smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(/C=C/S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1	ZINC000776445208	724146217	/nfs/dbraw/zinc/14/62/17/724146217.db2.gz	UQFWOQSVSAQLMQ-CMDGGOBGSA-N	-2	3	362.363	3.014	20	5		FGBDHL
CCSc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000071091826	494086748	/nfs/dbraw/zinc/08/67/48/494086748.db2.gz	RKGMVSSYYRURAG-UHFFFAOYSA-N	-2	3	354.409	3.213	20	5		FGBDHL
Cc1cc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c([O-])cc3C)ccc2[nH]1	ZINC000158910846	495614164	/nfs/dbraw/zinc/61/41/64/495614164.db2.gz	GLEUYGHAKFTTQS-UHFFFAOYSA-N	-2	3	361.379	3.199	20	5		FGBDHL
COc1cc(C)c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1C	ZINC000580595758	505793030	/nfs/dbraw/zinc/79/30/30/505793030.db2.gz	WDLZKXBCPIOQFC-UHFFFAOYSA-N	-2	3	366.395	3.035	20	5		FGBDHL
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl	ZINC000447343145	500594150	/nfs/dbraw/zinc/59/41/50/500594150.db2.gz	XBUUIWMSUPAKSG-UHFFFAOYSA-N	-2	3	370.770	3.056	20	5		FGBDHL
Cc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1OC(C)C	ZINC000610194375	507133796	/nfs/dbraw/zinc/13/37/96/507133796.db2.gz	AVVIBKOCYWVHAZ-UHFFFAOYSA-N	-2	3	366.395	3.197	20	5		FGBDHL
Cc1[n-][nH]c(=NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1-c1cccc(Cl)c1	ZINC000611557040	507737552	/nfs/dbraw/zinc/73/75/52/507737552.db2.gz	JKANCZKAUPECIE-UHFFFAOYSA-N	-2	3	372.768	3.327	20	5		FGBDHL
CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000525523945	714358374	/nfs/dbraw/zinc/35/83/74/714358374.db2.gz	ZYCVMKZUTHAUMB-UHFFFAOYSA-N	-2	3	366.395	3.279	20	5		FGBDHL
O=c1nc(C=Cc2ccc(Cl)c(Br)c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000486026276	502022688	/nfs/dbraw/zinc/02/26/88/502022688.db2.gz	DFHUROHWEZPDOY-RQOWECAXSA-N	-2	3	372.562	3.382	20	5		FGBDHL
CCSCc1cc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])no1	ZINC000186312261	495942773	/nfs/dbraw/zinc/94/27/73/495942773.db2.gz	GFECEAXWLMAITR-UHFFFAOYSA-N	-2	3	357.775	3.447	20	5		FGBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-n2cccc2)c1	ZINC000499181313	503351095	/nfs/dbraw/zinc/35/10/95/503351095.db2.gz	VFLFEFUROWIPEU-UHFFFAOYSA-N	-2	3	373.390	3.200	20	5		FGBDHL
O=C([N-]c1c([O-])c(Cl)cc(Cl)c1Cl)c1n[nH]cc1[N+](=O)[O-]	ZINC000127607811	494970180	/nfs/dbraw/zinc/97/01/80/494970180.db2.gz	YLWCIHWHDMILQF-UHFFFAOYSA-N	-2	3	351.533	3.236	20	5		FGBDHL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl	ZINC000325077966	498833021	/nfs/dbraw/zinc/83/30/21/498833021.db2.gz	XYGRQAHAMLRMLG-UHFFFAOYSA-N	-2	3	370.770	3.056	20	5		FGBDHL
O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1ccc([O-])c([N+](=O)[O-])c1	ZINC000443578417	500741395	/nfs/dbraw/zinc/74/13/95/500741395.db2.gz	SLIHMMASUYJYMW-UHFFFAOYSA-N	-2	3	358.228	3.157	20	5		FGBDHL
O=C(Nc1cc(F)cc(Cl)c1[O-])c1n[n-]c2ccc([N+](=O)[O-])cc21	ZINC000474429589	501833486	/nfs/dbraw/zinc/83/34/86/501833486.db2.gz	GJSRKCKEYJOTPB-UHFFFAOYSA-N	-2	3	350.693	3.222	20	5		FGBDHL
Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21	ZINC000472003320	502196772	/nfs/dbraw/zinc/19/67/72/502196772.db2.gz	RNCJRUQKUGWUII-UHFFFAOYSA-N	-2	3	354.322	3.038	20	5		FGBDHL
CC(C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1)=Cc1cccc([N+](=O)[O-])c1	ZINC000504728457	503609567	/nfs/dbraw/zinc/60/95/67/503609567.db2.gz	CSNGWBUWLGTVPS-HRCSPUOPSA-N	-2	3	355.350	3.143	20	5		FGBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)ccc1[O-]	ZINC000537156715	503821620	/nfs/dbraw/zinc/82/16/20/503821620.db2.gz	VMYFRVUIVZDVQB-UHFFFAOYSA-N	-2	3	359.363	3.096	20	5		FGBDHL
CCOc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl	ZINC000603981325	506680239	/nfs/dbraw/zinc/68/02/39/506680239.db2.gz	YWZXVIYMUZFUNF-UHFFFAOYSA-N	-2	3	372.786	3.153	20	5		FGBDHL
Cc1ccc(/C=C/S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000832930601	600691309	/nfs/dbraw/zinc/69/13/09/600691309.db2.gz	XXHHBRFMFDONMK-VOTSOKGWSA-N	-2	3	362.363	3.014	20	5		FGBDHL
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)ccc1[N+](=O)[O-]	ZINC000547896783	504259142	/nfs/dbraw/zinc/25/91/42/504259142.db2.gz	PAWZTBOLGHYKSN-UHFFFAOYSA-N	-2	3	370.770	3.056	20	5		FGBDHL
CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000068139055	494776822	/nfs/dbraw/zinc/77/68/22/494776822.db2.gz	FUEIKKKBFXVBKG-UHFFFAOYSA-N	-2	3	366.395	3.026	20	5		FGBDHL
Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000474308136	501784635	/nfs/dbraw/zinc/78/46/35/501784635.db2.gz	FRYGWIDUBQTFOE-UHFFFAOYSA-N	-2	3	370.770	3.056	20	5		FGBDHL
O=C(Nc1cc(Cl)c([O-])cc1F)c1n[n-]c2ccc([N+](=O)[O-])cc21	ZINC000557949443	505270025	/nfs/dbraw/zinc/27/00/25/505270025.db2.gz	HQZFJBCGWCEWAN-UHFFFAOYSA-N	-2	3	350.693	3.222	20	5		FGBDHL
Cc1cc(Br)c([O-])c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1	ZINC000507366832	503286026	/nfs/dbraw/zinc/28/60/26/503286026.db2.gz	CVXBLIOEZQNQMS-UHFFFAOYSA-N	-2	3	367.155	3.329	20	5		FGBDHL
COc1c(F)ccc(F)c1C(=O)[N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000542749457	504595584	/nfs/dbraw/zinc/59/55/84/504595584.db2.gz	UDKFPEIYDXQYFJ-UHFFFAOYSA-N	-2	3	358.684	3.493	20	5		FGBDHL
CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000511699056	503371680	/nfs/dbraw/zinc/37/16/80/503371680.db2.gz	RRCYBUBNMUOYCV-LLVKDONJSA-N	-2	3	366.395	3.279	20	5		FGBDHL
COc1cccc2c1n[n-]c2C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000436974257	500584547	/nfs/dbraw/zinc/58/45/47/500584547.db2.gz	XIWVYQCFSBJYBS-UHFFFAOYSA-N	-2	3	362.729	3.091	20	5		FGBDHL
COc1cccc2c(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])n[n-]c21	ZINC000436974257	500584549	/nfs/dbraw/zinc/58/45/49/500584549.db2.gz	XIWVYQCFSBJYBS-UHFFFAOYSA-N	-2	3	362.729	3.091	20	5		FGBDHL
