smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000020802365	521278436	/nfs/dbraw/zinc/27/84/36/521278436.db2.gz	MKKSNLBGWHOXHE-MOPGFXCFSA-N	0	0	438.440	2.706	40	5		IFBBRN
COC(=O)c1cc(C(=O)OC)cc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)c1	ZINC000022607828	521817594	/nfs/dbraw/zinc/81/75/94/521817594.db2.gz	IATAVWRRIFEWCV-UHFFFAOYSA-N	0	0	428.404	2.760	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O	ZINC000022367472	525465885	/nfs/dbraw/zinc/46/58/85/525465885.db2.gz	VWKVZUOVJOYHFV-KRWDZBQOSA-N	0	0	433.486	2.563	40	5		IFBBRN
CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1	ZINC000408668485	556053954	/nfs/dbraw/zinc/05/39/54/556053954.db2.gz	LSYQAJYRNOWCRD-OAHLLOKOSA-N	0	0	441.440	2.837	40	5		IFBBRN
COc1ccccc1N1C(SCc2ccc([N+](=O)[O-])cc2)=N[C@H]2CS(=O)(=O)C[C@H]21	ZINC000032640673	556413019	/nfs/dbraw/zinc/41/30/19/556413019.db2.gz	OEXDRIWUCQPADP-DOTOQJQBSA-N	0	0	433.511	2.878	40	5		IFBBRN
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1	ZINC000408653946	556613511	/nfs/dbraw/zinc/61/35/11/556613511.db2.gz	QEALQNNXTZDKQW-RTBURBONSA-N	0	0	433.420	2.786	40	5		IFBBRN
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1	ZINC000408657983	556613896	/nfs/dbraw/zinc/61/38/96/556613896.db2.gz	KKWVBBNQEWAKME-OALUTQOASA-N	0	0	449.419	2.846	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1	ZINC000408657781	556613970	/nfs/dbraw/zinc/61/39/70/556613970.db2.gz	PJGWNLZMJHCEOH-OAHLLOKOSA-N	0	0	441.440	2.755	40	5		IFBBRN
CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1	ZINC000408670997	556614895	/nfs/dbraw/zinc/61/48/95/556614895.db2.gz	RIMBKALNTOEUEY-MRXNPFEDSA-N	0	0	439.424	2.641	40	5		IFBBRN
COc1ccc(-c2nnc(CN(C)C(=O)c3ccc(OC)c([N+](=O)[O-])c3)o2)cc1OC	ZINC000408714279	556617700	/nfs/dbraw/zinc/61/77/00/556617700.db2.gz	MTGMQPMOZVXSFN-UHFFFAOYSA-N	0	0	428.401	2.943	40	5		IFBBRN
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cccc([N+](=O)[O-])c3)sc2=N1	ZINC000409030344	556628445	/nfs/dbraw/zinc/62/84/45/556628445.db2.gz	FLWUZPKJQDKRCJ-LVSKKATPSA-N	0	0	449.488	2.707	40	5		IFBBRN
CC(=O)Oc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	ZINC000409178299	556633093	/nfs/dbraw/zinc/63/30/93/556633093.db2.gz	LYQYLBIIOZRYFY-UHFFFAOYSA-N	0	0	428.397	2.973	40	5		IFBBRN
CC(C)OCCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	ZINC000409255168	556636380	/nfs/dbraw/zinc/63/63/80/556636380.db2.gz	KQAGDVPCIXUFQM-UHFFFAOYSA-N	0	0	435.502	2.721	40	5		IFBBRN
Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000409339562	556637434	/nfs/dbraw/zinc/63/74/34/556637434.db2.gz	WFAPIOJGYCTJAT-UHFFFAOYSA-N	0	0	426.458	2.635	40	5		IFBBRN
COc1cccc(-n2ccc3nc4ccn(-c5nc(SC)n[nH]5)c(=O)c4cc3c2=O)c1	ZINC000040398895	556640879	/nfs/dbraw/zinc/64/08/79/556640879.db2.gz	VIQKRXLZJQYRAJ-UHFFFAOYSA-N	0	0	432.465	2.538	40	5		IFBBRN
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000013580767	556698829	/nfs/dbraw/zinc/69/88/29/556698829.db2.gz	WEDJOWSZCCQIGY-CYBMUJFWSA-N	0	0	437.449	2.782	40	5		IFBBRN
COc1cc([C@H]2N[C@H](c3ccc(O)c(OC)c3)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])ccc1O	ZINC000033929650	556742638	/nfs/dbraw/zinc/74/26/38/556742638.db2.gz	LWFVMHYOVYRDHE-WTGUMLROSA-N	0	0	447.444	2.817	40	5		IFBBRN
CC(C)COc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NCCO)cc1	ZINC000002272334	556799603	/nfs/dbraw/zinc/79/96/03/556799603.db2.gz	FEKSCGILUTXOGW-DEDYPNTBSA-N	0	0	427.457	2.509	40	5		IFBBRN
O=C1N/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccccc1F	ZINC000409098035	556953719	/nfs/dbraw/zinc/95/37/19/556953719.db2.gz	JWUTUMYLTUYSPK-PDGQHHTCSA-N	0	0	426.404	2.663	40	5		IFBBRN
COc1ccc(OC)c(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1	ZINC000220216497	557011823	/nfs/dbraw/zinc/01/18/23/557011823.db2.gz	FWGPYXASNUPRNV-CYBMUJFWSA-N	0	0	437.474	2.714	40	5		IFBBRN
CC(C)OCCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	ZINC000409310270	557057195	/nfs/dbraw/zinc/05/71/95/557057195.db2.gz	SXPZPUVFGYCFEQ-UHFFFAOYSA-N	0	0	435.502	2.721	40	5		IFBBRN
Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220422914	557154451	/nfs/dbraw/zinc/15/44/51/557154451.db2.gz	YALUAKKRCDMBFY-CVEARBPZSA-N	0	0	435.502	2.641	40	5		IFBBRN
CC1=C([C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)N[C@H]2C)S(=O)(=O)CC1[N+](=O)[O-]	ZINC000100929226	557201632	/nfs/dbraw/zinc/20/16/32/557201632.db2.gz	URKMBVGYVBCIRQ-YGWPLHOASA-N	0	0	441.509	2.674	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1	ZINC000014022867	557282510	/nfs/dbraw/zinc/28/25/10/557282510.db2.gz	RAZIHHUVHJJIKY-HNNXBMFYSA-N	0	0	433.486	2.951	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	ZINC000014019451	557282536	/nfs/dbraw/zinc/28/25/36/557282536.db2.gz	YCOCXLSHKAKJOG-ZDUSSCGKSA-N	0	0	437.449	2.782	40	5		IFBBRN
CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cccc(OC)c1)S(C)(=O)=O	ZINC000220620778	557354667	/nfs/dbraw/zinc/35/46/67/557354667.db2.gz	MIFIPYANPWDQQQ-KRWDZBQOSA-N	0	0	437.474	2.795	40	5		IFBBRN
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl	ZINC000408553784	557416462	/nfs/dbraw/zinc/41/64/62/557416462.db2.gz	QLZYZJCETDBCCL-LLVKDONJSA-N	0	0	427.866	2.871	40	5		IFBBRN
CO[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1	ZINC000004974944	557420659	/nfs/dbraw/zinc/42/06/59/557420659.db2.gz	NGKKKFKTIZCIEN-FGTMMUONSA-N	0	0	446.368	2.647	40	5		IFBBRN
COCc1n[nH]c(-n2ccc3nc4ccn([C@H]5CCC[C@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1	ZINC000223067332	557425106	/nfs/dbraw/zinc/42/51/06/557425106.db2.gz	ZEBJOQIMHOXXFJ-NJSLBKSFSA-N	0	0	434.500	2.962	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1	ZINC000408652214	557428210	/nfs/dbraw/zinc/42/82/10/557428210.db2.gz	FVFFLVVAZLOMCL-OAHLLOKOSA-N	0	0	441.440	2.755	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3[C@H]2C1=O	ZINC000103907253	557442608	/nfs/dbraw/zinc/44/26/08/557442608.db2.gz	LSBXBYVHMIJRLS-OTNPHJDUSA-N	0	0	433.420	2.582	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=Cc4ccccc4N3[C@H](C(C)=O)[C@H]2C1=O	ZINC000103907245	557442639	/nfs/dbraw/zinc/44/26/39/557442639.db2.gz	LSBXBYVHMIJRLS-RZXSNQJFSA-N	0	0	433.420	2.582	40	5		IFBBRN
CCOc1ccc([C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000044842510	557538533	/nfs/dbraw/zinc/53/85/33/557538533.db2.gz	HGRJEXVUERWNQO-HNNXBMFYSA-N	0	0	435.502	2.945	40	5		IFBBRN
COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000260805413	557858105	/nfs/dbraw/zinc/85/81/05/557858105.db2.gz	CODKCKWGFGDKIO-CABCVRRESA-N	0	0	435.502	2.944	40	5		IFBBRN
O=C(NCCN1CCN(c2ccccc2F)CC1)c1cccn2c(=O)c3ccccc3nc12	ZINC000058013918	563143258	/nfs/dbraw/zinc/14/32/58/563143258.db2.gz	QVXQFSMZRSYKHZ-UHFFFAOYSA-N	0	0	445.498	2.539	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222375223	568639465	/nfs/dbraw/zinc/63/94/65/568639465.db2.gz	XGQLCOCIIWUVBN-UHFFFAOYSA-N	0	0	436.446	2.996	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1ccc(F)cc1)S(C)(=O)=O	ZINC000222371275	568640216	/nfs/dbraw/zinc/64/02/16/568640216.db2.gz	PZHLCGAXKNNSLM-UHFFFAOYSA-N	0	0	439.465	2.605	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O	ZINC000222374075	568640474	/nfs/dbraw/zinc/64/04/74/568640474.db2.gz	TZLPVXRZKWHLTM-UHFFFAOYSA-N	0	0	435.458	2.817	40	5		IFBBRN
CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222520686	568650272	/nfs/dbraw/zinc/65/02/72/568650272.db2.gz	FFFVHKJEUUUHIQ-GOSISDBHSA-N	0	0	449.485	2.873	40	5		IFBBRN
CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222534776	568651422	/nfs/dbraw/zinc/65/14/22/568651422.db2.gz	VMCXHBOYJGBPOJ-SFHVURJKSA-N	0	0	435.502	2.773	40	5		IFBBRN
CC[C@@H](C(=O)NCCc1ccccc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222543782	568652153	/nfs/dbraw/zinc/65/21/53/568652153.db2.gz	ZNMANYCJQQFRKL-KRWDZBQOSA-N	0	0	435.502	2.507	40	5		IFBBRN
CC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222547498	568652321	/nfs/dbraw/zinc/65/23/21/568652321.db2.gz	WZJMBHJRUPPADM-KRWDZBQOSA-N	0	0	449.485	2.989	40	5		IFBBRN
CC[C@@H](C(=O)NCc1ccccc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222546287	568652351	/nfs/dbraw/zinc/65/23/51/568652351.db2.gz	VKQGHCMOYPBRDE-KRWDZBQOSA-N	0	0	435.502	2.773	40	5		IFBBRN
CC[C@H](C(=O)NCc1ccc(F)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222548674	568652667	/nfs/dbraw/zinc/65/26/67/568652667.db2.gz	GQLXSOYGGKNUAT-MRXNPFEDSA-N	0	0	439.465	2.604	40	5		IFBBRN
C[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222864025	568735836	/nfs/dbraw/zinc/73/58/36/568735836.db2.gz	QXBMOVYIWNQOFY-LBPRGKRZSA-N	0	0	447.498	2.907	40	5		IFBBRN
O=C(c1ccccc1)[C@@H]([C@H](c1cccc([N+](=O)[O-])c1)N1CCOCC1)N1CCOCC1	ZINC000031613435	568741086	/nfs/dbraw/zinc/74/10/86/568741086.db2.gz	UCZZLGBQZYHCMY-FCHUYYIVSA-N	0	0	425.485	2.552	40	5		IFBBRN
CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000222978079	568774392	/nfs/dbraw/zinc/77/43/92/568774392.db2.gz	JUIWQWDZRCPMFW-AWEZNQCLSA-N	0	0	433.436	2.675	40	5		IFBBRN
CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223099197	568779503	/nfs/dbraw/zinc/77/95/03/568779503.db2.gz	USWIUMFNJZIIMZ-SFHVURJKSA-N	0	0	429.473	2.844	40	5		IFBBRN
O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1	ZINC000003383814	568859596	/nfs/dbraw/zinc/85/95/96/568859596.db2.gz	BUINFSCHDHIIBN-UHFFFAOYSA-N	0	0	426.166	2.995	40	5		IFBBRN
Cc1c(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-]	ZINC000016250179	568874894	/nfs/dbraw/zinc/87/48/94/568874894.db2.gz	RKDDXNQUZWMOSO-UHFFFAOYSA-N	0	0	442.291	2.925	40	5		IFBBRN
COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c(OC)c1	ZINC000223763073	568877137	/nfs/dbraw/zinc/87/71/37/568877137.db2.gz	NRJPSCNNMGBSPX-UHFFFAOYSA-N	0	0	448.457	2.791	40	5		IFBBRN
CC[C@@H](C(=O)NCCSC1CCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000223777342	568877204	/nfs/dbraw/zinc/87/72/04/568877204.db2.gz	ZFYZEVVEMHMUSN-KRWDZBQOSA-N	0	0	429.564	2.931	40	5		IFBBRN
Cc1cccc(OCCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C	ZINC000223954677	568879929	/nfs/dbraw/zinc/87/99/29/568879929.db2.gz	YDKXARHYUWUIFB-INIZCTEOSA-N	0	0	435.502	2.561	40	5		IFBBRN
CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000223986085	568880364	/nfs/dbraw/zinc/88/03/64/568880364.db2.gz	KOABSPKPJAEHGI-KRWDZBQOSA-N	0	0	437.474	2.795	40	5		IFBBRN
Cc1ccc(C)c(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000224038647	568886065	/nfs/dbraw/zinc/88/60/65/568886065.db2.gz	IHOJQDZENUZDSQ-UHFFFAOYSA-N	0	0	449.529	2.953	40	5		IFBBRN
C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000060237300	568892679	/nfs/dbraw/zinc/89/26/79/568892679.db2.gz	KFRUDZOHZFJLLZ-DNVCBOLYSA-N	0	0	440.456	2.839	40	5		IFBBRN
Cc1cc(C)cc(OCCNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	ZINC000224100468	568905389	/nfs/dbraw/zinc/90/53/89/568905389.db2.gz	XTWKHNSJUPSUQG-QGZVFWFLSA-N	0	0	449.529	2.870	40	5		IFBBRN
CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3ccccc3Cl)c(O)c12	ZINC000016682629	568937315	/nfs/dbraw/zinc/93/73/15/568937315.db2.gz	QLVUYWXSVLLTJQ-WBVHZDCISA-N	0	0	442.815	2.546	40	5		IFBBRN
CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3ccccc3Cl)c(O)c12	ZINC000016682630	568937462	/nfs/dbraw/zinc/93/74/62/568937462.db2.gz	QLVUYWXSVLLTJQ-RDJZCZTQSA-N	0	0	442.815	2.546	40	5		IFBBRN
CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1	ZINC000138815000	569116030	/nfs/dbraw/zinc/11/60/30/569116030.db2.gz	BUQKXKCUOKSVLE-OAHLLOKOSA-N	0	0	441.440	2.701	40	5		IFBBRN
CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2	ZINC000139115743	569138514	/nfs/dbraw/zinc/13/85/14/569138514.db2.gz	IYRIBJQGEJMMKT-CHWSQXEVSA-N	0	0	440.460	2.512	40	5		IFBBRN
CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2	ZINC000139115875	569138576	/nfs/dbraw/zinc/13/85/76/569138576.db2.gz	IYRIBJQGEJMMKT-QWHCGFSZSA-N	0	0	440.460	2.512	40	5		IFBBRN
CCOc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	ZINC000017096901	569172928	/nfs/dbraw/zinc/17/29/28/569172928.db2.gz	ZDFMPKUVBPKQSG-UHFFFAOYSA-N	0	0	430.486	2.957	40	5		IFBBRN
CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224785212	569186891	/nfs/dbraw/zinc/18/68/91/569186891.db2.gz	QASIBENLJFRXGT-UHFFFAOYSA-N	0	0	437.430	2.878	40	5		IFBBRN
COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224791511	569187120	/nfs/dbraw/zinc/18/71/20/569187120.db2.gz	RZHPUOORVMPOEW-UHFFFAOYSA-N	0	0	443.821	2.833	40	5		IFBBRN
Cc1c(N(CCCC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000224861287	569190343	/nfs/dbraw/zinc/19/03/43/569190343.db2.gz	GOGXHDWVSOLPCA-UHFFFAOYSA-N	0	0	437.493	2.947	40	5		IFBBRN
CCOC(=O)CN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225000262	569210184	/nfs/dbraw/zinc/21/01/84/569210184.db2.gz	GWFMFDRHKVATDJ-UHFFFAOYSA-N	0	0	436.442	2.530	40	5		IFBBRN
CC(C)Sc1nnc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1	ZINC000225098965	569215942	/nfs/dbraw/zinc/21/59/42/569215942.db2.gz	WTKZILGTWWBPCK-JTQLQIEISA-N	0	0	445.548	2.740	40	5		IFBBRN
COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225093571	569215950	/nfs/dbraw/zinc/21/59/50/569215950.db2.gz	IICFKYHVRCUKMX-UHFFFAOYSA-N	0	0	443.821	2.833	40	5		IFBBRN
CCOc1ccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N3)cc1	ZINC000010295799	569222201	/nfs/dbraw/zinc/22/22/01/569222201.db2.gz	KDNVGPBXRSKJOW-GOSISDBHSA-N	0	0	432.400	2.837	40	5		IFBBRN
CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1	ZINC000021094942	569241524	/nfs/dbraw/zinc/24/15/24/569241524.db2.gz	ACPLTGDPBUTDTK-OAHLLOKOSA-N	0	0	441.440	2.837	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)[nH]c(=O)c21	ZINC000253566645	569284272	/nfs/dbraw/zinc/28/42/72/569284272.db2.gz	JENKXOHFQZBZKO-TZMCWYRMSA-N	0	0	440.460	2.842	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)[nH]c(=O)c21	ZINC000253566644	569284320	/nfs/dbraw/zinc/28/43/20/569284320.db2.gz	JENKXOHFQZBZKO-OCCSQVGLSA-N	0	0	440.460	2.842	40	5		IFBBRN
NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000008831322	569290953	/nfs/dbraw/zinc/29/09/53/569290953.db2.gz	YGXDVEMEYNYBTM-UHFFFAOYSA-N	0	0	446.466	2.629	40	5		IFBBRN
COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000113875861	569296890	/nfs/dbraw/zinc/29/68/90/569296890.db2.gz	PTVZRXGUZGQLQR-UHFFFAOYSA-N	0	0	429.248	2.726	40	5		IFBBRN
COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000113876995	569296901	/nfs/dbraw/zinc/29/69/01/569296901.db2.gz	WNEPCKALEGISST-UHFFFAOYSA-N	0	0	429.248	2.726	40	5		IFBBRN
COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000113877553	569296979	/nfs/dbraw/zinc/29/69/79/569296979.db2.gz	FMPQLTLJLWTGOV-UHFFFAOYSA-N	0	0	429.248	2.726	40	5		IFBBRN
CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000010010526	569299085	/nfs/dbraw/zinc/29/90/85/569299085.db2.gz	JSRJJTRNAPSSGJ-UHFFFAOYSA-N	0	0	432.864	2.934	40	5		IFBBRN
O=C(COc1ccc(Cl)cc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000027903373	569305846	/nfs/dbraw/zinc/30/58/46/569305846.db2.gz	LWYMYCKPLKLOSN-UHFFFAOYSA-N	0	0	434.905	2.850	40	5		IFBBRN
COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000260805415	569311468	/nfs/dbraw/zinc/31/14/68/569311468.db2.gz	CODKCKWGFGDKIO-GJZGRUSLSA-N	0	0	435.502	2.944	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O	ZINC000260953260	569312508	/nfs/dbraw/zinc/31/25/08/569312508.db2.gz	ZRSVXASAYBCBAH-CQSZACIVSA-N	0	0	447.513	2.736	40	5		IFBBRN
COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000020410936	569364060	/nfs/dbraw/zinc/36/40/60/569364060.db2.gz	UBQOCLMSDDQVTQ-UHFFFAOYSA-N	0	0	446.485	2.575	40	5		IFBBRN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(F)cc3)N3CCC[C@H]23)C1O	ZINC000217586205	569449352	/nfs/dbraw/zinc/44/93/52/569449352.db2.gz	WIQMGZPVMIKVIS-ZRNYENFQSA-N	0	0	437.427	2.877	40	5		IFBBRN
CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O	ZINC000032125032	569460340	/nfs/dbraw/zinc/46/03/40/569460340.db2.gz	NEQHTEDHZAIDGG-NVNXTCNLSA-N	0	0	440.499	2.915	40	5		IFBBRN
Cc1c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cccc1[N+](=O)[O-]	ZINC000038860259	569469356	/nfs/dbraw/zinc/46/93/56/569469356.db2.gz	ZILCYCLFSXMFKR-INIZCTEOSA-N	0	0	425.850	2.722	40	5		IFBBRN
CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000040390473	569501129	/nfs/dbraw/zinc/50/11/29/569501129.db2.gz	CJOBDRHFBIITQY-HIFRSBDPSA-N	0	0	440.460	2.512	40	5		IFBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21	ZINC000040399726	569501163	/nfs/dbraw/zinc/50/11/63/569501163.db2.gz	BXWJDFVZYPXCED-AWEZNQCLSA-N	0	0	438.375	2.625	40	5		IFBBRN
CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2	ZINC000040390574	569501171	/nfs/dbraw/zinc/50/11/71/569501171.db2.gz	IYRIBJQGEJMMKT-STQMWFEESA-N	0	0	440.460	2.512	40	5		IFBBRN
CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223233419	193955250	/nfs/dbraw/zinc/95/52/50/193955250.db2.gz	DFVZAOCPGCTHHC-QGZVFWFLSA-N	0	0	433.436	2.675	40	5		IFBBRN
CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223233361	193955318	/nfs/dbraw/zinc/95/53/18/193955318.db2.gz	DFVZAOCPGCTHHC-KRWDZBQOSA-N	0	0	433.436	2.675	40	5		IFBBRN
CC1(C)C[C@@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc2O1	ZINC000022347968	520517898	/nfs/dbraw/zinc/51/78/98/520517898.db2.gz	GIZMVXXYIYCDLG-QGZVFWFLSA-N	0	0	433.486	2.779	40	5		IFBBRN
CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020802129	521092496	/nfs/dbraw/zinc/09/24/96/521092496.db2.gz	IOTGKBWDFPBPKZ-OALUTQOASA-N	0	0	438.440	2.706	40	5		IFBBRN
COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C1=O)CC2	ZINC000022609377	523030832	/nfs/dbraw/zinc/03/08/32/523030832.db2.gz	SXDSPKMFYHTOEW-GOSISDBHSA-N	0	0	425.441	2.611	40	5		IFBBRN
COc1ccc(NC(=O)CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1	ZINC000012644380	524492929	/nfs/dbraw/zinc/49/29/29/524492929.db2.gz	GAIMGSAPHNKZCA-UHFFFAOYSA-N	0	0	445.451	2.967	40	5		IFBBRN
CS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	ZINC000022347914	525150418	/nfs/dbraw/zinc/15/04/18/525150418.db2.gz	GJLXLWNKSYYGGE-UHFFFAOYSA-N	0	0	425.894	2.763	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O	ZINC000022391072	525466927	/nfs/dbraw/zinc/46/69/27/525466927.db2.gz	OUSVGFGCSKWKCB-UHFFFAOYSA-N	0	0	437.474	2.795	40	5		IFBBRN
CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000408668933	556054663	/nfs/dbraw/zinc/05/46/63/556054663.db2.gz	VWVFWEGIVQTNOU-CQSZACIVSA-N	0	0	427.413	2.528	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)c1	ZINC000408672834	556061709	/nfs/dbraw/zinc/06/17/09/556061709.db2.gz	XKAUTTSVWNWBLE-HNNXBMFYSA-N	0	0	441.440	2.755	40	5		IFBBRN
Cc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000034799052	556582644	/nfs/dbraw/zinc/58/26/44/556582644.db2.gz	MJFBFVYLUHLRPZ-ZVVFGRKBSA-N	0	0	446.463	2.643	40	5		IFBBRN
Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)cc3)CC2=O)cc1[N+](=O)[O-]	ZINC000408656955	556613967	/nfs/dbraw/zinc/61/39/67/556613967.db2.gz	HYGGTFXURROTNZ-CQSZACIVSA-N	0	0	437.408	2.515	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(C)c2C)CC1=O	ZINC000408672389	556614222	/nfs/dbraw/zinc/61/42/22/556614222.db2.gz	WGXDEYMQFKMHBV-HNNXBMFYSA-N	0	0	441.440	2.755	40	5		IFBBRN
CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1	ZINC000408672755	556614506	/nfs/dbraw/zinc/61/45/06/556614506.db2.gz	ZWKZNCBIMVXLSX-CQSZACIVSA-N	0	0	427.413	2.528	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c(C)c2)CC1=O	ZINC000408671019	556614869	/nfs/dbraw/zinc/61/48/69/556614869.db2.gz	RSMCTXFDTXDMCT-OAHLLOKOSA-N	0	0	441.440	2.755	40	5		IFBBRN
CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC000408672814	556615525	/nfs/dbraw/zinc/61/55/25/556615525.db2.gz	XEEZDOSHVLFMAU-OAHLLOKOSA-N	0	0	441.440	2.837	40	5		IFBBRN
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)CCC1=O	ZINC000408689548	556616280	/nfs/dbraw/zinc/61/62/80/556616280.db2.gz	YNAKPZCAUAPGBQ-UHFFFAOYSA-N	0	0	432.776	2.863	40	5		IFBBRN
COc1ccc(-c2nnc(CN(C)C(=O)COc3ccc([N+](=O)[O-])cc3)o2)cc1OC	ZINC000408714427	556617198	/nfs/dbraw/zinc/61/71/98/556617198.db2.gz	QLVHTACSNMJZCJ-UHFFFAOYSA-N	0	0	428.401	2.699	40	5		IFBBRN
O=C(COC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000408737870	556619189	/nfs/dbraw/zinc/61/91/89/556619189.db2.gz	PJGBUNZZTJBADX-KRWDZBQOSA-N	0	0	426.381	2.649	40	5		IFBBRN
CO[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CO1	ZINC000005049004	556626480	/nfs/dbraw/zinc/62/64/80/556626480.db2.gz	DWYWYUISCFNJMR-RCCFBDPRSA-N	0	0	446.368	2.647	40	5		IFBBRN
COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl	ZINC000409265250	556636371	/nfs/dbraw/zinc/63/63/71/556636371.db2.gz	ROUQXCJGWYBMMH-UHFFFAOYSA-N	0	0	427.866	2.970	40	5		IFBBRN
CC(C)OCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000409312008	556636977	/nfs/dbraw/zinc/63/69/77/556636977.db2.gz	JECQZMPGUJGLIM-UHFFFAOYSA-N	0	0	435.502	2.721	40	5		IFBBRN
CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000013715625	556715126	/nfs/dbraw/zinc/71/51/26/556715126.db2.gz	VZHIUGDNVKBDTK-MRXNPFEDSA-N	0	0	425.438	2.926	40	5		IFBBRN
CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(OC)cc1	ZINC000220036577	556810427	/nfs/dbraw/zinc/81/04/27/556810427.db2.gz	SIVTUOQKFJXSDB-KRWDZBQOSA-N	0	0	435.502	2.945	40	5		IFBBRN
O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000409024808	556925297	/nfs/dbraw/zinc/92/52/97/556925297.db2.gz	HOEJUKCJBIEIQW-UHFFFAOYSA-N	0	0	429.498	2.901	40	5		IFBBRN
Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2C)c1	ZINC000409126521	556965419	/nfs/dbraw/zinc/96/54/19/556965419.db2.gz	BWDUNMXFQZICIB-UHFFFAOYSA-N	0	0	440.485	2.693	40	5		IFBBRN
O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccc2c(c1)OCO2	ZINC000409157168	556980177	/nfs/dbraw/zinc/98/01/77/556980177.db2.gz	UKZXHNARKXVSTM-FRKPEAEDSA-N	0	0	427.394	2.999	40	5		IFBBRN
COc1ccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(OC)c1	ZINC000220381307	557133901	/nfs/dbraw/zinc/13/39/01/557133901.db2.gz	QBLARYSPKYGDFY-ZDUSSCGKSA-N	0	0	437.474	2.714	40	5		IFBBRN
CCOC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000220381076	557133913	/nfs/dbraw/zinc/13/39/13/557133913.db2.gz	WWOGXJIMZLXHJR-CQSZACIVSA-N	0	0	449.485	2.873	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O	ZINC000220389972	557134519	/nfs/dbraw/zinc/13/45/19/557134519.db2.gz	DQBMUVOJENFNNY-CYBMUJFWSA-N	0	0	436.446	2.913	40	5		IFBBRN
CCOc1ccccc1CNC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000220394934	557135872	/nfs/dbraw/zinc/13/58/72/557135872.db2.gz	ISIKEVMWHQVQLE-HNNXBMFYSA-N	0	0	435.502	2.773	40	5		IFBBRN
CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220409802	557143806	/nfs/dbraw/zinc/14/38/06/557143806.db2.gz	PNJSTZRRTONBFJ-CQSZACIVSA-N	0	0	448.501	2.526	40	5		IFBBRN
CC(C)Oc1cccc(CNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000220415246	557149717	/nfs/dbraw/zinc/14/97/17/557149717.db2.gz	DLEIKUMJJAZCOT-OAHLLOKOSA-N	0	0	435.502	2.853	40	5		IFBBRN
CC(C)Oc1cccc(CNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000220415301	557149732	/nfs/dbraw/zinc/14/97/32/557149732.db2.gz	DLEIKUMJJAZCOT-HNNXBMFYSA-N	0	0	435.502	2.853	40	5		IFBBRN
O=C1[C@@H]2[C@H](c3ccc(F)cc3)N3CCCN3[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000100835132	557189867	/nfs/dbraw/zinc/18/98/67/557189867.db2.gz	TTXAYVNAUGHDQE-SQNIBIBYSA-N	0	0	430.823	2.923	40	5		IFBBRN
