	/nfs/dbraw/zinc/34/46/40/527344640.db2.gz	WIMGGGYTWBNKEN-UHFFFAOYSA-N	-1	0	489.557	4.289	50	5		JIBARM
O=C([O-])CCC(=O)N1N=C2/C(=C\c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000033405874	527571319	/nfs/dbraw/zinc/57/13/19/527571319.db2.gz	QHJGUECEBZVYJY-IMMUBOMMSA-N	-1	0	478.461	4.491	50	5		JIBARM
Cc1cc([N+](=O)[O-])nn1C[C@H](C)c1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1	ZINC000002732686	554316640	/nfs/dbraw/zinc/31/66/40/554316640.db2.gz	BFGIFBSYLZTFQF-LBPRGKRZSA-N	-1	0	458.935	4.397	50	5		JIBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1	ZINC000002836205	554369758	/nfs/dbraw/zinc/36/97/58/554369758.db2.gz	FSUFEFZOMSTABY-UHFFFAOYSA-N	-1	0	472.548	4.303	50	5		JIBARM
COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000009284460	555057598	/nfs/dbraw/zinc/05/75/98/555057598.db2.gz	UMCHISOOYPNIGB-UHFFFAOYSA-N	-1	0	459.455	4.104	50	5		JIBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nn(Cc3ccccc3Cl)cc2Br)c1	ZINC000013959809	555662777	/nfs/dbraw/zinc/66/27/77/555662777.db2.gz	NOSILKRXSZYIEG-UHFFFAOYSA-N	-1	0	471.720	4.056	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1	ZINC000012585342	556083068	/nfs/dbraw/zinc/08/30/68/556083068.db2.gz	YQWUJINORJDFTL-HXUWFJFHSA-N	-1	0	495.557	4.252	50	5		JIBARM
COc1cccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)c1OCC(=O)[O-]	ZINC000095473526	525699371	/nfs/dbraw/zinc/69/93/71/525699371.db2.gz	JHESBSWIQMQROQ-UHFFFAOYSA-N	-1	0	463.446	4.462	50	5		JIBARM
Cc1c([N+](=O)[O-])cnn1CCc1nnc([N-]c2ccn(Cc3c(Cl)cccc3Cl)n2)s1	ZINC000002730800	554314933	/nfs/dbraw/zinc/31/49/33/554314933.db2.gz	HLXDEHFOUSJJSB-UHFFFAOYSA-N	-1	0	479.353	4.489	50	5		JIBARM
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002864418	554390962	/nfs/dbraw/zinc/39/09/62/554390962.db2.gz	VXJFIJPFLUWXDW-UHFFFAOYSA-N	-1	0	481.939	4.158	50	5		JIBARM
O=C(CNC(=O)OCc1ccccc1)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1	ZINC000008971385	554843970	/nfs/dbraw/zinc/84/39/70/554843970.db2.gz	JPSZRYAGQKGALD-UHFFFAOYSA-N	-1	0	453.834	4.137	50	5		JIBARM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000009095716	554893743	/nfs/dbraw/zinc/89/37/43/554893743.db2.gz	OMHOCBWCMRNQCG-UHFFFAOYSA-N	-1	0	458.268	4.227	50	5		JIBARM
Cc1ccc(NC(=O)C(=O)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@H]2OC(=O)c3ccccc32)c(C)c1	ZINC000198724834	569873973	/nfs/dbraw/zinc/87/39/73/569873973.db2.gz	NTIQSSGVNSGONP-URXFXBBRSA-N	-1	0	472.453	4.130	50	5		JIBARM
C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)c1ccccc1	ZINC000222206766	569883906	/nfs/dbraw/zinc/88/39/06/569883906.db2.gz	YMFYMSAIWAKZOE-MZLPPYGWSA-N	-1	0	457.482	4.400	50	5		JIBARM
O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1	ZINC000003014705	194207021	/nfs/dbraw/zinc/20/70/21/194207021.db2.gz	AQPRDECDHZPKBP-UHFFFAOYSA-N	-1	0	476.308	4.410	50	5		JIBARM
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1	ZINC000022854837	522534324	/nfs/dbraw/zinc/53/43/24/522534324.db2.gz	JJSJFBDXCFGGLQ-HXUWFJFHSA-N	-1	0	482.541	4.018	50	5		JIBARM
Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1OCC(=O)NC1CCCCC1	ZINC000016320103	524850098	/nfs/dbraw/zinc/85/00/98/524850098.db2.gz	PTYKLIRPKBJVON-UHFFFAOYSA-N	-1	0	481.958	4.185	50	5		JIBARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)cc2)n1	ZINC000000947842	553879907	/nfs/dbraw/zinc/87/99/07/553879907.db2.gz	JXAOCLNPVFWZQO-UHFFFAOYSA-N	-1	0	486.509	4.098	50	5		JIBARM
Cc1nn(CCc2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)c(C)c1[N+](=O)[O-]	ZINC000002731546	554315907	/nfs/dbraw/zinc/31/59/07/554315907.db2.gz	YELAQGZMGHXTKI-UHFFFAOYSA-N	-1	0	476.925	4.283	50	5		JIBARM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1Cl	ZINC000002871920	554396179	/nfs/dbraw/zinc/39/61/79/554396179.db2.gz	UKEHBCJGKGSNMO-UHFFFAOYSA-N	-1	0	481.939	4.158	50	5		JIBARM
CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1	ZINC000022854905	555961735	/nfs/dbraw/zinc/96/17/35/555961735.db2.gz	HEHNYVGTJSWLQT-FQEVSTJZSA-N	-1	0	482.541	4.018	50	5		JIBARM
COc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000027527489	556288098	/nfs/dbraw/zinc/28/80/98/556288098.db2.gz	JYDGTKZEOFYCAG-UHFFFAOYSA-N	-1	0	450.838	4.018	50	5		JIBARM
O=C([N-]n1c(=O)c2ccccc2nc1C1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	ZINC000027528423	556290211	/nfs/dbraw/zinc/29/02/11/556290211.db2.gz	QFJQRKAFTNNUEA-UHFFFAOYSA-N	-1	0	471.857	4.298	50	5		JIBARM
CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[nH]c1=O	ZINC000101494733	569799856	/nfs/dbraw/zinc/79/98/56/569799856.db2.gz	GBNVHYOIHDFOEC-IBGZPJMESA-N	-1	0	466.519	4.308	50	5		JIBARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)s1	ZINC000001747985	194133760	/nfs/dbraw/zinc/13/37/60/194133760.db2.gz	YSOCAPAPPIQECE-UHFFFAOYSA-N	-1	0	489.560	4.277	50	5		JIBARM
CCNc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1[N+](=O)[O-]	ZINC000009957449	195037127	/nfs/dbraw/zinc/03/71/27/195037127.db2.gz	XSMDUDOZEAWGPN-UHFFFAOYSA-N	-1	0	470.507	4.088	50	5		JIBARM
CCOC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000012851987	195155035	/nfs/dbraw/zinc/15/50/35/195155035.db2.gz	LJWDEGHMKQDFRH-SFHVURJKSA-N	-1	0	459.842	4.054	50	5		JIBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1[N+](=O)[O-]	ZINC000008384494	554567620	/nfs/dbraw/zinc/56/76/20/554567620.db2.gz	NOUSZNTYLBIONX-UHFFFAOYSA-N	-1	0	495.966	4.467	50	5		JIBARM
O=C([O-])c1c(C(=O)Nc2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cccc1[N+](=O)[O-]	ZINC000008448354	554595598	/nfs/dbraw/zinc/59/55/98/554595598.db2.gz	WYZGSKDEMHNPII-UHFFFAOYSA-N	-1	0	467.350	4.105	50	5		JIBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccccc3)C2=O)[C@@H]1CCC	ZINC000009266270	555042524	/nfs/dbraw/zinc/04/25/24/555042524.db2.gz	GTBMSCKDIOWVRK-SQJMNOBHSA-N	-1	0	464.522	4.196	50	5		JIBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)[C@@H]1CCC	ZINC000009510637	555300092	/nfs/dbraw/zinc/30/00/92/555300092.db2.gz	YAWCTUFQIZDGAG-SQJMNOBHSA-N	-1	0	482.512	4.335	50	5		JIBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)cc1	ZINC000009714632	555444319	/nfs/dbraw/zinc/44/43/19/555444319.db2.gz	DSMWEGQCOFFMLB-UHFFFAOYSA-N	-1	0	453.524	4.233	50	5		JIBARM
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000102756972	569821205	/nfs/dbraw/zinc/82/12/05/569821205.db2.gz	JOMCFRDCHSYCOG-YPAWHYETSA-N	-1	0	495.875	4.014	50	5		JIBARM
COc1ccc(S(=O)(=O)c2cc(NC(=O)c3cccc([N+](=O)[O-])c3)c(C)c(C)c2[O-])cc1	ZINC000003620706	194341935	/nfs/dbraw/zinc/34/19/35/194341935.db2.gz	UKHAURAMAQSNSH-UHFFFAOYSA-N	-1	0	456.476	4.011	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C2CC2)cc1	ZINC000012605014	195050299	/nfs/dbraw/zinc/05/02/99/195050299.db2.gz	GOIJJJGCDKDPNH-UHFFFAOYSA-N	-1	0	481.530	4.209	50	5		JIBARM
C[C@]12C[C@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@H]12	ZINC000102790961	130304741	/nfs/dbraw/zinc/30/47/41/130304741.db2.gz	AODBAAYJCSXDOF-BSCPBZPOSA-N	-1	0	488.544	4.194	50	5		JIBARM
COC(=O)c1cnc(Sc2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000012370035	522342298	/nfs/dbraw/zinc/34/22/98/522342298.db2.gz	AYAVHGIRQVCCOC-UHFFFAOYSA-N	-1	0	479.923	4.382	50	5		JIBARM