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2cccc([O-])c2F)c1	ZINC000795346028	723583678	/nfs/dbraw/zinc/58/36/78/723583678.db2.gz	SSBXMQUGMQZNTO-UHFFFAOYSA-N	-2	3	364.713	3.033	20	5		FGBDHL
O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000796404128	723636465	/nfs/dbraw/zinc/63/64/65/723636465.db2.gz	LKDWNWJQUBVWDP-UHFFFAOYSA-N	-2	3	360.326	3.210	20	5		FGBDHL
O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(-c2ccncc2)on1	ZINC000186044480	495834867	/nfs/dbraw/zinc/83/48/67/495834867.db2.gz	ROETXWXPHAURIT-UHFFFAOYSA-N	-2	3	360.713	3.256	20	5		FGBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)ccc1[O-]	ZINC000442241213	500574452	/nfs/dbraw/zinc/57/44/52/500574452.db2.gz	YQLFEHXJKSKGQX-UHFFFAOYSA-N	-2	3	364.713	3.033	20	5		FGBDHL
CCC(=O)c1ccc([O-])c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1	ZINC000436661218	501181498	/nfs/dbraw/zinc/18/14/98/501181498.db2.gz	XVJFSCNJHNMADD-UHFFFAOYSA-N	-2	3	354.322	3.022	20	5		FGBDHL
Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc(C(=O)[O-])c1C	ZINC000485949482	501998174	/nfs/dbraw/zinc/99/81/74/501998174.db2.gz	FXFNKMCFDQIQSG-UHFFFAOYSA-N	-2	3	354.322	3.038	20	5		FGBDHL
O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nc2cccnc2s1	ZINC000469889130	502585675	/nfs/dbraw/zinc/58/56/75/502585675.db2.gz	NBKMTHKSBXJBNE-UHFFFAOYSA-N	-2	3	350.743	3.211	20	5		FGBDHL
CCc1oc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1C(=O)OC	ZINC000549343844	504796098	/nfs/dbraw/zinc/79/60/98/504796098.db2.gz	HOXBSMHNVZYWNZ-UHFFFAOYSA-N	-2	3	368.729	3.148	20	5		FGBDHL
O=C(Cc1ccc([O-])cc1Cl)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000180781089	496144634	/nfs/dbraw/zinc/14/46/34/496144634.db2.gz	ZPTUMMYPBZQNTQ-UHFFFAOYSA-N	-2	3	357.149	3.494	20	5		FGBDHL
CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000188563497	496832997	/nfs/dbraw/zinc/83/29/97/496832997.db2.gz	LLAPBFYBUIUSAT-UHFFFAOYSA-N	-2	3	358.322	3.213	20	5		FGBDHL
Cc1nc(C=Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[n-]c(=O)c1CC(=O)[O-]	ZINC000504722374	503608292	/nfs/dbraw/zinc/60/82/92/503608292.db2.gz	UZSIZKWUZMNJDX-ALCCZGGFSA-N	-2	3	357.366	3.320	20	5		FGBDHL
O=C(Nc1ccc(Br)cc1[O-])c1cc([O-])cc([N+](=O)[O-])c1	ZINC000541873287	504284635	/nfs/dbraw/zinc/28/46/35/504284635.db2.gz	NSMWTHVHEDIHBE-UHFFFAOYSA-N	-2	3	353.128	3.021	20	5		FGBDHL
O=C([N-]c1cc([N+](=O)[O-])ccc1[O-])c1cc(COc2ccccc2F)on1	ZINC000184835135	496550540	/nfs/dbraw/zinc/55/05/40/496550540.db2.gz	IVJTUAMKWHQPGH-UHFFFAOYSA-N	-2	3	373.296	3.259	20	5		FGBDHL
Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])c2)n1	ZINC000370579746	499233425	/nfs/dbraw/zinc/23/34/25/499233425.db2.gz	NHRDGFWTFFGXQW-UHFFFAOYSA-N	-2	3	366.333	3.024	20	5		FGBDHL
Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1OC(C)C	ZINC000447269252	500583275	/nfs/dbraw/zinc/58/32/75/500583275.db2.gz	AEVJQQLQEBSXLS-UHFFFAOYSA-N	-2	3	366.395	3.197	20	5		FGBDHL
CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000511696979	503371843	/nfs/dbraw/zinc/37/18/43/503371843.db2.gz	GGVQOOXJISRXFF-UHFFFAOYSA-N	-2	3	366.395	3.026	20	5		FGBDHL
CSc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C	ZINC000536990486	503772612	/nfs/dbraw/zinc/77/26/12/503772612.db2.gz	CZKCDEIORGIOHX-UHFFFAOYSA-N	-2	3	354.409	3.132	20	5		FGBDHL
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1Cl	ZINC000821192416	729067131	/nfs/dbraw/zinc/06/71/31/729067131.db2.gz	UQCDEYDKIIQXDH-UHFFFAOYSA-N	-2	3	364.713	3.033	20	5		FGBDHL
CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000158868647	495604593	/nfs/dbraw/zinc/60/45/93/495604593.db2.gz	UPPYVRPHHJPRII-UHFFFAOYSA-N	-2	3	369.374	3.061	20	5		FGBDHL
CCc1cccc(C)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000158905224	495613352	/nfs/dbraw/zinc/61/33/52/495613352.db2.gz	PYMLSVUZYYNGTA-UHFFFAOYSA-N	-2	3	350.396	3.280	20	5		FGBDHL
O=C([N-]c1n[n-]c(-c2c(F)cccc2F)n1)c1ccc([N+](=O)[O-])cc1F	ZINC000478316025	501940079	/nfs/dbraw/zinc/94/00/79/501940079.db2.gz	QSBIHEGWUJCWKU-UHFFFAOYSA-N	-2	3	363.255	3.050	20	5		FGBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1	ZINC000508220428	503456874	/nfs/dbraw/zinc/45/68/74/503456874.db2.gz	NWVUKGQKIISWTK-UHFFFAOYSA-N	-2	3	360.750	3.202	20	5		FGBDHL
Cc1cc(Cl)cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1[O-]	ZINC000157215561	496430335	/nfs/dbraw/zinc/43/03/35/496430335.db2.gz	SAEFUNMREGEZLD-UHFFFAOYSA-N	-2	3	370.814	3.247	20	5		FGBDHL
O=C([N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc([N+](=O)[O-])s1	ZINC000436628557	501173723	/nfs/dbraw/zinc/17/37/23/501173723.db2.gz	ICIVAAWPTOOGEV-UHFFFAOYSA-N	-2	3	365.758	3.053	20	5		FGBDHL
Cc1sc(C(=O)[N-]c2n[n-]c(-c3c(F)cccc3F)n2)cc1[N+](=O)[O-]	ZINC000479764432	502370689	/nfs/dbraw/zinc/37/06/89/502370689.db2.gz	SKYNDMYGNZJXBX-UHFFFAOYSA-N	-2	3	365.321	3.280	20	5		FGBDHL
O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000611555746	507737793	/nfs/dbraw/zinc/73/77/93/507737793.db2.gz	KWBQHROASSUCRB-UHFFFAOYSA-N	-2	3	358.741	3.018	20	5		FGBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)ccc1[O-]	ZINC000176726457	495764573	/nfs/dbraw/zinc/76/45/73/495764573.db2.gz	JYXIQPNAFLPRSK-UHFFFAOYSA-N	-2	3	364.713	3.033	20	5		FGBDHL
CSCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000544726893	504237104	/nfs/dbraw/zinc/23/71/04/504237104.db2.gz	YKOQGJAYHSZEAJ-UHFFFAOYSA-N	-2	3	368.436	3.273	20	5		FGBDHL
Cc1[n-][nH]c(=NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1-c1cccc(Cl)c1	ZINC000614266988	507434828	/nfs/dbraw/zinc/43/48/28/507434828.db2.gz	GHNQBDRPPNUZIF-UHFFFAOYSA-N	-2	3	372.768	3.327	20	5		FGBDHL