CC1=C([C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)N[C@@H]2C)S(=O)(=O)CC1[N+](=O)[O-]	ZINC000100929225	557201723	/nfs/dbraw/zinc/20/17/23/557201723.db2.gz	URKMBVGYVBCIRQ-HUYLIWGRSA-N	0	0	441.509	2.674	40	5		IFBBRN
Cc1c(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000220028614	557277873	/nfs/dbraw/zinc/27/78/73/557277873.db2.gz	KKKKCWOAYBLDPK-UHFFFAOYSA-N	0	0	429.564	2.851	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1	ZINC000014022872	557282728	/nfs/dbraw/zinc/28/27/28/557282728.db2.gz	VKAGZZJRPDSMBB-HNNXBMFYSA-N	0	0	433.486	2.951	40	5		IFBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000014269624	557332173	/nfs/dbraw/zinc/33/21/73/557332173.db2.gz	NHGALNIQKQUYEO-UHFFFAOYSA-N	0	0	445.457	2.775	40	5		IFBBRN
Cc1ccc(C(=O)N2[C@@H](C(=O)[O-])COC23CC[NH+](Cc2ccccc2)CC3)cc1[N+](=O)[O-]	ZINC000071980637	557333681	/nfs/dbraw/zinc/33/36/81/557333681.db2.gz	YCPAQARGPCXWQT-HXUWFJFHSA-N	0	0	439.468	2.821	40	5		IFBBRN
CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@@H]2[C@@]2(C)C[C@@H]3CC(C)(C)C2)C1=O	ZINC000102792246	557388348	/nfs/dbraw/zinc/38/83/48/557388348.db2.gz	WOFRBXRXDAHTHO-LGAWVEOZSA-N	0	0	426.473	2.619	40	5		IFBBRN
COc1cc(NC(=O)CN2C(=O)C(=O)c3cc(Br)ccc32)ccc1[N+](=O)[O-]	ZINC000408551231	557416832	/nfs/dbraw/zinc/41/68/32/557416832.db2.gz	GUMDHBGNLUBGAA-UHFFFAOYSA-N	0	0	434.202	2.534	40	5		IFBBRN
COc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)cc1	ZINC000408563299	557418662	/nfs/dbraw/zinc/41/86/62/557418662.db2.gz	KZAISGKXLDHXEZ-SFHVURJKSA-N	0	0	439.346	2.870	40	5		IFBBRN
COc1cccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)c1	ZINC000408564158	557419238	/nfs/dbraw/zinc/41/92/38/557419238.db2.gz	VGJCEFGWLXLULC-SFHVURJKSA-N	0	0	439.346	2.870	40	5		IFBBRN
CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1	ZINC000408573862	557419642	/nfs/dbraw/zinc/41/96/42/557419642.db2.gz	PDMNZJBMUPGXLA-UHFFFAOYSA-N	0	0	428.401	2.642	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1	ZINC000408647075	557425053	/nfs/dbraw/zinc/42/50/53/557425053.db2.gz	SIPIFWSRMNIVDQ-UHFFFAOYSA-N	0	0	441.318	2.900	40	5		IFBBRN
COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000408660618	557426109	/nfs/dbraw/zinc/42/61/09/557426109.db2.gz	BGGSVLDDRYPGED-UHFFFAOYSA-N	0	0	443.412	2.672	40	5		IFBBRN
CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000408666159	557426814	/nfs/dbraw/zinc/42/68/14/557426814.db2.gz	GGVLEMAGFJNBMM-AWEZNQCLSA-N	0	0	427.413	2.528	40	5		IFBBRN
CC(=O)Nc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000408661216	557427086	/nfs/dbraw/zinc/42/70/86/557427086.db2.gz	DYDPXNURLJXSON-UHFFFAOYSA-N	0	0	442.428	2.844	40	5		IFBBRN
Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000014269620	557428905	/nfs/dbraw/zinc/42/89/05/557428905.db2.gz	QSJMENGNNYFLDD-UHFFFAOYSA-N	0	0	445.457	2.775	40	5		IFBBRN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3N=CC=C[C@H]23)C1O	ZINC000104123000	557450657	/nfs/dbraw/zinc/45/06/57/557450657.db2.gz	DIKMEPIJUPGTNE-WCIQWLHISA-N	0	0	430.420	2.500	40	5		IFBBRN
CCOCCCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NCc1cccnc1	ZINC000019531028	557500294	/nfs/dbraw/zinc/50/02/94/557500294.db2.gz	PPJQOZMFUGUBNS-UHFFFAOYSA-N	0	0	446.511	2.715	40	5		IFBBRN
O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)N1CCOCC1	ZINC000106693037	557531430	/nfs/dbraw/zinc/53/14/30/557531430.db2.gz	DPTCDYBEGQOPDW-BOPFTXTBSA-N	0	0	443.437	2.750	40	5		IFBBRN
CCOC(=O)c1cccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000222366314	568638272	/nfs/dbraw/zinc/63/82/72/568638272.db2.gz	UBLZTPYJZGJBQW-UHFFFAOYSA-N	0	0	449.485	2.956	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000222375125	568640443	/nfs/dbraw/zinc/64/04/43/568640443.db2.gz	ZJXZGTCWXBBKAR-UHFFFAOYSA-N	0	0	449.485	2.859	40	5		IFBBRN
CC[C@@H](C(=O)Nc1cc(OC)ccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222516152	568649770	/nfs/dbraw/zinc/64/97/70/568649770.db2.gz	SGIAGUNUQDVUOP-KRWDZBQOSA-N	0	0	437.474	2.795	40	5		IFBBRN
CC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222516310	568649775	/nfs/dbraw/zinc/64/97/75/568649775.db2.gz	XWJLZHXKKQCIHR-INIZCTEOSA-N	0	0	437.474	2.795	40	5		IFBBRN
CC[C@H](C(=O)Nc1ccc(OC)cc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222515891	568649809	/nfs/dbraw/zinc/64/98/09/568649809.db2.gz	CWAMKLLTAIPINW-QGZVFWFLSA-N	0	0	437.474	2.795	40	5		IFBBRN
CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000222515461	568649858	/nfs/dbraw/zinc/64/98/58/568649858.db2.gz	QTIGRIXGRBYJNB-SFHVURJKSA-N	0	0	449.485	2.955	40	5		IFBBRN
CCOc1ccccc1CNC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222528479	568650530	/nfs/dbraw/zinc/65/05/30/568650530.db2.gz	UDUFZVYKFZLDKK-GOSISDBHSA-N	0	0	435.502	2.855	40	5		IFBBRN
CCOc1ccc(CNC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000222527913	568650541	/nfs/dbraw/zinc/65/05/41/568650541.db2.gz	PSAFUVNNDUDITN-LJQANCHMSA-N	0	0	435.502	2.855	40	5		IFBBRN
CC[C@H](C(=O)Nc1ccccc1C(=O)OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222533397	568651431	/nfs/dbraw/zinc/65/14/31/568651431.db2.gz	XBADBWZGYUKVSW-QGZVFWFLSA-N	0	0	449.485	2.873	40	5		IFBBRN
CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222545491	568652390	/nfs/dbraw/zinc/65/23/90/568652390.db2.gz	ZPMIDDSWJDWFAO-INIZCTEOSA-N	0	0	437.474	2.795	40	5		IFBBRN
CC[C@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222547570	568652735	/nfs/dbraw/zinc/65/27/35/568652735.db2.gz	WZJMBHJRUPPADM-QGZVFWFLSA-N	0	0	449.485	2.989	40	5		IFBBRN
CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000222827503	568663450	/nfs/dbraw/zinc/66/34/50/568663450.db2.gz	OOXSHMIPFGMSPT-OAHLLOKOSA-N	0	0	431.514	3.000	40	5		IFBBRN
CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223453584	568835685	/nfs/dbraw/zinc/83/56/85/568835685.db2.gz	HYCLMUHKPDLONL-SFHVURJKSA-N	0	0	445.472	2.544	40	5		IFBBRN
CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223497133	568849919	/nfs/dbraw/zinc/84/99/19/568849919.db2.gz	JRUFSNBXCCYVJG-GOSISDBHSA-N	0	0	429.473	2.578	40	5		IFBBRN
O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)Nc1cccc([N+](=O)[O-])c1	ZINC000003373320	568859620	/nfs/dbraw/zinc/85/96/20/568859620.db2.gz	MCPLVJSLESAMNT-UHFFFAOYSA-N	0	0	449.375	2.780	40	5		IFBBRN
COc1cc([C@H]2[C@H]3SC(=N)NC3=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O	ZINC000016196031	568872463	/nfs/dbraw/zinc/87/24/63/568872463.db2.gz	AJGNHEZSJSKDCB-LSDHHAIUSA-N	0	0	430.402	2.522	40	5		IFBBRN
Cc1c(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cccc1[N+](=O)[O-]	ZINC000016250125	568874980	/nfs/dbraw/zinc/87/49/80/568874980.db2.gz	GVMJJGRKTMDMSD-UHFFFAOYSA-N	0	0	429.458	2.648	40	5		IFBBRN
Cc1c(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000223799922	568877180	/nfs/dbraw/zinc/87/71/80/568877180.db2.gz	GLANXERDFBDQQG-UHFFFAOYSA-N	0	0	449.529	2.988	40	5		IFBBRN
CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000224002284	568880355	/nfs/dbraw/zinc/88/03/55/568880355.db2.gz	ASMMVXKPSDMTER-HNNXBMFYSA-N	0	0	445.472	2.544	40	5		IFBBRN
CC[C@H](C(=O)NCCOc1cc(C)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000224037170	568886057	/nfs/dbraw/zinc/88/60/57/568886057.db2.gz	OXQQQFCJVALZLW-LJQANCHMSA-N	0	0	449.529	2.951	40	5		IFBBRN
Cc1c(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-]	ZINC000224353337	568923243	/nfs/dbraw/zinc/92/32/43/568923243.db2.gz	MVXSKKFFQUKKNN-UHFFFAOYSA-N	0	0	447.513	2.887	40	5		IFBBRN
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000224353045	568923358	/nfs/dbraw/zinc/92/33/58/568923358.db2.gz	PABKGOSHRHGXMO-UHFFFAOYSA-N	0	0	433.486	2.578	40	5		IFBBRN
CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1	ZINC000138549951	568996400	/nfs/dbraw/zinc/99/64/00/568996400.db2.gz	OAPWBEVNPXSYPL-AWEZNQCLSA-N	0	0	427.413	2.528	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1	ZINC000138695120	569105824	/nfs/dbraw/zinc/10/58/24/569105824.db2.gz	LGSSOEWGQSXGOW-GFCCVEGCSA-N	0	0	447.831	2.792	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(NC(=O)C(F)(F)F)c2)c1	ZINC000138726286	569109598	/nfs/dbraw/zinc/10/95/98/569109598.db2.gz	CRUFRXHMIKFNBN-UHFFFAOYSA-N	0	0	441.318	2.900	40	5		IFBBRN
CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1	ZINC000138815108	569116020	/nfs/dbraw/zinc/11/60/20/569116020.db2.gz	BUQKXKCUOKSVLE-HNNXBMFYSA-N	0	0	441.440	2.701	40	5		IFBBRN
CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000139111653	569138505	/nfs/dbraw/zinc/13/85/05/569138505.db2.gz	PRLYQHUUWUJINA-UKRRQHHQSA-N	0	0	440.460	2.512	40	5		IFBBRN
CCCCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc([N+](=O)[O-])o3)N2N1	ZINC000588227763	569145546	/nfs/dbraw/zinc/14/55/46/569145546.db2.gz	PWLXADMHKGTTIP-GOSISDBHSA-N	0	0	427.486	2.644	40	5		IFBBRN
CCOc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	ZINC000017096903	569172588	/nfs/dbraw/zinc/17/25/88/569172588.db2.gz	HFBFFDQAXHCENI-UHFFFAOYSA-N	0	0	430.486	2.957	40	5		IFBBRN
CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2Cl)CC1	ZINC000017098199	569173547	/nfs/dbraw/zinc/17/35/47/569173547.db2.gz	JXPBYALVMPEPFZ-UHFFFAOYSA-N	0	0	432.864	2.934	40	5		IFBBRN
CCc1ccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000224820425	569187711	/nfs/dbraw/zinc/18/77/11/569187711.db2.gz	AIIAMQLPPZWFTH-UHFFFAOYSA-N	0	0	449.529	2.899	40	5		IFBBRN
COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1	ZINC000224964816	569204327	/nfs/dbraw/zinc/20/43/27/569204327.db2.gz	UKKAHFXCZVIOQG-UHFFFAOYSA-N	0	0	428.850	2.934	40	5		IFBBRN
COC(=O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225010872	569213366	/nfs/dbraw/zinc/21/33/66/569213366.db2.gz	ILCAESITNOQGER-UHFFFAOYSA-N	0	0	447.238	2.865	40	5		IFBBRN
CC(C)C[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O	ZINC000010860758	569224619	/nfs/dbraw/zinc/22/46/19/569224619.db2.gz	LGZJDVQDJQUWGM-SFHVURJKSA-N	0	0	439.424	2.787	40	5		IFBBRN
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1OC	ZINC000033706100	569245972	/nfs/dbraw/zinc/24/59/72/569245972.db2.gz	YDPLXVXIMGWBKO-AWEZNQCLSA-N	0	0	449.485	2.651	40	5		IFBBRN
CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]4C[C@](C)(CC(C)(C)C4)[C@H]32)C1=O	ZINC000009122750	569293839	/nfs/dbraw/zinc/29/38/39/569293839.db2.gz	WOFRBXRXDAHTHO-FVMLFMEYSA-N	0	0	426.473	2.619	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(C)cc3)N3CCC[C@H]23)C1O	ZINC000009486891	569296718	/nfs/dbraw/zinc/29/67/18/569296718.db2.gz	XRFUZDGZJQPXTQ-OTNPHJDUSA-N	0	0	449.463	2.747	40	5		IFBBRN
CC(=O)Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	ZINC000019638018	569324848	/nfs/dbraw/zinc/32/48/48/569324848.db2.gz	QHFMYZSAARNWHX-UHFFFAOYSA-N	0	0	443.485	2.517	40	5		IFBBRN
Cc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c([N+](=O)[O-])c1	ZINC000019643227	569325025	/nfs/dbraw/zinc/32/50/25/569325025.db2.gz	DXOZANGTEHLSLS-UHFFFAOYSA-N	0	0	445.457	2.775	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(OC(C)C)cc1)S(C)(=O)=O	ZINC000218351722	569457068	/nfs/dbraw/zinc/45/70/68/569457068.db2.gz	IFUJZOMAYRTGFV-UHFFFAOYSA-N	0	0	437.474	2.795	40	5		IFBBRN
COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1cccc([N+](=O)[O-])c1)=C2C	ZINC000219189558	569461926	/nfs/dbraw/zinc/46/19/26/569461926.db2.gz	VWQJCOBFQFXNCN-UHFFFAOYSA-N	0	0	433.442	2.761	40	5		IFBBRN
CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000040390509	569501157	/nfs/dbraw/zinc/50/11/57/569501157.db2.gz	PRLYQHUUWUJINA-HIFRSBDPSA-N	0	0	440.460	2.512	40	5		IFBBRN
COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C1=O)CC2	ZINC000022609423	523032513	/nfs/dbraw/zinc/03/25/13/523032513.db2.gz	ZUIJEPQFBAFKLW-GOSISDBHSA-N	0	0	425.441	2.611	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O	ZINC000022367468	525465195	/nfs/dbraw/zinc/46/51/95/525465195.db2.gz	VWKVZUOVJOYHFV-QGZVFWFLSA-N	0	0	433.486	2.563	40	5		IFBBRN
COc1cccc(NC(=O)NC2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1	ZINC000012644366	526192165	/nfs/dbraw/zinc/19/21/65/526192165.db2.gz	SYKXUNIEZREANR-UHFFFAOYSA-N	0	0	427.461	2.828	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1	ZINC000408652745	556613106	/nfs/dbraw/zinc/61/31/06/556613106.db2.gz	CUVUVEVSXWTOPT-GFCCVEGCSA-N	0	0	447.831	2.792	40	5		IFBBRN
Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-]	ZINC000408656264	556613644	/nfs/dbraw/zinc/61/36/44/556613644.db2.gz	NBBWHHDVYQGVHM-NVXWUHKLSA-N	0	0	425.441	2.995	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1	ZINC000408656084	556613681	/nfs/dbraw/zinc/61/36/81/556613681.db2.gz	IJBPUFUXBQIORA-OAHLLOKOSA-N	0	0	441.440	2.755	40	5		IFBBRN
CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC000408672813	556614485	/nfs/dbraw/zinc/61/44/85/556614485.db2.gz	XEEZDOSHVLFMAU-HNNXBMFYSA-N	0	0	441.440	2.837	40	5		IFBBRN
Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)CCC4=O)c3)CC2=O)cc1[N+](=O)[O-]	ZINC000408671217	556614819	/nfs/dbraw/zinc/61/48/19/556614819.db2.gz	TUTAZZUVPMXDCQ-AWEZNQCLSA-N	0	0	437.408	2.515	40	5		IFBBRN
O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1	ZINC000408681709	556616270	/nfs/dbraw/zinc/61/62/70/556616270.db2.gz	IHGNBOWEGCZXMZ-IRXDYDNUSA-N	0	0	433.420	2.786	40	5		IFBBRN
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)CCC1=O	ZINC000408685174	556616725	/nfs/dbraw/zinc/61/67/25/556616725.db2.gz	OWTYMWSGVLUNJC-UHFFFAOYSA-N	0	0	432.776	2.863	40	5		IFBBRN
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)CCC1=O	ZINC000408686599	556616903	/nfs/dbraw/zinc/61/69/03/556616903.db2.gz	SDHQSIPLFIBRGF-UHFFFAOYSA-N	0	0	432.776	2.863	40	5		IFBBRN
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409095866	556630222	/nfs/dbraw/zinc/63/02/22/556630222.db2.gz	DRBWRQNZTQMTBL-OVCLIPMQSA-N	0	0	440.412	2.539	40	5		IFBBRN
COc1ccccc1-n1ccc2nc3ccn(-c4nc(SC)n[nH]4)c(=O)c3cc2c1=O	ZINC000040398894	556640892	/nfs/dbraw/zinc/64/08/92/556640892.db2.gz	MCZYRQDIFXXGEY-UHFFFAOYSA-N	0	0	432.465	2.538	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(C)cc3)N3CCC[C@H]23)C1O	ZINC000013555997	556697401	/nfs/dbraw/zinc/69/74/01/556697401.db2.gz	XRFUZDGZJQPXTQ-RZXSNQJFSA-N	0	0	449.463	2.747	40	5		IFBBRN
CCOC(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c(C)c1	ZINC000220034399	556810423	/nfs/dbraw/zinc/81/04/23/556810423.db2.gz	UHWUKYLIBQQXIS-UHFFFAOYSA-N	0	0	449.485	2.793	40	5		IFBBRN
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)sc2=N1	ZINC000409031230	556927144	/nfs/dbraw/zinc/92/71/44/556927144.db2.gz	JLHNANWJQIZVHT-LVSKKATPSA-N	0	0	449.488	2.707	40	5		IFBBRN
COc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1OC	ZINC000220235283	557019686	/nfs/dbraw/zinc/01/96/86/557019686.db2.gz	XFWGHMCGHOLRDF-ZDUSSCGKSA-N	0	0	437.474	2.714	40	5		IFBBRN
COc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@H]5C(c6ccc([N+](=O)[O-])cc6)=NO[C@H]45)[C@@H]3C2=O)cc1	ZINC000014945186	557127020	/nfs/dbraw/zinc/12/70/20/557127020.db2.gz	KDZGOUZYBVKMTF-XCHJYWCCSA-N	0	0	433.420	2.778	40	5		IFBBRN
CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000220380778	557133650	/nfs/dbraw/zinc/13/36/50/557133650.db2.gz	YBBZTRAKZQEBJY-CQSZACIVSA-N	0	0	449.485	2.873	40	5		IFBBRN
CCOC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000220381142	557133892	/nfs/dbraw/zinc/13/38/92/557133892.db2.gz	WWOGXJIMZLXHJR-AWEZNQCLSA-N	0	0	449.485	2.873	40	5		IFBBRN
CCOc1cccc(CNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	ZINC000220394761	557135796	/nfs/dbraw/zinc/13/57/96/557135796.db2.gz	DCPMSTAHBIDMJV-HNNXBMFYSA-N	0	0	435.502	2.773	40	5		IFBBRN
C[C@H](C(=O)NCCSCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220404633	557143772	/nfs/dbraw/zinc/14/37/72/557143772.db2.gz	TZFCFWGZDMIDGE-OAHLLOKOSA-N	0	0	437.543	2.799	40	5		IFBBRN
C[C@H](C(=O)NCCSC1CCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220408865	557143812	/nfs/dbraw/zinc/14/38/12/557143812.db2.gz	UBTFLFRESNGPQJ-CQSZACIVSA-N	0	0	429.564	2.931	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(SC)c1)S(C)(=O)=O	ZINC000220066412	557279650	/nfs/dbraw/zinc/27/96/50/557279650.db2.gz	HJZFXEOCIGKBIC-UHFFFAOYSA-N	0	0	425.488	2.730	40	5		IFBBRN
O=C([O-])[C@@H]1COC2(CC[NH+](Cc3ccccc3)CC2)N1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000071980578	557333582	/nfs/dbraw/zinc/33/35/82/557333582.db2.gz	BHCYLYKRQYAGFW-IBGZPJMESA-N	0	0	425.441	2.513	40	5		IFBBRN
O=C(OCc1ccc([N+](=O)[O-])cc1)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000013590217	557356436	/nfs/dbraw/zinc/35/64/36/557356436.db2.gz	RXTANPDKCIWWON-UHFFFAOYSA-N	0	0	449.441	2.647	40	5		IFBBRN
COc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)cc1	ZINC000408563296	557418384	/nfs/dbraw/zinc/41/83/84/557418384.db2.gz	KZAISGKXLDHXEZ-GOSISDBHSA-N	0	0	439.346	2.870	40	5		IFBBRN
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)CCCC2=O)cc1	ZINC000408649875	557425618	/nfs/dbraw/zinc/42/56/18/557425618.db2.gz	LRCRBHKHGZYDHR-AWEZNQCLSA-N	0	0	439.424	2.771	40	5		IFBBRN
COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000408660557	557426095	/nfs/dbraw/zinc/42/60/95/557426095.db2.gz	AQDOSDHZPPJUAC-UHFFFAOYSA-N	0	0	431.401	2.513	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)cc2C)CC1=O	ZINC000408665471	557427913	/nfs/dbraw/zinc/42/79/13/557427913.db2.gz	FKWLMJFYSMUUJL-OAHLLOKOSA-N	0	0	441.440	2.755	40	5		IFBBRN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(F)cc3)N3N=CC=C[C@@H]23)C1O	ZINC000103562156	557438974	/nfs/dbraw/zinc/43/89/74/557438974.db2.gz	DGYSWVQUMJOIOE-NMLBUPMWSA-N	0	0	448.410	2.639	40	5		IFBBRN
CC(=O)c1nn(-c2cccc([N+](=O)[O-])c2)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12	ZINC000103769269	557441516	/nfs/dbraw/zinc/44/15/16/557441516.db2.gz	PNECACSGKDMMOY-AEFFLSMTSA-N	0	0	426.816	2.880	40	5		IFBBRN
CCOc1cccc(CNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000222366716	568638331	/nfs/dbraw/zinc/63/83/31/568638331.db2.gz	SDQHHSDOYRNBRG-UHFFFAOYSA-N	0	0	435.502	2.856	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1ccc(C)cc1)S(C)(=O)=O	ZINC000222370101	568638514	/nfs/dbraw/zinc/63/85/14/568638514.db2.gz	QFTPVSBGXRSHKA-UHFFFAOYSA-N	0	0	435.502	2.774	40	5		IFBBRN
CC[C@H](C(=O)Nc1ccccc1C(=O)OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222515610	568649847	/nfs/dbraw/zinc/64/98/47/568649847.db2.gz	GGRPKPLQMIVKQU-QGZVFWFLSA-N	0	0	435.458	2.565	40	5		IFBBRN
CCOc1ccccc1CNC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222528538	568650502	/nfs/dbraw/zinc/65/05/02/568650502.db2.gz	UDUFZVYKFZLDKK-SFHVURJKSA-N	0	0	435.502	2.855	40	5		IFBBRN
CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222537139	568651732	/nfs/dbraw/zinc/65/17/32/568651732.db2.gz	NQKBEMNQSBLXMW-MRXNPFEDSA-N	0	0	449.485	2.858	40	5		IFBBRN
CC[C@@H](C(=O)NCCN(C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222542107	568652162	/nfs/dbraw/zinc/65/21/62/568652162.db2.gz	KSTVSILCDNAZIK-IBGZPJMESA-N	0	0	448.545	2.700	40	5		IFBBRN
CC[C@@H](C(=O)N1CCc2ccccc2C1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222546134	568652455	/nfs/dbraw/zinc/65/24/55/568652455.db2.gz	YBPLUNXNNIGKFY-SFHVURJKSA-N	0	0	447.513	2.733	40	5		IFBBRN
CC[C@@H](C(=O)N1CCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222548283	568652522	/nfs/dbraw/zinc/65/25/22/568652522.db2.gz	QNZASJGQSAJTCJ-INIZCTEOSA-N	0	0	433.486	2.737	40	5		IFBBRN
COc1cccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1	ZINC000222591829	568654230	/nfs/dbraw/zinc/65/42/30/568654230.db2.gz	OWFLJCDYBAEKPL-UHFFFAOYSA-N	0	0	437.474	2.797	40	5		IFBBRN
COC(=O)c1cn(C(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c2ccccc12	ZINC000222630607	568655722	/nfs/dbraw/zinc/65/57/22/568655722.db2.gz	PKROUIQDPVTSID-UHFFFAOYSA-N	0	0	445.453	2.751	40	5		IFBBRN
COc1ccc(OC)c(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000222685440	568657292	/nfs/dbraw/zinc/65/72/92/568657292.db2.gz	XOWXYJWLDSZWFP-UHFFFAOYSA-N	0	0	437.474	2.797	40	5		IFBBRN
CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223053075	568778326	/nfs/dbraw/zinc/77/83/26/568778326.db2.gz	WYPBVESOSLXLSO-GOSISDBHSA-N	0	0	429.473	2.844	40	5		IFBBRN
CCSc1nnc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1	ZINC000223140946	568780478	/nfs/dbraw/zinc/78/04/78/568780478.db2.gz	JEHPCWMYWHQCAR-UHFFFAOYSA-N	0	0	445.548	2.743	40	5		IFBBRN
CCc1ccc2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1	ZINC000006197718	568876151	/nfs/dbraw/zinc/87/61/51/568876151.db2.gz	XSKNHRKFCKBOMP-UHFFFAOYSA-N	0	0	445.497	2.572	40	5		IFBBRN
CCOC(=O)C(=O)Nc1sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1C(=O)OC	ZINC000006544837	568930920	/nfs/dbraw/zinc/93/09/20/568930920.db2.gz	RJHDBUKBZGYCHB-UHFFFAOYSA-N	0	0	435.414	2.505	40	5		IFBBRN
NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000017095386	569172584	/nfs/dbraw/zinc/17/25/84/569172584.db2.gz	HBBPMPUQKQWTNU-UHFFFAOYSA-N	0	0	427.486	2.811	40	5		IFBBRN
CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)c(C)c1	ZINC000224652143	569178582	/nfs/dbraw/zinc/17/85/82/569178582.db2.gz	OGATXHCAVVQWOV-UHFFFAOYSA-N	0	0	438.458	2.679	40	5		IFBBRN
CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000224662137	569179071	/nfs/dbraw/zinc/17/90/71/569179071.db2.gz	RMWZDEJHFZNSDM-INIZCTEOSA-N	0	0	429.473	2.926	40	5		IFBBRN
COC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224762612	569186027	/nfs/dbraw/zinc/18/60/27/569186027.db2.gz	UHHVFIHVRMFCRU-UHFFFAOYSA-N	0	0	444.849	2.634	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccccc1)S(C)(=O)=O	ZINC000224853714	569190001	/nfs/dbraw/zinc/19/00/01/569190001.db2.gz	YIAPNTFPHUOJBZ-UHFFFAOYSA-N	0	0	435.502	2.645	40	5		IFBBRN
Cc1cccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1	ZINC000224861227	569190285	/nfs/dbraw/zinc/19/02/85/569190285.db2.gz	YGNLUUXABOZROO-UHFFFAOYSA-N	0	0	449.529	2.953	40	5		IFBBRN
CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000224900437	569190535	/nfs/dbraw/zinc/19/05/35/569190535.db2.gz	LJCOILVNSGVVFO-UHFFFAOYSA-N	0	0	435.458	2.620	40	5		IFBBRN
C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000224930394	569192483	/nfs/dbraw/zinc/19/24/83/569192483.db2.gz	LCMZURXWBRABHZ-HNNXBMFYSA-N	0	0	432.502	2.988	40	5		IFBBRN
CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000224949983	569197274	/nfs/dbraw/zinc/19/72/74/569197274.db2.gz	ZQEJLEAASINCFD-UHFFFAOYSA-N	0	0	432.502	2.990	40	5		IFBBRN
CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225077845	569214202	/nfs/dbraw/zinc/21/42/02/569214202.db2.gz	YKKXNUAUWAHYAA-UHFFFAOYSA-N	0	0	438.458	2.679	40	5		IFBBRN
CCSc1nnc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)s1	ZINC000225132857	569218082	/nfs/dbraw/zinc/21/80/82/569218082.db2.gz	OVNNKULYHAOPMR-SNVBAGLBSA-N	0	0	445.548	2.660	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O	ZINC000010371269	569224100	/nfs/dbraw/zinc/22/41/00/569224100.db2.gz	ZVIDZHRLGYHACK-UHFFFAOYSA-N	0	0	437.543	2.719	40	5		IFBBRN
O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(I)c1	ZINC000010646934	569224433	/nfs/dbraw/zinc/22/44/33/569224433.db2.gz	IPHKGGUBCMSFRA-UHFFFAOYSA-N	0	0	426.166	2.995	40	5		IFBBRN
CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1	ZINC000021094937	569241461	/nfs/dbraw/zinc/24/14/61/569241461.db2.gz	ACPLTGDPBUTDTK-HNNXBMFYSA-N	0	0	441.440	2.837	40	5		IFBBRN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1	ZINC000021186938	569241630	/nfs/dbraw/zinc/24/16/30/569241630.db2.gz	OJCWEQMQEWRBCZ-OAHLLOKOSA-N	0	0	433.486	2.951	40	5		IFBBRN