COc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl	ZINC000033470817	525766460	/nfs/dbraw/zinc/76/64/60/525766460.db2.gz	OEUGFOJYKRAJSP-SOFGYWHQSA-N	-1	0	464.261	4.449	50	5		JIBARM
Cc1cc([N+](=O)[O-])nn1C[C@@H](C)c1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1	ZINC000002732685	554316645	/nfs/dbraw/zinc/31/66/45/554316645.db2.gz	BFGIFBSYLZTFQF-GFCCVEGCSA-N	-1	0	458.935	4.397	50	5		JIBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccccc3)C2=O)[C@@H]1CCC	ZINC000009266271	555042648	/nfs/dbraw/zinc/04/26/48/555042648.db2.gz	GTBMSCKDIOWVRK-OFVILXPXSA-N	-1	0	464.522	4.196	50	5		JIBARM
O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc([N+](=O)[O-])cc1	ZINC000101070631	569781226	/nfs/dbraw/zinc/78/12/26/569781226.db2.gz	GCJGOOWWYFJDCR-TZIWHRDSSA-N	-1	0	491.301	4.140	50	5		JIBARM
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2ncc(C(=O)c3cc(Br)ccc3[O-])cc12	ZINC000000984707	193997407	/nfs/dbraw/zinc/99/74/07/193997407.db2.gz	CYJZPDNSARKMAE-UHFFFAOYSA-N	-1	0	453.252	4.336	50	5		JIBARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000001196464	194067416	/nfs/dbraw/zinc/06/74/16/194067416.db2.gz	RNFJTPJTPAFRSY-UHFFFAOYSA-N	-1	0	461.883	4.310	50	5		JIBARM
O=C([O-])CCC(=O)N1N=C2/C(=C\c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000096400881	130077954	/nfs/dbraw/zinc/07/79/54/130077954.db2.gz	QHJGUECEBZVYJY-JZGIEPQVSA-N	-1	0	478.461	4.491	50	5		JIBARM
COc1ccccc1N1C(=O)[N-]C(=O)[C@@](CCc2ccccn2)(Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000016293463	524535529	/nfs/dbraw/zinc/53/55/29/524535529.db2.gz	JIOBGFYZMGKNDA-RUZDIDTESA-N	-1	0	474.473	4.283	50	5		JIBARM
COc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000002619548	554244242	/nfs/dbraw/zinc/24/42/42/554244242.db2.gz	PVFJIZNMMSRYTJ-UHFFFAOYSA-N	-1	0	491.522	4.274	50	5		JIBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cncs2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000002706885	554295778	/nfs/dbraw/zinc/29/57/78/554295778.db2.gz	UXXYYVCRDDOXJV-UHFFFAOYSA-N	-1	0	470.488	4.364	50	5		JIBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000002742237	554322471	/nfs/dbraw/zinc/32/24/71/554322471.db2.gz	FEGCUFWYHKHIQF-UHFFFAOYSA-N	-1	0	483.893	4.245	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000009355991	555120814	/nfs/dbraw/zinc/12/08/14/555120814.db2.gz	RCPNKCXJMDSTEN-UHFFFAOYSA-N	-1	0	461.883	4.310	50	5		JIBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1	ZINC000009714676	555444361	/nfs/dbraw/zinc/44/43/61/555444361.db2.gz	AURKSCUCYWGCQR-UHFFFAOYSA-N	-1	0	453.524	4.151	50	5		JIBARM
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccccc1	ZINC000012564722	556060982	/nfs/dbraw/zinc/06/09/82/556060982.db2.gz	ANCNOXRNDJUZNF-AWEZNQCLSA-N	-1	0	488.905	4.477	50	5		JIBARM
CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccccc3)C2=O)[C@H]1c1ccccc1	ZINC000016975733	556193841	/nfs/dbraw/zinc/19/38/41/556193841.db2.gz	DQTVRLLVHDPTFZ-BWKNWUBXSA-N	-1	0	456.458	4.438	50	5		JIBARM
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1	ZINC000229877162	570041628	/nfs/dbraw/zinc/04/16/28/570041628.db2.gz	HVWIMHKWGKNUJZ-PWRODBHTSA-N	-1	0	494.301	4.408	50	5		JIBARM
O=C([O-])c1ccccc1NC(=O)c1cccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1	ZINC000002876200	526396573	/nfs/dbraw/zinc/39/65/73/526396573.db2.gz	CBFOJUIUXZPTLE-UHFFFAOYSA-N	-1	0	465.487	4.417	50	5		JIBARM
O=[N+]([O-])c1ccn(CCc2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)n1	ZINC000002731067	554315197	/nfs/dbraw/zinc/31/51/97/554315197.db2.gz	LVPWHUFYFYRKJQ-UHFFFAOYSA-N	-1	0	465.326	4.181	50	5		JIBARM
Cc1nn([C@@H](C)c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)cc1[N+](=O)[O-]	ZINC000002731400	554315596	/nfs/dbraw/zinc/31/55/96/554315596.db2.gz	IOZJGYASIOKETR-NSHDSACASA-N	-1	0	462.898	4.341	50	5		JIBARM
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000002817236	554363233	/nfs/dbraw/zinc/36/32/33/554363233.db2.gz	VNDWEGNLGIGGDT-UHFFFAOYSA-N	-1	0	481.939	4.158	50	5		JIBARM
Cc1nc2ccccc2c(=O)n1-c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000009707399	555430291	/nfs/dbraw/zinc/43/02/91/555430291.db2.gz	ITLSXBWCPJMIKJ-UHFFFAOYSA-N	-1	0	470.894	4.057	50	5		JIBARM
Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ncc([N+](=O)[O-])s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000024193022	556126414	/nfs/dbraw/zinc/12/64/14/556126414.db2.gz	UHSJZORUAAFFQY-INIZCTEOSA-N	-1	0	491.934	4.345	50	5		JIBARM
O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1	ZINC000032778236	556492993	/nfs/dbraw/zinc/49/29/93/556492993.db2.gz	YKOVKXIGLOLJLG-UHFFFAOYSA-N	-1	0	452.492	4.266	50	5		JIBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000230046152	570044045	/nfs/dbraw/zinc/04/40/45/570044045.db2.gz	PKJIPIZXNZKINJ-PGRDOPGGSA-N	-1	0	454.870	4.273	50	5		JIBARM
C[C@]12C[C@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@H]12	ZINC000102790963	130304781	/nfs/dbraw/zinc/30/47/81/130304781.db2.gz	AODBAAYJCSXDOF-LQIWJUJESA-N	-1	0	488.544	4.194	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Cl)cc1	ZINC000021631872	525474946	/nfs/dbraw/zinc/47/49/46/525474946.db2.gz	CAUKQTLYXJSLIV-UHFFFAOYSA-N	-1	0	461.883	4.310	50	5		JIBARM
Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000002860319	554386722	/nfs/dbraw/zinc/38/67/22/554386722.db2.gz	QODBZRLZYHSDIU-UHFFFAOYSA-N	-1	0	480.951	4.499	50	5		JIBARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1	ZINC000009562886	555364488	/nfs/dbraw/zinc/36/44/88/555364488.db2.gz	SPJNZTMFNPATRG-UHFFFAOYSA-N	-1	0	480.454	4.182	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1	ZINC000009612645	555446127	/nfs/dbraw/zinc/44/61/27/555446127.db2.gz	RYQXCSYOPKVHRV-OAQYLSRUSA-N	-1	0	481.530	4.212	50	5		JIBARM
CCOC(=O)C1C(C)=Nc2nc(SCc3ccc(C(=O)[O-])cc3)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020134265	555658738	/nfs/dbraw/zinc/65/87/38/555658738.db2.gz	NFHWRDCGXJQKES-LJQANCHMSA-N	-1	0	495.517	4.029	50	5		JIBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1[N+](=O)[O-]	ZINC000014186169	555727607	/nfs/dbraw/zinc/72/76/07/555727607.db2.gz	ATOCIGMTJFHHER-UHFFFAOYSA-N	-1	0	475.548	4.122	50	5		JIBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccccc3)C2=O)[C@H]1CCC	ZINC000017015541	556204310	/nfs/dbraw/zinc/20/43/10/556204310.db2.gz	GTBMSCKDIOWVRK-BWKNWUBXSA-N	-1	0	464.522	4.400	50	5		JIBARM
COc1ccccc1CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC	ZINC000025285105	556207233	/nfs/dbraw/zinc/20/72/33/556207233.db2.gz	NIPRQNUQFQJXPE-UHFFFAOYSA-N	-1	0	457.508	4.067	50	5		JIBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC[C@H]3c3ccncc3)cc2)cc1[N+](=O)[O-]	ZINC000026001432	556239995	/nfs/dbraw/zinc/23/99/95/556239995.db2.gz	VMNXSIIOVJGWEC-NRFANRHFSA-N	-1	0	466.519	4.076	50	5		JIBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000230045747	570043888	/nfs/dbraw/zinc/04/38/88/570043888.db2.gz	PDOWDAVQWWOSJZ-PGRDOPGGSA-N	-1	0	454.870	4.273	50	5		JIBARM
CCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)[C@H]1CC	ZINC000245327764	570065535	/nfs/dbraw/zinc/06/55/35/570065535.db2.gz	QPSPXPBDNQUPDE-HYBUGGRVSA-N	-1	0	484.940	4.377	50	5		JIBARM