Cc1ccc(/C=C\S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1	ZINC000776560632	724159200	/nfs/dbraw/zinc/15/92/00/724159200.db2.gz	BVHIQNCBHCGCSY-KTKRTIGZSA-N	-2	3	362.363	3.014	20	5		FGBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F	ZINC000158907572	495613713	/nfs/dbraw/zinc/61/37/13/495613713.db2.gz	LUJJEJIKNPIPEJ-UHFFFAOYSA-N	-2	3	360.750	3.202	20	5		FGBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OC(F)F)c1	ZINC000508236431	503460241	/nfs/dbraw/zinc/46/02/41/503460241.db2.gz	LXRXVKHNLFVLON-UHFFFAOYSA-N	-2	3	374.321	3.011	20	5		FGBDHL
Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1[N+](=O)[O-]	ZINC000131522879	700816573	/nfs/dbraw/zinc/81/65/73/700816573.db2.gz	YTUFCPYIGBVDTQ-UHFFFAOYSA-N	-2	3	360.750	3.202	20	5		FGBDHL
CSCCc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000067899589	494686958	/nfs/dbraw/zinc/68/69/58/494686958.db2.gz	HNNTXZYXWOOUPW-UHFFFAOYSA-N	-2	3	368.436	3.007	20	5		FGBDHL
Cc1ccc(-c2nc([N-]C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n[n-]2)o1	ZINC000479462597	502266864	/nfs/dbraw/zinc/26/68/64/502266864.db2.gz	GWYIERWAHDVUOJ-UHFFFAOYSA-N	-2	3	353.294	3.280	20	5		FGBDHL
COc1cc(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)c([N+](=O)[O-])cc1[O-]	ZINC000417610898	500124425	/nfs/dbraw/zinc/12/44/25/500124425.db2.gz	ODZOOFUFNTZNLJ-NSHDSACASA-N	-2	3	360.366	3.499	20	5		FGBDHL
Cc1[n-][nH]c(=NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1-c1cccc(Cl)c1	ZINC000614267361	507434967	/nfs/dbraw/zinc/43/49/67/507434967.db2.gz	ZJHLNNMTNLPSLT-UHFFFAOYSA-N	-2	3	372.768	3.327	20	5		FGBDHL
CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000024100969	494605893	/nfs/dbraw/zinc/60/58/93/494605893.db2.gz	CYORDHMJWSIYMF-UHFFFAOYSA-N	-2	3	350.396	3.399	20	5		FGBDHL
CC(C)(C)c1nnsc1C(=O)[N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000189383405	497102618	/nfs/dbraw/zinc/10/26/18/497102618.db2.gz	UIDCZCUDDNNBOR-UHFFFAOYSA-N	-2	3	356.791	3.355	20	5		FGBDHL
CSCc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1	ZINC000499283478	503372554	/nfs/dbraw/zinc/37/25/54/503372554.db2.gz	YKQMXMYHFMWKLD-UHFFFAOYSA-N	-2	3	368.436	3.273	20	5		FGBDHL
O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cc(Cl)ccc1[O-]	ZINC000436677336	501186048	/nfs/dbraw/zinc/18/60/48/501186048.db2.gz	XEPOBBKIBSOXER-UHFFFAOYSA-N	-2	3	358.741	3.018	20	5		FGBDHL
C[C@H]1CCc2onc(C(=O)[N-]c3cc(Cl)cc([N+](=O)[O-])c3[O-])c2C1	ZINC000436894040	501228803	/nfs/dbraw/zinc/22/88/03/501228803.db2.gz	RKQDZPIIDOOJON-ZETCQYMHSA-N	-2	3	351.746	3.319	20	5		FGBDHL
CCCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1	ZINC000507007743	503211188	/nfs/dbraw/zinc/21/11/88/503211188.db2.gz	OQDHZJYQVXBHHV-UHFFFAOYSA-N	-2	3	366.395	3.198	20	5		FGBDHL
Cc1nc(C=Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[n-]c(=O)c1CC(=O)[O-]	ZINC000504722375	503608125	/nfs/dbraw/zinc/60/81/25/503608125.db2.gz	UZSIZKWUZMNJDX-FNORWQNLSA-N	-2	3	357.366	3.320	20	5		FGBDHL
CCCc1cc(=O)[n-]c(C(=Cc2cc(OC)c([O-])c([N+](=O)[O-])c2)CC)n1	ZINC000193618338	497429043	/nfs/dbraw/zinc/42/90/43/497429043.db2.gz	APGPOZQIZHZJGG-KPKJPENVSA-N	-2	3	359.382	3.295	20	5		FGBDHL
COc1cc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc(Cl)c1[O-]	ZINC000609337029	506858401	/nfs/dbraw/zinc/85/84/01/506858401.db2.gz	UZXXNXDHROUNNZ-IHWYPQMZSA-N	-2	3	350.714	3.226	20	5		FGBDHL
O=C(c1ccc([O-])cc1)C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1	ZINC000611253578	507581792	/nfs/dbraw/zinc/58/17/92/507581792.db2.gz	UNKSPMWOXZKXRR-UHFFFAOYSA-N	-2	3	356.378	3.101	20	5		FGBDHL
Cc1ccc(/C=C/S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1	ZINC000776560635	724159296	/nfs/dbraw/zinc/15/92/96/724159296.db2.gz	BVHIQNCBHCGCSY-MDZDMXLPSA-N	-2	3	362.363	3.014	20	5		FGBDHL
O=C(Nc1cc(Br)ccc1[O-])c1ccc([O-])c([N+](=O)[O-])c1	ZINC000119382245	495155499	/nfs/dbraw/zinc/15/54/99/495155499.db2.gz	MFFHMPJWGFGWIW-UHFFFAOYSA-N	-2	3	353.128	3.021	20	5		FGBDHL
COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)ccc1Cl	ZINC000432644557	500543119	/nfs/dbraw/zinc/54/31/19/500543119.db2.gz	TXHSVJCGTBTUMZ-UHFFFAOYSA-N	-2	3	372.786	3.072	20	5		FGBDHL
O=C(Nc1cc(Br)ccc1[O-])c1cccc([N+](=O)[O-])c1[O-]	ZINC000436788568	501211322	/nfs/dbraw/zinc/21/13/22/501211322.db2.gz	HKRBOXOSVKHQLY-UHFFFAOYSA-N	-2	3	353.128	3.021	20	5		FGBDHL
O=C(Nc1ccc(Br)cc1[O-])c1cc([N+](=O)[O-])ccc1[O-]	ZINC000541862394	504280393	/nfs/dbraw/zinc/28/03/93/504280393.db2.gz	UOMDQRPAFDMMPU-UHFFFAOYSA-N	-2	3	353.128	3.021	20	5		FGBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C2CC2)c1	ZINC000499506016	503421096	/nfs/dbraw/zinc/42/10/96/503421096.db2.gz	YNCUWFHUPKGEDD-UHFFFAOYSA-N	-2	3	366.370	3.426	20	5		FGBDHL
COc1ccc([O-])c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)c1	ZINC000775675861	724022101	/nfs/dbraw/zinc/02/21/01/724022101.db2.gz	LHJHUYQHUCDHNQ-UHFFFAOYSA-N	-2	3	372.786	3.072	20	5		FGBDHL
O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1cccc([N+](=O)[O-])c1[O-]	ZINC000443555192	500737863	/nfs/dbraw/zinc/73/78/63/500737863.db2.gz	COILGNBWQQSYHK-UHFFFAOYSA-N	-2	3	358.228	3.157	20	5		FGBDHL
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2c([O-])c(Cl)cc(Cl)c2Cl)n1	ZINC000436766652	501207482	/nfs/dbraw/zinc/20/74/82/501207482.db2.gz	SIRMASYCDVQNPC-UHFFFAOYSA-N	-2	3	365.560	3.246	20	5		FGBDHL
O=c1nc(C=Cc2ccc(Cl)cc2Br)c([N+](=O)[O-])c([O-])[n-]1	ZINC000486103129	502047101	/nfs/dbraw/zinc/04/71/01/502047101.db2.gz	MIWRQPKVAYSLAE-RQOWECAXSA-N	-2	3	372.562	3.382	20	5		FGBDHL