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1	ZINC000008843234	569291212	/nfs/dbraw/zinc/29/12/12/569291212.db2.gz	JYSHPOZBFNJAAJ-FRVJLOGJSA-N	0	0	431.404	2.931	40	5		IFBBRN
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)cc1	ZINC000011132494	569301908	/nfs/dbraw/zinc/30/19/08/569301908.db2.gz	WJTDBRMBWVOQQY-UHFFFAOYSA-N	0	0	449.485	2.651	40	5		IFBBRN
COc1cc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-]	ZINC000225473095	569303488	/nfs/dbraw/zinc/30/34/88/569303488.db2.gz	SKMMZHHVSKKBEI-INIZCTEOSA-N	0	0	429.473	2.924	40	5		IFBBRN
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1ccccn1	ZINC000020239116	569357454	/nfs/dbraw/zinc/35/74/54/569357454.db2.gz	FMAUVZBRVPAHSN-UHFFFAOYSA-N	0	0	426.454	2.502	40	5		IFBBRN
COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1OC	ZINC000020410934	569363776	/nfs/dbraw/zinc/36/37/76/569363776.db2.gz	XYHMGMNNRDFWJC-UHFFFAOYSA-N	0	0	446.485	2.575	40	5		IFBBRN
CCOC(=O)C1=C(N)O[C@@H]2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000254761708	569434363	/nfs/dbraw/zinc/43/43/63/569434363.db2.gz	XJJJMFWPPXFHSX-OAGGEKHMSA-N	0	0	433.417	2.724	40	5		IFBBRN
CS(=O)(=O)N1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc21	ZINC000030945861	569451356	/nfs/dbraw/zinc/45/13/56/569451356.db2.gz	ATHKUILVTAYZPM-INIZCTEOSA-N	0	0	425.850	2.804	40	5		IFBBRN
CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc1[N+](=O)[O-]	ZINC000032115486	569460265	/nfs/dbraw/zinc/46/02/65/569460265.db2.gz	CJEPHKJMSIOAAO-UHFFFAOYSA-N	0	0	430.486	2.957	40	5		IFBBRN
O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc2c(c1)OCO2	ZINC000032126404	569460344	/nfs/dbraw/zinc/46/03/44/569460344.db2.gz	FMPOJQJAKNPVCX-UHFFFAOYSA-N	0	0	448.888	2.814	40	5		IFBBRN
CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cc(F)ccc1OC	ZINC000039986378	569482176	/nfs/dbraw/zinc/48/21/76/569482176.db2.gz	QTXXKABYJPOIIC-UHFFFAOYSA-N	0	0	425.438	2.700	40	5		IFBBRN
Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)cc1	ZINC000040400489	569501582	/nfs/dbraw/zinc/50/15/82/569501582.db2.gz	HVRUGPKJVTYOSP-OAHLLOKOSA-N	0	0	434.412	2.795	40	5		IFBBRN
CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@H]5C(c6ccc([N+](=O)[O-])cc6)=NO[C@H]45)[C@@H]3C2=O)cc1	ZINC000014945219	518345828	/nfs/dbraw/zinc/34/58/28/518345828.db2.gz	CSHCMAAIBIKRNH-AGMHDLFCSA-N	0	0	445.431	2.972	40	5		IFBBRN
COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc([N+](=O)[O-])cc3)n2)cn1	ZINC000035425667	522782500	/nfs/dbraw/zinc/78/25/00/522782500.db2.gz	HUFYNKLLYRCSHI-KRWDZBQOSA-N	0	0	438.444	2.962	40	5	biogenic,in-vitro	IFBBRN
COc1ccc(-c2noc(CNC(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)cc1OC	ZINC000022257467	523291365	/nfs/dbraw/zinc/29/13/65/523291365.db2.gz	JDWAEBXWSWSBRW-UHFFFAOYSA-N	0	0	428.401	2.666	40	5		IFBBRN
Cc1ccc(OC[C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000022375047	525427458	/nfs/dbraw/zinc/42/74/58/525427458.db2.gz	UVRBRCRHRVQOOC-MRXNPFEDSA-N	0	0	435.502	2.561	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)c2ccc(C)c(C)c2)CC1=O	ZINC000408654802	556613489	/nfs/dbraw/zinc/61/34/89/556613489.db2.gz	QVCIFRBAVFYXEM-MRXNPFEDSA-N	0	0	426.425	2.999	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1	ZINC000408656727	556613626	/nfs/dbraw/zinc/61/36/26/556613626.db2.gz	OCZMFDICHAMLCZ-GOEBONIOSA-N	0	0	441.440	2.695	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1	ZINC000408656729	556613662	/nfs/dbraw/zinc/61/36/62/556613662.db2.gz	OCZMFDICHAMLCZ-HOCLYGCPSA-N	0	0	441.440	2.695	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)c1	ZINC000408672835	556614499	/nfs/dbraw/zinc/61/44/99/556614499.db2.gz	XKAUTTSVWNWBLE-OAHLLOKOSA-N	0	0	441.440	2.755	40	5		IFBBRN
CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1	ZINC000408672754	556614905	/nfs/dbraw/zinc/61/49/05/556614905.db2.gz	ZWKZNCBIMVXLSX-AWEZNQCLSA-N	0	0	427.413	2.528	40	5		IFBBRN
O=C(COC(=O)CCCCCN1C(=O)c2ccccc2C1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000408672019	556615108	/nfs/dbraw/zinc/61/51/08/556615108.db2.gz	YQBKAXWNWMRYSD-UHFFFAOYSA-N	0	0	439.424	2.933	40	5		IFBBRN
O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1	ZINC000408689169	556616071	/nfs/dbraw/zinc/61/60/71/556616071.db2.gz	XTALIOLPMUHKNO-OALUTQOASA-N	0	0	433.420	2.786	40	5		IFBBRN
O=C(COC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000408737872	556619149	/nfs/dbraw/zinc/61/91/49/556619149.db2.gz	PJGBUNZZTJBADX-QGZVFWFLSA-N	0	0	426.381	2.649	40	5		IFBBRN
C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C	ZINC000409148612	556631572	/nfs/dbraw/zinc/63/15/72/556631572.db2.gz	ZTNNKVYRJAIUCE-CYBMUJFWSA-N	0	0	440.485	2.945	40	5		IFBBRN
Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000409347749	556637537	/nfs/dbraw/zinc/63/75/37/556637537.db2.gz	MQNLJDMZEPJSFR-UHFFFAOYSA-N	0	0	444.448	2.523	40	5		IFBBRN
COCc1n[nH]c(-n2ccc3nc4ccn(-c5cc(C)ccc5C)c(=O)c4cc3c2=O)n1	ZINC000040398975	556641104	/nfs/dbraw/zinc/64/11/04/556641104.db2.gz	BNKRKNJYSHBYFN-UHFFFAOYSA-N	0	0	428.452	2.571	40	5		IFBBRN
COCc1n[nH]c(-n2ccc3nc4ccn(-c5ccc(Cl)cc5)c(=O)c4cc3c2=O)n1	ZINC000040398970	556641130	/nfs/dbraw/zinc/64/11/30/556641130.db2.gz	ODGBOYVYTOBRSS-UHFFFAOYSA-N	0	0	434.843	2.608	40	5		IFBBRN
COc1ccc(CCn2ccc3nc4ccn(-c5cc[nH]n5)c(=O)c4cc3c2=O)cc1OC	ZINC000040399073	556641567	/nfs/dbraw/zinc/64/15/67/556641567.db2.gz	XJAHCZPSNXWORT-UHFFFAOYSA-N	0	0	443.463	2.684	40	5		IFBBRN
CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1	ZINC000220034274	556810155	/nfs/dbraw/zinc/81/01/55/556810155.db2.gz	IHKCJZZWUFJPML-UHFFFAOYSA-N	0	0	449.485	2.793	40	5		IFBBRN
COCc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCC[C@@H](C)[C@H]5C)c(=O)c4cc3c2=O)n1	ZINC000040398998	556820484	/nfs/dbraw/zinc/82/04/84/556820484.db2.gz	ZEBJOQIMHOXXFJ-PJIJBLCYSA-N	0	0	434.500	2.962	40	5		IFBBRN
COc1cc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O2)cc(OC)c1OC	ZINC000408837992	556868138	/nfs/dbraw/zinc/86/81/38/556868138.db2.gz	BEHNKUVJPNXBMO-AWNIVKPZSA-N	0	0	429.341	2.873	40	5		IFBBRN
COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000220395334	557135963	/nfs/dbraw/zinc/13/59/63/557135963.db2.gz	ZVBWOIGINXKBLC-HUUCEWRRSA-N	0	0	435.502	2.944	40	5		IFBBRN
CC(C)Oc1ccc(CNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000220419917	557150221	/nfs/dbraw/zinc/15/02/21/557150221.db2.gz	ZPNHEWOTRSSDNV-OAHLLOKOSA-N	0	0	435.502	2.853	40	5		IFBBRN
Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000220423186	557154455	/nfs/dbraw/zinc/15/44/55/557154455.db2.gz	JACRUYJUNZARDM-CVEARBPZSA-N	0	0	435.502	2.641	40	5		IFBBRN
COc1cccc(-c2noc(CN(C)C(=O)COc3ccc([N+](=O)[O-])c(OC)c3)n2)c1	ZINC000219829729	557269217	/nfs/dbraw/zinc/26/92/17/557269217.db2.gz	OZCAETQVINASFQ-UHFFFAOYSA-N	0	0	428.401	2.699	40	5		IFBBRN
Cc1c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000220032066	557277817	/nfs/dbraw/zinc/27/78/17/557277817.db2.gz	CBGREYLJBBILCH-UHFFFAOYSA-N	0	0	442.837	2.870	40	5		IFBBRN
COc1ccc(NC(=O)CN2C(=O)C(=O)c3cc(Br)ccc32)c([N+](=O)[O-])c1	ZINC000014137313	557309609	/nfs/dbraw/zinc/30/96/09/557309609.db2.gz	UITMHKQHUOONEF-UHFFFAOYSA-N	0	0	434.202	2.534	40	5		IFBBRN
CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@@H]2[C@@]2(C)C[C@@H]3CC(C)(C)C2)C1=O	ZINC000102792245	557388433	/nfs/dbraw/zinc/38/84/33/557388433.db2.gz	WOFRBXRXDAHTHO-HWQRQEAJSA-N	0	0	426.473	2.619	40	5		IFBBRN
COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1Br	ZINC000408567799	557418060	/nfs/dbraw/zinc/41/80/60/557418060.db2.gz	RJAJBISPEUTTND-OEPMTFCVSA-N	0	0	432.274	2.980	40	5		IFBBRN
CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc(C)cc3)CC2)c([N+](=O)[O-])c1	ZINC000408572130	557419961	/nfs/dbraw/zinc/41/99/61/557419961.db2.gz	GVNUCOLZKYZICU-UHFFFAOYSA-N	0	0	427.457	2.808	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O	ZINC000408617907	557422223	/nfs/dbraw/zinc/42/22/23/557422223.db2.gz	HRNHAOIZPJTGOT-HNNXBMFYSA-N	0	0	435.502	2.507	40	5		IFBBRN
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)C(=O)[O-])n[nH]1	ZINC000408632605	557422676	/nfs/dbraw/zinc/42/26/76/557422676.db2.gz	RVKIGLWBPWWTBY-FOWTUZBSSA-N	0	0	432.506	2.635	40	5		IFBBRN
COCc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCC[C@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1	ZINC000223067279	557425089	/nfs/dbraw/zinc/42/50/89/557425089.db2.gz	ZEBJOQIMHOXXFJ-CKFHNAJUSA-N	0	0	434.500	2.962	40	5		IFBBRN
Cc1ccc(N2C[C@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)cc1[N+](=O)[O-]	ZINC000408665553	557426297	/nfs/dbraw/zinc/42/62/97/557426297.db2.gz	FVRFIDNTKNMNGV-NVXWUHKLSA-N	0	0	425.441	2.677	40	5		IFBBRN
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)CCC1=O	ZINC000408664077	557427100	/nfs/dbraw/zinc/42/71/00/557427100.db2.gz	NOOIIIVBKAIDSI-CQSZACIVSA-N	0	0	437.408	2.515	40	5		IFBBRN
CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000408665733	557427695	/nfs/dbraw/zinc/42/76/95/557427695.db2.gz	WSDWLQMEXLFGGD-UHFFFAOYSA-N	0	0	443.412	2.672	40	5		IFBBRN
O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000014271404	557430741	/nfs/dbraw/zinc/43/07/41/557430741.db2.gz	MDHIKJCIKAZZBN-UHFFFAOYSA-N	0	0	444.557	2.860	40	5		IFBBRN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(F)cc3)N3N=CC=C[C@H]23)C1O	ZINC000103562162	557438933	/nfs/dbraw/zinc/43/89/33/557438933.db2.gz	DGYSWVQUMJOIOE-WCIQWLHISA-N	0	0	448.410	2.639	40	5		IFBBRN
CC1=C([C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)N[C@@H]2C)S(=O)(=O)CC1[N+](=O)[O-]	ZINC000221835672	557500088	/nfs/dbraw/zinc/50/00/88/557500088.db2.gz	URKMBVGYVBCIRQ-XWPNQZOQSA-N	0	0	441.509	2.674	40	5		IFBBRN
NC(=O)OC[C@@H](COc1ccc(Cl)cc1)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000008653212	562960145	/nfs/dbraw/zinc/96/01/45/562960145.db2.gz	PRZKFAPINLZRBT-OAHLLOKOSA-N	0	0	439.764	2.856	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N1CCc2ccccc21)S(C)(=O)=O	ZINC000222371109	568640125	/nfs/dbraw/zinc/64/01/25/568640125.db2.gz	VDAVRGAOWJMKTD-UHFFFAOYSA-N	0	0	433.486	2.739	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCSC(C)(C)C)S(C)(=O)=O	ZINC000222370411	568640253	/nfs/dbraw/zinc/64/02/53/568640253.db2.gz	NHGBFKGNQGUJDR-UHFFFAOYSA-N	0	0	447.579	2.798	40	5		IFBBRN
CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222516740	568650054	/nfs/dbraw/zinc/65/00/54/568650054.db2.gz	NQDVJGQLUZRWGL-KRWDZBQOSA-N	0	0	435.458	2.565	40	5		IFBBRN
CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222537290	568651629	/nfs/dbraw/zinc/65/16/29/568651629.db2.gz	GIWMYFLOOJYQSH-MRXNPFEDSA-N	0	0	436.446	2.995	40	5		IFBBRN
CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222540202	568651941	/nfs/dbraw/zinc/65/19/41/568651941.db2.gz	RKAPRZDKUWVOIO-KRWDZBQOSA-N	0	0	449.485	2.873	40	5		IFBBRN
COc1ccc(CN(C)C(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000222683214	568657290	/nfs/dbraw/zinc/65/72/90/568657290.db2.gz	LWPOFIXEDDITKW-UHFFFAOYSA-N	0	0	435.502	2.808	40	5		IFBBRN
O=C(c1ccccc1)[C@H]([C@H](c1cccc([N+](=O)[O-])c1)N1CCOCC1)N1CCOCC1	ZINC000031613439	568740895	/nfs/dbraw/zinc/74/08/95/568740895.db2.gz	UCZZLGBQZYHCMY-VXKWHMMOSA-N	0	0	425.485	2.552	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1nnc(SC(C)C)s1)S(C)(=O)=O	ZINC000223561830	568871714	/nfs/dbraw/zinc/87/17/14/568871714.db2.gz	GXCSQQBJEAFABP-UHFFFAOYSA-N	0	0	445.548	2.660	40	5		IFBBRN
CC[C@@H](C(=O)NCCOc1cc(C)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000224037115	568886056	/nfs/dbraw/zinc/88/60/56/568886056.db2.gz	OXQQQFCJVALZLW-IBGZPJMESA-N	0	0	449.529	2.951	40	5		IFBBRN
Cc1ccc(C)c(OCCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000224034700	568886063	/nfs/dbraw/zinc/88/60/63/568886063.db2.gz	JQJQSRYWDQPYLC-MRXNPFEDSA-N	0	0	435.502	2.561	40	5		IFBBRN
C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000060237301	568892750	/nfs/dbraw/zinc/89/27/50/568892750.db2.gz	KFRUDZOHZFJLLZ-BEFAXECRSA-N	0	0	440.456	2.839	40	5		IFBBRN
Cc1cc(C)cc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000224104643	568905355	/nfs/dbraw/zinc/90/53/55/568905355.db2.gz	OEOAWNKREBEGJM-UHFFFAOYSA-N	0	0	449.529	2.953	40	5		IFBBRN
Cc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl	ZINC000224134625	568906601	/nfs/dbraw/zinc/90/66/01/568906601.db2.gz	MWXJVPLKHJDDQY-UHFFFAOYSA-N	0	0	441.893	2.518	40	5		IFBBRN
Cc1c(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000224158540	568907753	/nfs/dbraw/zinc/90/77/53/568907753.db2.gz	SIZZRLKVRRYYJE-UHFFFAOYSA-N	0	0	447.498	2.826	40	5		IFBBRN
CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000016692719	568938144	/nfs/dbraw/zinc/93/81/44/568938144.db2.gz	AQNFGWQRNXAELT-UHFFFAOYSA-N	0	0	427.866	2.906	40	5		IFBBRN
CCCCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc([N+](=O)[O-])o3)N2N1	ZINC000588227764	569145535	/nfs/dbraw/zinc/14/55/35/569145535.db2.gz	PWLXADMHKGTTIP-SFHVURJKSA-N	0	0	427.486	2.644	40	5		IFBBRN
O=C1N=C(SCc2ccccc2)NN2C1=c1ccccc1=N[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000588226951	569145594	/nfs/dbraw/zinc/14/55/94/569145594.db2.gz	XQGWHFYQQHALGM-OAQYLSRUSA-N	0	0	443.488	2.671	40	5		IFBBRN
Cc1cc(C)c(O)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000017096889	569173063	/nfs/dbraw/zinc/17/30/63/569173063.db2.gz	CVDLSEOLWYNUPD-UHFFFAOYSA-N	0	0	430.486	2.881	40	5		IFBBRN
CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224772401	569186248	/nfs/dbraw/zinc/18/62/48/569186248.db2.gz	RERHAYJEEZDYDM-UHFFFAOYSA-N	0	0	438.458	2.679	40	5		IFBBRN
COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224780043	569186338	/nfs/dbraw/zinc/18/63/38/569186338.db2.gz	MNHUNUYOPXNXDO-UHFFFAOYSA-N	0	0	428.850	2.934	40	5		IFBBRN
CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224784799	569186882	/nfs/dbraw/zinc/18/68/82/569186882.db2.gz	NPBKIGDRHOMYDK-UHFFFAOYSA-N	0	0	437.430	2.878	40	5		IFBBRN
Cc1ccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1	ZINC000224820497	569188818	/nfs/dbraw/zinc/18/88/18/569188818.db2.gz	ZYGAKAKPAGNZCQ-UHFFFAOYSA-N	0	0	449.529	2.953	40	5		IFBBRN
COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(SC)cc1	ZINC000224988789	569208321	/nfs/dbraw/zinc/20/83/21/569208321.db2.gz	ZBNLQFXLRILCEL-UHFFFAOYSA-N	0	0	426.472	2.694	40	5		IFBBRN
CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225076458	569214294	/nfs/dbraw/zinc/21/42/94/569214294.db2.gz	GXKTWCBXGPKIRJ-UHFFFAOYSA-N	0	0	438.458	2.679	40	5		IFBBRN
COC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225040561	569214860	/nfs/dbraw/zinc/21/48/60/569214860.db2.gz	JBGVROIRZYIQHB-UHFFFAOYSA-N	0	0	444.849	2.634	40	5		IFBBRN
CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225087900	569215607	/nfs/dbraw/zinc/21/56/07/569215607.db2.gz	GTBXRGIMYYZBRS-UHFFFAOYSA-N	0	0	437.430	2.878	40	5		IFBBRN
CC(C)Sc1nnc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1	ZINC000225098927	569215907	/nfs/dbraw/zinc/21/59/07/569215907.db2.gz	WTKZILGTWWBPCK-SNVBAGLBSA-N	0	0	445.548	2.740	40	5		IFBBRN
COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c([N+](=O)[O-])c1	ZINC000009425364	569220127	/nfs/dbraw/zinc/22/01/27/569220127.db2.gz	UUSNBSMRAJIOCF-UHFFFAOYSA-N	0	0	434.865	2.960	40	5		IFBBRN
COc1cc([C@@H]2N[C@@H](c3ccc(O)c(OC)c3)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])ccc1O	ZINC000002285742	569262971	/nfs/dbraw/zinc/26/29/71/569262971.db2.gz	LWFVMHYOVYRDHE-LWYYNNOASA-N	0	0	447.444	2.817	40	5		IFBBRN
CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	ZINC000009064686	569293391	/nfs/dbraw/zinc/29/33/91/569293391.db2.gz	OPXHKPPRSVGSBM-UHFFFAOYSA-N	0	0	443.485	2.517	40	5		IFBBRN
Cc1c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-]	ZINC000009064699	569293440	/nfs/dbraw/zinc/29/34/40/569293440.db2.gz	LVAVASSOIIDAKZ-UHFFFAOYSA-N	0	0	445.457	2.775	40	5		IFBBRN
CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000113888856	569297076	/nfs/dbraw/zinc/29/70/76/569297076.db2.gz	KIOYABCDMGVYGJ-UHFFFAOYSA-N	0	0	443.821	2.915	40	5		IFBBRN
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1	ZINC000009974338	569298814	/nfs/dbraw/zinc/29/88/14/569298814.db2.gz	DXYFGCUVJFPJPB-HNNXBMFYSA-N	0	0	433.486	2.951	40	5		IFBBRN
O=[N+]([O-])c1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCO)n2)c1	ZINC000329007196	569321851	/nfs/dbraw/zinc/32/18/51/569321851.db2.gz	LIOUZTWMUAYOJF-UHFFFAOYSA-N	0	0	449.389	2.811	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(C)cc3)N3CCC[C@H]23)C1O	ZINC000217579507	569449134	/nfs/dbraw/zinc/44/91/34/569449134.db2.gz	XRFUZDGZJQPXTQ-RCOXNQKVSA-N	0	0	449.463	2.747	40	5		IFBBRN
Cc1cccc(CSCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000218305832	569456977	/nfs/dbraw/zinc/45/69/77/569456977.db2.gz	CKHALDZTDFEDES-UHFFFAOYSA-N	0	0	437.543	2.719	40	5		IFBBRN
COc1ccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3o2)cc1[N+](=O)[O-]	ZINC000032126638	569460338	/nfs/dbraw/zinc/46/03/38/569460338.db2.gz	OQZXAUXIOMUZIC-UHFFFAOYSA-N	0	0	429.414	2.830	40	5		IFBBRN
C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000038828494	569469091	/nfs/dbraw/zinc/46/90/91/569469091.db2.gz	VAFJVBLMCARFIL-JMSVASOKSA-N	0	0	440.460	2.510	40	5		IFBBRN
CS(=O)(=O)N1CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccc(Cl)cc21	ZINC000038853981	569469261	/nfs/dbraw/zinc/46/92/61/569469261.db2.gz	HJXJASPYPWQQOH-INIZCTEOSA-N	0	0	425.850	2.804	40	5		IFBBRN
Cc1c(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cccc1[N+](=O)[O-]	ZINC000038860266	569469316	/nfs/dbraw/zinc/46/93/16/569469316.db2.gz	ZILCYCLFSXMFKR-MRXNPFEDSA-N	0	0	425.850	2.722	40	5		IFBBRN
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1[N+](=O)[O-]	ZINC000040399227	569501154	/nfs/dbraw/zinc/50/11/54/569501154.db2.gz	GUCKOSCRJKMBHL-CQSZACIVSA-N	0	0	434.412	2.795	40	5		IFBBRN
Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)cc1	ZINC000040400488	569501555	/nfs/dbraw/zinc/50/15/55/569501555.db2.gz	HVRUGPKJVTYOSP-HNNXBMFYSA-N	0	0	434.412	2.795	40	5		IFBBRN
Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)cc1	ZINC000040400484	569501619	/nfs/dbraw/zinc/50/16/19/569501619.db2.gz	HLMPNDDBVHXHEF-HNNXBMFYSA-N	0	0	434.412	2.795	40	5		IFBBRN
Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)cc1	ZINC000040400480	569501631	/nfs/dbraw/zinc/50/16/31/569501631.db2.gz	RJEAIQSHXUMIAS-ZDUSSCGKSA-N	0	0	434.412	2.795	40	5		IFBBRN
CCOC(=O)C1=C(N)O[C@@H]2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000016682555	520532060	/nfs/dbraw/zinc/53/20/60/520532060.db2.gz	XJJJMFWPPXFHSX-PMPSAXMXSA-N	0	0	433.417	2.724	40	5		IFBBRN
CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000020802065	521278322	/nfs/dbraw/zinc/27/83/22/521278322.db2.gz	ZYBSJQKINYWSSO-RTBURBONSA-N	0	0	438.440	2.706	40	5		IFBBRN
COc1ccccc1N1C(SCc2ccc([N+](=O)[O-])cc2)=N[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000032640676	556412986	/nfs/dbraw/zinc/41/29/86/556412986.db2.gz	OEXDRIWUCQPADP-WBVHZDCISA-N	0	0	433.511	2.878	40	5		IFBBRN
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1	ZINC000408655622	556613659	/nfs/dbraw/zinc/61/36/59/556613659.db2.gz	HWCLVYRYQVNIFE-OALUTQOASA-N	0	0	449.419	2.846	40	5		IFBBRN
CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1	ZINC000408670996	556615510	/nfs/dbraw/zinc/61/55/10/556615510.db2.gz	RIMBKALNTOEUEY-INIZCTEOSA-N	0	0	439.424	2.641	40	5		IFBBRN
COc1c(OC(C)=O)ccc(/C=c2\sc3nc4c(cc(C)cc4C)n3c2=O)c1[N+](=O)[O-]	ZINC000408720665	556617206	/nfs/dbraw/zinc/61/72/06/556617206.db2.gz	BQTZNCSNCKNIEK-SXGWCWSVSA-N	0	0	439.449	2.916	40	5		IFBBRN
CN(Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)S(C)(=O)=O	ZINC000408702502	556618050	/nfs/dbraw/zinc/61/80/50/556618050.db2.gz	HMDIUDMRUKUOGN-UHFFFAOYSA-N	0	0	427.866	2.657	40	5		IFBBRN
Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)c1	ZINC000409061585	556629596	/nfs/dbraw/zinc/62/95/96/556629596.db2.gz	GAZRGJLINZHGKN-UHFFFAOYSA-N	0	0	440.485	2.693	40	5		IFBBRN
C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C	ZINC000409148614	556631699	/nfs/dbraw/zinc/63/16/99/556631699.db2.gz	ZTNNKVYRJAIUCE-ZDUSSCGKSA-N	0	0	440.485	2.945	40	5		IFBBRN
COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000409202886	556634332	/nfs/dbraw/zinc/63/43/32/556634332.db2.gz	TUTBTMQANURXAS-YVLHZVERSA-N	0	0	427.438	2.956	40	5		IFBBRN
O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)Nc1cccc([N+](=O)[O-])c1	ZINC000013572212	556697913	/nfs/dbraw/zinc/69/79/13/556697913.db2.gz	NOTCVXPHGRRRSW-UONOGXRCSA-N	0	0	444.538	2.832	40	5		IFBBRN
Cc1c(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000220032549	556810225	/nfs/dbraw/zinc/81/02/25/556810225.db2.gz	JSRCTZRMSVCODF-UHFFFAOYSA-N	0	0	435.502	2.773	40	5		IFBBRN
CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(OC)cc1	ZINC000220036515	556810482	/nfs/dbraw/zinc/81/04/82/556810482.db2.gz	SIVTUOQKFJXSDB-QGZVFWFLSA-N	0	0	435.502	2.945	40	5		IFBBRN
COc1ccccc1NC(=O)COc1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1	ZINC000409348287	557076218	/nfs/dbraw/zinc/07/62/18/557076218.db2.gz	RZQDWLRNQHLRMF-DHZHZOJOSA-N	0	0	438.396	2.993	40	5		IFBBRN
COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)[O-]	ZINC000002039204	557127609	/nfs/dbraw/zinc/12/76/09/557127609.db2.gz	HFGDOEGDRDVXPX-JOHXPNBHSA-N	0	0	429.425	2.894	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCSCc1ccco1)S(C)(=O)=O	ZINC000220386635	557134266	/nfs/dbraw/zinc/13/42/66/557134266.db2.gz	OGKWVDYCHQXKQZ-AWEZNQCLSA-N	0	0	441.531	2.700	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000220389650	557134509	/nfs/dbraw/zinc/13/45/09/557134509.db2.gz	JCPXRHRLTZDPDC-ZDUSSCGKSA-N	0	0	436.446	2.913	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O	ZINC000220393096	557135469	/nfs/dbraw/zinc/13/54/69/557135469.db2.gz	OCHMDAOJKVVYEB-OAHLLOKOSA-N	0	0	437.493	2.946	40	5		IFBBRN
CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1	ZINC000220418273	557149749	/nfs/dbraw/zinc/14/97/49/557149749.db2.gz	IXRQGWDZEWSVCD-AWEZNQCLSA-N	0	0	449.485	2.873	40	5		IFBBRN
COc1ccccc1CCCNC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220416434	557149807	/nfs/dbraw/zinc/14/98/07/557149807.db2.gz	MTBMSPILNRMPIO-OAHLLOKOSA-N	0	0	435.502	2.507	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O	ZINC000220451731	557155672	/nfs/dbraw/zinc/15/56/72/557155672.db2.gz	NOOIWGYQWCJIRB-JTQLQIEISA-N	0	0	429.401	2.675	40	5		IFBBRN
CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3ccccc3Cl)c(O)c12	ZINC000100942492	557203161	/nfs/dbraw/zinc/20/31/61/557203161.db2.gz	QLVUYWXSVLLTJQ-NVXWUHKLSA-N	0	0	442.815	2.546	40	5		IFBBRN
COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1Cl	ZINC000220027796	557277843	/nfs/dbraw/zinc/27/78/43/557277843.db2.gz	DVRJZOZUMMTWMT-UHFFFAOYSA-N	0	0	427.866	2.970	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1	ZINC000014022864	557282541	/nfs/dbraw/zinc/28/25/41/557282541.db2.gz	RAZIHHUVHJJIKY-OAHLLOKOSA-N	0	0	433.486	2.951	40	5		IFBBRN
O=C([O-])[C@H]1COC2(CC[NH+](Cc3ccccc3)CC2)N1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000071980581	557333546	/nfs/dbraw/zinc/33/35/46/557333546.db2.gz	WGKSXUKKMXHEIF-LJQANCHMSA-N	0	0	425.441	2.513	40	5		IFBBRN
CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3[C@@H]2[C@@]2(C)C[C@@H]3CC(C)(C)C2)C1=O	ZINC000102778737	557381549	/nfs/dbraw/zinc/38/15/49/557381549.db2.gz	DHODMZNNQNKHKU-JIGPKXGUSA-N	0	0	440.500	2.961	40	5		IFBBRN
CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1	ZINC000408574514	557419510	/nfs/dbraw/zinc/41/95/10/557419510.db2.gz	ROQCMEOEUQOORP-UHFFFAOYSA-N	0	0	442.428	2.951	40	5		IFBBRN
O=Cc1ccc(Sc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c([N+](=O)[O-])c1	ZINC000408604519	557421086	/nfs/dbraw/zinc/42/10/86/557421086.db2.gz	JYVJKZKTGIWYOY-UHFFFAOYSA-N	0	0	438.469	2.746	40	5		IFBBRN
COc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1	ZINC000408641851	557424535	/nfs/dbraw/zinc/42/45/35/557424535.db2.gz	DDLJAYCEVWOQMD-ZFWWWQNUSA-N	0	0	442.424	2.780	40	5		IFBBRN
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1cccs1	ZINC000408651205	557425263	/nfs/dbraw/zinc/42/52/63/557425263.db2.gz	NGZATIJSTCFMSF-HZPDHXFCSA-N	0	0	439.449	2.848	40	5		IFBBRN
CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000408661759	557427876	/nfs/dbraw/zinc/42/78/76/557427876.db2.gz	HOHDUWMTWYITAF-UHFFFAOYSA-N	0	0	443.412	2.672	40	5		IFBBRN
CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000408668930	557427883	/nfs/dbraw/zinc/42/78/83/557427883.db2.gz	VWVFWEGIVQTNOU-AWEZNQCLSA-N	0	0	427.413	2.528	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1	ZINC000408652212	557428192	/nfs/dbraw/zinc/42/81/92/557428192.db2.gz	FVFFLVVAZLOMCL-HNNXBMFYSA-N	0	0	441.440	2.755	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1	ZINC000408651927	557428214	/nfs/dbraw/zinc/42/82/14/557428214.db2.gz	BSQFAMMOXVHINT-GFCCVEGCSA-N	0	0	447.831	2.792	40	5		IFBBRN
Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@@H]34)C2O)cc1	ZINC000103538192	557437880	/nfs/dbraw/zinc/43/78/80/557437880.db2.gz	NATSYMZBJWSXHG-HAGHYFMRSA-N	0	0	430.420	2.500	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3N=CC=C[C@H]23)C1O	ZINC000104099107	557449959	/nfs/dbraw/zinc/44/99/59/557449959.db2.gz	ALIPBAZNQJSQLD-MDNKFWRPSA-N	0	0	430.420	2.500	40	5		IFBBRN
O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)N1CCOCC1	ZINC000106710248	557531560	/nfs/dbraw/zinc/53/15/60/557531560.db2.gz	UTHGBGIYVSWDOA-MLPAPPSSSA-N	0	0	446.268	2.797	40	5		IFBBRN
COC(=O)c1cccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C	ZINC000222363711	568638301	/nfs/dbraw/zinc/63/83/01/568638301.db2.gz	HVPSZSHXVWKFGZ-UHFFFAOYSA-N	0	0	449.485	2.875	40	5		IFBBRN
COC(=O)c1cccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	ZINC000222376834	568639638	/nfs/dbraw/zinc/63/96/38/568639638.db2.gz	IGAVIAOLYIHZIJ-UHFFFAOYSA-N	0	0	449.485	2.875	40	5		IFBBRN
CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222515698	568649769	/nfs/dbraw/zinc/64/97/69/568649769.db2.gz	JTXYTYLGHHPJLM-GOSISDBHSA-N	0	0	449.485	2.955	40	5		IFBBRN
CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000222529093	568650489	/nfs/dbraw/zinc/65/04/89/568650489.db2.gz	ILDWLEXEGAMCEQ-ZDUSSCGKSA-N	0	0	435.864	2.799	40	5		IFBBRN
CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222526153	568650516	/nfs/dbraw/zinc/65/05/16/568650516.db2.gz	RREXOMXNQIZXLA-QGZVFWFLSA-N	0	0	435.458	2.565	40	5		IFBBRN
CC[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222530394	568651499	/nfs/dbraw/zinc/65/14/99/568651499.db2.gz	ODEWQHGPTGQXRB-FQEVSTJZSA-N	0	0	448.545	2.782	40	5		IFBBRN
CC[C@@H](C(=O)NC(C(C)C)C(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222546713	568652367	/nfs/dbraw/zinc/65/23/67/568652367.db2.gz	CMLZJSUTQQDPBN-HNNXBMFYSA-N	0	0	429.539	2.945	40	5		IFBBRN
CC[C@@H](C(=O)Nc1cccc(OC)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222545343	568652435	/nfs/dbraw/zinc/65/24/35/568652435.db2.gz	UIDUQHYRNYGMIP-INIZCTEOSA-N	0	0	437.474	2.795	40	5		IFBBRN
COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000222796215	568660459	/nfs/dbraw/zinc/66/04/59/568660459.db2.gz	NYPLKNLCYLRLAH-UHFFFAOYSA-N	0	0	433.486	2.959	40	5		IFBBRN
O=C(CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)Nc1cccc([N+](=O)[O-])c1	ZINC000001336441	568780423	/nfs/dbraw/zinc/78/04/23/568780423.db2.gz	VDBOLQNNJPEMLU-UHFFFAOYSA-N	0	0	425.441	2.899	40	5		IFBBRN
C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000015722029	568811579	/nfs/dbraw/zinc/81/15/79/568811579.db2.gz	KFRUDZOHZFJLLZ-KXBFYZLASA-N	0	0	440.456	2.839	40	5		IFBBRN
CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223410559	568826436	/nfs/dbraw/zinc/82/64/36/568826436.db2.gz	KAMTWKRNPREVMG-SFHVURJKSA-N	0	0	445.472	2.544	40	5		IFBBRN
CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223587266	568875691	/nfs/dbraw/zinc/87/56/91/568875691.db2.gz	UTZMJGUPTGRZPU-INIZCTEOSA-N	0	0	429.473	2.844	40	5		IFBBRN
CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223587196	568875709	/nfs/dbraw/zinc/87/57/09/568875709.db2.gz	UTZMJGUPTGRZPU-MRXNPFEDSA-N	0	0	429.473	2.844	40	5		IFBBRN
CC[C@@H](C(=O)Nc1nnc(SC)s1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000223868832	568877668	/nfs/dbraw/zinc/87/76/68/568877668.db2.gz	LJERTVJMWCNVKX-NSHDSACASA-N	0	0	445.548	2.660	40	5		IFBBRN
CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000224043854	568887612	/nfs/dbraw/zinc/88/76/12/568887612.db2.gz	OKFMYBHRDHFSRS-HNNXBMFYSA-N	0	0	445.472	2.544	40	5		IFBBRN
CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000139109297	569138508	/nfs/dbraw/zinc/13/85/08/569138508.db2.gz	CJOBDRHFBIITQY-UKRRQHHQSA-N	0	0	440.460	2.512	40	5		IFBBRN
CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)N2N1	ZINC000588224959	569145578	/nfs/dbraw/zinc/14/55/78/569145578.db2.gz	BUCYYCHDZGSARR-HXUWFJFHSA-N	0	0	447.476	2.751	40	5		IFBBRN
CO[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1	ZINC000017046066	569171390	/nfs/dbraw/zinc/17/13/90/569171390.db2.gz	NGKKKFKTIZCIEN-KSZLIROESA-N	0	0	446.368	2.647	40	5		IFBBRN
CN(C)c1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	ZINC000017096531	569172484	/nfs/dbraw/zinc/17/24/84/569172484.db2.gz	PBIXCVXTVIPXLT-UHFFFAOYSA-N	0	0	429.502	2.624	40	5		IFBBRN
CCc1ccc(O)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1	ZINC000017096907	569172958	/nfs/dbraw/zinc/17/29/58/569172958.db2.gz	ZRSFHPONHVEOQH-UHFFFAOYSA-N	0	0	430.486	2.826	40	5		IFBBRN
COc1ccc(Br)cc1C(=O)NC(=S)NNc1ccc([N+](=O)[O-])cc1	ZINC000017094267	569172961	/nfs/dbraw/zinc/17/29/61/569172961.db2.gz	ROILSYNXGASCCT-UHFFFAOYSA-N	0	0	425.264	2.997	40	5		IFBBRN
CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000224626553	569175802	/nfs/dbraw/zinc/17/58/02/569175802.db2.gz	VDQRFSICWGGMNP-LJQANCHMSA-N	0	0	443.500	2.968	40	5		IFBBRN
CCOC(=O)CN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224760168	569185201	/nfs/dbraw/zinc/18/52/01/569185201.db2.gz	IYSAWTPCQYNUJY-UHFFFAOYSA-N	0	0	436.442	2.530	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCC1CCCCC1)S(C)(=O)=O	ZINC000224832598	569188966	/nfs/dbraw/zinc/18/89/66/569188966.db2.gz	KHCJMSIIGDCQKO-UHFFFAOYSA-N	0	0	427.523	2.846	40	5		IFBBRN
COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1	ZINC000224965169	569204300	/nfs/dbraw/zinc/20/43/00/569204300.db2.gz	XUIGBMKBUMPXKD-UHFFFAOYSA-N	0	0	428.850	2.934	40	5		IFBBRN
CCOC(=O)CN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225013234	569213451	/nfs/dbraw/zinc/21/34/51/569213451.db2.gz	UUBXIXBTWFQYNP-UHFFFAOYSA-N	0	0	436.442	2.530	40	5		IFBBRN
COC(=O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225036061	569213515	/nfs/dbraw/zinc/21/35/15/569213515.db2.gz	ZQJDGZQGXHTJQY-UHFFFAOYSA-N	0	0	447.238	2.865	40	5		IFBBRN
CCOC(=O)CN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225038426	569213517	/nfs/dbraw/zinc/21/35/17/569213517.db2.gz	OOOKNTRLCPXAFH-UHFFFAOYSA-N	0	0	436.442	2.530	40	5		IFBBRN
CCOC(=O)CN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225022783	569213623	/nfs/dbraw/zinc/21/36/23/569213623.db2.gz	WARYGVKFAJNFTF-UHFFFAOYSA-N	0	0	436.442	2.530	40	5		IFBBRN
Cc1ccc(SCCNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000010332889	569223421	/nfs/dbraw/zinc/22/34/21/569223421.db2.gz	PPPMJDDHAFYUMJ-UHFFFAOYSA-N	0	0	437.543	2.886	40	5		IFBBRN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1OC	ZINC000033706102	569245998	/nfs/dbraw/zinc/24/59/98/569245998.db2.gz	YDPLXVXIMGWBKO-CQSZACIVSA-N	0	0	449.485	2.651	40	5		IFBBRN
C[C@@H]1CCC[C@H](C)N1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000059816848	569249760	/nfs/dbraw/zinc/24/97/60/569249760.db2.gz	LCOBDVHVBIWIHU-TYNCELHUSA-N	0	0	440.460	2.510	40	5		IFBBRN
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)N1CCOCC1	ZINC000214273532	569281180	/nfs/dbraw/zinc/28/11/80/569281180.db2.gz	OGVWSPKYXFKXEI-GZTJUZNOSA-N	0	0	443.437	2.750	40	5		IFBBRN
COc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(OC)c1	ZINC000009064696	569293370	/nfs/dbraw/zinc/29/33/70/569293370.db2.gz	LNPBLROOYMSGAN-UHFFFAOYSA-N	0	0	446.485	2.575	40	5		IFBBRN
CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1F)c1cccc([N+](=O)[O-])c1	ZINC000010281202	569299555	/nfs/dbraw/zinc/29/95/55/569299555.db2.gz	ZIROWZNFAZBZQK-UHFFFAOYSA-N	0	0	441.506	2.550	40	5		IFBBRN
CN(C)c1ncc(-c2ccc([N+](=O)[O-])cc2)c([C@@H]2CCCN(C(=O)Cn3cccn3)C2)n1	ZINC000257242422	569301844	/nfs/dbraw/zinc/30/18/44/569301844.db2.gz	ICKPINDNZRYUCR-QGZVFWFLSA-N	0	0	435.488	2.721	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000019867566	569330602	/nfs/dbraw/zinc/33/06/02/569330602.db2.gz	WDZZZFAKRCHQRL-UHFFFAOYSA-N	0	0	433.486	2.784	40	5		IFBBRN
CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000020410938	569363869	/nfs/dbraw/zinc/36/38/69/569363869.db2.gz	IBBNRYILPXSLDU-UHFFFAOYSA-N	0	0	430.486	2.957	40	5		IFBBRN
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCc1ccccn1	ZINC000020452003	569366195	/nfs/dbraw/zinc/36/61/95/569366195.db2.gz	PSHPWJRSMUMOBC-UHFFFAOYSA-N	0	0	426.454	2.502	40	5		IFBBRN
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000022527877	569403343	/nfs/dbraw/zinc/40/33/43/569403343.db2.gz	OGTYNEJVADUZBG-UHFFFAOYSA-N	0	0	449.420	2.606	40	5		IFBBRN
Cc1c(N(CC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000225528448	569403575	/nfs/dbraw/zinc/40/35/75/569403575.db2.gz	KGPFENFVUCOYBN-UHFFFAOYSA-N	0	0	445.548	2.660	40	5		IFBBRN
COc1cc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-]	ZINC000225696606	569407064	/nfs/dbraw/zinc/40/70/64/569407064.db2.gz	BIZWQQDSYNGQBW-QGZVFWFLSA-N	0	0	443.500	2.967	40	5		IFBBRN
CCOC(=O)c1[nH]c(COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(=O)OCC)c1C	ZINC000003100841	569440239	/nfs/dbraw/zinc/44/02/39/569440239.db2.gz	FRBPFBZSOHGTKR-UHFFFAOYSA-N	0	0	449.372	2.850	40	5		IFBBRN
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000218048251	569456122	/nfs/dbraw/zinc/45/61/22/569456122.db2.gz	VLELGSRPIVXMIK-UHFFFAOYSA-N	0	0	435.527	2.668	40	5		IFBBRN
CC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c2c(O)n(-c3cccc(Cl)c3C)c(O)c12	ZINC000059416456	569461258	/nfs/dbraw/zinc/46/12/58/569461258.db2.gz	OOYCQVXADWPACX-SJLPKXTDSA-N	0	0	426.816	2.880	40	5		IFBBRN
CC(=O)c1nn(-c2cccc([N+](=O)[O-])c2)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12	ZINC000059416446	569461285	/nfs/dbraw/zinc/46/12/85/569461285.db2.gz	PNECACSGKDMMOY-SJLPKXTDSA-N	0	0	426.816	2.880	40	5		IFBBRN
COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000008729479	569471722	/nfs/dbraw/zinc/47/17/22/569471722.db2.gz	OLXKTOQYNKIHMF-UHFFFAOYSA-N	0	0	429.248	2.726	40	5		IFBBRN
CC[C@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(OC)cc1	ZINC000022375294	522382972	/nfs/dbraw/zinc/38/29/72/522382972.db2.gz	GDWDNVXRNUPABJ-SFHVURJKSA-N	0	0	435.502	2.945	40	5		IFBBRN
Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000022375034	525304727	/nfs/dbraw/zinc/30/47/27/525304727.db2.gz	YRZYLTVNLBDRPX-MRXNPFEDSA-N	0	0	435.502	2.561	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=Cc4ccccc4N3[C@@H](C(C)=O)[C@H]2C1=O	ZINC000016035092	556577402	/nfs/dbraw/zinc/57/74/02/556577402.db2.gz	LSBXBYVHMIJRLS-DBOLQNLKSA-N	0	0	433.420	2.582	40	5		IFBBRN
O=C(Oc1cccc(N2C(=O)CCCC2=O)c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000408652538	556613153	/nfs/dbraw/zinc/61/31/53/556613153.db2.gz	DIBQUWZJXIMZEU-AWEZNQCLSA-N	0	0	437.408	2.597	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1	ZINC000408652747	556613194	/nfs/dbraw/zinc/61/31/94/556613194.db2.gz	CUVUVEVSXWTOPT-LBPRGKRZSA-N	0	0	447.831	2.792	40	5		IFBBRN
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1	ZINC000408657984	556613932	/nfs/dbraw/zinc/61/39/32/556613932.db2.gz	KKWVBBNQEWAKME-RTBURBONSA-N	0	0	449.419	2.846	40	5		IFBBRN
CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)sc2=N[C@@H]1c1ccccc1	ZINC000408731298	556618871	/nfs/dbraw/zinc/61/88/71/556618871.db2.gz	LPCJVRMUAOGXMR-MTGKDYNDSA-N	0	0	449.488	2.815	40	5		IFBBRN
COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(C)=O	ZINC000409180022	556633045	/nfs/dbraw/zinc/63/30/45/556633045.db2.gz	UPKZYKHNZLLDPH-UHFFFAOYSA-N	0	0	432.772	2.803	40	5		IFBBRN
CC(C)COC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O	ZINC000409215784	556634572	/nfs/dbraw/zinc/63/45/72/556634572.db2.gz	AUOHEPUSXZOGOM-YVLHZVERSA-N	0	0	449.485	2.667	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc(Cl)ccc1C)S(C)(=O)=O	ZINC000409412398	556639566	/nfs/dbraw/zinc/63/95/66/556639566.db2.gz	WAMLDFIDPZOEJN-UHFFFAOYSA-N	0	0	427.866	2.970	40	5		IFBBRN
CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(CCC(C)C)c(=O)c3cc2c1=O	ZINC000040399089	556641561	/nfs/dbraw/zinc/64/15/61/556641561.db2.gz	MTKKKUJUSVJRMW-UHFFFAOYSA-N	0	0	435.484	2.955	40	5		IFBBRN
COc1cc([C@@H]2[C@@H]3SC(=N)NC3=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O	ZINC000136607996	556822648	/nfs/dbraw/zinc/82/26/48/556822648.db2.gz	AJGNHEZSJSKDCB-CABCVRRESA-N	0	0	430.402	2.522	40	5		IFBBRN
COc1ccc(/C=C2/SC(=N)NC2=O)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000408892382	556881429	/nfs/dbraw/zinc/88/14/29/556881429.db2.gz	AWSQSMBKFIOWIZ-ZROIWOOFSA-N	0	0	435.439	2.510	40	5		IFBBRN
COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O	ZINC000409203861	557002601	/nfs/dbraw/zinc/00/26/01/557002601.db2.gz	ZGJYXTCBEPEWAJ-YBEGLDIGSA-N	0	0	431.426	2.654	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O	ZINC000220337299	557114852	/nfs/dbraw/zinc/11/48/52/557114852.db2.gz	JIOVFGGBRHVJNZ-CYBMUJFWSA-N	0	0	437.474	2.714	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O	ZINC000220337356	557114947	/nfs/dbraw/zinc/11/49/47/557114947.db2.gz	JIOVFGGBRHVJNZ-ZDUSSCGKSA-N	0	0	437.474	2.714	40	5		IFBBRN
COc1ccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1OC	ZINC000220381787	557133928	/nfs/dbraw/zinc/13/39/28/557133928.db2.gz	LHKWQQSBECPJJW-ZDUSSCGKSA-N	0	0	437.474	2.714	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000220389572	557134573	/nfs/dbraw/zinc/13/45/73/557134573.db2.gz	JCPXRHRLTZDPDC-CYBMUJFWSA-N	0	0	436.446	2.913	40	5		IFBBRN
COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000220395505	557135823	/nfs/dbraw/zinc/13/58/23/557135823.db2.gz	ZVBWOIGINXKBLC-GJZGRUSLSA-N	0	0	435.502	2.944	40	5		IFBBRN
CCOc1cccc(CNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	ZINC000220394695	557135935	/nfs/dbraw/zinc/13/59/35/557135935.db2.gz	DCPMSTAHBIDMJV-OAHLLOKOSA-N	0	0	435.502	2.773	40	5		IFBBRN
CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220409874	557143803	/nfs/dbraw/zinc/14/38/03/557143803.db2.gz	PNJSTZRRTONBFJ-AWEZNQCLSA-N	0	0	448.501	2.526	40	5		IFBBRN
C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220422436	557154441	/nfs/dbraw/zinc/15/44/41/557154441.db2.gz	RZKLZJJQRPEKKW-AWEZNQCLSA-N	0	0	446.485	2.515	40	5		IFBBRN
COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2N2CCCN12	ZINC000100946699	557203056	/nfs/dbraw/zinc/20/30/56/557203056.db2.gz	ZUGSKSUVRQAMHQ-QYZOEREBSA-N	0	0	442.859	2.792	40	5		IFBBRN
COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	ZINC000220386475	557294121	/nfs/dbraw/zinc/29/41/21/557294121.db2.gz	BZEDURKJFVVGLG-CQSZACIVSA-N	0	0	449.485	2.791	40	5		IFBBRN
CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O	ZINC000220647198	557361469	/nfs/dbraw/zinc/36/14/69/557361469.db2.gz	ZTHDHSKIQAWPIK-QGZVFWFLSA-N	0	0	437.474	2.795	40	5		IFBBRN
Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-]	ZINC000408551236	557416102	/nfs/dbraw/zinc/41/61/02/557416102.db2.gz	GUWUAFCEAXPVOH-NSHDSACASA-N	0	0	442.291	2.971	40	5		IFBBRN
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl	ZINC000408553786	557416760	/nfs/dbraw/zinc/41/67/60/557416760.db2.gz	QLZYZJCETDBCCL-NSHDSACASA-N	0	0	427.866	2.871	40	5		IFBBRN
Cc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-]	ZINC000408551233	557416811	/nfs/dbraw/zinc/41/68/11/557416811.db2.gz	GUWUAFCEAXPVOH-LLVKDONJSA-N	0	0	442.291	2.971	40	5		IFBBRN
COc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1Br	ZINC000408567802	557417600	/nfs/dbraw/zinc/41/76/00/557417600.db2.gz	RJAJBISPEUTTND-WILYLXEWSA-N	0	0	432.274	2.980	40	5		IFBBRN
CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc(OC)cc3)CC2)c([N+](=O)[O-])c1	ZINC000408574470	557419958	/nfs/dbraw/zinc/41/99/58/557419958.db2.gz	RCHJTBCHDFGLIK-UHFFFAOYSA-N	0	0	443.456	2.508	40	5		IFBBRN
CCOC(=O)c1sc2ncn(CC(=O)OCc3ccccc3[N+](=O)[O-])c(=O)c2c1C	ZINC000408605899	557421374	/nfs/dbraw/zinc/42/13/74/557421374.db2.gz	NIRGHOGXBMDLIW-UHFFFAOYSA-N	0	0	431.426	2.595	40	5		IFBBRN
COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000408611842	557421971	/nfs/dbraw/zinc/42/19/71/557421971.db2.gz	WZIXLKOUECCILB-LLVKDONJSA-N	0	0	427.866	2.871	40	5		IFBBRN
COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O	ZINC000408643533	557424714	/nfs/dbraw/zinc/42/47/14/557424714.db2.gz	AKYXLXVHHHKCIG-LBPRGKRZSA-N	0	0	447.831	2.792	40	5		IFBBRN
COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1	ZINC000408661731	557426290	/nfs/dbraw/zinc/42/62/90/557426290.db2.gz	HHKRWEWPXGTQER-UHFFFAOYSA-N	0	0	431.401	2.513	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2c(C)cccc2C)CC1=O	ZINC000408669911	557426646	/nfs/dbraw/zinc/42/66/46/557426646.db2.gz	PMXANMRMFQUTLE-HNNXBMFYSA-N	0	0	441.440	2.755	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O	ZINC000408670508	557426832	/nfs/dbraw/zinc/42/68/32/557426832.db2.gz	QTTQKRCWIPZCAW-GFCCVEGCSA-N	0	0	447.831	2.792	40	5		IFBBRN
Cc1ccc(N2C[C@H](C(=O)OCC(=O)N[C@@H](C)c3ccccc3)CC2=O)cc1[N+](=O)[O-]	ZINC000408665549	557427337	/nfs/dbraw/zinc/42/73/37/557427337.db2.gz	FVRFIDNTKNMNGV-DOTOQJQBSA-N	0	0	425.441	2.677	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1	ZINC000408670092	557427757	/nfs/dbraw/zinc/42/77/57/557427757.db2.gz	WPQYLRWNNRYPOR-OAHLLOKOSA-N	0	0	441.440	2.755	40	5		IFBBRN
CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O	ZINC000408666845	557427948	/nfs/dbraw/zinc/42/79/48/557427948.db2.gz	SWSUSIRVIKIZOO-AWEZNQCLSA-N	0	0	427.413	2.528	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2OC)c1	ZINC000408667953	557427970	/nfs/dbraw/zinc/42/79/70/557427970.db2.gz	SJMVYMVFZCXGBO-UHFFFAOYSA-N	0	0	445.428	2.903	40	5		IFBBRN
Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@H]34)C2O)cc1	ZINC000103538203	557437928	/nfs/dbraw/zinc/43/79/28/557437928.db2.gz	NATSYMZBJWSXHG-WCIQWLHISA-N	0	0	430.420	2.500	40	5		IFBBRN
CC(=O)c1nn(-c2cccc([N+](=O)[O-])c2)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12	ZINC000103769264	557441507	/nfs/dbraw/zinc/44/15/07/557441507.db2.gz	PNECACSGKDMMOY-WMZOPIPTSA-N	0	0	426.816	2.880	40	5		IFBBRN
O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)N1CCOCC1	ZINC000106693569	557531396	/nfs/dbraw/zinc/53/13/96/557531396.db2.gz	QCGXDTXYEAIMDI-BOPFTXTBSA-N	0	0	443.437	2.750	40	5		IFBBRN
COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1C	ZINC000045221714	557543080	/nfs/dbraw/zinc/54/30/80/557543080.db2.gz	OLFNAISOLPOLIZ-AWEZNQCLSA-N	0	0	443.460	2.929	40	5		IFBBRN
COc1ccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1	ZINC000222369590	568638451	/nfs/dbraw/zinc/63/84/51/568638451.db2.gz	WZLCANLYIYKOJW-UHFFFAOYSA-N	0	0	437.474	2.797	40	5		IFBBRN
CCOC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222515753	568649789	/nfs/dbraw/zinc/64/97/89/568649789.db2.gz	JTXYTYLGHHPJLM-SFHVURJKSA-N	0	0	449.485	2.955	40	5		IFBBRN
CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222523608	568650278	/nfs/dbraw/zinc/65/02/78/568650278.db2.gz	PFJGNAVUMHLLGP-QGZVFWFLSA-N	0	0	436.446	2.995	40	5		IFBBRN
CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222523839	568650305	/nfs/dbraw/zinc/65/03/05/568650305.db2.gz	KVLRMRSMNFTFBN-INIZCTEOSA-N	0	0	436.446	2.995	40	5		IFBBRN
CC[C@H](C(=O)NCc1ccc(OC)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222534838	568651420	/nfs/dbraw/zinc/65/14/20/568651420.db2.gz	VMCXHBOYJGBPOJ-GOSISDBHSA-N	0	0	435.502	2.773	40	5		IFBBRN
CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222535272	568651634	/nfs/dbraw/zinc/65/16/34/568651634.db2.gz	ZBIUPEJQCYRQEX-OAHLLOKOSA-N	0	0	435.458	2.815	40	5		IFBBRN
CC[C@H](C(=O)NCc1cccc(C)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222548513	568652512	/nfs/dbraw/zinc/65/25/12/568652512.db2.gz	CYXQGWJZFNNFKY-QGZVFWFLSA-N	0	0	435.502	2.773	40	5		IFBBRN
COC(=O)c1cn(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c2ccccc12	ZINC000222600621	568654292	/nfs/dbraw/zinc/65/42/92/568654292.db2.gz	NYECWUZMHBSJFN-UHFFFAOYSA-N	0	0	445.453	2.751	40	5		IFBBRN
CCOC(=O)c1ccccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222685144	568657142	/nfs/dbraw/zinc/65/71/42/568657142.db2.gz	FCZPABHPKXGYLG-UHFFFAOYSA-N	0	0	449.485	2.956	40	5		IFBBRN
C[C@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222864103	568735897	/nfs/dbraw/zinc/73/58/97/568735897.db2.gz	QXBMOVYIWNQOFY-GFCCVEGCSA-N	0	0	447.498	2.907	40	5		IFBBRN
Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3cccc([N+](=O)[O-])c3)cn2)cc1	ZINC000223384115	568821152	/nfs/dbraw/zinc/82/11/52/568821152.db2.gz	MEFXZWWIRLGRDU-UHFFFAOYSA-N	0	0	441.469	2.766	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O	ZINC000223434342	568828248	/nfs/dbraw/zinc/82/82/48/568828248.db2.gz	UJYZYYFXHYRXSV-UHFFFAOYSA-N	0	0	427.866	2.657	40	5		IFBBRN
CC(C)COc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NCCCO)cc1	ZINC000006134889	568844877	/nfs/dbraw/zinc/84/48/77/568844877.db2.gz	FOHIUTYCZXHOCN-KGENOOAVSA-N	0	0	441.484	2.899	40	5		IFBBRN
COc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-]	ZINC000016227698	568873881	/nfs/dbraw/zinc/87/38/81/568873881.db2.gz	WILVFOVSJXOOJL-UHFFFAOYSA-N	0	0	430.486	2.562	40	5		IFBBRN
O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1nc(-c2cccc(Br)c2)no1	ZINC000223761212	568877057	/nfs/dbraw/zinc/87/70/57/568877057.db2.gz	BBFNLOJNEDXPQG-UHFFFAOYSA-N	0	0	439.247	2.886	40	5		IFBBRN
Cc1cccc(OCCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C	ZINC000223954615	568879933	/nfs/dbraw/zinc/87/99/33/568879933.db2.gz	YDKXARHYUWUIFB-MRXNPFEDSA-N	0	0	435.502	2.561	40	5		IFBBRN
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000224352966	568923340	/nfs/dbraw/zinc/92/33/40/568923340.db2.gz	DCLLXMZXTZIKIW-UHFFFAOYSA-N	0	0	433.486	2.578	40	5		IFBBRN
CS(=O)(=O)N(CCCC(=O)NCCSC1CCCC1)c1cccc([N+](=O)[O-])c1	ZINC000224524796	568937128	/nfs/dbraw/zinc/93/71/28/568937128.db2.gz	WCEWYDMTJVASSK-UHFFFAOYSA-N	0	0	429.564	2.933	40	5		IFBBRN
CCOc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-]	ZINC000016693005	568938183	/nfs/dbraw/zinc/93/81/83/568938183.db2.gz	LXWYTKLTFIXKRP-UHFFFAOYSA-N	0	0	444.513	2.953	40	5		IFBBRN
CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1	ZINC000138549835	568996468	/nfs/dbraw/zinc/99/64/68/568996468.db2.gz	OAPWBEVNPXSYPL-CQSZACIVSA-N	0	0	427.413	2.528	40	5		IFBBRN
CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224773227	569186336	/nfs/dbraw/zinc/18/63/36/569186336.db2.gz	SDYZUEWDHFLMNX-UHFFFAOYSA-N	0	0	438.458	2.679	40	5		IFBBRN
CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000224811339	569187676	/nfs/dbraw/zinc/18/76/76/569187676.db2.gz	WSMXFITUTKEFIS-UHFFFAOYSA-N	0	0	438.458	2.679	40	5		IFBBRN
Cc1ccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C	ZINC000224820643	569188856	/nfs/dbraw/zinc/18/88/56/569188856.db2.gz	OVFMPGQUVXKVRO-UHFFFAOYSA-N	0	0	449.529	2.953	40	5		IFBBRN
COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1	ZINC000224964145	569204372	/nfs/dbraw/zinc/20/43/72/569204372.db2.gz	ORZOWFAWAILIPQ-UHFFFAOYSA-N	0	0	444.849	2.634	40	5		IFBBRN
COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225020550	569213614	/nfs/dbraw/zinc/21/36/14/569213614.db2.gz	VNIFWZIBLYNQBJ-UHFFFAOYSA-N	0	0	429.248	2.726	40	5		IFBBRN
COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225020857	569213622	/nfs/dbraw/zinc/21/36/22/569213622.db2.gz	RYBBJGQAWFYJSU-UHFFFAOYSA-N	0	0	429.248	2.726	40	5		IFBBRN
COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225024715	569213713	/nfs/dbraw/zinc/21/37/13/569213713.db2.gz	MYSXUJRBLZTOGF-UHFFFAOYSA-N	0	0	429.248	2.726	40	5		IFBBRN
COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225080853	569215541	/nfs/dbraw/zinc/21/55/41/569215541.db2.gz	NYEQMIRLJOSHCP-UHFFFAOYSA-N	0	0	428.850	2.934	40	5		IFBBRN
COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225083313	569215626	/nfs/dbraw/zinc/21/56/26/569215626.db2.gz	VWXUEXPEXMYJGM-UHFFFAOYSA-N	0	0	428.850	2.934	40	5		IFBBRN
CCSc1nnc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)s1	ZINC000225132897	569218116	/nfs/dbraw/zinc/21/81/16/569218116.db2.gz	OVNNKULYHAOPMR-JTQLQIEISA-N	0	0	445.548	2.660	40	5		IFBBRN
CCOc1ccc(-c2n[nH]c(=O)c3c2[C@@H](c2ccccc2[N+](=O)[O-])n2nnnc2N3)cc1	ZINC000010295826	569222206	/nfs/dbraw/zinc/22/22/06/569222206.db2.gz	QHBMPFYPXYEIRO-GOSISDBHSA-N	0	0	432.400	2.837	40	5		IFBBRN
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1	ZINC000019164836	569226175	/nfs/dbraw/zinc/22/61/75/569226175.db2.gz	ARPJCGWIJBYPKQ-UHFFFAOYSA-N	0	0	433.486	2.951	40	5		IFBBRN
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl	ZINC000033718955	569246163	/nfs/dbraw/zinc/24/61/63/569246163.db2.gz	DJEIZBXENMUCKC-NSHDSACASA-N	0	0	427.866	2.871	40	5		IFBBRN
CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccccc2)s1)c1cccc([N+](=O)[O-])c1	ZINC000225238081	569274576	/nfs/dbraw/zinc/27/45/76/569274576.db2.gz	VKDRWVKGPGGZOA-UHFFFAOYSA-N	0	0	433.471	2.518	40	5		IFBBRN
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[nH]c(=O)c32)cc1[N+](=O)[O-]	ZINC000253572495	569284279	/nfs/dbraw/zinc/28/42/79/569284279.db2.gz	QGFBQMYDZCAACH-OCCSQVGLSA-N	0	0	440.460	2.842	40	5		IFBBRN
Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000009059327	569293290	/nfs/dbraw/zinc/29/32/90/569293290.db2.gz	AYRJEPVYRPNSSW-UHFFFAOYSA-N	0	0	444.429	2.941	40	5		IFBBRN
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000009064702	569293426	/nfs/dbraw/zinc/29/34/26/569293426.db2.gz	SAYXMOALVJYOEM-UHFFFAOYSA-N	0	0	449.420	2.606	40	5		IFBBRN
CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@@H]4C[C@@](C)(CC(C)(C)C4)[C@H]32)C1=O	ZINC000009122749	569293793	/nfs/dbraw/zinc/29/37/93/569293793.db2.gz	WOFRBXRXDAHTHO-GYISASMLSA-N	0	0	426.473	2.619	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(C)cc3)N3CCC[C@H]23)C1O	ZINC000009486892	569296819	/nfs/dbraw/zinc/29/68/19/569296819.db2.gz	XRFUZDGZJQPXTQ-QYRPDUKASA-N	0	0	449.463	2.747	40	5		IFBBRN
CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000113890142	569297091	/nfs/dbraw/zinc/29/70/91/569297091.db2.gz	CEDNWPOWSRVQCY-UHFFFAOYSA-N	0	0	443.821	2.915	40	5		IFBBRN
COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000010119981	569299282	/nfs/dbraw/zinc/29/92/82/569299282.db2.gz	VWBRTOMRKPKTPG-UHFFFAOYSA-N	0	0	426.414	2.787	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000011128145	569301904	/nfs/dbraw/zinc/30/19/04/569301904.db2.gz	IYORBXCWSONNDN-UHFFFAOYSA-N	0	0	433.486	2.951	40	5		IFBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000019643224	569325041	/nfs/dbraw/zinc/32/50/41/569325041.db2.gz	LIPWKZLAECGMIA-UHFFFAOYSA-N	0	0	445.457	2.775	40	5		IFBBRN
CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(Cl)c1	ZINC000019930237	569332057	/nfs/dbraw/zinc/33/20/57/569332057.db2.gz	AYBPTZIKGGPYQW-UHFFFAOYSA-N	0	0	427.866	2.906	40	5		IFBBRN
O=C(c1ccc2ccccc2n1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	ZINC000020437054	569365341	/nfs/dbraw/zinc/36/53/41/569365341.db2.gz	MNBVWZOZXULHCN-UHFFFAOYSA-N	0	0	447.495	2.942	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1	ZINC000225525684	569403601	/nfs/dbraw/zinc/40/36/01/569403601.db2.gz	ZBZQAHRDLDFLHB-UHFFFAOYSA-N	0	0	425.488	2.585	40	5		IFBBRN
COc1cc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-]	ZINC000225696581	569407180	/nfs/dbraw/zinc/40/71/80/569407180.db2.gz	BIZWQQDSYNGQBW-KRWDZBQOSA-N	0	0	443.500	2.967	40	5		IFBBRN
CCCSc1nnc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1	ZINC000225731886	569407663	/nfs/dbraw/zinc/40/76/63/569407663.db2.gz	FCIIIDVGAXLNKC-JTQLQIEISA-N	0	0	445.548	2.742	40	5		IFBBRN
C[C@H]1CCC[C@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000038828430	569469108	/nfs/dbraw/zinc/46/91/08/569469108.db2.gz	LCOBDVHVBIWIHU-HUBLWGQQSA-N	0	0	440.460	2.510	40	5		IFBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21	ZINC000040399730	569501142	/nfs/dbraw/zinc/50/11/42/569501142.db2.gz	LIUCDDYBCBCMGW-AWEZNQCLSA-N	0	0	438.375	2.625	40	5		IFBBRN
CCS(=O)(=O)N1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc21	ZINC000010009254	132333850	/nfs/dbraw/zinc/33/38/50/132333850.db2.gz	XUMSWCGCJQTEGY-MRXNPFEDSA-N	0	0	425.850	2.804	40	5		IFBBRN
CCOC(=O)C1=C(N)O[C@@H]2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000016682557	520531705	/nfs/dbraw/zinc/53/17/05/520531705.db2.gz	XJJJMFWPPXFHSX-OWCLPIDISA-N	0	0	433.417	2.724	40	5		IFBBRN
CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000022252255	521480101	/nfs/dbraw/zinc/48/01/01/521480101.db2.gz	VQMXZPCSJPAGME-UHFFFAOYSA-N	0	0	437.474	2.959	40	5		IFBBRN
CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O	ZINC000022252263	521481141	/nfs/dbraw/zinc/48/11/41/521481141.db2.gz	OTLBBAVOMHZZJM-UHFFFAOYSA-N	0	0	437.474	2.959	40	5		IFBBRN
CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000022253009	521659117	/nfs/dbraw/zinc/65/91/17/521659117.db2.gz	PHJXPOYZOIPUEQ-UHFFFAOYSA-N	0	0	437.474	2.959	40	5		IFBBRN
CC[C@@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(OC)cc1	ZINC000022375287	522683821	/nfs/dbraw/zinc/68/38/21/522683821.db2.gz	GDWDNVXRNUPABJ-GOSISDBHSA-N	0	0	435.502	2.945	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1cc(C)ccc1C)S(C)(=O)=O	ZINC000022367139	525465020	/nfs/dbraw/zinc/46/50/20/525465020.db2.gz	RXJBMLBFGIOZNL-HNNXBMFYSA-N	0	0	435.502	2.864	40	5		IFBBRN
COc1ccccc1N1C(SCc2ccc([N+](=O)[O-])cc2)=N[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000032640674	556412966	/nfs/dbraw/zinc/41/29/66/556412966.db2.gz	OEXDRIWUCQPADP-RDJZCZTQSA-N	0	0	433.511	2.878	40	5		IFBBRN
COc1ccccc1N1C(SCc2ccc([N+](=O)[O-])cc2)=N[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000032640675	556412999	/nfs/dbraw/zinc/41/29/99/556412999.db2.gz	OEXDRIWUCQPADP-NVXWUHKLSA-N	0	0	433.511	2.878	40	5		IFBBRN
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1	ZINC000408653943	556613472	/nfs/dbraw/zinc/61/34/72/556613472.db2.gz	QEALQNNXTZDKQW-OALUTQOASA-N	0	0	433.420	2.786	40	5		IFBBRN
Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-]	ZINC000408656267	556613685	/nfs/dbraw/zinc/61/36/85/556613685.db2.gz	NBBWHHDVYQGVHM-RDJZCZTQSA-N	0	0	425.441	2.995	40	5		IFBBRN
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1	ZINC000408655621	556613695	/nfs/dbraw/zinc/61/36/95/556613695.db2.gz	HWCLVYRYQVNIFE-KDURUIRLSA-N	0	0	449.419	2.846	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O	ZINC000408672364	556614492	/nfs/dbraw/zinc/61/44/92/556614492.db2.gz	WCOWYNYMYKZKAC-GFCCVEGCSA-N	0	0	447.831	2.792	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c(C)c2)CC1=O	ZINC000408671018	556614502	/nfs/dbraw/zinc/61/45/02/556614502.db2.gz	RSMCTXFDTXDMCT-HNNXBMFYSA-N	0	0	441.440	2.755	40	5		IFBBRN
CCS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)OCO2	ZINC000408702068	556618028	/nfs/dbraw/zinc/61/80/28/556618028.db2.gz	AYOQQXUSQOVQRF-UHFFFAOYSA-N	0	0	441.849	2.772	40	5		IFBBRN
CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1	ZINC000409027878	556628441	/nfs/dbraw/zinc/62/84/41/556628441.db2.gz	UTGVGHPIJZAQAR-UHFFFAOYSA-N	0	0	428.264	2.762	40	5		IFBBRN
CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O	ZINC000409203438	556634255	/nfs/dbraw/zinc/63/42/55/556634255.db2.gz	XCXIDFGNWSCPOH-GPLLRDDGSA-N	0	0	449.485	2.809	40	5		IFBBRN
CCSc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5OC)c(=O)c4cc3c2=O)n1	ZINC000040398939	556641191	/nfs/dbraw/zinc/64/11/91/556641191.db2.gz	IKIBGVIVKGOJIK-UHFFFAOYSA-N	0	0	446.492	2.929	40	5		IFBBRN
Cc1ccc(OC[C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1	ZINC000220037192	556810216	/nfs/dbraw/zinc/81/02/16/556810216.db2.gz	AXOGNRXJFZQZKE-OAHLLOKOSA-N	0	0	435.502	2.561	40	5		IFBBRN
Cc1ccc(OC[C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1	ZINC000220037256	556810511	/nfs/dbraw/zinc/81/05/11/556810511.db2.gz	AXOGNRXJFZQZKE-HNNXBMFYSA-N	0	0	435.502	2.561	40	5		IFBBRN
C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@H]1C	ZINC000032945173	556916239	/nfs/dbraw/zinc/91/62/39/556916239.db2.gz	IYXQKNVLLSQGHI-LALPHHSUSA-N	0	0	425.869	2.605	40	5		IFBBRN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1	ZINC000409051806	556933426	/nfs/dbraw/zinc/93/34/26/556933426.db2.gz	NDQRXZKMJGCVLN-UHFFFAOYSA-N	0	0	436.512	2.791	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2)n1C	ZINC000409152089	556978388	/nfs/dbraw/zinc/97/83/88/556978388.db2.gz	AEQHOYNTTZGNOL-UHFFFAOYSA-N	0	0	440.485	2.693	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O	ZINC000220106441	556986556	/nfs/dbraw/zinc/98/65/56/556986556.db2.gz	BSRGNSURGAFTEJ-UHFFFAOYSA-N	0	0	437.474	2.795	40	5		IFBBRN
COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	ZINC000220386548	557134167	/nfs/dbraw/zinc/13/41/67/557134167.db2.gz	BZEDURKJFVVGLG-AWEZNQCLSA-N	0	0	449.485	2.791	40	5		IFBBRN
CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	ZINC000220393976	557135486	/nfs/dbraw/zinc/13/54/86/557135486.db2.gz	YXQQCTXCEIWTHJ-AWEZNQCLSA-N	0	0	449.485	2.873	40	5		IFBBRN
COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000220395397	557135960	/nfs/dbraw/zinc/13/59/60/557135960.db2.gz	ZVBWOIGINXKBLC-LSDHHAIUSA-N	0	0	435.502	2.944	40	5		IFBBRN
C[C@@H](C(=O)NCCSC1CCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220408800	557143742	/nfs/dbraw/zinc/14/37/42/557143742.db2.gz	UBTFLFRESNGPQJ-AWEZNQCLSA-N	0	0	429.564	2.931	40	5		IFBBRN
C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220414447	557149440	/nfs/dbraw/zinc/14/94/40/557149440.db2.gz	WGCHQKJPSGDEQT-JTQLQIEISA-N	0	0	442.837	2.950	40	5		IFBBRN
CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1	ZINC000220418197	557149786	/nfs/dbraw/zinc/14/97/86/557149786.db2.gz	IXRQGWDZEWSVCD-CQSZACIVSA-N	0	0	449.485	2.873	40	5		IFBBRN
CC1=C([C@H](c2ccccc2)[C@H]2C(=O)N(c3ccccc3)N[C@H]2C)S(=O)(=O)CC1[N+](=O)[O-]	ZINC000100929231	557202099	/nfs/dbraw/zinc/20/20/99/557202099.db2.gz	URKMBVGYVBCIRQ-JOCLIGHLSA-N	0	0	441.509	2.674	40	5		IFBBRN
Cc1c(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000220035425	557278071	/nfs/dbraw/zinc/27/80/71/557278071.db2.gz	TVQLOFVIPSUTTC-UHFFFAOYSA-N	0	0	435.502	2.773	40	5		IFBBRN
O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000014269633	557332594	/nfs/dbraw/zinc/33/25/94/557332594.db2.gz	QRDSTWFCPFXHOA-UHFFFAOYSA-N	0	0	449.420	2.606	40	5		IFBBRN
O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)Nc1ccc([N+](=O)[O-])cc1	ZINC000013572360	557348101	/nfs/dbraw/zinc/34/81/01/557348101.db2.gz	MWNHNOOEPBUXAN-UONOGXRCSA-N	0	0	444.538	2.832	40	5		IFBBRN
O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1	ZINC000216316049	557395386	/nfs/dbraw/zinc/39/53/86/557395386.db2.gz	OXSRZXKJJKDPIR-UHFFFAOYSA-N	0	0	439.515	2.711	40	5		IFBBRN
CCN(CC)c1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)n(C)c(=O)n2C	ZINC000408529911	557412998	/nfs/dbraw/zinc/41/29/98/557412998.db2.gz	KLYJJGBQTXQVSL-UHFFFAOYSA-N	0	0	442.432	2.792	40	5		IFBBRN
COC(=O)CN1C(=O)N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O	ZINC000408548509	557415856	/nfs/dbraw/zinc/41/58/56/557415856.db2.gz	HYBCUGZYHPMWBM-VCHYOVAHSA-N	0	0	434.408	2.664	40	5		IFBBRN
O=Cc1cc([N+](=O)[O-])ccc1Sc1nc(Nc2ccccc2)nc(N2CCOCC2)n1	ZINC000408607712	557421406	/nfs/dbraw/zinc/42/14/06/557421406.db2.gz	ULGQKNBSGDPDDR-UHFFFAOYSA-N	0	0	438.469	2.746	40	5		IFBBRN
COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000408611843	557421920	/nfs/dbraw/zinc/42/19/20/557421920.db2.gz	WZIXLKOUECCILB-NSHDSACASA-N	0	0	427.866	2.871	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)c1	ZINC000408642956	557424786	/nfs/dbraw/zinc/42/47/86/557424786.db2.gz	PZWHYZHUUJIOGX-LLVKDONJSA-N	0	0	430.373	2.512	40	5		IFBBRN
COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)CCCC2=O)cc1	ZINC000408649877	557425503	/nfs/dbraw/zinc/42/55/03/557425503.db2.gz	LRCRBHKHGZYDHR-CQSZACIVSA-N	0	0	439.424	2.771	40	5		IFBBRN
CCCC[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O	ZINC000408663797	557426334	/nfs/dbraw/zinc/42/63/34/557426334.db2.gz	OWLWMMYUZMSGET-SFHVURJKSA-N	0	0	439.424	2.932	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1	ZINC000408664258	557426659	/nfs/dbraw/zinc/42/66/59/557426659.db2.gz	ZDKQAZMXGZSMBF-HNNXBMFYSA-N	0	0	441.440	2.755	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(C)cc(C)c2)CC1=O	ZINC000408668378	557426661	/nfs/dbraw/zinc/42/66/61/557426661.db2.gz	KTFWSVHDQVLAQL-OAHLLOKOSA-N	0	0	441.440	2.755	40	5		IFBBRN
Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1[N+](=O)[O-]	ZINC000408662304	557426931	/nfs/dbraw/zinc/42/69/31/557426931.db2.gz	XSHUEGICORLHBB-CQSZACIVSA-N	0	0	427.369	2.590	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O	ZINC000408667072	557427705	/nfs/dbraw/zinc/42/77/05/557427705.db2.gz	IYZCMCKEKGSTFZ-GFCCVEGCSA-N	0	0	447.831	2.792	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(F)cc3)N3N=CC=C[C@@H]23)C1O	ZINC000103562092	557438945	/nfs/dbraw/zinc/43/89/45/557438945.db2.gz	JYQKECMMEZRDPQ-NBYUQASBSA-N	0	0	448.410	2.639	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C(C)=O)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O	ZINC000103966662	557443066	/nfs/dbraw/zinc/44/30/66/557443066.db2.gz	UPBYRKFPAKVBFS-XSDIEEQYSA-N	0	0	433.420	2.708	40	5		IFBBRN
CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)c(F)c1	ZINC000225112097	557688567	/nfs/dbraw/zinc/68/85/67/557688567.db2.gz	BGQGYJXMJFROFT-UHFFFAOYSA-N	0	0	442.421	2.510	40	5		IFBBRN
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccccc1F	ZINC000033653642	557809714	/nfs/dbraw/zinc/80/97/14/557809714.db2.gz	GIEFJKBWWSHGHS-SOFGYWHQSA-N	0	0	427.344	2.921	40	5		IFBBRN
CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@H]5ON=C(c6ccc([N+](=O)[O-])cc6)[C@@H]54)[C@@H]3C2=O)cc1	ZINC000033821749	557810011	/nfs/dbraw/zinc/81/00/11/557810011.db2.gz	CSHCMAAIBIKRNH-MGKGBGQOSA-N	0	0	445.431	2.972	40	5		IFBBRN
NC(=O)OC[C@H](COc1ccc(Cl)cc1)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000001624693	562923329	/nfs/dbraw/zinc/92/33/29/562923329.db2.gz	PRZKFAPINLZRBT-HNNXBMFYSA-N	0	0	439.764	2.856	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222363949	568638221	/nfs/dbraw/zinc/63/82/21/568638221.db2.gz	LCGCVWXIYZVDGX-UHFFFAOYSA-N	0	0	436.446	2.996	40	5		IFBBRN
CN(CCCNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1	ZINC000222368341	568638475	/nfs/dbraw/zinc/63/84/75/568638475.db2.gz	KHBFNRCOPRYTSL-UHFFFAOYSA-N	0	0	448.545	2.784	40	5		IFBBRN
COc1ccccc1CNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222373768	568640402	/nfs/dbraw/zinc/64/04/02/568640402.db2.gz	FOQIOXZKUBHAMR-UHFFFAOYSA-N	0	0	435.502	2.774	40	5		IFBBRN
COC(=O)c1ccccc1NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222372981	568640469	/nfs/dbraw/zinc/64/04/69/568640469.db2.gz	NSIIVCBELFTVJW-UHFFFAOYSA-N	0	0	449.485	2.875	40	5		IFBBRN
CC[C@H](C(=O)Nc1cc(OC)ccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222516218	568649811	/nfs/dbraw/zinc/64/98/11/568649811.db2.gz	SGIAGUNUQDVUOP-QGZVFWFLSA-N	0	0	437.474	2.795	40	5		IFBBRN
CC[C@@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222512581	568649828	/nfs/dbraw/zinc/64/98/28/568649828.db2.gz	FNCVEMQWFIKGIZ-IBGZPJMESA-N	0	0	435.502	2.807	40	5		IFBBRN
CC[C@H](C(=O)NCCc1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222518892	568649965	/nfs/dbraw/zinc/64/99/65/568649965.db2.gz	BEPPJHUBJAGMNX-LJQANCHMSA-N	0	0	435.502	2.507	40	5		IFBBRN
CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222520608	568650265	/nfs/dbraw/zinc/65/02/65/568650265.db2.gz	FFFVHKJEUUUHIQ-SFHVURJKSA-N	0	0	449.485	2.873	40	5		IFBBRN
CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222537075	568651668	/nfs/dbraw/zinc/65/16/68/568651668.db2.gz	NQKBEMNQSBLXMW-INIZCTEOSA-N	0	0	449.485	2.858	40	5		IFBBRN
CC[C@@H](C(=O)NCc1ccc(F)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222548607	568652713	/nfs/dbraw/zinc/65/27/13/568652713.db2.gz	GQLXSOYGGKNUAT-INIZCTEOSA-N	0	0	439.465	2.604	40	5		IFBBRN
CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000222780373	568661548	/nfs/dbraw/zinc/66/15/48/568661548.db2.gz	BMPBYFAOJWOOFE-OAHLLOKOSA-N	0	0	431.514	3.000	40	5		IFBBRN
CC[C@H](C(=O)Nc1nnc(SC)s1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000223868881	568877551	/nfs/dbraw/zinc/87/75/51/568877551.db2.gz	LJERTVJMWCNVKX-LLVKDONJSA-N	0	0	445.548	2.660	40	5		IFBBRN
Cc1cc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1[N+](=O)[O-]	ZINC000224357546	568923295	/nfs/dbraw/zinc/92/32/95/568923295.db2.gz	RJIUPZBRICXBRP-UHFFFAOYSA-N	0	0	447.513	2.887	40	5		IFBBRN
CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OCC)cc1	ZINC000224599683	568940919	/nfs/dbraw/zinc/94/09/19/568940919.db2.gz	VEUBAMTWNJKROR-UHFFFAOYSA-N	0	0	438.458	2.761	40	5		IFBBRN
CCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)N2N1	ZINC000588228276	569145548	/nfs/dbraw/zinc/14/55/48/569145548.db2.gz	IMOYDOJEPKSUPN-GOSISDBHSA-N	0	0	443.916	2.925	40	5		IFBBRN
CCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)N2N1	ZINC000588228238	569145593	/nfs/dbraw/zinc/14/55/93/569145593.db2.gz	KSBPUJWQZYEKLA-KRWDZBQOSA-N	0	0	429.889	2.534	40	5		IFBBRN
CCOC(=O)C=C(Nc1cc(I)ccc1[N+](=O)[O-])C(=O)OCC	ZINC000016931846	569166596	/nfs/dbraw/zinc/16/65/96/569166596.db2.gz	CLCDORVOPCMKQI-DHZHZOJOSA-N	0	0	434.186	2.621	40	5		IFBBRN
CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000224811750	569187674	/nfs/dbraw/zinc/18/76/74/569187674.db2.gz	DSZHPXRVAMGHQU-UHFFFAOYSA-N	0	0	438.458	2.679	40	5		IFBBRN
CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225077150	569214289	/nfs/dbraw/zinc/21/42/89/569214289.db2.gz	BUKDOZFXDQVOFP-UHFFFAOYSA-N	0	0	438.458	2.679	40	5		IFBBRN
CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000225067011	569215170	/nfs/dbraw/zinc/21/51/70/569215170.db2.gz	DUTYBGFGXYHUKI-QGZVFWFLSA-N	0	0	443.500	2.968	40	5		IFBBRN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccccc3)N3N=CC=C[C@H]23)C1O	ZINC000009332808	569295661	/nfs/dbraw/zinc/29/56/61/569295661.db2.gz	DIKMEPIJUPGTNE-WTGUMLROSA-N	0	0	430.420	2.500	40	5		IFBBRN
Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@@H]34)C2O)cc1	ZINC000009329957	569295729	/nfs/dbraw/zinc/29/57/29/569295729.db2.gz	NATSYMZBJWSXHG-NMLBUPMWSA-N	0	0	430.420	2.500	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(C)(=O)=O	ZINC000113939933	569297337	/nfs/dbraw/zinc/29/73/37/569297337.db2.gz	YKAXTQOXDSSCMC-UHFFFAOYSA-N	0	0	435.502	2.773	40	5		IFBBRN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1	ZINC000009974337	569298726	/nfs/dbraw/zinc/29/87/26/569298726.db2.gz	DXYFGCUVJFPJPB-OAHLLOKOSA-N	0	0	433.486	2.951	40	5		IFBBRN
CC[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000260507738	569307030	/nfs/dbraw/zinc/30/70/30/569307030.db2.gz	ODEWQHGPTGQXRB-HXUWFJFHSA-N	0	0	448.545	2.782	40	5		IFBBRN
CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccc3c(c2)OCO3)N[C@@H](c2ccc3c(c2)OCO3)[C@@H]1[N+](=O)[O-]	ZINC000013382115	569315244	/nfs/dbraw/zinc/31/52/44/569315244.db2.gz	KOGKQDDNBIWGRO-YRPNKDGESA-N	0	0	443.412	2.846	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1	ZINC000038859781	569469270	/nfs/dbraw/zinc/46/92/70/569469270.db2.gz	SECWZFONPQWPHS-INIZCTEOSA-N	0	0	425.850	2.722	40	5		IFBBRN
CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000040390475	569501117	/nfs/dbraw/zinc/50/11/17/569501117.db2.gz	CJOBDRHFBIITQY-ZFWWWQNUSA-N	0	0	440.460	2.512	40	5		IFBBRN
CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000040390511	569501145	/nfs/dbraw/zinc/50/11/45/569501145.db2.gz	PRLYQHUUWUJINA-ZFWWWQNUSA-N	0	0	440.460	2.512	40	5		IFBBRN
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21	ZINC000040399724	569501174	/nfs/dbraw/zinc/50/11/74/569501174.db2.gz	BXWJDFVZYPXCED-CQSZACIVSA-N	0	0	438.375	2.625	40	5		IFBBRN
CCc1ccc([C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1	ZINC000223312153	193965338	/nfs/dbraw/zinc/96/53/38/193965338.db2.gz	KPSQRMUBPPWCQG-CQSZACIVSA-N	0	0	435.502	2.809	40	5		IFBBRN
CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc21	ZINC000010009255	132333856	/nfs/dbraw/zinc/33/38/56/132333856.db2.gz	XUMSWCGCJQTEGY-INIZCTEOSA-N	0	0	425.850	2.804	40	5		IFBBRN
CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000020802362	521090908	/nfs/dbraw/zinc/09/09/08/521090908.db2.gz	MKKSNLBGWHOXHE-RBUKOAKNSA-N	0	0	438.440	2.706	40	5		IFBBRN
CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000020802068	521091695	/nfs/dbraw/zinc/09/16/95/521091695.db2.gz	ZYBSJQKINYWSSO-RBUKOAKNSA-N	0	0	438.440	2.706	40	5		IFBBRN
CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020802124	521091916	/nfs/dbraw/zinc/09/19/16/521091916.db2.gz	IOTGKBWDFPBPKZ-RBUKOAKNSA-N	0	0	438.440	2.706	40	5		IFBBRN
CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000020802359	521278186	/nfs/dbraw/zinc/27/81/86/521278186.db2.gz	MKKSNLBGWHOXHE-RTBURBONSA-N	0	0	438.440	2.706	40	5		IFBBRN
CCn1c2ccccc2nc1N1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1	ZINC000012639950	523287603	/nfs/dbraw/zinc/28/76/03/523287603.db2.gz	PCLBWLRZGMWJOI-UHFFFAOYSA-N	0	0	438.488	2.734	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(C)(=O)=O	ZINC000020495151	525464231	/nfs/dbraw/zinc/46/42/31/525464231.db2.gz	CBQFKOWSLPOTIF-UHFFFAOYSA-N	0	0	441.893	2.681	40	5		IFBBRN
C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@@H]1C	ZINC000032945174	525887995	/nfs/dbraw/zinc/88/79/95/525887995.db2.gz	IYXQKNVLLSQGHI-YWPYICTPSA-N	0	0	425.869	2.605	40	5		IFBBRN
COc1c(OC(C)=O)ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c1[N+](=O)[O-]	ZINC000408721545	556147337	/nfs/dbraw/zinc/14/73/37/556147337.db2.gz	SJWIQJCJRHCONB-MFOYZWKCSA-N	0	0	439.449	2.916	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(C)c(C)c2)CC1=O	ZINC000408654798	556613439	/nfs/dbraw/zinc/61/34/39/556613439.db2.gz	QVCIFRBAVFYXEM-INIZCTEOSA-N	0	0	426.425	2.999	40	5		IFBBRN
CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O	ZINC000408656704	556613629	/nfs/dbraw/zinc/61/36/29/556613629.db2.gz	IVIAWYUCGOOZOG-HNNXBMFYSA-N	0	0	441.440	2.837	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1	ZINC000408656082	556613667	/nfs/dbraw/zinc/61/36/67/556613667.db2.gz	IJBPUFUXBQIORA-HNNXBMFYSA-N	0	0	441.440	2.755	40	5		IFBBRN
COc1ccc(-c2nnc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1OC	ZINC000408714819	556617734	/nfs/dbraw/zinc/61/77/34/556617734.db2.gz	XFAPLGLPJPTJNE-UHFFFAOYSA-N	0	0	443.372	2.842	40	5		IFBBRN
Cc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000033676475	556620437	/nfs/dbraw/zinc/62/04/37/556620437.db2.gz	KXONZDYINQEQJK-ZVVFGRKBSA-N	0	0	446.463	2.643	40	5		IFBBRN
O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O)N1CCN(c2ccccc2)CC1	ZINC000409010283	556627657	/nfs/dbraw/zinc/62/76/57/556627657.db2.gz	BQKISIIDKVAZNL-FOWTUZBSSA-N	0	0	442.453	2.573	40	5		IFBBRN
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O	ZINC000409234845	556635730	/nfs/dbraw/zinc/63/57/30/556635730.db2.gz	NEMRJKRFYMHOTQ-OQLLNIDSSA-N	0	0	430.804	2.788	40	5		IFBBRN
CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(Cc4ccco4)c(=O)c3cc2c1=O	ZINC000040399112	556641462	/nfs/dbraw/zinc/64/14/62/556641462.db2.gz	UWWBBYYYRRVUCU-UHFFFAOYSA-N	0	0	445.435	2.550	40	5		IFBBRN
COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1Cl	ZINC000409113314	556958070	/nfs/dbraw/zinc/95/80/70/556958070.db2.gz	AHWPLYAZIULQKF-UHFFFAOYSA-N	0	0	443.865	2.670	40	5		IFBBRN
COc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(OC(C)=O)cc2)c([N+](=O)[O-])c1	ZINC000409180408	556989117	/nfs/dbraw/zinc/98/91/17/556989117.db2.gz	RZSWKWYSBIPSGC-UHFFFAOYSA-N	0	0	444.396	2.674	40	5		IFBBRN
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O	ZINC000409231254	557022904	/nfs/dbraw/zinc/02/29/04/557022904.db2.gz	JBYCXGJBHGXEJW-RIYZIHGNSA-N	0	0	430.804	2.788	40	5		IFBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2)n1C	ZINC000409344449	557071540	/nfs/dbraw/zinc/07/15/40/557071540.db2.gz	JGYGPRRGQCHKCN-UHFFFAOYSA-N	0	0	440.485	2.944	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCSc1ccccc1)S(C)(=O)=O	ZINC000220383467	557133910	/nfs/dbraw/zinc/13/39/10/557133910.db2.gz	NDHLVDNGTWALAE-OAHLLOKOSA-N	0	0	437.543	2.966	40	5		IFBBRN
Cc1ccc(OCCNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000220393187	557135583	/nfs/dbraw/zinc/13/55/83/557135583.db2.gz	RQPCGQLXDNDJAQ-MRXNPFEDSA-N	0	0	435.502	2.561	40	5		IFBBRN
O=c1c2ccc3c(=O)n(Nc4ccccc4)c(=O)c4ccc(c(=O)n1Nc1ccccc1)c2c34	ZINC000103756374	557139842	/nfs/dbraw/zinc/13/98/42/557139842.db2.gz	GSGPCWQRHWOLEG-UHFFFAOYSA-N	0	0	448.438	2.816	40	5		IFBBRN
CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000220401584	557143492	/nfs/dbraw/zinc/14/34/92/557143492.db2.gz	LHIRSQWIGAXYFP-ZDUSSCGKSA-N	0	0	435.458	2.565	40	5		IFBBRN
CCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220412933	557149362	/nfs/dbraw/zinc/14/93/62/557149362.db2.gz	YZGDNUHOZXEPEJ-AWEZNQCLSA-N	0	0	448.501	2.528	40	5		IFBBRN
CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000220417732	557149724	/nfs/dbraw/zinc/14/97/24/557149724.db2.gz	QDWAGYCBXMCMMY-CYBMUJFWSA-N	0	0	435.458	2.565	40	5		IFBBRN
COc1ccc(CCCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000220416737	557149823	/nfs/dbraw/zinc/14/98/23/557149823.db2.gz	HHNYIEMADSHGKQ-OAHLLOKOSA-N	0	0	435.502	2.507	40	5		IFBBRN
COc1ccc(CCCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000220416804	557149830	/nfs/dbraw/zinc/14/98/30/557149830.db2.gz	HHNYIEMADSHGKQ-HNNXBMFYSA-N	0	0	435.502	2.507	40	5		IFBBRN
C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220422502	557154429	/nfs/dbraw/zinc/15/44/29/557154429.db2.gz	RZKLZJJQRPEKKW-CQSZACIVSA-N	0	0	446.485	2.515	40	5		IFBBRN
Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000220423064	557154431	/nfs/dbraw/zinc/15/44/31/557154431.db2.gz	JACRUYJUNZARDM-HZPDHXFCSA-N	0	0	435.502	2.641	40	5		IFBBRN
COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2N2CCCN12	ZINC000102707483	557365373	/nfs/dbraw/zinc/36/53/73/557365373.db2.gz	ZUGSKSUVRQAMHQ-CEXWTWQISA-N	0	0	442.859	2.792	40	5		IFBBRN
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1	ZINC000408550477	557415794	/nfs/dbraw/zinc/41/57/94/557415794.db2.gz	CTWUMJASKFFBBU-AWEZNQCLSA-N	0	0	449.485	2.651	40	5		IFBBRN
COc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1Br	ZINC000408567798	557418359	/nfs/dbraw/zinc/41/83/59/557418359.db2.gz	RJAJBISPEUTTND-KHDYIWLOSA-N	0	0	432.274	2.980	40	5		IFBBRN
COc1cccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)c1	ZINC000408564157	557418697	/nfs/dbraw/zinc/41/86/97/557418697.db2.gz	VGJCEFGWLXLULC-GOSISDBHSA-N	0	0	439.346	2.870	40	5		IFBBRN
CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3C)CC2)c([N+](=O)[O-])c1	ZINC000408571489	557419028	/nfs/dbraw/zinc/41/90/28/557419028.db2.gz	COXFVQSKICFYLL-UHFFFAOYSA-N	0	0	427.457	2.808	40	5		IFBBRN
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cccs3)CC2)c([N+](=O)[O-])c1	ZINC000408576261	557419130	/nfs/dbraw/zinc/41/91/30/557419130.db2.gz	WRCZFXPQPGSHRQ-UHFFFAOYSA-N	0	0	448.526	2.670	40	5		IFBBRN
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000408571306	557419255	/nfs/dbraw/zinc/41/92/55/557419255.db2.gz	AANCPAAZHZSKPT-UHFFFAOYSA-N	0	0	442.497	2.608	40	5		IFBBRN
CCCCCC(=O)NC(=S)N1CCN(c2ccc(C(=O)OCC)cc2[N+](=O)[O-])CC1	ZINC000408571728	557420014	/nfs/dbraw/zinc/42/00/14/557420014.db2.gz	DNZGJCWQUQTZSS-UHFFFAOYSA-N	0	0	436.534	2.875	40	5		IFBBRN
CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000408597677	557421979	/nfs/dbraw/zinc/42/19/79/557421979.db2.gz	VTAZQCJQKCQFRD-NSHDSACASA-N	0	0	427.866	2.952	40	5		IFBBRN
CCCCOC(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000408618663	557422235	/nfs/dbraw/zinc/42/22/35/557422235.db2.gz	LBLXCVCKUCIBRW-UHFFFAOYSA-N	0	0	449.485	2.956	40	5		IFBBRN
COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000408666230	557427684	/nfs/dbraw/zinc/42/76/84/557427684.db2.gz	XQIRQOXICJNZCB-UHFFFAOYSA-N	0	0	443.412	2.590	40	5		IFBBRN
CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1	ZINC000408670553	557427689	/nfs/dbraw/zinc/42/76/89/557427689.db2.gz	RETPSCRUTLAEON-INIZCTEOSA-N	0	0	439.424	2.641	40	5		IFBBRN
O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1	ZINC000014270399	557429631	/nfs/dbraw/zinc/42/96/31/557429631.db2.gz	FRSWEBWRRMKTOZ-UHFFFAOYSA-N	0	0	442.238	2.831	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccccc3)N3N=CC=C[C@@H]23)C1O	ZINC000104099100	557450086	/nfs/dbraw/zinc/45/00/86/557450086.db2.gz	ALIPBAZNQJSQLD-NBYUQASBSA-N	0	0	430.420	2.500	40	5		IFBBRN
CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(F)c1	ZINC000225113014	557688762	/nfs/dbraw/zinc/68/87/62/557688762.db2.gz	FAAREWFTKSEQQN-UHFFFAOYSA-N	0	0	426.422	2.809	40	5		IFBBRN
CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000222515403	568649833	/nfs/dbraw/zinc/64/98/33/568649833.db2.gz	QTIGRIXGRBYJNB-GOSISDBHSA-N	0	0	449.485	2.955	40	5		IFBBRN
CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222521893	568650253	/nfs/dbraw/zinc/65/02/53/568650253.db2.gz	ZUZGVCZCDUBRDH-INIZCTEOSA-N	0	0	435.458	2.549	40	5		IFBBRN
CC[C@H](C(=O)N(C)Cc1ccccc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222543689	568652180	/nfs/dbraw/zinc/65/21/80/568652180.db2.gz	QNGFGJPXKAIZDC-QGZVFWFLSA-N	0	0	435.502	2.807	40	5		IFBBRN
CC[C@H](C(=O)Nc1cccc(OC)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222545409	568652302	/nfs/dbraw/zinc/65/23/02/568652302.db2.gz	UIDUQHYRNYGMIP-MRXNPFEDSA-N	0	0	437.474	2.795	40	5		IFBBRN
CC[C@H](C(=O)Nc1ccc(OC)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222545566	568652335	/nfs/dbraw/zinc/65/23/35/568652335.db2.gz	ZPMIDDSWJDWFAO-MRXNPFEDSA-N	0	0	437.474	2.795	40	5		IFBBRN
CCOc1c(O)ccc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)c1[N+](=O)[O-]	ZINC000261362828	568733030	/nfs/dbraw/zinc/73/30/30/568733030.db2.gz	MPBIAYHLZUSVPN-KRWDZBQOSA-O	0	0	428.450	2.844	40	5		IFBBRN
CCOc1c(O)ccc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)c1[N+](=O)[O-]	ZINC000261362829	568733047	/nfs/dbraw/zinc/73/30/47/568733047.db2.gz	MPBIAYHLZUSVPN-QGZVFWFLSA-O	0	0	428.450	2.844	40	5		IFBBRN
COc1ccc(C)cc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O	ZINC000218266929	568741248	/nfs/dbraw/zinc/74/12/48/568741248.db2.gz	DGGNBSBGWOAIND-UHFFFAOYSA-N	0	0	427.866	2.970	40	5		IFBBRN
COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1OC	ZINC000223582366	568875762	/nfs/dbraw/zinc/87/57/62/568875762.db2.gz	XVSBWVFTQGUDKF-UHFFFAOYSA-N	0	0	448.457	2.791	40	5		IFBBRN
CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223631898	568876035	/nfs/dbraw/zinc/87/60/35/568876035.db2.gz	JTYROKHVSIGDRX-INIZCTEOSA-N	0	0	429.473	2.844	40	5		IFBBRN
COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)c(OC)c1	ZINC000223772644	568877258	/nfs/dbraw/zinc/87/72/58/568877258.db2.gz	UVODKYSLAGDNQD-UHFFFAOYSA-N	0	0	448.457	2.791	40	5		IFBBRN
CS(=O)(=O)N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000223776116	568877323	/nfs/dbraw/zinc/87/73/23/568877323.db2.gz	KPBINFJCIMQRAK-UHFFFAOYSA-N	0	0	440.481	2.985	40	5		IFBBRN
CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223827290	568877431	/nfs/dbraw/zinc/87/74/31/568877431.db2.gz	SQMHRNKKDYZKFI-CQSZACIVSA-N	0	0	433.436	2.675	40	5		IFBBRN
Cc1cccc(OCCNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1C	ZINC000223954545	568879906	/nfs/dbraw/zinc/87/99/06/568879906.db2.gz	GHLCQWDELMKBPZ-KRWDZBQOSA-N	0	0	449.529	2.870	40	5		IFBBRN
CC[C@H](C(=O)NCCOc1cccc(C)c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000223957110	568879950	/nfs/dbraw/zinc/87/99/50/568879950.db2.gz	NUDVBDAGGAYJOJ-LJQANCHMSA-N	0	0	449.529	2.951	40	5		IFBBRN
CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000224002230	568880291	/nfs/dbraw/zinc/88/02/91/568880291.db2.gz	ASMMVXKPSDMTER-OAHLLOKOSA-N	0	0	445.472	2.544	40	5		IFBBRN
CCCc1ccc(OCCNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000224059376	568889464	/nfs/dbraw/zinc/88/94/64/568889464.db2.gz	PGYWCCUMBRKFSZ-UHFFFAOYSA-N	0	0	449.529	2.817	40	5		IFBBRN
O=C(Cc1ccccc1[N+](=O)[O-])NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000224358039	568923263	/nfs/dbraw/zinc/92/32/63/568923263.db2.gz	IVKYBCRDPRSYGL-UHFFFAOYSA-N	0	0	447.513	2.507	40	5		IFBBRN
CCOC(=O)C1=C(N)O[C@H]2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000016682556	568937628	/nfs/dbraw/zinc/93/76/28/568937628.db2.gz	XJJJMFWPPXFHSX-JYJNAYRXSA-N	0	0	433.417	2.724	40	5		IFBBRN
Cc1ccc(-c2nnc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)s2)cc1	ZINC000224599211	568940975	/nfs/dbraw/zinc/94/09/75/568940975.db2.gz	PDOJMQARXCJYTA-UHFFFAOYSA-N	0	0	447.498	2.826	40	5		IFBBRN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(F)cc3)N3CCC[C@@H]23)C1O	ZINC000036322414	569000700	/nfs/dbraw/zinc/00/07/00/569000700.db2.gz	WIQMGZPVMIKVIS-HAGHYFMRSA-N	0	0	437.427	2.877	40	5		IFBBRN
COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000139090674	569138392	/nfs/dbraw/zinc/13/83/92/569138392.db2.gz	NJSOZMGWMSOBLK-LBPRGKRZSA-N	0	0	447.831	2.792	40	5		IFBBRN
CCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)N2N1	ZINC000588228277	569145538	/nfs/dbraw/zinc/14/55/38/569145538.db2.gz	IMOYDOJEPKSUPN-SFHVURJKSA-N	0	0	443.916	2.925	40	5		IFBBRN
Cc1cc(C)c(O)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1	ZINC000017096902	569172404	/nfs/dbraw/zinc/17/24/04/569172404.db2.gz	FIWGDTJEIQUQQQ-UHFFFAOYSA-N	0	0	430.486	2.881	40	5		IFBBRN
CC(=O)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	ZINC000017095791	569172524	/nfs/dbraw/zinc/17/25/24/569172524.db2.gz	OSWZMOUKUDHNOV-UHFFFAOYSA-N	0	0	428.470	2.761	40	5		IFBBRN
CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000017097509	569172587	/nfs/dbraw/zinc/17/25/87/569172587.db2.gz	YTCFZLNZZXCLRC-UHFFFAOYSA-N	0	0	431.499	2.945	40	5		IFBBRN
CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000017097508	569172831	/nfs/dbraw/zinc/17/28/31/569172831.db2.gz	NWTSSQHASOTQHQ-UHFFFAOYSA-N	0	0	431.499	2.945	40	5		IFBBRN
O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000017096828	569173070	/nfs/dbraw/zinc/17/30/70/569173070.db2.gz	GDRCTDHNSMQIPM-UHFFFAOYSA-N	0	0	430.446	2.735	40	5		IFBBRN
COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000224817633	569187716	/nfs/dbraw/zinc/18/77/16/569187716.db2.gz	IMEAUPJLNFGTSC-UHFFFAOYSA-N	0	0	444.849	2.634	40	5		IFBBRN
Cc1c(N(CCCC(=O)NCCOc2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000224860863	569190278	/nfs/dbraw/zinc/19/02/78/569190278.db2.gz	FEEUZLYKHPKQPX-UHFFFAOYSA-N	0	0	435.502	2.645	40	5		IFBBRN
C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000224930443	569192482	/nfs/dbraw/zinc/19/24/82/569192482.db2.gz	LCMZURXWBRABHZ-OAHLLOKOSA-N	0	0	432.502	2.988	40	5		IFBBRN
COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225041035	569215065	/nfs/dbraw/zinc/21/50/65/569215065.db2.gz	GRHWBALMUYOACQ-UHFFFAOYSA-N	0	0	429.794	2.525	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1	ZINC000010127295	569221471	/nfs/dbraw/zinc/22/14/71/569221471.db2.gz	DZGGEKGCXCXKDB-NSHDSACASA-N	0	0	442.291	2.971	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSC1CCCCC1)S(C)(=O)=O	ZINC000010368181	569223940	/nfs/dbraw/zinc/22/39/40/569223940.db2.gz	VLISFRLOCOGHHH-UHFFFAOYSA-N	0	0	429.564	2.851	40	5		IFBBRN
COc1ccc(C(O)=C2[C@@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1	ZINC000008915360	569292350	/nfs/dbraw/zinc/29/23/50/569292350.db2.gz	KBQZNKGWZLRXRM-IIDMSEBBSA-N	0	0	439.346	2.707	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3N=CC=C[C@@H]23)C1O	ZINC000009359647	569295850	/nfs/dbraw/zinc/29/58/50/569295850.db2.gz	ALIPBAZNQJSQLD-FFGOWVMKSA-N	0	0	430.420	2.500	40	5		IFBBRN
COc1cc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-]	ZINC000225473131	569303577	/nfs/dbraw/zinc/30/35/77/569303577.db2.gz	SKMMZHHVSKKBEI-MRXNPFEDSA-N	0	0	429.473	2.924	40	5		IFBBRN
CC[C@H](C(=O)NCCN(C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000260507385	569306911	/nfs/dbraw/zinc/30/69/11/569306911.db2.gz	KSTVSILCDNAZIK-LJQANCHMSA-N	0	0	448.545	2.700	40	5		IFBBRN
O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000013304903	569312779	/nfs/dbraw/zinc/31/27/79/569312779.db2.gz	ZKGCGWWWGXLYKC-UHFFFAOYSA-N	0	0	425.850	2.521	40	5		IFBBRN
O=[N+]([O-])c1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCO)n2)cc1	ZINC000329002907	569321699	/nfs/dbraw/zinc/32/16/99/569321699.db2.gz	KKQRWQJKISJGCJ-UHFFFAOYSA-N	0	0	449.389	2.811	40	5		IFBBRN
CCSc1nnc(NC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1	ZINC000225836203	569409307	/nfs/dbraw/zinc/40/93/07/569409307.db2.gz	RAPSNHATLXHAFT-LBPRGKRZSA-N	0	0	445.548	2.742	40	5		IFBBRN
COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000225857184	569409367	/nfs/dbraw/zinc/40/93/67/569409367.db2.gz	CODKCKWGFGDKIO-HUUCEWRRSA-N	0	0	435.502	2.944	40	5		IFBBRN
Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)O2	ZINC000030945853	569451331	/nfs/dbraw/zinc/45/13/31/569451331.db2.gz	AZTSRBOOPNPEDX-INIZCTEOSA-N	0	0	425.850	2.722	40	5		IFBBRN
O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccc2c(c1)OCO2	ZINC000032126433	569460362	/nfs/dbraw/zinc/46/03/62/569460362.db2.gz	FLAYTLYXJVPZSF-UHFFFAOYSA-N	0	0	448.888	2.814	40	5		IFBBRN
C[C@@H]1CCC[C@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000038828428	569469132	/nfs/dbraw/zinc/46/91/32/569469132.db2.gz	LCOBDVHVBIWIHU-ZOWXZIJZSA-N	0	0	440.460	2.510	40	5		IFBBRN
CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000020802074	521093764	/nfs/dbraw/zinc/09/37/64/521093764.db2.gz	ZYBSJQKINYWSSO-OALUTQOASA-N	0	0	438.440	2.706	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1ccc(C)cc1C)S(C)(=O)=O	ZINC000022367487	525466472	/nfs/dbraw/zinc/46/64/72/525466472.db2.gz	AQEIDZISIFSLMV-OAHLLOKOSA-N	0	0	435.502	2.864	40	5		IFBBRN
O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1	ZINC000020451938	527388193	/nfs/dbraw/zinc/38/81/93/527388193.db2.gz	OZSVAYHWVVYMKV-UHFFFAOYSA-N	0	0	448.482	2.733	40	5		IFBBRN
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1	ZINC000020508237	527404152	/nfs/dbraw/zinc/40/41/52/527404152.db2.gz	MYXRIWIEDFZKQS-UHFFFAOYSA-N	0	0	440.319	2.864	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1c3ccccc3C=CN1[C@@H]2C(C)=O	ZINC000009333958	555557071	/nfs/dbraw/zinc/55/70/71/555557071.db2.gz	UPBYRKFPAKVBFS-UWHLTILDSA-N	0	0	433.420	2.708	40	5		IFBBRN
CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O	ZINC000408656706	556613692	/nfs/dbraw/zinc/61/36/92/556613692.db2.gz	IVIAWYUCGOOZOG-OAHLLOKOSA-N	0	0	441.440	2.837	40	5		IFBBRN
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000408701809	556617743	/nfs/dbraw/zinc/61/77/43/556617743.db2.gz	GBRIPVCPCJNJIX-UHFFFAOYSA-N	0	0	439.877	2.830	40	5		IFBBRN
CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccccc3)sc2=N[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000408730254	556618286	/nfs/dbraw/zinc/61/82/86/556618286.db2.gz	GIFGSWWBHQHCOM-LVSKKATPSA-N	0	0	449.488	2.815	40	5		IFBBRN
COc1cc(OCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)ccc1[N+](=O)[O-]	ZINC000061237466	556619392	/nfs/dbraw/zinc/61/93/92/556619392.db2.gz	MGTCOSHBQSBSBR-UHFFFAOYSA-N	0	0	436.424	2.946	40	5		IFBBRN
Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000033676473	556620272	/nfs/dbraw/zinc/62/02/72/556620272.db2.gz	KXONZDYINQEQJK-FVJVTNMWSA-N	0	0	446.463	2.643	40	5		IFBBRN
CO[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CO1	ZINC000005049007	556626416	/nfs/dbraw/zinc/62/64/16/556626416.db2.gz	DWYWYUISCFNJMR-KZNAEPCWSA-N	0	0	446.368	2.647	40	5		IFBBRN
CO[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CO1	ZINC000005049005	556626456	/nfs/dbraw/zinc/62/64/56/556626456.db2.gz	DWYWYUISCFNJMR-KURKYZTESA-N	0	0	446.368	2.647	40	5		IFBBRN
Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1C	ZINC000409054402	556629315	/nfs/dbraw/zinc/62/93/15/556629315.db2.gz	JLYQAZBCYUXARO-UHFFFAOYSA-N	0	0	440.485	2.693	40	5		IFBBRN
O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCO2	ZINC000409159309	556631345	/nfs/dbraw/zinc/63/13/45/556631345.db2.gz	SMGMIJJZWXAPOK-FRKPEAEDSA-N	0	0	427.394	2.999	40	5		IFBBRN
COCc1n[nH]c(-n2ccc3nc4ccn(-c5cccc(Cl)c5)c(=O)c4cc3c2=O)n1	ZINC000040398969	556641204	/nfs/dbraw/zinc/64/12/04/556641204.db2.gz	SUJRMCYAMSNGTA-UHFFFAOYSA-N	0	0	434.843	2.608	40	5		IFBBRN
Cc1c(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000220026096	556644986	/nfs/dbraw/zinc/64/49/86/556644986.db2.gz	LIMOVRWLEVLUDO-UHFFFAOYSA-N	0	0	437.543	2.719	40	5		IFBBRN
CCOc1ccccc1CCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000013613351	556702159	/nfs/dbraw/zinc/70/21/59/556702159.db2.gz	RGUCODNWVNPTTJ-UHFFFAOYSA-N	0	0	435.502	2.509	40	5		IFBBRN
CCOC(=O)c1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1	ZINC000013668836	556709879	/nfs/dbraw/zinc/70/98/79/556709879.db2.gz	PEZZTMYOVUQHGH-UHFFFAOYSA-N	0	0	449.485	2.793	40	5		IFBBRN
COC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c1	ZINC000409130175	556967537	/nfs/dbraw/zinc/96/75/37/556967537.db2.gz	LYQPYUGCZRLOHT-UHFFFAOYSA-N	0	0	427.442	2.908	40	5		IFBBRN
CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000409162012	556980932	/nfs/dbraw/zinc/98/09/32/556980932.db2.gz	BVAHGCHEAORTIS-UHFFFAOYSA-N	0	0	440.485	2.867	40	5		IFBBRN
CC1CCN(C(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)CC1	ZINC000409347987	557076283	/nfs/dbraw/zinc/07/62/83/557076283.db2.gz	OCJKDHRVVRTCIA-APSNUPSMSA-N	0	0	433.442	2.618	40	5		IFBBRN
COc1ccc(CN(C)C(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000220377671	557125539	/nfs/dbraw/zinc/12/55/39/557125539.db2.gz	YIINEBYBHRSBRZ-OAHLLOKOSA-N	0	0	435.502	2.725	40	5		IFBBRN
CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1	ZINC000021094847	557133408	/nfs/dbraw/zinc/13/34/08/557133408.db2.gz	URDBYQVFNCBZCU-AWEZNQCLSA-N	0	0	427.413	2.528	40	5		IFBBRN
COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1C	ZINC000220389096	557134456	/nfs/dbraw/zinc/13/44/56/557134456.db2.gz	YTOKIKXLENMXMO-CQSZACIVSA-N	0	0	449.485	2.791	40	5		IFBBRN
Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220422782	557154428	/nfs/dbraw/zinc/15/44/28/557154428.db2.gz	YALUAKKRCDMBFY-HZPDHXFCSA-N	0	0	435.502	2.641	40	5		IFBBRN
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@@H]2c1ccc(F)cc1	ZINC000100835130	557189860	/nfs/dbraw/zinc/18/98/60/557189860.db2.gz	TTXAYVNAUGHDQE-KURKYZTESA-N	0	0	430.823	2.923	40	5		IFBBRN
CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccccc1F)S(C)(=O)=O	ZINC000220594984	557353034	/nfs/dbraw/zinc/35/30/34/557353034.db2.gz	OWYZIKQOGGKOGW-HNNXBMFYSA-N	0	0	425.438	2.926	40	5		IFBBRN
CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cccc(OC)c1)S(C)(=O)=O	ZINC000220620856	557354605	/nfs/dbraw/zinc/35/46/05/557354605.db2.gz	MIFIPYANPWDQQQ-QGZVFWFLSA-N	0	0	437.474	2.795	40	5		IFBBRN
CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O	ZINC000220647146	557361560	/nfs/dbraw/zinc/36/15/60/557361560.db2.gz	ZTHDHSKIQAWPIK-KRWDZBQOSA-N	0	0	437.474	2.795	40	5		IFBBRN
CC(=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(=NNC(N)=S)c2ccccc2o1	ZINC000102979545	557414458	/nfs/dbraw/zinc/41/44/58/557414458.db2.gz	HXNDNUNHSNUWDD-KGENOOAVSA-N	0	0	426.414	2.981	40	5		IFBBRN
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1	ZINC000408550479	557415809	/nfs/dbraw/zinc/41/58/09/557415809.db2.gz	CTWUMJASKFFBBU-CQSZACIVSA-N	0	0	449.485	2.651	40	5		IFBBRN
COC(=O)CN1C(=O)N/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O	ZINC000408548561	557415873	/nfs/dbraw/zinc/41/58/73/557415873.db2.gz	ISRRPSXECRKQJE-VCHYOVAHSA-N	0	0	434.408	2.664	40	5		IFBBRN
CCOC(=O)c1ccc(N2CCN(C(=O)COc3cccc(C)c3)CC2)c([N+](=O)[O-])c1	ZINC000408573057	557419522	/nfs/dbraw/zinc/41/95/22/557419522.db2.gz	LLMLVGZVKIIVHO-UHFFFAOYSA-N	0	0	427.457	2.808	40	5		IFBBRN
CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000408662589	557426591	/nfs/dbraw/zinc/42/65/91/557426591.db2.gz	KHSUIHHMNVNGLH-UHFFFAOYSA-N	0	0	443.412	2.672	40	5		IFBBRN
CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1	ZINC000408668482	557426903	/nfs/dbraw/zinc/42/69/03/557426903.db2.gz	LSYQAJYRNOWCRD-HNNXBMFYSA-N	0	0	441.440	2.837	40	5		IFBBRN
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1[N+](=O)[O-]	ZINC000408662303	557427698	/nfs/dbraw/zinc/42/76/98/557427698.db2.gz	XSHUEGICORLHBB-AWEZNQCLSA-N	0	0	427.369	2.590	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)ccc2C)CC1=O	ZINC000408664649	557427762	/nfs/dbraw/zinc/42/77/62/557427762.db2.gz	CUDDFQWVRGDUGW-HNNXBMFYSA-N	0	0	441.440	2.755	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000014269622	557428898	/nfs/dbraw/zinc/42/88/98/557428898.db2.gz	IGAMQXFFAHZYOT-UHFFFAOYSA-N	0	0	445.457	2.775	40	5		IFBBRN
CCc1ccc(CC)c(CNC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1	ZINC000225869543	557787225	/nfs/dbraw/zinc/78/72/25/557787225.db2.gz	QVLSAXZGDHOLMG-UHFFFAOYSA-N	0	0	449.529	2.811	40	5		IFBBRN
Cc1ccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000222365900	568638326	/nfs/dbraw/zinc/63/83/26/568638326.db2.gz	JIVQPPRZTHXTTB-UHFFFAOYSA-N	0	0	435.502	2.645	40	5		IFBBRN