Cc1c(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])ccc2c3ccccc3c(=O)oc12	ZINC000002121136	194157254	/nfs/dbraw/zinc/15/72/54/194157254.db2.gz	CSYGMMBAZUTWOT-FQEVSTJZSA-N	-1	0	465.889	4.099	50	5	biogenic	JIBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)[C@@H]1CCC	ZINC000009187834	194584223	/nfs/dbraw/zinc/58/42/23/194584223.db2.gz	APQABWGNSBLSMG-NVQXNPDNSA-N	-1	0	494.548	4.204	50	5		JIBARM
CN(C)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000012523923	522239266	/nfs/dbraw/zinc/23/92/66/522239266.db2.gz	ZGFGKLHFZVMNAR-UHFFFAOYSA-N	-1	0	464.507	4.148	50	5		JIBARM
COc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000006142082	524649870	/nfs/dbraw/zinc/64/98/70/524649870.db2.gz	RYYJZPGSLDMPCQ-UHFFFAOYSA-N	-1	0	451.464	4.091	50	5		JIBARM
Cc1c([C@@H](c2cccc([N+](=O)[O-])c2)c2c([O-])c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C	ZINC000004147914	525906165	/nfs/dbraw/zinc/90/61/65/525906165.db2.gz	PEOVJICOPOEQEQ-HSZRJFAPSA-N	-1	0	483.480	4.385	50	5		JIBARM
Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1	ZINC000023157657	527207347	/nfs/dbraw/zinc/20/73/47/527207347.db2.gz	NHEMWABKNCAYPE-IBGZPJMESA-N	-1	0	484.969	4.278	50	5		JIBARM
O=C(Nc1ccccc1)c1ccc(Br)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1	ZINC000000847725	553796704	/nfs/dbraw/zinc/79/67/04/553796704.db2.gz	QANWUZCJRNARTH-UHFFFAOYSA-N	-1	0	476.308	4.410	50	5		JIBARM
CC[C@@H](c1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1	ZINC000002730152	554314694	/nfs/dbraw/zinc/31/46/94/554314694.db2.gz	TUSRQVSHDZIVAZ-HNNXBMFYSA-N	-1	0	462.898	4.423	50	5		JIBARM
O=C([N-]c1c(F)c(F)c(Br)c(F)c1F)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	ZINC000002781279	554342189	/nfs/dbraw/zinc/34/21/89/554342189.db2.gz	GNXVEMMUBCURRD-UHFFFAOYSA-N	-1	0	463.141	4.004	50	5		JIBARM
CC(C)C[C@@H](Nc1c(C(=O)Nc2ccc(Cl)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000008809751	554688879	/nfs/dbraw/zinc/68/88/79/554688879.db2.gz	FPYNJWMJOAMMBC-OAHLLOKOSA-N	-1	0	450.835	4.320	50	5	biogenic,in-vitro	JIBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)[C@@H]1CCC	ZINC000009240743	555016871	/nfs/dbraw/zinc/01/68/71/555016871.db2.gz	MXUQDSQHKAZUFL-BKMJKUGQSA-N	-1	0	494.548	4.204	50	5		JIBARM
O=C([O-])CCC(=O)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000013304267	527571985	/nfs/dbraw/zinc/57/19/85/527571985.db2.gz	QHJGUECEBZVYJY-YGRFAQMLSA-N	-1	0	478.461	4.491	50	5		JIBARM
Cc1c(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)[O-])ccc2c3ccccc3c(=O)oc12	ZINC000002117965	554054294	/nfs/dbraw/zinc/05/42/94/554054294.db2.gz	QJWTXPLUAJQBOU-NRFANRHFSA-N	-1	0	477.538	4.136	50	5	biogenic	JIBARM
CCN(c1ccccc1)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c([N+](=O)[O-])c1	ZINC000009224172	554995586	/nfs/dbraw/zinc/99/55/86/554995586.db2.gz	DEPVGSWTWXZEJO-UHFFFAOYSA-N	-1	0	489.575	4.228	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1	ZINC000009285214	555059384	/nfs/dbraw/zinc/05/93/84/555059384.db2.gz	VQURIKNBUNXCOS-UHFFFAOYSA-N	-1	0	461.883	4.310	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1	ZINC000015100650	555876783	/nfs/dbraw/zinc/87/67/83/555876783.db2.gz	QDPQEHLOFFDVCR-UHFFFAOYSA-N	-1	0	499.520	4.348	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1	ZINC000012552313	556035286	/nfs/dbraw/zinc/03/52/86/556035286.db2.gz	TZJFJBYEFISRTD-UHFFFAOYSA-N	-1	0	478.486	4.205	50	5		JIBARM
O=C(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N(Cc1cccs1)C1CC1	ZINC000031939774	556411663	/nfs/dbraw/zinc/41/16/63/556411663.db2.gz	NSTLIDOINVJQMF-UHFFFAOYSA-N	-1	0	457.533	4.262	50	5		JIBARM
C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)c1ccccc1	ZINC000245232226	570056853	/nfs/dbraw/zinc/05/68/53/570056853.db2.gz	RADGSAFFTXGRGW-TTZMFTMZSA-N	-1	0	457.482	4.400	50	5		JIBARM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3c(c2)OCO3)ccc1Cl	ZINC000012659840	195079699	/nfs/dbraw/zinc/07/96/99/195079699.db2.gz	ALJFLDMNLZCTIE-UHFFFAOYSA-N	-1	0	499.892	4.465	50	5		JIBARM
CCOC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000012851984	195154998	/nfs/dbraw/zinc/15/49/98/195154998.db2.gz	LJWDEGHMKQDFRH-GOSISDBHSA-N	-1	0	459.842	4.054	50	5		JIBARM
CCOC(=O)C1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)CC1	ZINC000036666266	520582802	/nfs/dbraw/zinc/58/28/02/520582802.db2.gz	YCQQNUGNQNTCRH-SFHVURJKSA-N	-1	0	497.533	4.029	50	5		JIBARM
O=C(c1cnn(-c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2[N+](=O)[O-])c1)c1ccccc1[O-]	ZINC000033422183	526887353	/nfs/dbraw/zinc/88/73/53/526887353.db2.gz	ZFVVNQCVOMJQPE-UHFFFAOYSA-N	-1	0	498.904	4.171	50	5		JIBARM
COc1nn(CCc2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)cc1[N+](=O)[O-]	ZINC000002731059	554315186	/nfs/dbraw/zinc/31/51/86/554315186.db2.gz	WDUDKRYURIIKLQ-UHFFFAOYSA-N	-1	0	495.352	4.189	50	5		JIBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nn(Cc3c(F)cccc3Cl)cc2Br)cc1	ZINC000002804545	554355123	/nfs/dbraw/zinc/35/51/23/554355123.db2.gz	YASLEANRUYJVFY-UHFFFAOYSA-N	-1	0	489.710	4.195	50	5		JIBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1	ZINC000002864400	554390578	/nfs/dbraw/zinc/39/05/78/554390578.db2.gz	RKYYJDQKJJUJRR-UHFFFAOYSA-N	-1	0	483.527	4.350	50	5		JIBARM
CCN(c1ccccc1)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000008826136	554715230	/nfs/dbraw/zinc/71/52/30/554715230.db2.gz	DAQLQOWOFZDFQF-UHFFFAOYSA-N	-1	0	495.966	4.264	50	5		JIBARM
O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009090680	554891476	/nfs/dbraw/zinc/89/14/76/554891476.db2.gz	CAHQPCBBYHCAHB-WYZZFHORSA-N	-1	0	478.461	4.491	50	5		JIBARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1	ZINC000009285205	555059337	/nfs/dbraw/zinc/05/93/37/555059337.db2.gz	TXRFJGNQSAMEBE-UHFFFAOYSA-N	-1	0	461.883	4.310	50	5		JIBARM
O=C([O-])CCC(=O)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000013304271	555374224	/nfs/dbraw/zinc/37/42/24/555374224.db2.gz	QHJGUECEBZVYJY-KVFJLLSGSA-N	-1	0	478.461	4.491	50	5		JIBARM
O=C([O-])CCC(=O)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000013304280	555374363	/nfs/dbraw/zinc/37/43/63/555374363.db2.gz	QHJGUECEBZVYJY-CTKMWPNLSA-N	-1	0	478.461	4.491	50	5		JIBARM
C[C@H](NS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1)C(=O)[O-]	ZINC000013317138	555375756	/nfs/dbraw/zinc/37/57/56/555375756.db2.gz	QSJHRBWRJRKUST-HNNXBMFYSA-N	-1	0	477.498	4.228	50	5		JIBARM
CCOC(=O)C1C(C)=Nc2nc(SCc3ccc(C(=O)[O-])cc3)nn2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020134268	555658843	/nfs/dbraw/zinc/65/88/43/555658843.db2.gz	NFHWRDCGXJQKES-IBGZPJMESA-N	-1	0	495.517	4.029	50	5		JIBARM
CSc1nnc2c(n1)O[C@@H](c1ccc([O-])c([N+](=O)[O-])c1)Nc1ccc(Br)cc1-2	ZINC000015016346	555857515	/nfs/dbraw/zinc/85/75/15/555857515.db2.gz	SNSZCDSWQHEBIY-HNNXBMFYSA-N	-1	0	462.285	4.140	50	5		JIBARM
O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000012560385	556052184	/nfs/dbraw/zinc/05/21/84/556052184.db2.gz	CAHQPCBBYHCAHB-FSHDWPLLSA-N	-1	0	478.461	4.491	50	5		JIBARM
COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000015979292	556098456	/nfs/dbraw/zinc/09/84/56/556098456.db2.gz	YMDVRCJCPAAZOD-UHFFFAOYSA-N	-1	0	465.491	4.399	50	5		JIBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)[C@H]1CCC	ZINC000102781527	569823747	/nfs/dbraw/zinc/82/37/47/569823747.db2.gz	YAWCTUFQIZDGAG-PXDATVDWSA-N	-1	0	482.512	4.335	50	5		JIBARM