Cc1coc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c([O-])cc3C)cc12	ZINC000479564152	502298699	/nfs/dbraw/zinc/29/86/99/502298699.db2.gz	PJBPTXRCNUCTTO-UHFFFAOYSA-N	-2	3	362.363	3.464	20	5		FGBDHL
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-]	ZINC000327114621	498853110	/nfs/dbraw/zinc/85/31/10/498853110.db2.gz	OOFQTXYAHISWKL-UHFFFAOYSA-N	-2	3	370.770	3.056	20	5		FGBDHL
Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)ccc1[N+](=O)[O-]	ZINC000548198510	504366481	/nfs/dbraw/zinc/36/64/81/504366481.db2.gz	VGVAUVJPBCJDOJ-UHFFFAOYSA-N	-2	3	370.770	3.056	20	5		FGBDHL
CCCc1ccc(-c2cc(=NC(=O)c3cc([O-])ccc3[N+](=O)[O-])[nH][n-]2)cc1	ZINC000483220265	502317153	/nfs/dbraw/zinc/31/71/53/502317153.db2.gz	LAQYECRQJBMOPB-UHFFFAOYSA-N	-2	3	366.377	3.317	20	5		FGBDHL
O=C(Nc1cc(Br)ccc1[O-])c1cc([O-])cc([N+](=O)[O-])c1	ZINC000506781130	503171749	/nfs/dbraw/zinc/17/17/49/503171749.db2.gz	RMTYAZPMKFWRQO-UHFFFAOYSA-N	-2	3	353.128	3.021	20	5		FGBDHL
CCOc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)ccc1C	ZINC000551117130	505161108	/nfs/dbraw/zinc/16/11/08/505161108.db2.gz	UEWLVQGKJZPRTJ-UHFFFAOYSA-N	-2	3	366.395	3.117	20	5		FGBDHL
O=C([O-])c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1Cl	ZINC000238185313	497345695	/nfs/dbraw/zinc/34/56/95/497345695.db2.gz	VFBLCGMGLJYBTL-UHFFFAOYSA-N	-2	3	360.713	3.075	20	5		FGBDHL
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl	ZINC000324026441	498824147	/nfs/dbraw/zinc/82/41/47/498824147.db2.gz	NQTKTOGQHSKCMN-UHFFFAOYSA-N	-2	3	370.770	3.056	20	5		FGBDHL
O=C(Nc1cc(Br)ccc1[O-])c1cc([N+](=O)[O-])ccc1[O-]	ZINC000436957156	500579358	/nfs/dbraw/zinc/57/93/58/500579358.db2.gz	SFDYVYNOLUVONG-UHFFFAOYSA-N	-2	3	353.128	3.021	20	5		FGBDHL
Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000436163766	501081834	/nfs/dbraw/zinc/08/18/34/501081834.db2.gz	IONKCHJBGRCAJE-UHFFFAOYSA-N	-2	3	361.379	3.199	20	5		FGBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)F)c1	ZINC000156901996	496359467	/nfs/dbraw/zinc/35/94/67/496359467.db2.gz	FTLYLSFWSNNBEU-UHFFFAOYSA-N	-2	3	358.322	3.347	20	5		FGBDHL
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-]	ZINC000327082030	498851479	/nfs/dbraw/zinc/85/14/79/498851479.db2.gz	GVAIAFHPBUCGMT-UHFFFAOYSA-N	-2	3	370.770	3.056	20	5		FGBDHL
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(Cl)c1	ZINC000432197988	500482891	/nfs/dbraw/zinc/48/28/91/500482891.db2.gz	IFEURHBJVHDHRS-UHFFFAOYSA-N	-2	3	370.770	3.056	20	5		FGBDHL
O=c1nc(C=Cc2ccc(-c3ccncc3)cc2F)c([N+](=O)[O-])c([O-])[n-]1	ZINC000486030305	502023788	/nfs/dbraw/zinc/02/37/88/502023788.db2.gz	WDBPFTLFAIFNGK-ARJAWSKDSA-N	-2	3	354.297	3.168	20	5		FGBDHL
Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1Cl	ZINC000531600206	504358919	/nfs/dbraw/zinc/35/89/19/504358919.db2.gz	GMRZIQMBNAZCNG-UHFFFAOYSA-N	-2	3	370.770	3.056	20	5		FGBDHL
CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc(Cl)c1[O-]	ZINC000445409842	500981411	/nfs/dbraw/zinc/98/14/11/500981411.db2.gz	WYUPCTDZYBFVGL-UHFFFAOYSA-N	-2	3	350.718	3.398	20	5		FGBDHL
O=C(Nc1ccc(Br)cc1[O-])c1ccc([O-])c([N+](=O)[O-])c1	ZINC000541680042	504217677	/nfs/dbraw/zinc/21/76/77/504217677.db2.gz	PCBWLSMASFGQII-UHFFFAOYSA-N	-2	3	353.128	3.021	20	5		FGBDHL
O=C([O-])c1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1Cl	ZINC000604497348	506852890	/nfs/dbraw/zinc/85/28/90/506852890.db2.gz	NXBZCZZFZOSEFC-UHFFFAOYSA-N	-2	3	360.713	3.075	20	5		FGBDHL
CC(C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1)=Cc1cccc([N+](=O)[O-])c1	ZINC000504728458	503608921	/nfs/dbraw/zinc/60/89/21/503608921.db2.gz	CSNGWBUWLGTVPS-NJMVCRMVSA-N	-2	3	355.350	3.143	20	5		FGBDHL
CSc1ccc(C)c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000538296382	504194680	/nfs/dbraw/zinc/19/46/80/504194680.db2.gz	KOVSMVZDDZOBOF-UHFFFAOYSA-N	-2	3	354.409	3.132	20	5		FGBDHL
C[C@@H]1CCc2onc(C(=O)[N-]c3cc(Cl)cc([N+](=O)[O-])c3[O-])c2C1	ZINC000436894039	501228531	/nfs/dbraw/zinc/22/85/31/501228531.db2.gz	RKQDZPIIDOOJON-SSDOTTSWSA-N	-2	3	351.746	3.319	20	5		FGBDHL
O=c1nc(C=Cc2ccc(Cl)c(Br)c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000486026275	502022638	/nfs/dbraw/zinc/02/26/38/502022638.db2.gz	DFHUROHWEZPDOY-DUXPYHPUSA-N	-2	3	372.562	3.382	20	5		FGBDHL
O=c1nc(C=Cc2ccc(OC(F)F)c(Cl)c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000486103888	502048321	/nfs/dbraw/zinc/04/83/21/502048321.db2.gz	OHMUSINUHKMSLJ-HNQUOIGGSA-N	-2	3	359.672	3.221	20	5		FGBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccc[nH]2)cc1	ZINC000484089584	502567762	/nfs/dbraw/zinc/56/77/62/502567762.db2.gz	REYZHSCYPXBSQK-UHFFFAOYSA-N	-2	3	373.390	3.405	20	5		FGBDHL
CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1	ZINC000499288195	503372871	/nfs/dbraw/zinc/37/28/71/503372871.db2.gz	BFTVIPBEGJTIJQ-NSHDSACASA-N	-2	3	366.395	3.117	20	5		FGBDHL
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000158908704	495612960	/nfs/dbraw/zinc/61/29/60/495612960.db2.gz	PQFKUNTXJOCXDE-UHFFFAOYSA-N	-2	3	356.787	3.371	20	5		FGBDHL
Cc1[n-][nH]c(=NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1-c1cccc(Cl)c1	ZINC000610882108	507428904	/nfs/dbraw/zinc/42/89/04/507428904.db2.gz	LIFPAWFUTSJXDP-UHFFFAOYSA-N	-2	3	372.768	3.327	20	5		FGBDHL
CCSCc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000525013030	714315275	/nfs/dbraw/zinc/31/52/75/714315275.db2.gz	NCTYKOKXXLVVKY-UHFFFAOYSA-N	-2	3	368.436	3.354	20	5		FGBDHL
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c[n-]c2ccccc2c1=O	ZINC000180780488	496143093	/nfs/dbraw/zinc/14/30/93/496143093.db2.gz	CLTORAFSEPNYBK-UHFFFAOYSA-N	-2	3	359.725	3.048	20	5		FGBDHL
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cnc2ccccc2c1[O-]	ZINC000180780488	496143096	/nfs/dbraw/zinc/14/30/96/496143096.db2.gz	CLTORAFSEPNYBK-UHFFFAOYSA-N	-2	3	359.725	3.048	20	5		FGBDHL
CCCc1cc(=O)[n-]c(C(=Cc2cc(OC)c([O-])c([N+](=O)[O-])c2)CC)n1	ZINC000436962725	500580277	/nfs/dbraw/zinc/58/02/77/500580277.db2.gz	APGPOZQIZHZJGG-GHXNOFRVSA-N	-2	3	359.382	3.295	20	5		FGBDHL
CC(C)(C)c1nnc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1	ZINC000436702626	501191539	/nfs/dbraw/zinc/19/15/39/501191539.db2.gz	BBWZGDQEOJQEBL-UHFFFAOYSA-N	-2	3	356.791	3.355	20	5		FGBDHL
Cc1cc(C)c(-c2cc(=NC(=O)c3cc([O-])ccc3[N+](=O)[O-])[nH][n-]2)cc1C	ZINC000487593383	502486617	/nfs/dbraw/zinc/48/66/17/502486617.db2.gz	LGEZFJBQNMLACG-UHFFFAOYSA-N	-2	3	366.377	3.290	20	5		FGBDHL
CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000511699057	503371959	/nfs/dbraw/zinc/37/19/59/503371959.db2.gz	RRCYBUBNMUOYCV-NSHDSACASA-N	-2	3	366.395	3.279	20	5		FGBDHL
CCc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1F	ZINC000499293470	503373565	/nfs/dbraw/zinc/37/35/65/503373565.db2.gz	YINHUMRXTUTBGW-UHFFFAOYSA-N	-2	3	354.359	3.111	20	5		FGBDHL
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1Cl	ZINC000508216507	503456195	/nfs/dbraw/zinc/45/61/95/503456195.db2.gz	KXLQWZGPYKFPCX-UHFFFAOYSA-N	-2	3	356.787	3.371	20	5		FGBDHL
CC(C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1)=Cc1cccc([N+](=O)[O-])c1	ZINC000504728456	503608899	/nfs/dbraw/zinc/60/88/99/503608899.db2.gz	CSNGWBUWLGTVPS-BQGCWICQSA-N	-2	3	355.350	3.143	20	5		FGBDHL
Cc1ccc(/C=C\S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1	ZINC000776445209	724146439	/nfs/dbraw/zinc/14/64/39/724146439.db2.gz	UQFWOQSVSAQLMQ-HJWRWDBZSA-N	-2	3	362.363	3.014	20	5		FGBDHL
O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000485114827	502816471	/nfs/dbraw/zinc/81/64/71/502816471.db2.gz	VRBUTNCKQBURBX-UHFFFAOYSA-N	-2	3	365.305	3.084	20	5		FGBDHL
O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000485114827	502816473	/nfs/dbraw/zinc/81/64/73/502816473.db2.gz	VRBUTNCKQBURBX-UHFFFAOYSA-N	-2	3	365.305	3.084	20	5		FGBDHL
O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000485114827	502816474	/nfs/dbraw/zinc/81/64/74/502816474.db2.gz	VRBUTNCKQBURBX-UHFFFAOYSA-N	-2	3	365.305	3.084	20	5		FGBDHL
Cc1ccc(Cc2nnc([N-]C(=O)c3cc([O-])ccc3[N+](=O)[O-])s2)cc1	ZINC000497553324	502985948	/nfs/dbraw/zinc/98/59/48/502985948.db2.gz	MYRNRFSJLLEZEF-UHFFFAOYSA-N	-2	3	370.390	3.303	20	5		FGBDHL
CCCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000499178093	503350018	/nfs/dbraw/zinc/35/00/18/503350018.db2.gz	WFNNUIHOARUMBM-UHFFFAOYSA-N	-2	3	350.396	3.362	20	5		FGBDHL
CCc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1CC	ZINC000486088508	502043245	/nfs/dbraw/zinc/04/32/45/502043245.db2.gz	JLJPCXZBTVZPRF-UHFFFAOYSA-N	-2	3	350.396	3.226	20	5		FGBDHL
CCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)ccc1F	ZINC000507646080	503338065	/nfs/dbraw/zinc/33/80/65/503338065.db2.gz	VRXUIEHWYQLTJL-UHFFFAOYSA-N	-2	3	354.359	3.111	20	5		FGBDHL
CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c(C)c1	ZINC000499159284	503346526	/nfs/dbraw/zinc/34/65/26/503346526.db2.gz	SYCIIULZECANAO-UHFFFAOYSA-N	-2	3	366.395	3.117	20	5		FGBDHL
CSc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1	ZINC000508212713	503454676	/nfs/dbraw/zinc/45/46/76/503454676.db2.gz	VAOLIVDOKZOKLT-UHFFFAOYSA-N	-2	3	354.409	3.132	20	5		FGBDHL
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl	ZINC000324982475	498832886	/nfs/dbraw/zinc/83/28/86/498832886.db2.gz	SZBUCEAJCVOPBG-UHFFFAOYSA-N	-2	3	370.770	3.056	20	5		FGBDHL
Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])c2)n1	ZINC000378537484	499529355	/nfs/dbraw/zinc/52/93/55/499529355.db2.gz	DZEMFKCSEYEABI-UHFFFAOYSA-N	-2	3	366.333	3.024	20	5		FGBDHL
COc1cc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c([N+](=O)[O-])cc1[O-]	ZINC000417627030	500129224	/nfs/dbraw/zinc/12/92/24/500129224.db2.gz	PBNAEUIUNOPZBI-UHFFFAOYSA-N	-2	3	360.366	3.283	20	5		FGBDHL
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1	ZINC000131402139	700814719	/nfs/dbraw/zinc/81/47/19/700814719.db2.gz	CVXRXOVHWQYZKI-UHFFFAOYSA-N	-2	3	360.750	3.202	20	5		FGBDHL
O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000586803157	507677628	/nfs/dbraw/zinc/67/76/28/507677628.db2.gz	VOOKGQWCJNSTHW-XQRVVYSFSA-N	-2	3	358.335	3.168	20	5		FGBDHL
O=C([O-])c1cc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)cc([N+](=O)[O-])c1	ZINC000833300092	600689873	/nfs/dbraw/zinc/68/98/73/600689873.db2.gz	KKDVXMBPVWHTRL-UHFFFAOYSA-N	-2	3	374.374	3.022	20	5		FGBDHL
COc1cc(C)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1C	ZINC000447265897	500582298	/nfs/dbraw/zinc/58/22/98/500582298.db2.gz	UDNMOOFHTCQQTB-UHFFFAOYSA-N	-2	3	366.395	3.035	20	5		FGBDHL
CSCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1	ZINC000535032286	504320848	/nfs/dbraw/zinc/32/08/48/504320848.db2.gz	CKCIZRHKRQLTLA-UHFFFAOYSA-N	-2	3	368.436	3.273	20	5		FGBDHL
O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1coc(C2CCOCC2)n1	ZINC000477630640	501743999	/nfs/dbraw/zinc/74/39/99/501743999.db2.gz	AASSKSQZWXMBGK-UHFFFAOYSA-N	-2	3	367.745	3.088	20	5		FGBDHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(Cl)c1	ZINC000471130666	501930385	/nfs/dbraw/zinc/93/03/85/501930385.db2.gz	KXTVRICDVWJSGG-UHFFFAOYSA-N	-2	3	370.770	3.056	20	5		FGBDHL
Cc1cc(C)c(-c2cc(=NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)[nH][n-]2)cc1C	ZINC000515987757	503428823	/nfs/dbraw/zinc/42/88/23/503428823.db2.gz	QGGAIQGKVGPLRE-UHFFFAOYSA-N	-2	3	366.377	3.290	20	5		FGBDHL