Cc1ccc(NC(=O)C(=O)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@H]2OC(=O)c3ccccc32)c(C)c1	ZINC000198724863	569873951	/nfs/dbraw/zinc/87/39/51/569873951.db2.gz	NTIQSSGVNSGONP-XUZZJYLKSA-N	-1	0	472.453	4.130	50	5		JIBARM
O=C(NC([N-]c1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F)c1cccnc1	ZINC000000721311	193906602	/nfs/dbraw/zinc/90/66/02/193906602.db2.gz	SFAODBVTGWNNCF-UHFFFAOYSA-N	-1	0	465.335	4.262	50	5		JIBARM
CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)cc2Br	ZINC000004008742	194369333	/nfs/dbraw/zinc/36/93/33/194369333.db2.gz	XCZBZNSOLCUWSC-UHFFFAOYSA-N	-1	0	483.296	4.389	50	5		JIBARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1	ZINC000009126882	554921272	/nfs/dbraw/zinc/92/12/72/554921272.db2.gz	WSQPSBQZQWZBIL-UHFFFAOYSA-N	-1	0	461.883	4.310	50	5		JIBARM
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC(=S)NCc2cccs2)c(C)c1	ZINC000009466670	555242808	/nfs/dbraw/zinc/24/28/08/555242808.db2.gz	NFOCFIYSNYYSRO-UHFFFAOYSA-N	-1	0	491.620	4.065	50	5		JIBARM
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000022130607	555879689	/nfs/dbraw/zinc/87/96/89/555879689.db2.gz	VFTPCHBPQZURLZ-UHFFFAOYSA-N	-1	0	476.308	4.410	50	5		JIBARM
O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000012560383	556052322	/nfs/dbraw/zinc/05/23/22/556052322.db2.gz	CAHQPCBBYHCAHB-CDEHNYETSA-N	-1	0	478.461	4.491	50	5		JIBARM
CCOc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1	ZINC000008684394	562952052	/nfs/dbraw/zinc/95/20/52/562952052.db2.gz	SVWCMCTYDXGAQF-UHFFFAOYSA-N	-1	0	459.455	4.186	50	5		JIBARM
O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000035190124	569677917	/nfs/dbraw/zinc/67/79/17/569677917.db2.gz	ZGVGKUQUZRZEFI-WCSRMQSCSA-N	-1	0	468.274	4.282	50	5		JIBARM
CCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1	ZINC000102756797	569821245	/nfs/dbraw/zinc/82/12/45/569821245.db2.gz	NMSXMQASPHSVCT-KMDXXIMOSA-N	-1	0	473.485	4.435	50	5		JIBARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)O4)cc1O	ZINC000217659108	569880866	/nfs/dbraw/zinc/88/08/66/569880866.db2.gz	UJRKJUVDSDZYQG-HNNXBMFYSA-N	-1	0	475.409	4.229	50	5	biogenic	JIBARM
O=C([O-])C1CCC(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000003026340	194211445	/nfs/dbraw/zinc/21/14/45/194211445.db2.gz	JUYMFNICTPXHDT-UHFFFAOYSA-N	-1	0	466.943	4.330	50	5		JIBARM
O=C([O-])c1cccc(NC(=O)c2cccc(N3C(=O)c4cccc5c([N+](=O)[O-])ccc(c45)C3=O)c2)c1	ZINC000001163392	526391823	/nfs/dbraw/zinc/39/18/23/526391823.db2.gz	FXNUAURXBXXGAI-UHFFFAOYSA-N	-1	0	481.420	4.499	50	5		JIBARM
O=C([O-])CCC(=O)N1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000013304275	527571759	/nfs/dbraw/zinc/57/17/59/527571759.db2.gz	QHJGUECEBZVYJY-HMUPJJMOSA-N	-1	0	478.461	4.491	50	5		JIBARM
Cc1nn(Cc2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)c(C)c1[N+](=O)[O-]	ZINC000002730859	554314921	/nfs/dbraw/zinc/31/49/21/554314921.db2.gz	KTBNEBBUECJKMM-UHFFFAOYSA-N	-1	0	462.898	4.089	50	5		JIBARM
Cc1nn(Cc2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)cc1[N+](=O)[O-]	ZINC000002731433	554315606	/nfs/dbraw/zinc/31/56/06/554315606.db2.gz	CXMNPFMGHHZURD-UHFFFAOYSA-N	-1	0	465.326	4.295	50	5		JIBARM
O=[N+]([O-])c1cnn(Cc2cccc(-c3nnc([N-]c4ccn(Cc5ccccc5)n4)s3)c2)c1	ZINC000002732355	554316457	/nfs/dbraw/zinc/31/64/57/554316457.db2.gz	FUWICUIEQZQQOG-UHFFFAOYSA-N	-1	0	458.507	4.347	50	5		JIBARM
O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1[nH]nc([N+](=O)[O-])c1Br	ZINC000002793276	554348842	/nfs/dbraw/zinc/34/88/42/554348842.db2.gz	GUOWGTRBDGSQKI-UHFFFAOYSA-N	-1	0	460.216	4.058	50	5		JIBARM
COc1ccc(OC)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000008739048	554640712	/nfs/dbraw/zinc/64/07/12/554640712.db2.gz	KFPGXSWDOMGULE-UHFFFAOYSA-N	-1	0	481.490	4.100	50	5		JIBARM
O=[N+]([O-])c1ccccc1[N-]c1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1	ZINC000008986190	554849212	/nfs/dbraw/zinc/84/92/12/554849212.db2.gz	COSZAYUSOVYCQY-UHFFFAOYSA-N	-1	0	466.342	4.386	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1	ZINC000009378540	555139937	/nfs/dbraw/zinc/13/99/37/555139937.db2.gz	MWMDKFKEKSTATP-UHFFFAOYSA-N	-1	0	467.503	4.145	50	5		JIBARM
Cc1ccc(NS(=O)(=O)c2ccc(-n3cc(C(=O)c4ccccc4[O-])cn3)c([N+](=O)[O-])c2)c(C)c1	ZINC000013140462	555337351	/nfs/dbraw/zinc/33/73/51/555337351.db2.gz	IMQCMYNSORHOIM-UHFFFAOYSA-N	-1	0	492.513	4.135	50	5		JIBARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1	ZINC000009613479	555449158	/nfs/dbraw/zinc/44/91/58/555449158.db2.gz	FNXJQCLOKAWHLN-UHFFFAOYSA-N	-1	0	473.532	4.135	50	5		JIBARM
O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)[n+]([O-])c1[N-]c1ccc(I)cc1Cl	ZINC000020156544	555676310	/nfs/dbraw/zinc/67/63/10/555676310.db2.gz	WWZBYNLHIQGGQB-UHFFFAOYSA-N	-1	0	492.060	4.069	50	5		JIBARM
O=C([O-])c1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2Cl)cc1	ZINC000015768249	555986827	/nfs/dbraw/zinc/98/68/27/555986827.db2.gz	SJFUSVKQHARMLA-DEDYPNTBSA-N	-1	0	465.849	4.356	50	5		JIBARM
Cc1ccc(NC(=O)C(=O)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@H]2OC(=O)c3ccccc32)c(C)c1	ZINC000198724851	569873938	/nfs/dbraw/zinc/87/39/38/569873938.db2.gz	NTIQSSGVNSGONP-QPPBQGQZSA-N	-1	0	472.453	4.130	50	5		JIBARM
CCOC(=O)C1=CN([C@H](C)c2ccccc2)C=C(C(=O)OCC)C1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000016426596	520542250	/nfs/dbraw/zinc/54/22/50/520542250.db2.gz	VYHIYFHAXAMNAC-MRXNPFEDSA-N	-1	0	496.516	4.363	50	5		JIBARM
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1	ZINC000002730701	554314929	/nfs/dbraw/zinc/31/49/29/554314929.db2.gz	PDDYMBLIMQWSAZ-LLVKDONJSA-N	-1	0	462.898	4.227	50	5		JIBARM
CCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)[C@@H]1CC	ZINC000009433954	555204367	/nfs/dbraw/zinc/20/43/67/555204367.db2.gz	QPSPXPBDNQUPDE-GBXCKJPGSA-N	-1	0	484.940	4.377	50	5		JIBARM
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1	ZINC000022854907	555961747	/nfs/dbraw/zinc/96/17/47/555961747.db2.gz	HEHNYVGTJSWLQT-HXUWFJFHSA-N	-1	0	482.541	4.018	50	5		JIBARM
O=C1NC(=Cc2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[n-]c2-c2ccccc2)C(=O)N1Cc1cccc(F)c1	ZINC000096422935	569740445	/nfs/dbraw/zinc/74/04/45/569740445.db2.gz	CRDUREITWHICPS-HMAPJEAMSA-N	-1	0	499.458	4.385	50	5		JIBARM
O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000038528698	569802313	/nfs/dbraw/zinc/80/23/13/569802313.db2.gz	XGUOKHSBJCERPQ-OAQYLSRUSA-N	-1	0	463.402	4.167	50	5		JIBARM
O=C1[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000137717767	569865214	/nfs/dbraw/zinc/86/52/14/569865214.db2.gz	MUBGMWLUYWCMQE-PCCBWWKXSA-N	-1	0	467.840	4.438	50	5		JIBARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cc2cc3ccccc3cc2[nH]c1=O	ZINC000218062200	569882681	/nfs/dbraw/zinc/88/26/81/569882681.db2.gz	OPPBRRWQIRKQOL-KRWDZBQOSA-N	-1	0	481.460	4.445	50	5	biogenic	JIBARM
COc1ccc(-c2nn3c(CC4(CC(=O)[O-])CCCCC4)nc4cc(F)ccc4c3nc2=O)cc1	ZINC000225403045	569995141	/nfs/dbraw/zinc/99/51/41/569995141.db2.gz	DNMPKEBBHOZSOK-UHFFFAOYSA-N	-1	0	476.508	4.420	50	5		JIBARM
CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1	ZINC000229944529	570042671	/nfs/dbraw/zinc/04/26/71/570042671.db2.gz	XXIMKWSBZNDJIM-RBZQAINGSA-N	-1	0	473.485	4.435	50	5		JIBARM
C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)c1ccccc1	ZINC000239433791	570052390	/nfs/dbraw/zinc/05/23/90/570052390.db2.gz	YMFYMSAIWAKZOE-HKQJZWTQSA-N	-1	0	457.482	4.400	50	5		JIBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)no1	ZINC000001747992	194133700	/nfs/dbraw/zinc/13/37/00/194133700.db2.gz	RFNQANURKRPVAO-UHFFFAOYSA-N	-1	0	458.477	4.159	50	5		JIBARM
COc1ccccc1N1C(=O)[N-]C(=O)[C@](CCc2ccccn2)(Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000016293464	524535835	/nfs/dbraw/zinc/53/58/35/524535835.db2.gz	JIOBGFYZMGKNDA-VWLOTQADSA-N	-1	0	474.473	4.283	50	5		JIBARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000016095960	524646975	/nfs/dbraw/zinc/64/69/75/524646975.db2.gz	NAWFALNUQJQAOZ-UHFFFAOYSA-N	-1	0	461.883	4.310	50	5		JIBARM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000002251377	554115514	/nfs/dbraw/zinc/11/55/14/554115514.db2.gz	FJCVDFYPGRBGPC-UHFFFAOYSA-N	-1	0	458.268	4.227	50	5		JIBARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	ZINC000009096849	554895376	/nfs/dbraw/zinc/89/53/76/554895376.db2.gz	BJUSCSIKLAKIGT-UHFFFAOYSA-N	-1	0	496.545	4.257	50	5		JIBARM
Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000009707400	555430287	/nfs/dbraw/zinc/43/02/87/555430287.db2.gz	UTMZJZGZDQWERE-UHFFFAOYSA-N	-1	0	484.921	4.365	50	5		JIBARM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)c1	ZINC000009714629	555444213	/nfs/dbraw/zinc/44/42/13/555444213.db2.gz	GTXBNIVHPIJUIB-UHFFFAOYSA-N	-1	0	459.915	4.106	50	5		JIBARM
O=C(Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)NCC1(c2ccccc2)CCC1	ZINC000010117671	555628099	/nfs/dbraw/zinc/62/80/99/555628099.db2.gz	QZXHHDPQPBNXLZ-UHFFFAOYSA-N	-1	0	479.558	4.176	50	5		JIBARM
COc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl	ZINC000030840471	556375805	/nfs/dbraw/zinc/37/58/05/556375805.db2.gz	OEUGFOJYKRAJSP-VURMDHGXSA-N	-1	0	464.261	4.036	50	5		JIBARM
O=C([N-]c1c2ccccc2oc1C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])o1	ZINC000065329804	569674937	/nfs/dbraw/zinc/67/49/37/569674937.db2.gz	MUXUODICMIHVAO-UHFFFAOYSA-N	-1	0	478.436	4.288	50	5		JIBARM
CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccccc3)C2=O)[C@H]1c1ccccc1	ZINC000245325268	570064298	/nfs/dbraw/zinc/06/42/98/570064298.db2.gz	DQTVRLLVHDPTFZ-PXDATVDWSA-N	-1	0	456.458	4.438	50	5		JIBARM
CCN(CC)S(=O)(=O)c1cc2c(cc1Cl)nc1c(OC)cccc1c2SCC(=O)[O-]	ZINC000009427898	194769391	/nfs/dbraw/zinc/76/93/91/194769391.db2.gz	KBJACCFHOWIIHT-UHFFFAOYSA-N	-1	0	468.984	4.257	50	5		JIBARM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(O)cc2)ccc1Cl	ZINC000012659864	195079607	/nfs/dbraw/zinc/07/96/07/195079607.db2.gz	YSFQLLMHPQKKQJ-UHFFFAOYSA-N	-1	0	471.882	4.441	50	5		JIBARM
O=C([O-])c1ccccc1NC(=O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1	ZINC000008856295	526396551	/nfs/dbraw/zinc/39/65/51/526396551.db2.gz	XUXPKXYBGQUEJB-UHFFFAOYSA-N	-1	0	481.420	4.499	50	5		JIBARM
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)cc2)cc1	ZINC000089813326	527377548	/nfs/dbraw/zinc/37/75/48/527377548.db2.gz	ZBYACFRDLKIHBC-UHFFFAOYSA-N	-1	0	486.449	4.247	50	5		JIBARM
O=c1cc(-c2ccc([N+](=O)[O-])cc2)nc2cc(-c3ccc(I)cc3)[n-]n21	ZINC000000847584	553796723	/nfs/dbraw/zinc/79/67/23/553796723.db2.gz	FVSXRDFBFWQJEV-UHFFFAOYSA-N	-1	0	458.215	4.282	50	5		JIBARM
Cc1c([N+](=O)[O-])c(-c2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)nn1C	ZINC000002730836	554315002	/nfs/dbraw/zinc/31/50/02/554315002.db2.gz	VXFJGZVJHYCRGS-UHFFFAOYSA-N	-1	0	465.326	4.450	50	5		JIBARM
CC(C)C[C@H](Nc1c(C(=O)Nc2ccc(Cl)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000008809750	554688871	/nfs/dbraw/zinc/68/88/71/554688871.db2.gz	FPYNJWMJOAMMBC-HNNXBMFYSA-N	-1	0	450.835	4.320	50	5	biogenic,in-vitro	JIBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2OCc2c(F)cccc2Cl)[nH]1	ZINC000009235022	555008819	/nfs/dbraw/zinc/00/88/19/555008819.db2.gz	UPPGMYDDTDLKDT-GQCTYLIASA-N	-1	0	496.676	4.276	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1	ZINC000012560593	556052504	/nfs/dbraw/zinc/05/25/04/556052504.db2.gz	SSUQSFQERIDGJU-QFIPXVFZSA-N	-1	0	481.530	4.164	50	5		JIBARM
Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000012566283	556064194	/nfs/dbraw/zinc/06/41/94/556064194.db2.gz	BMHNXEKFHFYWIO-QGZVFWFLSA-N	-1	0	482.514	4.441	50	5		JIBARM
COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000012577177	556076359	/nfs/dbraw/zinc/07/63/59/556076359.db2.gz	GLZPNVUGSKAOCI-UHFFFAOYSA-N	-1	0	451.464	4.091	50	5		JIBARM
O=C([N-]n1c(=O)c2ccccc2nc1-c1ccc(Br)cc1)c1ccccc1[N+](=O)[O-]	ZINC000027522950	556286913	/nfs/dbraw/zinc/28/69/13/556286913.db2.gz	WHVQHSXGLGGXDI-UHFFFAOYSA-N	-1	0	465.263	4.118	50	5		JIBARM
O=C([O-])C(NC(=O)CSc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)(c1ccccc1)c1ccccc1	ZINC000003104962	194226017	/nfs/dbraw/zinc/22/60/17/194226017.db2.gz	ONXGFWUJOTYHPV-UHFFFAOYSA-N	-1	0	488.525	4.222	50	5		JIBARM
O=C(Nc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)cs1)c1ccc([N+](=O)[O-])o1	ZINC000003199289	194237869	/nfs/dbraw/zinc/23/78/69/194237869.db2.gz	KLZCBBFKVVTASU-UHFFFAOYSA-N	-1	0	469.391	4.317	50	5		JIBARM
COc1cccc(N2CCN(C(=O)c3oc4ccccc4c3[N-]C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1	ZINC000065329801	526152630	/nfs/dbraw/zinc/15/26/30/526152630.db2.gz	REKCMSNPIAVZDM-UHFFFAOYSA-N	-1	0	490.472	4.157	50	5		JIBARM
COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000002337061	554154669	/nfs/dbraw/zinc/15/46/69/554154669.db2.gz	HMOAEKLALWDJCU-UHFFFAOYSA-N	-1	0	481.490	4.100	50	5		JIBARM
COc1ccccc1[N-]S(=O)(=O)c1cc(Nc2ncccc2[N+](=O)[O-])ccc1N1CCCC1	ZINC000009120748	554914148	/nfs/dbraw/zinc/91/41/48/554914148.db2.gz	XNBCFLPLUMRMEQ-UHFFFAOYSA-N	-1	0	469.523	4.143	50	5		JIBARM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000009234665	555008614	/nfs/dbraw/zinc/00/86/14/555008614.db2.gz	PPNPGHICZKTISH-VMPITWQZSA-N	-1	0	478.288	4.426	50	5		JIBARM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Br)ccc1Br	ZINC000009468266	555247709	/nfs/dbraw/zinc/24/77/09/555247709.db2.gz	QHWOONQTEORIRT-UHFFFAOYSA-N	-1	0	450.108	4.229	50	5		JIBARM
O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000009507579	555292231	/nfs/dbraw/zinc/29/22/31/555292231.db2.gz	UJDOZTDGXXLWNL-UHFFFAOYSA-N	-1	0	495.922	4.134	50	5		JIBARM
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccccc3)nc21	ZINC000009714691	555444269	/nfs/dbraw/zinc/44/42/69/555444269.db2.gz	KTKIJXJRIJWMNM-UHFFFAOYSA-N	-1	0	484.515	4.266	50	5		JIBARM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCC4)nn3)cc2)c1	ZINC000009714679	555444355	/nfs/dbraw/zinc/44/43/55/555444355.db2.gz	FZKLCNDSRVRDMA-UHFFFAOYSA-N	-1	0	473.942	4.496	50	5		JIBARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000009714713	555444639	/nfs/dbraw/zinc/44/46/39/555444639.db2.gz	MRWCZTWNWLZLSQ-UHFFFAOYSA-N	-1	0	461.883	4.310	50	5		JIBARM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1Cl	ZINC000014186275	555727663	/nfs/dbraw/zinc/72/76/63/555727663.db2.gz	JTLUWPITICKFRL-UHFFFAOYSA-N	-1	0	495.966	4.467	50	5		JIBARM
Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1	ZINC000023157660	556025799	/nfs/dbraw/zinc/02/57/99/556025799.db2.gz	NHEMWABKNCAYPE-LJQANCHMSA-N	-1	0	484.969	4.278	50	5		JIBARM
CCN(Cc1cccs1)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000032722439	556475835	/nfs/dbraw/zinc/47/58/35/556475835.db2.gz	SKNUOZIQZHZBMQ-UHFFFAOYSA-N	-1	0	459.549	4.048	50	5		JIBARM
O=C(CN1C(=O)S/C(=C\c2c(Cl)cccc2Cl)C1=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000034804929	569661161	/nfs/dbraw/zinc/66/11/61/569661161.db2.gz	DONTUFCSMFMKKI-CHHVJCJISA-N	-1	0	468.274	4.282	50	5		JIBARM
C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)c1ccccc1	ZINC000100638944	569765903	/nfs/dbraw/zinc/76/59/03/569765903.db2.gz	YMFYMSAIWAKZOE-LUFNOOMBSA-N	-1	0	457.482	4.400	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1	ZINC000003569739	194338241	/nfs/dbraw/zinc/33/82/41/194338241.db2.gz	NKGQYBDQDZKDGT-UHFFFAOYSA-N	-1	0	461.883	4.310	50	5		JIBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)cc2)no1	ZINC000006142702	525288605	/nfs/dbraw/zinc/28/86/05/525288605.db2.gz	HNOWQSFDYFENCN-UHFFFAOYSA-N	-1	0	475.482	4.296	50	5		JIBARM
Cc1nn(CCc2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)c(C)c1[N+](=O)[O-]	ZINC000002730162	554314641	/nfs/dbraw/zinc/31/46/41/554314641.db2.gz	CZYSLLJRMVCVCP-UHFFFAOYSA-N	-1	0	458.935	4.144	50	5		JIBARM
O=[N+]([O-])c1nn(CCc2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)cc1Cl	ZINC000002731161	554315542	/nfs/dbraw/zinc/31/55/42/554315542.db2.gz	CCDJGGASVHXSCJ-UHFFFAOYSA-N	-1	0	465.326	4.181	50	5		JIBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)[C@@H]1CCC	ZINC000009240744	555016933	/nfs/dbraw/zinc/01/69/33/555016933.db2.gz	MXUQDSQHKAZUFL-NVQXNPDNSA-N	-1	0	494.548	4.204	50	5		JIBARM
Cc1ccc2nc(-c3cccc([N-]S(=O)(=O)c4cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c4)c3)cn2c1	ZINC000009327449	555097511	/nfs/dbraw/zinc/09/75/11/555097511.db2.gz	RDNPYUKAJRWTFS-UHFFFAOYSA-N	-1	0	467.463	4.235	50	5		JIBARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1	ZINC000009562893	555364481	/nfs/dbraw/zinc/36/44/81/555364481.db2.gz	BRZYPFKUZVEWEH-UHFFFAOYSA-N	-1	0	474.878	4.089	50	5		JIBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000009714330	555443280	/nfs/dbraw/zinc/44/32/80/555443280.db2.gz	GZXKFYJRFFNXRH-UHFFFAOYSA-N	-1	0	487.563	4.095	50	5		JIBARM
O=C(C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)N1CCC(Cc2ccccc2)CC1	ZINC000013941029	555652442	/nfs/dbraw/zinc/65/24/42/555652442.db2.gz	CEOXLYMRGCBIRS-XMMPIXPASA-N	-1	0	493.947	4.315	50	5		JIBARM
O=C([O-])c1cccc(NC(=O)c2ccc(Nc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1	ZINC000100246337	569756195	/nfs/dbraw/zinc/75/61/95/569756195.db2.gz	VAZANIDHDGBFOE-UHFFFAOYSA-N	-1	0	467.350	4.105	50	5		JIBARM
CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1	ZINC000022854835	522537933	/nfs/dbraw/zinc/53/79/33/522537933.db2.gz	JJSJFBDXCFGGLQ-FQEVSTJZSA-N	-1	0	482.541	4.018	50	5		JIBARM
COCc1oc2c(cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)c1C(=O)OC	ZINC000004149914	523283534	/nfs/dbraw/zinc/28/35/34/523283534.db2.gz	FNTDRZLEMHCITB-UHFFFAOYSA-N	-1	0	470.459	4.228	50	5		JIBARM
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000000859506	553801601	/nfs/dbraw/zinc/80/16/01/553801601.db2.gz	ANPLMQVZNTUZRC-UHFFFAOYSA-N	-1	0	476.308	4.410	50	5		JIBARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@@H]12	ZINC000008814966	554697029	/nfs/dbraw/zinc/69/70/29/554697029.db2.gz	FZCCZLXWUCTEQF-XXBNENTESA-N	-1	0	450.520	4.175	50	5		JIBARM
O=C1N[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1	ZINC000008915562	554809554	/nfs/dbraw/zinc/80/95/54/554809554.db2.gz	MSGHTQFMJZREGQ-MDZRGWNJSA-N	-1	0	481.408	4.020	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1	ZINC000009612646	555446185	/nfs/dbraw/zinc/44/61/85/555446185.db2.gz	RYQXCSYOPKVHRV-NRFANRHFSA-N	-1	0	481.530	4.212	50	5		JIBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-]	ZINC000014186185	555727557	/nfs/dbraw/zinc/72/75/57/555727557.db2.gz	DJBHMRQYZLJWDL-UHFFFAOYSA-N	-1	0	481.939	4.158	50	5		JIBARM
CCCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000096422930	569740471	/nfs/dbraw/zinc/74/04/71/569740471.db2.gz	ZLMXGBNDERRWNA-NDENLUEZSA-N	-1	0	481.896	4.185	50	5		JIBARM
CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)[nH]c1=O	ZINC000101494735	569799883	/nfs/dbraw/zinc/79/98/83/569799883.db2.gz	GBNVHYOIHDFOEC-LJQANCHMSA-N	-1	0	466.519	4.308	50	5		JIBARM
CCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1	ZINC000102756799	569821299	/nfs/dbraw/zinc/82/12/99/569821299.db2.gz	NMSXMQASPHSVCT-TZRRMPRUSA-N	-1	0	473.485	4.435	50	5		JIBARM
COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000229884270	570041742	/nfs/dbraw/zinc/04/17/42/570041742.db2.gz	OAHWDTQRGQNEJU-BHDDXSALSA-N	-1	0	479.876	4.308	50	5		JIBARM
Cc1cc(C)c(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@@H]43)C2=O)c(C)c1	ZINC000245324889	570063999	/nfs/dbraw/zinc/06/39/99/570063999.db2.gz	BSIRZOYRQMMDEZ-JXQVFYGUSA-N	-1	0	492.532	4.168	50	5		JIBARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000001165977	194057683	/nfs/dbraw/zinc/05/76/83/194057683.db2.gz	LROSSWNHMUUWKJ-NTUHNPAUSA-N	-1	0	467.503	4.365	50	5		JIBARM
Cc1c([C@H](c2ccccc2[N+](=O)[O-])c2c([O-])c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C	ZINC000004147978	194381421	/nfs/dbraw/zinc/38/14/21/194381421.db2.gz	VLGPPIPHLRXALI-QHCPKHFHSA-N	-1	0	483.480	4.385	50	5		JIBARM
CCCCn1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c2nc3ccccc3nc21	ZINC000006172850	521376983	/nfs/dbraw/zinc/37/69/83/521376983.db2.gz	IZCRLVJJCZPBMM-UHFFFAOYSA-N	-1	0	497.533	4.270	50	5		JIBARM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1OCc1cccc(F)c1	ZINC000016361351	521983743	/nfs/dbraw/zinc/98/37/43/521983743.db2.gz	CKOLOGAOLCQKDY-WAYWQWQTSA-N	-1	0	492.257	4.043	50	5		JIBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)c1	ZINC000016383148	527394941	/nfs/dbraw/zinc/39/49/41/527394941.db2.gz	IVLHZTGRLWDNOQ-UHFFFAOYSA-N	-1	0	483.527	4.350	50	5		JIBARM
Cc1cc([N+](=O)[O-])nn1[C@@H](C)c1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1	ZINC000002730760	554314939	/nfs/dbraw/zinc/31/49/39/554314939.db2.gz	KQEQTBUJOYOSOJ-NSHDSACASA-N	-1	0	462.898	4.341	50	5		JIBARM
O=[N+]([O-])c1cnn(Cc2ccc(-c3nnc([N-]c4ccn(Cc5ccccc5)n4)s3)cc2)c1	ZINC000002731562	554315923	/nfs/dbraw/zinc/31/59/23/554315923.db2.gz	WQZIOZFCFJCOTR-UHFFFAOYSA-N	-1	0	458.507	4.347	50	5		JIBARM
O=[N+]([O-])c1nn(Cc2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)cc1Cl	ZINC000002809198	554359330	/nfs/dbraw/zinc/35/93/30/554359330.db2.gz	NRCPDNCBBPXSMG-UHFFFAOYSA-N	-1	0	469.289	4.125	50	5		JIBARM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1Cl	ZINC000002814708	554362140	/nfs/dbraw/zinc/36/21/40/554362140.db2.gz	KRXFYQVFPJUGSJ-UHFFFAOYSA-N	-1	0	481.939	4.158	50	5		JIBARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@@H]12	ZINC000008814965	554697032	/nfs/dbraw/zinc/69/70/32/554697032.db2.gz	FZCCZLXWUCTEQF-AUSIDOKSSA-N	-1	0	450.520	4.175	50	5		JIBARM
Cc1nc2sccn2c1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000009115540	554902374	/nfs/dbraw/zinc/90/23/74/554902374.db2.gz	ZQZMOIXZFICNOC-UHFFFAOYSA-N	-1	0	476.923	4.298	50	5		JIBARM
O=C(C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)N1CCC(Cc2ccccc2)CC1	ZINC000009762498	555487786	/nfs/dbraw/zinc/48/77/86/555487786.db2.gz	CEOXLYMRGCBIRS-DEOSSOPVSA-N	-1	0	493.947	4.315	50	5		JIBARM
O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000012560381	556052317	/nfs/dbraw/zinc/05/23/17/556052317.db2.gz	CAHQPCBBYHCAHB-XTRLOZDISA-N	-1	0	478.461	4.491	50	5		JIBARM
COc1ccc(OC)c(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2OC)c1	ZINC000024211927	556127254	/nfs/dbraw/zinc/12/72/54/556127254.db2.gz	YFBYOZNAWVSAEC-UHFFFAOYSA-N	-1	0	473.507	4.034	50	5		JIBARM
Nc1c(Cl)cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)cc1Cl	ZINC000069589496	569693402	/nfs/dbraw/zinc/69/34/02/569693402.db2.gz	KFKGZZYWVXORRL-UHFFFAOYSA-N	-1	0	497.316	4.243	50	5		JIBARM
C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1ccccc1	ZINC000100574060	569765018	/nfs/dbraw/zinc/76/50/18/569765018.db2.gz	RADGSAFFTXGRGW-LUFNOOMBSA-N	-1	0	457.482	4.400	50	5		JIBARM
Cc1ccc(-c2nn(C(C)(C)C)c3ncnc([N-]S(=O)(=O)c4ccc([N+](=O)[O-])cc4)c23)cc1	ZINC000001404528	194115415	/nfs/dbraw/zinc/11/54/15/194115415.db2.gz	KJEPYMRAOUQKRE-UHFFFAOYSA-N	-1	0	466.523	4.266	50	5		JIBARM
O=C([O-])c1cccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccccc2Cl)c1	ZINC000002955993	194179624	/nfs/dbraw/zinc/17/96/24/194179624.db2.gz	DENSTBCUHZMADB-UDWIEESQSA-N	-1	0	465.849	4.356	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1	ZINC000009895435	195016819	/nfs/dbraw/zinc/01/68/19/195016819.db2.gz	NJFQUYNCYTXLNN-QFIPXVFZSA-N	-1	0	481.530	4.382	50	5		JIBARM
CC[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000016498356	522186329	/nfs/dbraw/zinc/18/63/29/522186329.db2.gz	QMSCRSGFTKKKGQ-MRXNPFEDSA-N	-1	0	469.519	4.025	50	5		JIBARM
O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000002583178	554237604	/nfs/dbraw/zinc/23/76/04/554237604.db2.gz	XGUOKHSBJCERPQ-NRFANRHFSA-N	-1	0	463.402	4.167	50	5		JIBARM
CC(C)(c1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1	ZINC000002730885	554314951	/nfs/dbraw/zinc/31/49/51/554314951.db2.gz	KFHZOZXUVKJQTI-UHFFFAOYSA-N	-1	0	462.898	4.207	50	5		JIBARM
O=C1S/C(=C\c2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000009311635	555088122	/nfs/dbraw/zinc/08/81/22/555088122.db2.gz	BNIFZGSLANTCEP-AUWJEWJLSA-N	-1	0	480.252	4.208	50	5		JIBARM
COc1cc2c(cc1OC)[C@@H](c1cccc([N+](=O)[O-])c1)N(C(=O)c1ccccc1C(=O)[O-])CC2	ZINC000013154108	555360088	/nfs/dbraw/zinc/36/00/88/555360088.db2.gz	CPDDBQBPGVENGG-HSZRJFAPSA-N	-1	0	462.458	4.098	50	5		JIBARM
COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000009714712	555444680	/nfs/dbraw/zinc/44/46/80/555444680.db2.gz	SFUINKYZAUBLPR-UHFFFAOYSA-N	-1	0	461.883	4.310	50	5		JIBARM
O=C1N[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1	ZINC000013598481	555529803	/nfs/dbraw/zinc/52/98/03/555529803.db2.gz	MSGHTQFMJZREGQ-GPMSIDNRSA-N	-1	0	481.408	4.020	50	5		JIBARM
CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000230003185	570043394	/nfs/dbraw/zinc/04/33/94/570043394.db2.gz	ABHSKXFQMILWRZ-RBZQAINGSA-N	-1	0	473.485	4.435	50	5		JIBARM
O=C([O-])CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000014632642	527596975	/nfs/dbraw/zinc/59/69/75/527596975.db2.gz	AVFZOZWSEAFFGO-QHCPKHFHSA-N	-1	0	489.484	4.305	50	5		JIBARM
CCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)[C@@H]1CC	ZINC000009433996	555204694	/nfs/dbraw/zinc/20/46/94/555204694.db2.gz	BXYJUGBSFJFRSE-GBXCKJPGSA-N	-1	0	484.940	4.377	50	5		JIBARM
COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)N(C(=O)c1ccccc1C(=O)[O-])CC2	ZINC000013154107	555360022	/nfs/dbraw/zinc/36/00/22/555360022.db2.gz	CPDDBQBPGVENGG-QHCPKHFHSA-N	-1	0	462.458	4.098	50	5		JIBARM
O=C(OCc1nc2ccccc2s1)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000009631576	555460805	/nfs/dbraw/zinc/46/08/05/555460805.db2.gz	PPHOYICPUFCOEH-UHFFFAOYSA-N	-1	0	469.500	4.362	50	5		JIBARM
CSc1nnc2c(n1)O[C@H](c1ccc([O-])c([N+](=O)[O-])c1)Nc1ccc(Br)cc1-2	ZINC000015016347	555857409	/nfs/dbraw/zinc/85/74/09/555857409.db2.gz	SNSZCDSWQHEBIY-OAHLLOKOSA-N	-1	0	462.285	4.140	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1	ZINC000012560591	556052588	/nfs/dbraw/zinc/05/25/88/556052588.db2.gz	SSUQSFQERIDGJU-JOCHJYFZSA-N	-1	0	481.530	4.164	50	5		JIBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)NCCC2=CCCCC2)cc1	ZINC000017335221	556259122	/nfs/dbraw/zinc/25/91/22/556259122.db2.gz	FMPPDMBQPDVKIR-UHFFFAOYSA-N	-1	0	459.524	4.025	50	5		JIBARM
O=C([O-])CCC(=O)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000096401698	130078390	/nfs/dbraw/zinc/07/83/90/130078390.db2.gz	CAHQPCBBYHCAHB-WDPMDDHKSA-N	-1	0	478.461	4.491	50	5		JIBARM
CC[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000016498353	522540792	/nfs/dbraw/zinc/54/07/92/522540792.db2.gz	QMSCRSGFTKKKGQ-INIZCTEOSA-N	-1	0	469.519	4.025	50	5		JIBARM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])ccc2Cl)cc1	ZINC000016115878	524686173	/nfs/dbraw/zinc/68/61/73/524686173.db2.gz	JECUIBKAZZBQFH-UHFFFAOYSA-N	-1	0	461.883	4.310	50	5		JIBARM
Cc1c([C@H](c2cccc([N+](=O)[O-])c2)c2c([O-])c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C	ZINC000004147917	525926556	/nfs/dbraw/zinc/92/65/56/525926556.db2.gz	PEOVJICOPOEQEQ-QHCPKHFHSA-N	-1	0	483.480	4.385	50	5		JIBARM
O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000006089001	527437025	/nfs/dbraw/zinc/43/70/25/527437025.db2.gz	RDEIPQZZZDLWLO-UHFFFAOYSA-N	-1	0	476.854	4.210	50	5		JIBARM
Cc1c(OCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])ccc2c3ccccc3c(=O)oc12	ZINC000002121138	554055921	/nfs/dbraw/zinc/05/59/21/554055921.db2.gz	CSYGMMBAZUTWOT-HXUWFJFHSA-N	-1	0	465.889	4.099	50	5	biogenic	JIBARM
Cc1nn(CCc2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)cc1[N+](=O)[O-]	ZINC000002731143	554315310	/nfs/dbraw/zinc/31/53/10/554315310.db2.gz	XXZMPUZEORSMGB-UHFFFAOYSA-N	-1	0	479.353	4.489	50	5		JIBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000002743101	554322705	/nfs/dbraw/zinc/32/27/05/554322705.db2.gz	HTKBDHQLFUZYIU-UHFFFAOYSA-N	-1	0	483.893	4.245	50	5		JIBARM
CC(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000008951414	554834242	/nfs/dbraw/zinc/83/42/42/554834242.db2.gz	ZLMWFEBCACAJAM-UHFFFAOYSA-N	-1	0	463.475	4.285	50	5		JIBARM
O=C1[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000008974518	554846141	/nfs/dbraw/zinc/84/61/41/554846141.db2.gz	PDOWDAVQWWOSJZ-GCJKJVERSA-N	-1	0	454.870	4.273	50	5		JIBARM
C[C@]12C[C@H](CC(C)(C)C1)N1c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@@H]12	ZINC000009186226	554958584	/nfs/dbraw/zinc/95/85/84/554958584.db2.gz	AODBAAYJCSXDOF-HDEPLQKNSA-N	-1	0	488.544	4.194	50	5		JIBARM
C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccccc1	ZINC000012564719	556060954	/nfs/dbraw/zinc/06/09/54/556060954.db2.gz	ANCNOXRNDJUZNF-CQSZACIVSA-N	-1	0	488.905	4.477	50	5		JIBARM
Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000012566284	556064143	/nfs/dbraw/zinc/06/41/43/556064143.db2.gz	BMHNXEKFHFYWIO-KRWDZBQOSA-N	-1	0	482.514	4.441	50	5		JIBARM