O=c1nc(C=Cc2cc(Br)ccc2Cl)c([N+](=O)[O-])c([O-])[n-]1	ZINC000486107318	502049050	/nfs/dbraw/zinc/04/90/50/502049050.db2.gz	YCEZOGIKXBYUDB-DAFODLJHSA-N	-2	3	372.562	3.382	20	5		FGBDHL
O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000510646660	503163501	/nfs/dbraw/zinc/16/35/01/503163501.db2.gz	HKTPWDAIBXZYCR-UHFFFAOYSA-N	-2	3	374.353	3.134	20	5		FGBDHL
COc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1C	ZINC000435728067	501019066	/nfs/dbraw/zinc/01/90/66/501019066.db2.gz	HTLCRFFIOGBBNP-UHFFFAOYSA-N	-2	3	366.395	3.035	20	5		FGBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OC(C)C)c1	ZINC000451090443	501244917	/nfs/dbraw/zinc/24/49/17/501244917.db2.gz	OQJSUOCVMUFXGF-UHFFFAOYSA-N	-2	3	366.395	3.197	20	5		FGBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)ccc1[O-]	ZINC000499494069	503418827	/nfs/dbraw/zinc/41/88/27/503418827.db2.gz	KLZYKLCTUQMRAH-UHFFFAOYSA-N	-2	3	352.343	3.118	20	5		FGBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1	ZINC000508230286	503458843	/nfs/dbraw/zinc/45/88/43/503458843.db2.gz	DJSJPPUPGURGCW-UHFFFAOYSA-N	-2	3	374.321	3.011	20	5		FGBDHL
Cc1cc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000547872010	504255634	/nfs/dbraw/zinc/25/56/34/504255634.db2.gz	MQHNVHHELGWCFR-UHFFFAOYSA-N	-2	3	370.770	3.056	20	5		FGBDHL
O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000604522049	506860623	/nfs/dbraw/zinc/86/06/23/506860623.db2.gz	MNGSGQWJGSCQSO-UHFFFAOYSA-N	-2	3	358.741	3.018	20	5		FGBDHL
O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cc([N+](=O)[O-])cnc1[O-]	ZINC000533877054	562520445	/nfs/dbraw/zinc/52/04/45/562520445.db2.gz	YTCDPZCCLUAYOW-UHFFFAOYSA-N	-2	3	365.758	3.053	20	5		FGBDHL
O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000533877054	562520446	/nfs/dbraw/zinc/52/04/46/562520446.db2.gz	YTCDPZCCLUAYOW-UHFFFAOYSA-N	-2	3	365.758	3.053	20	5		FGBDHL
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl	ZINC000324985879	498832945	/nfs/dbraw/zinc/83/29/45/498832945.db2.gz	USWJLCAVQSKDPE-UHFFFAOYSA-N	-2	3	370.770	3.056	20	5		FGBDHL
O=C(Nc1ccc(Br)cc1[O-])c1cccc([N+](=O)[O-])c1[O-]	ZINC000531766541	504417875	/nfs/dbraw/zinc/41/78/75/504417875.db2.gz	VANXBIPLLJSKKG-UHFFFAOYSA-N	-2	3	353.128	3.021	20	5		FGBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1[O-]	ZINC000021363296	494494391	/nfs/dbraw/zinc/49/43/91/494494391.db2.gz	OQPVTBGRCYMHEU-UHFFFAOYSA-N	-2	3	362.285	3.120	20	5		FGBDHL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)ccc1[O-]	ZINC000024101150	494606398	/nfs/dbraw/zinc/60/63/98/494606398.db2.gz	LIPKLRGTYKGDHQ-UHFFFAOYSA-N	-2	3	362.285	3.120	20	5		FGBDHL
O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(-c2cccnc2)on1	ZINC000180783219	496144863	/nfs/dbraw/zinc/14/48/63/496144863.db2.gz	QSAGRGFVFWSXIQ-UHFFFAOYSA-N	-2	3	360.713	3.256	20	5		FGBDHL
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cc([O-])ccc1Br	ZINC000178989290	496637392	/nfs/dbraw/zinc/63/73/92/496637392.db2.gz	SWANHUKIQVNUPK-DAFODLJHSA-N	-2	3	365.139	3.327	20	5		FGBDHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cc1[N+](=O)[O-]	ZINC000391573469	499557286	/nfs/dbraw/zinc/55/72/86/499557286.db2.gz	OEHONKBXEGGIAU-UHFFFAOYSA-N	-2	3	370.770	3.056	20	5		FGBDHL
Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1	ZINC000474306360	501784759	/nfs/dbraw/zinc/78/47/59/501784759.db2.gz	FVULWKITBJMRDT-UHFFFAOYSA-N	-2	3	370.770	3.056	20	5		FGBDHL
O=c1nc(C=Cc2csc(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000486072306	502037745	/nfs/dbraw/zinc/03/77/45/502037745.db2.gz	DCNQYCLYNGWBOS-AATRIKPKSA-N	-2	3	360.326	3.229	20	5		FGBDHL
CCc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl	ZINC000507616974	503333157	/nfs/dbraw/zinc/33/31/57/503333157.db2.gz	MUZBGIVWKFKGLA-UHFFFAOYSA-N	-2	3	356.787	3.317	20	5		FGBDHL
CCCOc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1	ZINC000515695953	503386609	/nfs/dbraw/zinc/38/66/09/503386609.db2.gz	RSVBFMNFSLQNKK-UHFFFAOYSA-N	-2	3	366.395	3.198	20	5		FGBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1C	ZINC000158905814	495613446	/nfs/dbraw/zinc/61/34/46/495613446.db2.gz	GJYVTSJIJHWLGD-UHFFFAOYSA-N	-2	3	356.787	3.371	20	5		FGBDHL
O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436667342	501183641	/nfs/dbraw/zinc/18/36/41/501183641.db2.gz	TVEOVTKSAIZGHA-UHFFFAOYSA-N	-2	3	365.305	3.084	20	5		FGBDHL
O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436667342	501183642	/nfs/dbraw/zinc/18/36/42/501183642.db2.gz	TVEOVTKSAIZGHA-UHFFFAOYSA-N	-2	3	365.305	3.084	20	5		FGBDHL
O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436667342	501183644	/nfs/dbraw/zinc/18/36/44/501183644.db2.gz	TVEOVTKSAIZGHA-UHFFFAOYSA-N	-2	3	365.305	3.084	20	5		FGBDHL
CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(F)c1	ZINC000497880738	503060655	/nfs/dbraw/zinc/06/06/55/503060655.db2.gz	NMBDJMKHTNVHEG-UHFFFAOYSA-N	-2	3	370.358	3.028	20	5		FGBDHL
O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000552116058	505405800	/nfs/dbraw/zinc/40/58/00/505405800.db2.gz	HKRBNSACEFEMPB-UHFFFAOYSA-N	-2	3	374.353	3.134	20	5		FGBDHL
O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000586803156	507678354	/nfs/dbraw/zinc/67/83/54/507678354.db2.gz	VOOKGQWCJNSTHW-GQCTYLIASA-N	-2	3	358.335	3.168	20	5		FGBDHL
Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1[N+](=O)[O-]	ZINC000127876456	495011664	/nfs/dbraw/zinc/01/16/64/495011664.db2.gz	OFZZGJMJLYVONO-UHFFFAOYSA-N	-2	3	360.750	3.202	20	5		FGBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1Cl	ZINC000158914024	495614775	/nfs/dbraw/zinc/61/47/75/495614775.db2.gz	XZMQCLCSWVQIBV-UHFFFAOYSA-N	-2	3	360.750	3.202	20	5		FGBDHL