O=C([N-]c1c2ccccc2oc1C(=O)N1CCN(c2ccccc2F)CC1)c1ccc([N+](=O)[O-])o1	ZINC000065329807	569674941	/nfs/dbraw/zinc/67/49/41/569674941.db2.gz	IKQWWJVJVRZVLK-UHFFFAOYSA-N	-1	0	478.436	4.288	50	5		JIBARM
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000137721196	569865124	/nfs/dbraw/zinc/86/51/24/569865124.db2.gz	JOMCFRDCHSYCOG-BHDDXSALSA-N	-1	0	495.875	4.014	50	5		JIBARM
Cc1cc(C)c(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@@H]43)C2=O)c(C)c1	ZINC000245324888	570064004	/nfs/dbraw/zinc/06/40/04/570064004.db2.gz	BSIRZOYRQMMDEZ-BCFCWJPRSA-N	-1	0	492.532	4.168	50	5		JIBARM
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000003014720	194206866	/nfs/dbraw/zinc/20/68/66/194206866.db2.gz	OWDPXJVMBMUZAD-UHFFFAOYSA-N	-1	0	476.854	4.210	50	5		JIBARM
Cc1c([C@@H](c2ccccc2[N+](=O)[O-])c2c([O-])c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C	ZINC000004147970	194381334	/nfs/dbraw/zinc/38/13/34/194381334.db2.gz	VLGPPIPHLRXALI-HSZRJFAPSA-N	-1	0	483.480	4.385	50	5		JIBARM
O=C1CCCc2oc3c(cc([N-]S(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3Br)c21	ZINC000008765718	526986543	/nfs/dbraw/zinc/98/65/43/526986543.db2.gz	QYYCNWLLSQBDHR-UHFFFAOYSA-N	-1	0	465.281	4.423	50	5		JIBARM
Cc1cc([N+](=O)[O-])nn1Cc1nnc([N-]c2ccn(Cc3c(Cl)cccc3Cl)n2)s1	ZINC000002730679	554314651	/nfs/dbraw/zinc/31/46/51/554314651.db2.gz	FDKJPGUZGVQHRE-UHFFFAOYSA-N	-1	0	465.326	4.295	50	5		JIBARM
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1	ZINC000002730700	554314684	/nfs/dbraw/zinc/31/46/84/554314684.db2.gz	PDDYMBLIMQWSAZ-NSHDSACASA-N	-1	0	462.898	4.227	50	5		JIBARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@@H]3c3ccccc3)C2=O)c(C)c1	ZINC000009446565	555219535	/nfs/dbraw/zinc/21/95/35/555219535.db2.gz	OMTYQVAQPCYTCY-KCWPFWIISA-N	-1	0	484.512	4.215	50	5		JIBARM
CN(Cc1ccccc1Cl)C(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009546311	555341286	/nfs/dbraw/zinc/34/12/86/555341286.db2.gz	RVRLRXZYIAZVST-UHFFFAOYSA-N	-1	0	459.911	4.321	50	5		JIBARM
O=C(Nc1cccc(Br)c1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009714719	555444645	/nfs/dbraw/zinc/44/46/45/555444645.db2.gz	NJGPEOKTUDPWQV-UHFFFAOYSA-N	-1	0	476.308	4.410	50	5		JIBARM
CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C1=O	ZINC000229926305	570042314	/nfs/dbraw/zinc/04/23/14/570042314.db2.gz	WGZWDBGGJLQTEJ-YTFSRNRJSA-N	-1	0	459.458	4.045	50	5		JIBARM
O=C([O-])/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCC2)s1	ZINC000003264690	194256309	/nfs/dbraw/zinc/25/63/09/194256309.db2.gz	FXYYWIFZIMQCMX-RAXLEYEMSA-N	-1	0	456.929	4.110	50	5		JIBARM
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000002085242	554030743	/nfs/dbraw/zinc/03/07/43/554030743.db2.gz	QVXIIGHDBMSQCO-UHFFFAOYSA-N	-1	0	481.939	4.158	50	5		JIBARM
CC[C@H](c1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1	ZINC000002730153	554314645	/nfs/dbraw/zinc/31/46/45/554314645.db2.gz	TUSRQVSHDZIVAZ-OAHLLOKOSA-N	-1	0	462.898	4.423	50	5		JIBARM
Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000002805131	554355840	/nfs/dbraw/zinc/35/58/40/554355840.db2.gz	QLQAMDGZVUMLAD-UHFFFAOYSA-N	-1	0	454.430	4.276	50	5		JIBARM
Cc1nc2ccccc2c(=O)n1-c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000009707398	555430248	/nfs/dbraw/zinc/43/02/48/555430248.db2.gz	BSKYEUNGEINJJJ-UHFFFAOYSA-N	-1	0	470.894	4.057	50	5		JIBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3nsnc3c2)c1	ZINC000019076851	556327998	/nfs/dbraw/zinc/32/79/98/556327998.db2.gz	DFDMDXGMIIPXIG-UHFFFAOYSA-N	-1	0	479.503	4.087	50	5		JIBARM
Cc1ccc(NC(=O)C(=O)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@@H]2OC(=O)c3ccccc32)c(C)c1	ZINC000198724876	569873928	/nfs/dbraw/zinc/87/39/28/569873928.db2.gz	NTIQSSGVNSGONP-ZJSXRUAMSA-N	-1	0	472.453	4.130	50	5		JIBARM
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000229945781	570042575	/nfs/dbraw/zinc/04/25/75/570042575.db2.gz	IKRQVWJBYZXCQS-PWRODBHTSA-N	-1	0	467.840	4.438	50	5		JIBARM
O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000012351478	526306426	/nfs/dbraw/zinc/30/64/26/526306426.db2.gz	BBSAAJIMRIRWEU-NRFANRHFSA-N	-1	0	477.429	4.037	50	5		JIBARM
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(S(=O)(=O)[N-]c2cccc(O)c2)c1	ZINC000015685990	527374607	/nfs/dbraw/zinc/37/46/07/527374607.db2.gz	OZNIMYCGTQQCKS-UHFFFAOYSA-N	-1	0	492.307	4.116	50	5		JIBARM
Cc1nc([N-]c2ccc(Br)cn2)nc(Nc2ccc(Br)cn2)c1[N+](=O)[O-]	ZINC000006177608	554514981	/nfs/dbraw/zinc/51/49/81/554514981.db2.gz	PFNBWUZCPFHIPQ-UHFFFAOYSA-N	-1	0	481.108	4.495	50	5		JIBARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Nc2ccccc2[N+](=O)[O-])ccc1C	ZINC000009283125	555053644	/nfs/dbraw/zinc/05/36/44/555053644.db2.gz	VEIQXLMJIPCAHD-UHFFFAOYSA-N	-1	0	456.480	4.357	50	5		JIBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])cc1	ZINC000009492378	555272218	/nfs/dbraw/zinc/27/22/18/555272218.db2.gz	RGZXPNQOVIYERU-UHFFFAOYSA-N	-1	0	481.939	4.158	50	5		JIBARM
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)[C@@H]1CCC	ZINC000009510639	555300189	/nfs/dbraw/zinc/30/01/89/555300189.db2.gz	YAWCTUFQIZDGAG-OFVILXPXSA-N	-1	0	482.512	4.335	50	5		JIBARM
COC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1	ZINC000009562892	555364454	/nfs/dbraw/zinc/36/44/54/555364454.db2.gz	OTPHQUJMNBDVFH-UHFFFAOYSA-N	-1	0	489.893	4.088	50	5		JIBARM
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC(=S)NCc2ccccc2)c(C)c1	ZINC000009661873	555366354	/nfs/dbraw/zinc/36/63/54/555366354.db2.gz	QEPDAXSELALZAD-UHFFFAOYSA-N	-1	0	485.591	4.004	50	5		JIBARM
O=[N+]([O-])c1ccc(NCc2ccc3c(c2)OCO3)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000009579599	555383682	/nfs/dbraw/zinc/38/36/82/555383682.db2.gz	VDNSANZMGCIMCF-UHFFFAOYSA-N	-1	0	461.883	4.390	50	5		JIBARM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)c1	ZINC000009714643	555444297	/nfs/dbraw/zinc/44/42/97/555444297.db2.gz	BZKRTHSHHUBVMS-UHFFFAOYSA-N	-1	0	459.915	4.106	50	5		JIBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2OCc2ccccc2Cl)[nH]1	ZINC000032125467	556430059	/nfs/dbraw/zinc/43/00/59/556430059.db2.gz	LKWZFLQEKYHXCO-ALCCZGGFSA-N	-1	0	478.686	4.137	50	5		JIBARM
Cn1cnnc1Sc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc1[N+](=O)[O-]	ZINC000009662308	562956777	/nfs/dbraw/zinc/95/67/77/562956777.db2.gz	LDPAYQZTFRDLNI-MDWZMJQESA-N	-1	0	453.505	4.500	50	5		JIBARM
COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1OCC(=O)[O-]	ZINC000085875961	569715880	/nfs/dbraw/zinc/71/58/80/569715880.db2.gz	QCGCWWSETWORIY-UHFFFAOYSA-N	-1	0	463.446	4.050	50	5	biogenic	JIBARM
CC(=O)Nc1ccc(NC(=O)c2ccccc2[N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000100732450	569768114	/nfs/dbraw/zinc/76/81/14/569768114.db2.gz	CMQCKUOFZNABJY-UHFFFAOYSA-N	-1	0	480.393	4.366	50	5		JIBARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cc2cc3ccccc3cc2[nH]c1=O	ZINC000218062284	569882675	/nfs/dbraw/zinc/88/26/75/569882675.db2.gz	OPPBRRWQIRKQOL-QGZVFWFLSA-N	-1	0	481.460	4.445	50	5	biogenic	JIBARM
C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)c1ccccc1	ZINC000239433792	570052374	/nfs/dbraw/zinc/05/23/74/570052374.db2.gz	YMFYMSAIWAKZOE-TTZMFTMZSA-N	-1	0	457.482	4.400	50	5		JIBARM