COc1cc(CNc2ccc([C@H](C)CC(=O)[O-])cc2)c([N+](=O)[O-])cc1[O-]	ZINC000417610897	500124414	/nfs/dbraw/zinc/12/44/14/500124414.db2.gz	ODZOOFUFNTZNLJ-LLVKDONJSA-N	-2	3	360.366	3.499	20	5		FGBDHL
COc1cc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c([N+](=O)[O-])cc1[O-]	ZINC000417613954	500125005	/nfs/dbraw/zinc/12/50/05/500125005.db2.gz	UOZWFGGKNAROMA-LLVKDONJSA-N	-2	3	360.366	3.184	20	5		FGBDHL
O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cc([O-])ccc1Cl	ZINC000431782803	500424616	/nfs/dbraw/zinc/42/46/16/500424616.db2.gz	GXKVQTBDIZIKFV-UHFFFAOYSA-N	-2	3	358.741	3.018	20	5		FGBDHL
O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1ccc([N+](=O)[O-])c([O-])c1	ZINC000443555439	500737845	/nfs/dbraw/zinc/73/78/45/500737845.db2.gz	BEBFPPZHULLCFU-UHFFFAOYSA-N	-2	3	358.228	3.157	20	5		FGBDHL
CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000435983128	501053837	/nfs/dbraw/zinc/05/38/37/501053837.db2.gz	YMJIHHMQGHGFRR-UHFFFAOYSA-N	-2	3	350.396	3.226	20	5		FGBDHL
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1	ZINC000436478668	501134315	/nfs/dbraw/zinc/13/43/15/501134315.db2.gz	NNTIROSFLLNFOT-UHFFFAOYSA-N	-2	3	362.285	3.120	20	5		FGBDHL
CC(C)(C(=O)[O-])c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1	ZINC000486285004	502111152	/nfs/dbraw/zinc/11/11/52/502111152.db2.gz	PZGJGEKMTKYKCW-UHFFFAOYSA-N	-2	3	368.349	3.086	20	5		FGBDHL
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1Cl	ZINC000508227507	503458718	/nfs/dbraw/zinc/45/87/18/503458718.db2.gz	USABYUWQZHIPBX-UHFFFAOYSA-N	-2	3	372.786	3.072	20	5		FGBDHL
O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1noc2c1CCCCC2	ZINC000157304591	496450361	/nfs/dbraw/zinc/45/03/61/496450361.db2.gz	CSXZSFUMIRPRAI-UHFFFAOYSA-N	-2	3	351.746	3.463	20	5		FGBDHL
O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1ccc([N+](=O)[O-])cc1[O-]	ZINC000442920998	500647484	/nfs/dbraw/zinc/64/74/84/500647484.db2.gz	IMFWCTYTSYYILT-UHFFFAOYSA-N	-2	3	358.228	3.157	20	5		FGBDHL
CC(C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1)=Cc1cccc([N+](=O)[O-])c1	ZINC000504728459	503608885	/nfs/dbraw/zinc/60/88/85/503608885.db2.gz	CSNGWBUWLGTVPS-VEQVDCDKSA-N	-2	3	355.350	3.143	20	5		FGBDHL
O=C([N-]c1n[n-]c(-c2ccc3ccccc3n2)n1)c1ccc([N+](=O)[O-])s1	ZINC000590556916	506859171	/nfs/dbraw/zinc/85/91/71/506859171.db2.gz	SJNDYVQKULPOHM-UHFFFAOYSA-N	-2	3	366.362	3.242	20	5		FGBDHL
COc1cc(CN=c2[n-]nc(-c3ccc(C)cc3C)o2)c([N+](=O)[O-])cc1[O-]	ZINC000582214057	506159971	/nfs/dbraw/zinc/15/99/71/506159971.db2.gz	RBFPBCVUNYGEHE-UHFFFAOYSA-N	-2	3	370.365	3.010	20	5		FGBDHL
O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc(Cl)cc1[O-]	ZINC000436693067	501189620	/nfs/dbraw/zinc/18/96/20/501189620.db2.gz	PXHOBDDGFCGQGX-UHFFFAOYSA-N	-2	3	358.741	3.018	20	5		FGBDHL
CSc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1C	ZINC000536990294	503772798	/nfs/dbraw/zinc/77/27/98/503772798.db2.gz	UBTXRDSUUJXXDL-UHFFFAOYSA-N	-2	3	368.436	3.440	20	5		FGBDHL
Cc1[n-][nH]c(=NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1-c1cccc(Cl)c1	ZINC000610354590	507209460	/nfs/dbraw/zinc/20/94/60/507209460.db2.gz	OWXVKZMPNBQSPK-UHFFFAOYSA-N	-2	3	372.768	3.327	20	5		FGBDHL
O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000614264461	507433894	/nfs/dbraw/zinc/43/38/94/507433894.db2.gz	PIDFSDPLSIUDIG-UHFFFAOYSA-N	-2	3	358.741	3.018	20	5		FGBDHL
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cc([O-])ccc1Br	ZINC000255710850	497373749	/nfs/dbraw/zinc/37/37/49/497373749.db2.gz	SWANHUKIQVNUPK-RJRFIUFISA-N	-2	3	365.139	3.327	20	5		FGBDHL
Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1OC(F)F	ZINC000513363778	502915237	/nfs/dbraw/zinc/91/52/37/502915237.db2.gz	KPSREKQXOMGNRK-UHFFFAOYSA-N	-2	3	374.321	3.011	20	5		FGBDHL
O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1cc([N+](=O)[O-])ccc1[O-]	ZINC000443575552	500740534	/nfs/dbraw/zinc/74/05/34/500740534.db2.gz	OMSJHXKJMNVPIO-UHFFFAOYSA-N	-2	3	358.228	3.157	20	5		FGBDHL
O=C([N-]c1nnc(Cc2ccccc2F)s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000511815172	503393637	/nfs/dbraw/zinc/39/36/37/503393637.db2.gz	VRLFYFXRCWCILW-UHFFFAOYSA-N	-2	3	374.353	3.134	20	5		FGBDHL
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1Cl	ZINC000530714051	504063043	/nfs/dbraw/zinc/06/30/43/504063043.db2.gz	SOUPLIWTNKSJGK-UHFFFAOYSA-N	-2	3	370.770	3.056	20	5		FGBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1F	ZINC000158909130	495613244	/nfs/dbraw/zinc/61/32/44/495613244.db2.gz	DQFCOSBLGCYDOZ-UHFFFAOYSA-N	-2	3	360.750	3.202	20	5		FGBDHL
COc1cc(CNc2ccc(CCCC(=O)[O-])cc2)c([N+](=O)[O-])cc1[O-]	ZINC000417579900	500115635	/nfs/dbraw/zinc/11/56/35/500115635.db2.gz	CADFTWOKORZMBG-UHFFFAOYSA-N	-2	3	360.366	3.328	20	5		FGBDHL
COc1c(C)ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1C	ZINC000499169016	503348340	/nfs/dbraw/zinc/34/83/40/503348340.db2.gz	QVPDZKAPQATBDI-UHFFFAOYSA-N	-2	3	366.395	3.035	20	5		FGBDHL
CCC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1	ZINC000499264540	503368856	/nfs/dbraw/zinc/36/88/56/503368856.db2.gz	HVQRQBIAHYDGAS-UHFFFAOYSA-N	-2	3	364.379	3.002	20	5		FGBDHL
CSc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1	ZINC000539400117	504557351	/nfs/dbraw/zinc/55/73/51/504557351.db2.gz	XXVVKLXXUGNNJR-UHFFFAOYSA-N	-2	3	368.436	3.440	20	5		FGBDHL
O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nc2cnccc2s1	ZINC000590445636	506826389	/nfs/dbraw/zinc/82/63/89/506826389.db2.gz	OKZGOVBCTFGZLJ-UHFFFAOYSA-N	-2	3	350.743	3.211	20	5		FGBDHL
Cc1ccc(/C=C\S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000832930600	600691470	/nfs/dbraw/zinc/69/14/70/600691470.db2.gz	XXHHBRFMFDONMK-SREVYHEPSA-N	-2	3	362.363	3.014	20	5		FGBDHL
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000158905527	495613390	/nfs/dbraw/zinc/61/33/90/495613390.db2.gz	UPOOXTOAVQTMJV-UHFFFAOYSA-N	-2	3	356.787	3.371	20	5		FGBDHL
CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[n-]c(-c3ccc(C)o3)n2)c1	ZINC000181884837	496586265	/nfs/dbraw/zinc/58/62/65/496586265.db2.gz	YFOYRDVROBYNDM-UHFFFAOYSA-N	-2	3	359.367	3.256	20	5		FGBDHL
O=c1nc(C=Cc2csc(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000486072307	502037625	/nfs/dbraw/zinc/03/76/25/502037625.db2.gz	DCNQYCLYNGWBOS-WAYWQWQTSA-N	-2	3	360.326	3.229	20	5		FGBDHL
O=c1nc(C=Cc2cc(Br)ccc2Cl)c([N+](=O)[O-])c([O-])[n-]1	ZINC000486107320	502049076	/nfs/dbraw/zinc/04/90/76/502049076.db2.gz	YCEZOGIKXBYUDB-RJRFIUFISA-N	-2	3	372.562	3.382	20	5		FGBDHL
O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000463179045	502713082	/nfs/dbraw/zinc/71/30/82/502713082.db2.gz	YAHOLTGDUYRLPW-UHFFFAOYSA-N	-2	3	369.181	3.003	20	5		FGBDHL
CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1	ZINC000499288194	503373049	/nfs/dbraw/zinc/37/30/49/503373049.db2.gz	BFTVIPBEGJTIJQ-LLVKDONJSA-N	-2	3	366.395	3.117	20	5		FGBDHL
O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1cc([O-])cc([N+](=O)[O-])c1	ZINC000443574137	500739783	/nfs/dbraw/zinc/73/97/83/500739783.db2.gz	KOGBMDFMKJAARI-UHFFFAOYSA-N	-2	3	358.228	3.157	20	5		FGBDHL
O=c1nc(C=Cc2ccc(Br)c(Cl)c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000486075038	502038141	/nfs/dbraw/zinc/03/81/41/502038141.db2.gz	HZLMHMADTUECLX-DUXPYHPUSA-N	-2	3	372.562	3.382	20	5		FGBDHL
O=c1nc(C=Cc2ccc(OC(F)F)c(Cl)c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000486103893	502047945	/nfs/dbraw/zinc/04/79/45/502047945.db2.gz	OHMUSINUHKMSLJ-IWQZZHSRSA-N	-2	3	359.672	3.221	20	5		FGBDHL
CCCOc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1	ZINC000499156354	503345728	/nfs/dbraw/zinc/34/57/28/503345728.db2.gz	PIPBPTDGUMAXTO-UHFFFAOYSA-N	-2	3	366.395	3.198	20	5		FGBDHL
O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(-c2ccccn2)no1	ZINC000541819753	504264149	/nfs/dbraw/zinc/26/41/49/504264149.db2.gz	TWUUDRSZWBSHOT-UHFFFAOYSA-N	-2	3	360.713	3.256	20	5		FGBDHL
CCCCc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000021363360	494494088	/nfs/dbraw/zinc/49/40/88/494494088.db2.gz	XKDOZFKFHHENPB-UHFFFAOYSA-N	-2	3	350.396	3.444	20	5		FGBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F	ZINC000158909303	495613550	/nfs/dbraw/zinc/61/35/50/495613550.db2.gz	RPVBEEKXRCYTKR-UHFFFAOYSA-N	-2	3	360.750	3.202	20	5		FGBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ncsc2c1	ZINC000179656017	495679180	/nfs/dbraw/zinc/67/91/80/495679180.db2.gz	PTCPSWNGRDMGPJ-UHFFFAOYSA-N	-2	3	365.392	3.019	20	5		FGBDHL
Cc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc(C)c1Cl	ZINC000442256620	500576464	/nfs/dbraw/zinc/57/64/64/500576464.db2.gz	YDSZPGNYZOKDSG-UHFFFAOYSA-N	-2	3	356.787	3.371	20	5		FGBDHL
O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000485107216	502815759	/nfs/dbraw/zinc/81/57/59/502815759.db2.gz	QIBHVBMLEAACOF-UHFFFAOYSA-N	-2	3	365.305	3.084	20	5		FGBDHL
O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000485107216	502815761	/nfs/dbraw/zinc/81/57/61/502815761.db2.gz	QIBHVBMLEAACOF-UHFFFAOYSA-N	-2	3	365.305	3.084	20	5		FGBDHL
O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000485107216	502815762	/nfs/dbraw/zinc/81/57/62/502815762.db2.gz	QIBHVBMLEAACOF-UHFFFAOYSA-N	-2	3	365.305	3.084	20	5		FGBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1	ZINC000508239752	503461482	/nfs/dbraw/zinc/46/14/82/503461482.db2.gz	FPADDVXVCZZSCD-UHFFFAOYSA-N	-2	3	366.395	3.197	20	5		FGBDHL
O=C([N-]c1cc([N+](=O)[O-])ccc1[O-])c1cc(-c2ccc3c(c2)CCO3)no1	ZINC000180768142	496138582	/nfs/dbraw/zinc/13/85/82/496138582.db2.gz	VOBOFRIUYDFJJX-UHFFFAOYSA-N	-2	3	367.317	3.143	20	5		FGBDHL
COc1cc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)c([N+](=O)[O-])cc1[O-]	ZINC000417613955	500125199	/nfs/dbraw/zinc/12/51/99/500125199.db2.gz	UOZWFGGKNAROMA-NSHDSACASA-N	-2	3	360.366	3.184	20	5		FGBDHL
COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c(C)cc1C	ZINC000478720692	502068642	/nfs/dbraw/zinc/06/86/42/502068642.db2.gz	JFSSKGKTLHQZEJ-UHFFFAOYSA-N	-2	3	366.395	3.035	20	5		FGBDHL
Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000515697349	503387228	/nfs/dbraw/zinc/38/72/28/503387228.db2.gz	NOUAQFOVTRPXMN-UHFFFAOYSA-N	-2	3	366.395	3.197	20	5		FGBDHL
Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1[N+](=O)[O-]	ZINC000161301318	496147583	/nfs/dbraw/zinc/14/75/83/496147583.db2.gz	WFOPJPZRUAERJD-UHFFFAOYSA-N	-2	3	360.750	3.202	20	5		FGBDHL
O=c1nc(C=Cc2ccc(-c3ccncc3)cc2F)c([N+](=O)[O-])c([O-])[n-]1	ZINC000486030307	502023274	/nfs/dbraw/zinc/02/32/74/502023274.db2.gz	WDBPFTLFAIFNGK-ONEGZZNKSA-N	-2	3	354.297	3.168	20	5		FGBDHL
O=c1nc(C=Cc2ccc(Br)c(Cl)c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000486075040	502037418	/nfs/dbraw/zinc/03/74/18/502037418.db2.gz	HZLMHMADTUECLX-RQOWECAXSA-N	-2	3	372.562	3.382	20	5		FGBDHL
CSc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1	ZINC000508219138	503457110	/nfs/dbraw/zinc/45/71/10/503457110.db2.gz	UDTGOLHVMIOWNS-UHFFFAOYSA-N	-2	3	354.409	3.132	20	5		FGBDHL
COc1cc([O-])cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1	ZINC000504059348	503516091	/nfs/dbraw/zinc/51/60/91/503516091.db2.gz	XZIGUIIDELILKE-UHFFFAOYSA-N	-2	3	372.786	3.072	20	5		FGBDHL
O=c1nc(C=Cc2ccc(Cl)cc2Br)c([N+](=O)[O-])c([O-])[n-]1	ZINC000486103128	502047356	/nfs/dbraw/zinc/04/73/56/502047356.db2.gz	MIWRQPKVAYSLAE-DUXPYHPUSA-N	-2	3	372.562	3.382	20	5		FGBDHL