CC[C@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222512647	568649861	/nfs/dbraw/zinc/64/98/61/568649861.db2.gz	FNCVEMQWFIKGIZ-LJQANCHMSA-N	0	0	435.502	2.807	40	5		IFBBRN
CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222523121	568650277	/nfs/dbraw/zinc/65/02/77/568650277.db2.gz	DZHNVJJWWOQDLA-SFHVURJKSA-N	0	0	449.485	2.873	40	5		IFBBRN
CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222523535	568650293	/nfs/dbraw/zinc/65/02/93/568650293.db2.gz	PFJGNAVUMHLLGP-KRWDZBQOSA-N	0	0	436.446	2.995	40	5		IFBBRN
CCOc1cccc(CNC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000222528391	568650517	/nfs/dbraw/zinc/65/05/17/568650517.db2.gz	YHYNLXWZUFBFLU-IBGZPJMESA-N	0	0	435.502	2.855	40	5		IFBBRN
CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222535203	568651685	/nfs/dbraw/zinc/65/16/85/568651685.db2.gz	ZBIUPEJQCYRQEX-HNNXBMFYSA-N	0	0	435.458	2.815	40	5		IFBBRN
CS(=O)(=O)N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2	ZINC000222671548	568657044	/nfs/dbraw/zinc/65/70/44/568657044.db2.gz	BLZVSGCICNMPQJ-UHFFFAOYSA-N	0	0	435.458	2.551	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O	ZINC000222768504	568660184	/nfs/dbraw/zinc/66/01/84/568660184.db2.gz	AJFOCNRBVBUKFP-UHFFFAOYSA-N	0	0	443.481	2.839	40	5		IFBBRN
CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000222827558	568663437	/nfs/dbraw/zinc/66/34/37/568663437.db2.gz	OOXSHMIPFGMSPT-HNNXBMFYSA-N	0	0	431.514	3.000	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccc2ccccc21)S(C)(=O)=O	ZINC000222847094	568696762	/nfs/dbraw/zinc/69/67/62/568696762.db2.gz	HMOSYPXZBDVREO-UHFFFAOYSA-N	0	0	443.481	2.839	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1[C@@H]1N(C(C)=O)c2ccccc2-c2c(=O)[n-]c(SC)n[n+]21	ZINC000261364702	568733373	/nfs/dbraw/zinc/73/33/73/568733373.db2.gz	NAXCDMBOCCBOEI-LJQANCHMSA-O	0	0	440.461	2.689	40	5		IFBBRN
O=C(c1ccccc1)[C@H]([C@@H](c1cccc([N+](=O)[O-])c1)N1CCOCC1)N1CCOCC1	ZINC000031613446	568741076	/nfs/dbraw/zinc/74/10/76/568741076.db2.gz	UCZZLGBQZYHCMY-YADHBBJMSA-N	0	0	425.485	2.552	40	5		IFBBRN
CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223006449	568775251	/nfs/dbraw/zinc/77/52/51/568775251.db2.gz	MUAFQVRRBUSOLZ-SFHVURJKSA-N	0	0	429.473	2.844	40	5		IFBBRN
CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223410619	568826338	/nfs/dbraw/zinc/82/63/38/568826338.db2.gz	KAMTWKRNPREVMG-GOSISDBHSA-N	0	0	445.472	2.544	40	5		IFBBRN
CS(=O)(=O)N(CC(=O)NCCOc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1	ZINC000223596593	568875696	/nfs/dbraw/zinc/87/56/96/568875696.db2.gz	YGYATWNVDHOTNF-UHFFFAOYSA-N	0	0	443.481	2.709	40	5		IFBBRN
CC(C)(C)c1ccccc1OCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000223683751	568876389	/nfs/dbraw/zinc/87/63/89/568876389.db2.gz	GXLKDEACDSVNPM-UHFFFAOYSA-N	0	0	449.529	2.854	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O	ZINC000223772092	568877261	/nfs/dbraw/zinc/87/72/61/568877261.db2.gz	HCRXPXWSSQGBPN-UHFFFAOYSA-N	0	0	449.529	2.988	40	5		IFBBRN
CC[C@@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000224103019	568905321	/nfs/dbraw/zinc/90/53/21/568905321.db2.gz	NJQANAUKIYVRCA-FQEVSTJZSA-N	0	0	449.529	2.951	40	5		IFBBRN
CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)c(C)c1	ZINC000224100104	568905483	/nfs/dbraw/zinc/90/54/83/568905483.db2.gz	ZOEQDVMPMQSLKQ-SFHVURJKSA-N	0	0	435.502	2.945	40	5		IFBBRN
CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)c(C)c1	ZINC000224100043	568905501	/nfs/dbraw/zinc/90/55/01/568905501.db2.gz	ZOEQDVMPMQSLKQ-GOSISDBHSA-N	0	0	435.502	2.945	40	5		IFBBRN
CCOC(=O)c1cc(C(=O)N2N=C(c3cccc([N+](=O)[O-])c3)SCC2=O)c(C)nc1C	ZINC000016758356	569161287	/nfs/dbraw/zinc/16/12/87/569161287.db2.gz	NOZCKDCEYOTMOF-UHFFFAOYSA-N	0	0	442.453	2.861	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCC1=CCCCC1)S(C)(=O)=O	ZINC000224830824	569189035	/nfs/dbraw/zinc/18/90/35/569189035.db2.gz	HOQMSYKVXWPTIA-UHFFFAOYSA-N	0	0	425.507	2.766	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOCc1ccccc1)S(C)(=O)=O	ZINC000224854448	569190051	/nfs/dbraw/zinc/19/00/51/569190051.db2.gz	RDZWOEYYMFWMAG-UHFFFAOYSA-N	0	0	449.529	2.782	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(N2CCCC2)cc1)S(C)(=O)=O	ZINC000224914381	569191481	/nfs/dbraw/zinc/19/14/81/569191481.db2.gz	PAHPBPBWLDUZBY-UHFFFAOYSA-N	0	0	432.502	2.908	40	5		IFBBRN
CCOC(=O)CN(c1ccccc1C(=O)OCC)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225000871	569212396	/nfs/dbraw/zinc/21/23/96/569212396.db2.gz	UJKRZBZSNRLRQG-UHFFFAOYSA-N	0	0	436.442	2.530	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1	ZINC000010127292	569221477	/nfs/dbraw/zinc/22/14/77/569221477.db2.gz	DZGGEKGCXCXKDB-LLVKDONJSA-N	0	0	442.291	2.971	40	5		IFBBRN
CCOc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N3)cc1	ZINC000010295806	569222189	/nfs/dbraw/zinc/22/21/89/569222189.db2.gz	KDNVGPBXRSKJOW-SFHVURJKSA-N	0	0	432.400	2.837	40	5		IFBBRN
Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-]	ZINC000010317742	569222933	/nfs/dbraw/zinc/22/29/33/569222933.db2.gz	SRMCOKGLZRDYFG-UHFFFAOYSA-N	0	0	440.861	2.902	40	5		IFBBRN
CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1	ZINC000021094852	569241479	/nfs/dbraw/zinc/24/14/79/569241479.db2.gz	URDBYQVFNCBZCU-CQSZACIVSA-N	0	0	427.413	2.528	40	5		IFBBRN
CS(=O)(=O)N1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc21	ZINC000030945864	569243474	/nfs/dbraw/zinc/24/34/74/569243474.db2.gz	ATHKUILVTAYZPM-MRXNPFEDSA-N	0	0	425.850	2.804	40	5		IFBBRN
CCCCCC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	ZINC000033403991	569243876	/nfs/dbraw/zinc/24/38/76/569243876.db2.gz	HJHFGMLTIKVOSB-UHFFFAOYSA-N	0	0	449.577	2.535	40	5		IFBBRN
Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@H]34)C2O)cc1	ZINC000009329958	569295693	/nfs/dbraw/zinc/29/56/93/569295693.db2.gz	NATSYMZBJWSXHG-WTGUMLROSA-N	0	0	430.420	2.500	40	5		IFBBRN
O=C(COc1ccccc1)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1	ZINC000009355135	569295732	/nfs/dbraw/zinc/29/57/32/569295732.db2.gz	BLJZNHJDOZJRFA-UHFFFAOYSA-N	0	0	434.905	2.850	40	5		IFBBRN
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1	ZINC000010008495	569299063	/nfs/dbraw/zinc/29/90/63/569299063.db2.gz	GCAQVUAHJNLYSQ-AWEZNQCLSA-N	0	0	449.485	2.651	40	5		IFBBRN
CCOC(=O)c1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1C	ZINC000010443583	569300109	/nfs/dbraw/zinc/30/01/09/569300109.db2.gz	XOMQGXCNKAHFGW-UHFFFAOYSA-N	0	0	449.485	2.793	40	5		IFBBRN
CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccc3c(c2)OCO3)N[C@@H](c2ccc3c(c2)OCO3)[C@@H]1[N+](=O)[O-]	ZINC000013382117	569315209	/nfs/dbraw/zinc/31/52/09/569315209.db2.gz	KOGKQDDNBIWGRO-MUGJNUQGSA-N	0	0	443.412	2.846	40	5		IFBBRN
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1	ZINC000019160990	569316409	/nfs/dbraw/zinc/31/64/09/569316409.db2.gz	PXQRJRFEYPPEHK-UHFFFAOYSA-N	0	0	433.486	2.951	40	5		IFBBRN
CC[C@@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccc(C)cc1	ZINC000020105326	569333989	/nfs/dbraw/zinc/33/39/89/569333989.db2.gz	SUAQZGPXXCKLTJ-QGZVFWFLSA-N	0	0	435.502	2.945	40	5		IFBBRN
C[C@@H]1CCC[C@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000038828490	569469086	/nfs/dbraw/zinc/46/90/86/569469086.db2.gz	VAFJVBLMCARFIL-ZOWXZIJZSA-N	0	0	440.460	2.510	40	5		IFBBRN
O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21	ZINC000040399722	569501151	/nfs/dbraw/zinc/50/11/51/569501151.db2.gz	QJLIKTVTLWPWJB-LBPRGKRZSA-N	0	0	438.375	2.625	40	5		IFBBRN
CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccc(Br)cc1	ZINC000408604780	193974176	/nfs/dbraw/zinc/97/41/76/193974176.db2.gz	FVOCJTXQVKWXEE-UHFFFAOYSA-N	0	0	442.291	2.758	40	5		IFBBRN
CC1(C)C[C@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc2O1	ZINC000022347971	520547206	/nfs/dbraw/zinc/54/72/06/520547206.db2.gz	GIZMVXXYIYCDLG-KRWDZBQOSA-N	0	0	433.486	2.779	40	5		IFBBRN
COc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@H]5ON=C(c6ccc([N+](=O)[O-])cc6)[C@@H]54)[C@@H]3C2=O)cc1	ZINC000033821738	524397962	/nfs/dbraw/zinc/39/79/62/524397962.db2.gz	KDZGOUZYBVKMTF-FBGLYXIBSA-N	0	0	433.420	2.778	40	5		IFBBRN
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl	ZINC000016250176	525002095	/nfs/dbraw/zinc/00/20/95/525002095.db2.gz	NQDBKYCZZUYIFH-UHFFFAOYSA-N	0	0	427.866	2.824	40	5		IFBBRN
C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@H]1C	ZINC000032945171	525886904	/nfs/dbraw/zinc/88/69/04/525886904.db2.gz	IYXQKNVLLSQGHI-JMSVASOKSA-N	0	0	425.869	2.605	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1	ZINC000408657776	556613894	/nfs/dbraw/zinc/61/38/94/556613894.db2.gz	PJGWNLZMJHCEOH-HNNXBMFYSA-N	0	0	441.440	2.755	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(C)c2C)CC1=O	ZINC000408672390	556615123	/nfs/dbraw/zinc/61/51/23/556615123.db2.gz	WGXDEYMQFKMHBV-OAHLLOKOSA-N	0	0	441.440	2.755	40	5		IFBBRN
CNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000409132786	556631140	/nfs/dbraw/zinc/63/11/40/556631140.db2.gz	KAMRWTHPMUDZBH-UHFFFAOYSA-N	0	0	427.866	2.507	40	5		IFBBRN
CCSc1n[nH]c(-n2ccc3nc4ccn(-c5cccc(OC)c5)c(=O)c4cc3c2=O)n1	ZINC000040398940	556641177	/nfs/dbraw/zinc/64/11/77/556641177.db2.gz	MGTBAHUELFCVJX-UHFFFAOYSA-N	0	0	446.492	2.929	40	5		IFBBRN
COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000013580770	556699005	/nfs/dbraw/zinc/69/90/05/556699005.db2.gz	WEDJOWSZCCQIGY-ZDUSSCGKSA-N	0	0	437.449	2.782	40	5		IFBBRN
Cc1ccccc1OC[C@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O	ZINC000220037089	556810493	/nfs/dbraw/zinc/81/04/93/556810493.db2.gz	FGRMLHZIPIHZJT-HNNXBMFYSA-N	0	0	435.502	2.561	40	5		IFBBRN
C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@@H]1C	ZINC000032945172	556916287	/nfs/dbraw/zinc/91/62/87/556916287.db2.gz	IYXQKNVLLSQGHI-ZOWXZIJZSA-N	0	0	425.869	2.605	40	5		IFBBRN
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccccc3[N+](=O)[O-])sc2=N1	ZINC000409041718	556929464	/nfs/dbraw/zinc/92/94/64/556929464.db2.gz	JIDCFKFISKPEAI-LVSKKATPSA-N	0	0	449.488	2.707	40	5		IFBBRN
CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O	ZINC000409203440	557002378	/nfs/dbraw/zinc/00/23/78/557002378.db2.gz	XCXIDFGNWSCPOH-MFVBVHDHSA-N	0	0	449.485	2.809	40	5		IFBBRN
COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	ZINC000220216093	557012033	/nfs/dbraw/zinc/01/20/33/557012033.db2.gz	HFRVQEOUYKRLNF-ZDUSSCGKSA-N	0	0	437.474	2.714	40	5		IFBBRN
COc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1OC	ZINC000220235674	557019695	/nfs/dbraw/zinc/01/96/95/557019695.db2.gz	ZSCBFDQCBUVXCQ-CYBMUJFWSA-N	0	0	437.474	2.714	40	5		IFBBRN
COc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1OC	ZINC000220235356	557019805	/nfs/dbraw/zinc/01/98/05/557019805.db2.gz	XFWGHMCGHOLRDF-CYBMUJFWSA-N	0	0	437.474	2.714	40	5		IFBBRN
Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1	ZINC000409349411	557077536	/nfs/dbraw/zinc/07/75/36/557077536.db2.gz	PSLHKYFGTNQLGB-UHFFFAOYSA-N	0	0	440.485	2.693	40	5		IFBBRN
CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000220380838	557133885	/nfs/dbraw/zinc/13/38/85/557133885.db2.gz	YBBZTRAKZQEBJY-AWEZNQCLSA-N	0	0	449.485	2.873	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCSc1ccccc1)S(C)(=O)=O	ZINC000220383388	557133961	/nfs/dbraw/zinc/13/39/61/557133961.db2.gz	NDHLVDNGTWALAE-HNNXBMFYSA-N	0	0	437.543	2.966	40	5		IFBBRN
COc1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(OC)c1	ZINC000220381234	557133963	/nfs/dbraw/zinc/13/39/63/557133963.db2.gz	QBLARYSPKYGDFY-CYBMUJFWSA-N	0	0	437.474	2.714	40	5		IFBBRN
CCOc1ccc(CNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000220394295	557135492	/nfs/dbraw/zinc/13/54/92/557135492.db2.gz	DCKACBSWHXEXTA-HNNXBMFYSA-N	0	0	435.502	2.773	40	5		IFBBRN
CCOC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220401836	557143473	/nfs/dbraw/zinc/14/34/73/557143473.db2.gz	PDIOPNYLUMOCMX-CYBMUJFWSA-N	0	0	435.458	2.565	40	5		IFBBRN
C[C@@H](C(=O)NCCSCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220404575	557143733	/nfs/dbraw/zinc/14/37/33/557143733.db2.gz	TZFCFWGZDMIDGE-HNNXBMFYSA-N	0	0	437.543	2.799	40	5		IFBBRN
CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000220418102	557149834	/nfs/dbraw/zinc/14/98/34/557149834.db2.gz	WMHCMQXCALYDGW-AWEZNQCLSA-N	0	0	449.485	2.873	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O	ZINC000220451666	557155762	/nfs/dbraw/zinc/15/57/62/557155762.db2.gz	NOOIWGYQWCJIRB-SNVBAGLBSA-N	0	0	429.401	2.675	40	5		IFBBRN
Cc1ccc(Cn2ccsc2=NC(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1	ZINC000101267800	557265435	/nfs/dbraw/zinc/26/54/35/557265435.db2.gz	ITGUIJHAQZXZRC-LSDHQDQOSA-N	0	0	426.454	2.681	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O	ZINC000220397737	557294103	/nfs/dbraw/zinc/29/41/03/557294103.db2.gz	QWJQFEBAMDGDBG-KRWDZBQOSA-N	0	0	448.545	2.700	40	5		IFBBRN
COc1ccccc1N1CCN(CC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1	ZINC000032117942	557303083	/nfs/dbraw/zinc/30/30/83/557303083.db2.gz	IRFHXJLPMQVAKT-UHFFFAOYSA-N	0	0	427.486	2.974	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21	ZINC000014137315	557309445	/nfs/dbraw/zinc/30/94/45/557309445.db2.gz	MGOXIHLUPHETAN-UHFFFAOYSA-N	0	0	434.202	2.534	40	5		IFBBRN
CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)CC1	ZINC000014271695	557331997	/nfs/dbraw/zinc/33/19/97/557331997.db2.gz	ZLPIGWLXHOMWAC-UHFFFAOYSA-N	0	0	441.513	2.699	40	5		IFBBRN
CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1	ZINC000014271693	557332377	/nfs/dbraw/zinc/33/23/77/557332377.db2.gz	CEJDQLIWVANNJG-UHFFFAOYSA-N	0	0	441.513	2.699	40	5		IFBBRN
CC(C)OCCCNC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1	ZINC000014411619	557337249	/nfs/dbraw/zinc/33/72/49/557337249.db2.gz	SNCTZAKXMDCBET-UHFFFAOYSA-N	0	0	435.502	2.721	40	5		IFBBRN
COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1Br	ZINC000408567800	557417136	/nfs/dbraw/zinc/41/71/36/557417136.db2.gz	RJAJBISPEUTTND-OYYNGEPBSA-N	0	0	432.274	2.980	40	5		IFBBRN
CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000408571455	557419042	/nfs/dbraw/zinc/41/90/42/557419042.db2.gz	BQDHFXKIDHMCFC-UHFFFAOYSA-N	0	0	428.401	2.642	40	5		IFBBRN
CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c([N+](=O)[O-])c1	ZINC000408573800	557419504	/nfs/dbraw/zinc/41/95/04/557419504.db2.gz	OISSFOUQQIULAD-UHFFFAOYSA-N	0	0	443.456	2.751	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21	ZINC000408582997	557420465	/nfs/dbraw/zinc/42/04/65/557420465.db2.gz	QNXIEHUYPIVZKY-UHFFFAOYSA-N	0	0	434.202	2.534	40	5		IFBBRN
COc1cc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(OC)cc1Cl	ZINC000408601527	557420794	/nfs/dbraw/zinc/42/07/94/557420794.db2.gz	AHQXJAOCCJLQIK-UHFFFAOYSA-N	0	0	443.865	2.670	40	5		IFBBRN
CO[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1	ZINC000004974942	557420798	/nfs/dbraw/zinc/42/07/98/557420798.db2.gz	NGKKKFKTIZCIEN-OKZBNKHCSA-N	0	0	446.368	2.647	40	5		IFBBRN
CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1	ZINC000408639933	557424137	/nfs/dbraw/zinc/42/41/37/557424137.db2.gz	HNTVVINOPCWMOI-AWEZNQCLSA-N	0	0	427.413	2.772	40	5		IFBBRN
CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])CC1=O	ZINC000408646574	557425098	/nfs/dbraw/zinc/42/50/98/557425098.db2.gz	PZSAORBVCUWOAF-OAHLLOKOSA-N	0	0	441.440	2.701	40	5		IFBBRN
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)cc1[N+](=O)[O-]	ZINC000408665557	557426318	/nfs/dbraw/zinc/42/63/18/557426318.db2.gz	FVRFIDNTKNMNGV-WBVHZDCISA-N	0	0	425.441	2.677	40	5		IFBBRN
COc1ccc(OC)c(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000408661686	557427126	/nfs/dbraw/zinc/42/71/26/557427126.db2.gz	GXDOKYQJKGZEJH-UHFFFAOYSA-N	0	0	445.428	2.903	40	5		IFBBRN
CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])cc1	ZINC000408662520	557427398	/nfs/dbraw/zinc/42/73/98/557427398.db2.gz	JIJCOPXRFUHCNQ-UHFFFAOYSA-N	0	0	445.428	2.903	40	5		IFBBRN
Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1C	ZINC000408666218	557427441	/nfs/dbraw/zinc/42/74/41/557427441.db2.gz	GUFLOFBVTHNJNJ-UHFFFAOYSA-N	0	0	434.470	2.866	40	5		IFBBRN
COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000408664732	557427670	/nfs/dbraw/zinc/42/76/70/557427670.db2.gz	JRWRYFQSYFCUAY-UHFFFAOYSA-N	0	0	443.412	2.672	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)cc2C)CC1=O	ZINC000408665467	557427896	/nfs/dbraw/zinc/42/78/96/557427896.db2.gz	FKWLMJFYSMUUJL-HNNXBMFYSA-N	0	0	441.440	2.755	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(C)(=O)=O	ZINC000044902109	557540143	/nfs/dbraw/zinc/54/01/43/557540143.db2.gz	LBSGLOSTJGFWHH-UHFFFAOYSA-N	0	0	425.894	2.981	40	5		IFBBRN
COc1cccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1	ZINC000222369516	568638448	/nfs/dbraw/zinc/63/84/48/568638448.db2.gz	XFQVQWMZKOSXTJ-UHFFFAOYSA-N	0	0	437.474	2.797	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1cccc(C(C)=O)c1)S(C)(=O)=O	ZINC000222370682	568640231	/nfs/dbraw/zinc/64/02/31/568640231.db2.gz	OJYIUPSBQMAMRA-UHFFFAOYSA-N	0	0	449.485	2.991	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1cccc(C)c1)S(C)(=O)=O	ZINC000222371191	568640243	/nfs/dbraw/zinc/64/02/43/568640243.db2.gz	QRNAERWFXXMARE-UHFFFAOYSA-N	0	0	435.502	2.774	40	5		IFBBRN
CC[C@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222516370	568649818	/nfs/dbraw/zinc/64/98/18/568649818.db2.gz	XWJLZHXKKQCIHR-MRXNPFEDSA-N	0	0	437.474	2.795	40	5		IFBBRN
CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222540261	568652107	/nfs/dbraw/zinc/65/21/07/568652107.db2.gz	RKAPRZDKUWVOIO-QGZVFWFLSA-N	0	0	449.485	2.873	40	5		IFBBRN
CC[C@@H](C(=O)Nc1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222545667	568652314	/nfs/dbraw/zinc/65/23/14/568652314.db2.gz	HEFCPUJIFSFHLS-HNNXBMFYSA-N	0	0	437.474	2.795	40	5		IFBBRN
CC[C@H](C(=O)Nc1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222545730	568652412	/nfs/dbraw/zinc/65/24/12/568652412.db2.gz	HEFCPUJIFSFHLS-OAHLLOKOSA-N	0	0	437.474	2.795	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O	ZINC000222581198	568652755	/nfs/dbraw/zinc/65/27/55/568652755.db2.gz	WLADTANUZZXWSF-UHFFFAOYSA-N	0	0	437.474	2.797	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1[C@H]1N(C(C)=O)c2ccccc2-c2c(=O)[n-]c(SC)n[n+]21	ZINC000261364701	568733526	/nfs/dbraw/zinc/73/35/26/568733526.db2.gz	NAXCDMBOCCBOEI-IBGZPJMESA-O	0	0	440.461	2.689	40	5		IFBBRN
COc1ccc(C(O)=C2[C@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1	ZINC000001464500	568819677	/nfs/dbraw/zinc/81/96/77/568819677.db2.gz	KBQZNKGWZLRXRM-RVKKMQEKSA-N	0	0	439.346	2.707	40	5		IFBBRN
CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223453647	568835760	/nfs/dbraw/zinc/83/57/60/568835760.db2.gz	HYCLMUHKPDLONL-GOSISDBHSA-N	0	0	445.472	2.544	40	5		IFBBRN
CC(C)CSc1nnc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1	ZINC000223856871	568877635	/nfs/dbraw/zinc/87/76/35/568877635.db2.gz	NVADVXDEPHVDDP-UHFFFAOYSA-N	0	0	445.548	2.599	40	5		IFBBRN
Cc1cc(C)cc(OCCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000224100670	568905475	/nfs/dbraw/zinc/90/54/75/568905475.db2.gz	VSRCAMDKDNTFOB-INIZCTEOSA-N	0	0	435.502	2.561	40	5		IFBBRN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000224275949	568916988	/nfs/dbraw/zinc/91/69/88/568916988.db2.gz	HPTKGSZNUFTXGN-IZZDOVSWSA-N	0	0	445.497	2.588	40	5		IFBBRN
COCCNC(=O)c1cc2c3ccccc3n3c2c(n1)c1ccc(OC)c(OC)c1c3=O	ZINC000008878730	568927285	/nfs/dbraw/zinc/92/72/85/568927285.db2.gz	IYIDAVQFLUKADI-UHFFFAOYSA-N	0	0	431.448	2.985	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(C)cc3)N3CCC[C@H]23)C1O	ZINC000036322323	569000615	/nfs/dbraw/zinc/00/06/15/569000615.db2.gz	XRFUZDGZJQPXTQ-DBOLQNLKSA-N	0	0	449.463	2.747	40	5		IFBBRN
CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000139109399	569138530	/nfs/dbraw/zinc/13/85/30/569138530.db2.gz	CJOBDRHFBIITQY-DZGCQCFKSA-N	0	0	440.460	2.512	40	5		IFBBRN
O=C(NC(=S)Nc1cc(Cl)ccc1O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000017100808	569173386	/nfs/dbraw/zinc/17/33/86/569173386.db2.gz	VJNWJIDRACRWIP-UHFFFAOYSA-N	0	0	436.877	2.917	40	5		IFBBRN
CCOC(=O)CN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224745782	569184656	/nfs/dbraw/zinc/18/46/56/569184656.db2.gz	GVIPYBVAYWDQAV-UHFFFAOYSA-N	0	0	436.442	2.530	40	5		IFBBRN
Cc1cccc(OCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	ZINC000224854096	569190044	/nfs/dbraw/zinc/19/00/44/569190044.db2.gz	LGOPNLWUSNJLTP-UHFFFAOYSA-N	0	0	449.529	2.953	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(N2CCCC2)cc1)S(C)(=O)=O	ZINC000224910021	569190825	/nfs/dbraw/zinc/19/08/25/569190825.db2.gz	LNIOSLMMKAHWME-UHFFFAOYSA-N	0	0	448.501	2.608	40	5		IFBBRN
CCCSc1nnc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)s1	ZINC000224997471	569210072	/nfs/dbraw/zinc/21/00/72/569210072.db2.gz	LFZIDZFRUWWKSI-UHFFFAOYSA-N	0	0	445.548	2.662	40	5		IFBBRN
CCOC(=O)CN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225023328	569213619	/nfs/dbraw/zinc/21/36/19/569213619.db2.gz	USODAHCZOUDJLM-UHFFFAOYSA-N	0	0	436.442	2.530	40	5		IFBBRN
CCOc1ccccc1CCCNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000010111036	569221116	/nfs/dbraw/zinc/22/11/16/569221116.db2.gz	SFXFGPXPYGGTTF-UHFFFAOYSA-N	0	0	449.529	2.817	40	5		IFBBRN
CCOc1ccc(-c2n[nH]c(=O)c3c2[C@H](c2ccccc2[N+](=O)[O-])n2nnnc2N3)cc1	ZINC000010295834	569222184	/nfs/dbraw/zinc/22/21/84/569222184.db2.gz	QHBMPFYPXYEIRO-SFHVURJKSA-N	0	0	432.400	2.837	40	5		IFBBRN
COc1c(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000033474172	569244135	/nfs/dbraw/zinc/24/41/35/569244135.db2.gz	XAXLWAQLAPFVRH-APSNUPSMSA-N	0	0	426.410	2.899	40	5		IFBBRN
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[nH]c(=O)c32)cc1[N+](=O)[O-]	ZINC000253572496	569284263	/nfs/dbraw/zinc/28/42/63/569284263.db2.gz	QGFBQMYDZCAACH-TZMCWYRMSA-N	0	0	440.460	2.842	40	5		IFBBRN
O=C(C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1	ZINC000009234392	569294546	/nfs/dbraw/zinc/29/45/46/569294546.db2.gz	YGFKRLXIPKWQNC-UFYCRDLUSA-N	0	0	436.468	2.875	40	5		IFBBRN
COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000010119982	569299280	/nfs/dbraw/zinc/29/92/80/569299280.db2.gz	PAWXFKFQFFQDDW-UHFFFAOYSA-N	0	0	426.414	2.787	40	5		IFBBRN
COc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(OC)c1	ZINC000019644515	569324873	/nfs/dbraw/zinc/32/48/73/569324873.db2.gz	KVUXQHDQKXEHBB-UHFFFAOYSA-N	0	0	446.485	2.575	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000019643233	569324964	/nfs/dbraw/zinc/32/49/64/569324964.db2.gz	MQPSCMGSWACDLZ-UHFFFAOYSA-N	0	0	445.457	2.775	40	5		IFBBRN
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CS(=O)(=O)N2CCOCC2)cc1	ZINC000020107577	569333948	/nfs/dbraw/zinc/33/39/48/569333948.db2.gz	YCPQFMPEAWUJGS-UHFFFAOYSA-N	0	0	439.877	2.663	40	5		IFBBRN
Cn1cnnc1Sc1cc(N2CCN(C(=O)c3ccccc3F)CC2)ccc1[N+](=O)[O-]	ZINC000020428569	569365347	/nfs/dbraw/zinc/36/53/47/569365347.db2.gz	OBKGHEDWTCLKPT-UHFFFAOYSA-N	0	0	442.476	2.976	40	5		IFBBRN
CN(C)S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1F	ZINC000030752406	569447619	/nfs/dbraw/zinc/44/76/19/569447619.db2.gz	NGFPRYDNWNITES-UHFFFAOYSA-N	0	0	430.845	2.639	40	5		IFBBRN
CC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12	ZINC000059416436	569461279	/nfs/dbraw/zinc/46/12/79/569461279.db2.gz	CNJHWVPMGDJLNI-SJLPKXTDSA-N	0	0	426.816	2.880	40	5		IFBBRN
CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020802121	521278956	/nfs/dbraw/zinc/27/89/56/521278956.db2.gz	IOTGKBWDFPBPKZ-RTBURBONSA-N	0	0	438.440	2.706	40	5		IFBBRN
COc1ccc(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)c([N+](=O)[O-])c1	ZINC000012640692	524492727	/nfs/dbraw/zinc/49/27/27/524492727.db2.gz	AMANAXNWPGZQNA-UHFFFAOYSA-N	0	0	428.424	2.763	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1ccc(C)c(C)c1)S(C)(=O)=O	ZINC000022367496	525465144	/nfs/dbraw/zinc/46/51/44/525465144.db2.gz	ZDBANQWCUFBBMV-OAHLLOKOSA-N	0	0	435.502	2.864	40	5		IFBBRN
Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-]	ZINC000408656259	556613676	/nfs/dbraw/zinc/61/36/76/556613676.db2.gz	NBBWHHDVYQGVHM-DOTOQJQBSA-N	0	0	425.441	2.995	40	5		IFBBRN
CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(OC)ccc3[N+](=O)[O-])CC2=O)cc1	ZINC000408657921	556613935	/nfs/dbraw/zinc/61/39/35/556613935.db2.gz	QAJNEERJULGIBL-OAHLLOKOSA-N	0	0	441.440	2.701	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O	ZINC000408704781	556617982	/nfs/dbraw/zinc/61/79/82/556617982.db2.gz	SURMHMJNIXKIAS-UHFFFAOYSA-N	0	0	435.458	2.817	40	5		IFBBRN
CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccccc3)sc2=N[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000408730255	556618728	/nfs/dbraw/zinc/61/87/28/556618728.db2.gz	GIFGSWWBHQHCOM-MTGKDYNDSA-N	0	0	449.488	2.815	40	5		IFBBRN
CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000408766008	556620080	/nfs/dbraw/zinc/62/00/80/556620080.db2.gz	NSOMVQVWFYXTEW-YBEGLDIGSA-N	0	0	449.466	2.900	40	5		IFBBRN
COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O	ZINC000409208586	556634248	/nfs/dbraw/zinc/63/42/48/556634248.db2.gz	CXUXAKOJLASRPV-YBEGLDIGSA-N	0	0	431.426	2.654	40	5		IFBBRN
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409346314	556637679	/nfs/dbraw/zinc/63/76/79/556637679.db2.gz	JZJJJQRIFKXGCN-YBEGLDIGSA-N	0	0	449.485	2.994	40	5		IFBBRN
O=C(/C=C1\SC(=O)N(CC(=O)Nc2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000016754399	556638741	/nfs/dbraw/zinc/63/87/41/556638741.db2.gz	BFLGYFXZXRQCBO-GDNBJRDFSA-N	0	0	426.410	2.751	40	5		IFBBRN
COCc1n[nH]c(-n2ccc3nc4ccn(Cc5ccccc5Cl)c(=O)c4cc3c2=O)n1	ZINC000040399006	556641200	/nfs/dbraw/zinc/64/12/00/556641200.db2.gz	PXSCPCSWMRWXDU-UHFFFAOYSA-N	0	0	448.870	2.667	40	5		IFBBRN
COc1ccc(C(O)=C2[C@@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1	ZINC000013563161	556697410	/nfs/dbraw/zinc/69/74/10/556697410.db2.gz	KBQZNKGWZLRXRM-RKVPGOIHSA-N	0	0	439.346	2.707	40	5		IFBBRN
CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccc3c(c2)OCO3)N[C@H](c2ccc3c(c2)OCO3)[C@H]1[N+](=O)[O-]	ZINC000033929436	556742542	/nfs/dbraw/zinc/74/25/42/556742542.db2.gz	KOGKQDDNBIWGRO-WTGUMLROSA-N	0	0	443.412	2.846	40	5		IFBBRN
Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O	ZINC000220037026	556810467	/nfs/dbraw/zinc/81/04/67/556810467.db2.gz	FGRMLHZIPIHZJT-OAHLLOKOSA-N	0	0	435.502	2.561	40	5		IFBBRN
Cc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2)n1C	ZINC000409123323	556962193	/nfs/dbraw/zinc/96/21/93/556962193.db2.gz	FNOVLCYHSZSEPP-UHFFFAOYSA-N	0	0	440.485	2.693	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O	ZINC000409136777	556969975	/nfs/dbraw/zinc/96/99/75/556969975.db2.gz	VJDMJQHIEHYTII-UHFFFAOYSA-N	0	0	427.866	2.970	40	5		IFBBRN
COc1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1OC	ZINC000220381719	557133946	/nfs/dbraw/zinc/13/39/46/557133946.db2.gz	LHKWQQSBECPJJW-CYBMUJFWSA-N	0	0	437.474	2.714	40	5		IFBBRN
COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1C	ZINC000220389152	557134576	/nfs/dbraw/zinc/13/45/76/557134576.db2.gz	YTOKIKXLENMXMO-AWEZNQCLSA-N	0	0	449.485	2.791	40	5		IFBBRN
CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	ZINC000220393926	557135630	/nfs/dbraw/zinc/13/56/30/557135630.db2.gz	YXQQCTXCEIWTHJ-CQSZACIVSA-N	0	0	449.485	2.873	40	5		IFBBRN
CCOc1ccccc1CNC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000220394864	557135881	/nfs/dbraw/zinc/13/58/81/557135881.db2.gz	ISIKEVMWHQVQLE-OAHLLOKOSA-N	0	0	435.502	2.773	40	5		IFBBRN
Cc1ccc(SCCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000220404420	557143788	/nfs/dbraw/zinc/14/37/88/557143788.db2.gz	FMCYLNZOVIKPAZ-OAHLLOKOSA-N	0	0	437.543	2.966	40	5		IFBBRN
COc1ccc(Cl)cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O	ZINC000220027014	557277727	/nfs/dbraw/zinc/27/77/27/557277727.db2.gz	RGSDFANKHPTQBV-UHFFFAOYSA-N	0	0	427.866	2.970	40	5		IFBBRN
CCOC(=O)c1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1C	ZINC000220034161	557277807	/nfs/dbraw/zinc/27/78/07/557277807.db2.gz	DVVIWJGUTBMFHY-UHFFFAOYSA-N	0	0	449.485	2.793	40	5		IFBBRN
CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1	ZINC000408576966	557419982	/nfs/dbraw/zinc/41/99/82/557419982.db2.gz	ZDPBHYGHCWFWEE-UHFFFAOYSA-N	0	0	428.401	2.642	40	5		IFBBRN
COc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1	ZINC000408641849	557424456	/nfs/dbraw/zinc/42/44/56/557424456.db2.gz	DDLJAYCEVWOQMD-HIFRSBDPSA-N	0	0	442.424	2.780	40	5		IFBBRN
COCc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCC[C@@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1	ZINC000223067169	557424992	/nfs/dbraw/zinc/42/49/92/557424992.db2.gz	ZEBJOQIMHOXXFJ-BIENJYKASA-N	0	0	434.500	2.962	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(C)ccc2C)CC1=O	ZINC000408664654	557426913	/nfs/dbraw/zinc/42/69/13/557426913.db2.gz	CUDDFQWVRGDUGW-OAHLLOKOSA-N	0	0	441.440	2.755	40	5		IFBBRN
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)N[C@@H](C)c3ccccc3)CC2=O)cc1[N+](=O)[O-]	ZINC000408665554	557427105	/nfs/dbraw/zinc/42/71/05/557427105.db2.gz	FVRFIDNTKNMNGV-RDJZCZTQSA-N	0	0	425.441	2.677	40	5		IFBBRN
CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000408666161	557427409	/nfs/dbraw/zinc/42/74/09/557427409.db2.gz	GGVLEMAGFJNBMM-CQSZACIVSA-N	0	0	427.413	2.528	40	5		IFBBRN
O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1cccc(I)c1	ZINC000014270401	557429760	/nfs/dbraw/zinc/42/97/60/557429760.db2.gz	XHYHRANBGVWQLX-UHFFFAOYSA-N	0	0	442.238	2.831	40	5		IFBBRN
Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@@H]34)C2O)c(C)c1	ZINC000104107978	557449950	/nfs/dbraw/zinc/44/99/50/557449950.db2.gz	DLBRFBSADBVILO-BURNTYAHSA-N	0	0	444.447	2.809	40	5		IFBBRN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccccc3)N3N=CC=C[C@@H]23)C1O	ZINC000104122995	557450654	/nfs/dbraw/zinc/45/06/54/557450654.db2.gz	DIKMEPIJUPGTNE-HAGHYFMRSA-N	0	0	430.420	2.500	40	5		IFBBRN
COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)C[C@H]1C	ZINC000045221710	557542943	/nfs/dbraw/zinc/54/29/43/557542943.db2.gz	OLFNAISOLPOLIZ-CQSZACIVSA-N	0	0	443.460	2.929	40	5		IFBBRN
Cc1c(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000222364110	568638317	/nfs/dbraw/zinc/63/83/17/568638317.db2.gz	HRRUJUKRKRHBKJ-UHFFFAOYSA-N	0	0	436.446	2.996	40	5		IFBBRN
CC[C@@H](C(=O)Nc1ccc(OC)cc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222515837	568649866	/nfs/dbraw/zinc/64/98/66/568649866.db2.gz	CWAMKLLTAIPINW-KRWDZBQOSA-N	0	0	437.474	2.795	40	5		IFBBRN
CCOc1cccc(CNC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000222528332	568650511	/nfs/dbraw/zinc/65/05/11/568650511.db2.gz	YHYNLXWZUFBFLU-LJQANCHMSA-N	0	0	435.502	2.855	40	5		IFBBRN
CC[C@H](C(=O)NCCOc1ccc(C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222526914	568650513	/nfs/dbraw/zinc/65/05/13/568650513.db2.gz	GWQYAZPXRBTKGJ-LJQANCHMSA-N	0	0	435.502	2.643	40	5		IFBBRN
CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222533680	568651447	/nfs/dbraw/zinc/65/14/47/568651447.db2.gz	AIZBIHHFCZVECK-QGZVFWFLSA-N	0	0	449.485	2.873	40	5		IFBBRN
COc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1	ZINC000222602602	568654389	/nfs/dbraw/zinc/65/43/89/568654389.db2.gz	KZSFQWIZVMUCJD-UHFFFAOYSA-N	0	0	437.474	2.797	40	5		IFBBRN
COC(=O)c1ccccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222685040	568657211	/nfs/dbraw/zinc/65/72/11/568657211.db2.gz	LWEKLPWFIZWHPA-UHFFFAOYSA-N	0	0	435.458	2.566	40	5		IFBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000026779990	568738949	/nfs/dbraw/zinc/73/89/49/568738949.db2.gz	PXONITQSAVXGLX-UHFFFAOYSA-N	0	0	440.865	2.913	40	5		IFBBRN
Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1S(=O)(=O)N1CCOCC1	ZINC000218519895	568759728	/nfs/dbraw/zinc/75/97/28/568759728.db2.gz	OKVWYAKEYCAINQ-UHFFFAOYSA-N	0	0	439.877	2.830	40	5		IFBBRN
CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000222978024	568774403	/nfs/dbraw/zinc/77/44/03/568774403.db2.gz	JUIWQWDZRCPMFW-CQSZACIVSA-N	0	0	433.436	2.675	40	5		IFBBRN
COc1c(I)cc(/C=C/C(=S)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000032189230	568784890	/nfs/dbraw/zinc/78/48/90/568784890.db2.gz	VHNXDBMPMNSFOF-NSCUHMNNSA-N	0	0	434.255	2.881	40	5		IFBBRN
CS(=O)(=O)N(CC(=O)NCCOc1cccc2ccccc21)c1cccc([N+](=O)[O-])c1	ZINC000223523131	568861486	/nfs/dbraw/zinc/86/14/86/568861486.db2.gz	CFIYWEAMIFYMTD-UHFFFAOYSA-N	0	0	443.481	2.709	40	5		IFBBRN
CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000016250142	568874918	/nfs/dbraw/zinc/87/49/18/568874918.db2.gz	LJFBDVKGRCNIKO-UHFFFAOYSA-N	0	0	431.499	2.863	40	5		IFBBRN
COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)cc1OC	ZINC000223597061	568875810	/nfs/dbraw/zinc/87/58/10/568875810.db2.gz	RSJGFUAYJGEIEU-UHFFFAOYSA-N	0	0	448.457	2.791	40	5		IFBBRN
CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000016347832	568877566	/nfs/dbraw/zinc/87/75/66/568877566.db2.gz	DFDFUWIHLATWQT-UHFFFAOYSA-N	0	0	431.499	2.863	40	5		IFBBRN
Cc1cccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C	ZINC000223958620	568879910	/nfs/dbraw/zinc/87/99/10/568879910.db2.gz	LXTARAVNWZQMRL-UHFFFAOYSA-N	0	0	449.529	2.953	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccc(Cl)cc1)S(C)(=O)=O	ZINC000224057836	568889557	/nfs/dbraw/zinc/88/95/57/568889557.db2.gz	WQJMOGUMZDNQTP-UHFFFAOYSA-N	0	0	441.893	2.518	40	5		IFBBRN
Cc1cc(C)cc(OCCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000224100617	568905371	/nfs/dbraw/zinc/90/53/71/568905371.db2.gz	VSRCAMDKDNTFOB-MRXNPFEDSA-N	0	0	435.502	2.561	40	5		IFBBRN
Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-]	ZINC000224354388	568923266	/nfs/dbraw/zinc/92/32/66/568923266.db2.gz	VWXDYQYPTWRDGX-UHFFFAOYSA-N	0	0	447.513	2.887	40	5		IFBBRN
CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1	ZINC000139054982	569138129	/nfs/dbraw/zinc/13/81/29/569138129.db2.gz	RWCUNPIQMBAHQD-HNNXBMFYSA-N	0	0	441.440	2.701	40	5		IFBBRN
CCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)N2N1	ZINC000588228239	569145518	/nfs/dbraw/zinc/14/55/18/569145518.db2.gz	KSBPUJWQZYEKLA-QGZVFWFLSA-N	0	0	429.889	2.534	40	5		IFBBRN
COc1ccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1Br	ZINC000017094268	569172968	/nfs/dbraw/zinc/17/29/68/569172968.db2.gz	AJWAGLHVDYNTFP-UHFFFAOYSA-N	0	0	425.264	2.997	40	5		IFBBRN
O=C(CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)OCc1ccccc1	ZINC000002272597	569217102	/nfs/dbraw/zinc/21/71/02/569217102.db2.gz	ZHMPDFXEETXOOE-UYRXBGFRSA-N	0	0	449.419	2.818	40	5		IFBBRN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1C	ZINC000009974018	569220395	/nfs/dbraw/zinc/22/03/95/569220395.db2.gz	GUVWIDPORUHQFL-OAHLLOKOSA-N	0	0	433.486	2.951	40	5		IFBBRN
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1C	ZINC000009974017	569220418	/nfs/dbraw/zinc/22/04/18/569220418.db2.gz	GUVWIDPORUHQFL-HNNXBMFYSA-N	0	0	433.486	2.951	40	5		IFBBRN
CCOc1ccc([C@@H]2c3c(-c4cccc([N+](=O)[O-])c4)n[nH]c(=O)c3Nc3nnnn32)cc1	ZINC000010296691	569222195	/nfs/dbraw/zinc/22/21/95/569222195.db2.gz	HBMNESBZABKHHR-GOSISDBHSA-N	0	0	432.400	2.837	40	5		IFBBRN
COc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl	ZINC000010358328	569223767	/nfs/dbraw/zinc/22/37/67/569223767.db2.gz	DGAORNUCOAZMBH-UHFFFAOYSA-N	0	0	427.866	2.970	40	5		IFBBRN
COc1c(/C=c2\sc3nc4c(cc(C)cc4C)n3c2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000104386222	569250250	/nfs/dbraw/zinc/25/02/50/569250250.db2.gz	WOERVIUEFXZJBA-CHHVJCJISA-N	0	0	426.410	2.899	40	5		IFBBRN
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1	ZINC000010008496	569299080	/nfs/dbraw/zinc/29/90/80/569299080.db2.gz	GCAQVUAHJNLYSQ-CQSZACIVSA-N	0	0	449.485	2.651	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1	ZINC000010756033	569300955	/nfs/dbraw/zinc/30/09/55/569300955.db2.gz	HDBFFVZDHMCRTP-GFCCVEGCSA-N	0	0	425.488	2.704	40	5		IFBBRN
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000019162847	569316384	/nfs/dbraw/zinc/31/63/84/569316384.db2.gz	WRTCAEUZBQWJEU-UHFFFAOYSA-N	0	0	425.850	2.521	40	5		IFBBRN
Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cccc1[N+](=O)[O-]	ZINC000019643230	569325015	/nfs/dbraw/zinc/32/50/15/569325015.db2.gz	NAASZGSJHGMIDY-UHFFFAOYSA-N	0	0	445.457	2.775	40	5		IFBBRN
O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000022527883	569403424	/nfs/dbraw/zinc/40/34/24/569403424.db2.gz	IADNCLJKMKWEHM-UHFFFAOYSA-N	0	0	449.420	2.606	40	5		IFBBRN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(F)cc3)N3CCC[C@H]23)C1O	ZINC000217586113	569449335	/nfs/dbraw/zinc/44/93/35/569449335.db2.gz	WIQMGZPVMIKVIS-YSTOQKLRSA-N	0	0	437.427	2.877	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1	ZINC000038859785	569469325	/nfs/dbraw/zinc/46/93/25/569469325.db2.gz	SECWZFONPQWPHS-MRXNPFEDSA-N	0	0	425.850	2.722	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21	ZINC000040399220	569501124	/nfs/dbraw/zinc/50/11/24/569501124.db2.gz	FUAQWZZJVXHZGH-AWEZNQCLSA-N	0	0	434.412	2.795	40	5		IFBBRN
COC(=O)c1sc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)nc1C	ZINC000014269911	569583799	/nfs/dbraw/zinc/58/37/99/569583799.db2.gz	OMEAERGNKCOHIJ-UHFFFAOYSA-N	0	0	449.514	2.873	40	5		IFBBRN
CCc1ccc([C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1	ZINC000223312203	193965424	/nfs/dbraw/zinc/96/54/24/193965424.db2.gz	KPSQRMUBPPWCQG-AWEZNQCLSA-N	0	0	435.502	2.809	40	5		IFBBRN
CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1	ZINC000006172307	132276295	/nfs/dbraw/zinc/27/62/95/132276295.db2.gz	SPXOOAUFOYBWSK-UHFFFAOYSA-N	0	0	438.893	2.582	40	5		IFBBRN
CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000016283157	519640652	/nfs/dbraw/zinc/64/06/52/519640652.db2.gz	IWMFVPBCBPHWCC-UHFFFAOYSA-N	0	0	431.499	2.863	40	5		IFBBRN
CCOc1ccc(C(=O)NC2CCN(CC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000012644399	520904687	/nfs/dbraw/zinc/90/46/87/520904687.db2.gz	QYRJEWVYGOCICH-UHFFFAOYSA-N	0	0	426.473	2.826	40	5		IFBBRN
CCOc1ccc(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000022348095	520947732	/nfs/dbraw/zinc/94/77/32/520947732.db2.gz	WSVHIEABHGCYMG-UHFFFAOYSA-N	0	0	435.502	2.509	40	5		IFBBRN
Cc1ccc(OC[C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000022375040	525434199	/nfs/dbraw/zinc/43/41/99/525434199.db2.gz	UVRBRCRHRVQOOC-INIZCTEOSA-N	0	0	435.502	2.561	40	5		IFBBRN
Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@@H]34)C2O)c(C)c1	ZINC000009087842	555509246	/nfs/dbraw/zinc/50/92/46/555509246.db2.gz	DLBRFBSADBVILO-BQJUDKOJSA-N	0	0	444.447	2.809	40	5		IFBBRN
COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)[O-]	ZINC000002003227	555727187	/nfs/dbraw/zinc/72/71/87/555727187.db2.gz	HFGDOEGDRDVXPX-BATLZEKGSA-N	0	0	429.425	2.894	40	5	in-vitro	IFBBRN
O=C(Oc1cccc(N2C(=O)CCCC2=O)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000408652540	556613167	/nfs/dbraw/zinc/61/31/67/556613167.db2.gz	DIBQUWZJXIMZEU-CQSZACIVSA-N	0	0	437.408	2.597	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O	ZINC000408672366	556615107	/nfs/dbraw/zinc/61/51/07/556615107.db2.gz	WCOWYNYMYKZKAC-LBPRGKRZSA-N	0	0	447.831	2.792	40	5		IFBBRN
O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccccc1	ZINC000408689167	556616875	/nfs/dbraw/zinc/61/68/75/556616875.db2.gz	XTALIOLPMUHKNO-KDURUIRLSA-N	0	0	433.420	2.786	40	5		IFBBRN
COc1ccc(-c2nnc(CN(C)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)cc1OC	ZINC000408714299	556617690	/nfs/dbraw/zinc/61/76/90/556617690.db2.gz	NJPOHKAQUNZZFP-UHFFFAOYSA-N	0	0	443.372	2.842	40	5		IFBBRN
O=c1c2cc3c(ccn(-c4cccc(Cl)c4)c3=O)nc2ccn1CCN1CCOCC1	ZINC000038829005	556620788	/nfs/dbraw/zinc/62/07/88/556620788.db2.gz	GHROFDLAPJJKRB-UHFFFAOYSA-N	0	0	436.899	2.686	40	5		IFBBRN
CO[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CO1	ZINC000005049002	556626391	/nfs/dbraw/zinc/62/63/91/556626391.db2.gz	DWYWYUISCFNJMR-KSZLIROESA-N	0	0	446.368	2.647	40	5		IFBBRN
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1[O-]	ZINC000409107368	556630086	/nfs/dbraw/zinc/63/00/86/556630086.db2.gz	PBNADSRVRYPPDJ-CXUHLZMHSA-N	0	0	440.412	2.539	40	5		IFBBRN
Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(F)cc1	ZINC000409138507	556631132	/nfs/dbraw/zinc/63/11/32/556631132.db2.gz	CWZHHCRFTYUPBG-UHFFFAOYSA-N	0	0	444.448	2.523	40	5		IFBBRN
CSc1n[nH]c(-n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)n1	ZINC000040398883	556640864	/nfs/dbraw/zinc/64/08/64/556640864.db2.gz	LPMWBRFVCRQALE-UHFFFAOYSA-N	0	0	430.493	2.783	40	5		IFBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000013562863	556697425	/nfs/dbraw/zinc/69/74/25/556697425.db2.gz	WPIQRBJCALAPSY-INIZCTEOSA-N	0	0	426.473	2.777	40	5		IFBBRN
CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O	ZINC000013715627	556715213	/nfs/dbraw/zinc/71/52/13/556715213.db2.gz	VZHIUGDNVKBDTK-INIZCTEOSA-N	0	0	425.438	2.926	40	5		IFBBRN
Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C	ZINC000409057862	556934959	/nfs/dbraw/zinc/93/49/59/556934959.db2.gz	LNPRTZFUQAQPAQ-UHFFFAOYSA-N	0	0	440.485	2.693	40	5		IFBBRN
C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1C	ZINC000409131202	556968004	/nfs/dbraw/zinc/96/80/04/556968004.db2.gz	KEGCJIZGLMKDTF-CYBMUJFWSA-N	0	0	440.485	2.945	40	5		IFBBRN
C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1C	ZINC000409131205	556968032	/nfs/dbraw/zinc/96/80/32/556968032.db2.gz	KEGCJIZGLMKDTF-ZDUSSCGKSA-N	0	0	440.485	2.945	40	5		IFBBRN
Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1	ZINC000409133012	556968044	/nfs/dbraw/zinc/96/80/44/556968044.db2.gz	YZGPFYQXCJGXCE-UHFFFAOYSA-N	0	0	440.485	2.693	40	5		IFBBRN
CCCCOC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O	ZINC000409208611	556997454	/nfs/dbraw/zinc/99/74/54/556997454.db2.gz	DCJNUSLUHZDLRC-ATVHPVEESA-N	0	0	449.485	2.811	40	5		IFBBRN
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1C	ZINC000409356308	557084173	/nfs/dbraw/zinc/08/41/73/557084173.db2.gz	GMEAXCPOQBKLFD-UHFFFAOYSA-N	0	0	433.486	2.951	40	5		IFBBRN
CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000220401510	557143481	/nfs/dbraw/zinc/14/34/81/557143481.db2.gz	LHIRSQWIGAXYFP-CYBMUJFWSA-N	0	0	435.458	2.565	40	5		IFBBRN
C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220414518	557149390	/nfs/dbraw/zinc/14/93/90/557149390.db2.gz	WGCHQKJPSGDEQT-SNVBAGLBSA-N	0	0	442.837	2.950	40	5		IFBBRN
CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000220417792	557149777	/nfs/dbraw/zinc/14/97/77/557149777.db2.gz	QDWAGYCBXMCMMY-ZDUSSCGKSA-N	0	0	435.458	2.565	40	5		IFBBRN
COc1cccc(CCCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000220416586	557149791	/nfs/dbraw/zinc/14/97/91/557149791.db2.gz	DVFNPHLOTBIYFT-OAHLLOKOSA-N	0	0	435.502	2.507	40	5		IFBBRN
Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000220423130	557154425	/nfs/dbraw/zinc/15/44/25/557154425.db2.gz	JACRUYJUNZARDM-JKSUJKDBSA-N	0	0	435.502	2.641	40	5		IFBBRN
COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C1=O)CC2	ZINC000102332199	557318998	/nfs/dbraw/zinc/31/89/98/557318998.db2.gz	SXDSPKMFYHTOEW-SFHVURJKSA-N	0	0	425.441	2.611	40	5		IFBBRN
O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccccc1I	ZINC000014270403	557332409	/nfs/dbraw/zinc/33/24/09/557332409.db2.gz	GUOSYTQTOUIVOE-UHFFFAOYSA-N	0	0	442.238	2.831	40	5		IFBBRN
CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1	ZINC000222363034	557336049	/nfs/dbraw/zinc/33/60/49/557336049.db2.gz	ADMOFDMOAHIPRH-UHFFFAOYSA-N	0	0	435.458	2.551	40	5		IFBBRN
CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccccc1F)S(C)(=O)=O	ZINC000220595046	557353186	/nfs/dbraw/zinc/35/31/86/557353186.db2.gz	OWYZIKQOGGKOGW-OAHLLOKOSA-N	0	0	425.438	2.926	40	5		IFBBRN
O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(CN2CCOCC2)n1-c1ccccc1	ZINC000408602503	557420670	/nfs/dbraw/zinc/42/06/70/557420670.db2.gz	BYQLCNCKEDFAFZ-UHFFFAOYSA-N	0	0	425.470	2.971	40	5		IFBBRN
CO[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1	ZINC000004974941	557420741	/nfs/dbraw/zinc/42/07/41/557420741.db2.gz	NGKKKFKTIZCIEN-BZSNNMDCSA-N	0	0	446.368	2.647	40	5		IFBBRN
COc1cccc(NC(=O)COc2ccc(C=Cc3nc(O)c([N+](=O)[O-])c(O)n3)cc2)c1	ZINC000408608351	557421668	/nfs/dbraw/zinc/42/16/68/557421668.db2.gz	VZCGKLLXYRFGIZ-JXMROGBWSA-N	0	0	438.396	2.993	40	5		IFBBRN
CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])CC1=O	ZINC000408646572	557425119	/nfs/dbraw/zinc/42/51/19/557425119.db2.gz	PZSAORBVCUWOAF-HNNXBMFYSA-N	0	0	441.440	2.701	40	5		IFBBRN
COCc1n[nH]c(-n2ccc3nc4ccn([C@H]5CCC[C@@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1	ZINC000223067219	557425126	/nfs/dbraw/zinc/42/51/26/557425126.db2.gz	ZEBJOQIMHOXXFJ-TYILLQQXSA-N	0	0	434.500	2.962	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2c(C)cccc2C)CC1=O	ZINC000408669912	557426826	/nfs/dbraw/zinc/42/68/26/557426826.db2.gz	PMXANMRMFQUTLE-OAHLLOKOSA-N	0	0	441.440	2.755	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O	ZINC000408667074	557427149	/nfs/dbraw/zinc/42/71/49/557427149.db2.gz	IYZCMCKEKGSTFZ-LBPRGKRZSA-N	0	0	447.831	2.792	40	5		IFBBRN
CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O	ZINC000408666846	557427388	/nfs/dbraw/zinc/42/73/88/557427388.db2.gz	SWSUSIRVIKIZOO-CQSZACIVSA-N	0	0	427.413	2.528	40	5		IFBBRN
CC(=O)c1nn(-c2cccc([N+](=O)[O-])c2)c2c(O)n(-c3cccc(Cl)c3C)c(O)c12	ZINC000103769274	557441540	/nfs/dbraw/zinc/44/15/40/557441540.db2.gz	PNECACSGKDMMOY-FUHWJXTLSA-N	0	0	426.816	2.880	40	5		IFBBRN
Cn1c(=O)nc2n(-c3cccc(Br)c3)c3ccc([N+](=O)[O-])cc3cc-2c1=O	ZINC000059497847	557826283	/nfs/dbraw/zinc/82/62/83/557826283.db2.gz	VGEICMWRHCBJDC-UHFFFAOYSA-N	0	0	427.214	2.860	40	5		IFBBRN
Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)NCCc1ccccc1	ZINC000000881581	557851332	/nfs/dbraw/zinc/85/13/32/557851332.db2.gz	BCWASNSGVFPSCE-UHFFFAOYSA-N	0	0	427.486	2.753	40	5		IFBBRN
COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000045206846	568625577	/nfs/dbraw/zinc/62/55/77/568625577.db2.gz	QLRSMGGZQCLSDX-UHFFFAOYSA-N	0	0	429.433	2.540	40	5		IFBBRN
COc1ccc(CCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000222361321	568638051	/nfs/dbraw/zinc/63/80/51/568638051.db2.gz	RGRJUXKZMSBYDQ-UHFFFAOYSA-N	0	0	435.502	2.509	40	5		IFBBRN
CS(=O)(=O)N(CCCC(=O)NCCSCc1ccco1)c1cccc([N+](=O)[O-])c1	ZINC000222362419	568638203	/nfs/dbraw/zinc/63/82/03/568638203.db2.gz	JJQNNMPWHMPWCT-UHFFFAOYSA-N	0	0	441.531	2.784	40	5		IFBBRN
CCOc1ccccc1CNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222366799	568638266	/nfs/dbraw/zinc/63/82/66/568638266.db2.gz	GILBMMBTYUXCAD-UHFFFAOYSA-N	0	0	435.502	2.856	40	5		IFBBRN
CC[C@@H](C(=O)NCCSCc1ccco1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222520778	568650280	/nfs/dbraw/zinc/65/02/80/568650280.db2.gz	BYCXZDDHQCWJIQ-KRWDZBQOSA-N	0	0	441.531	2.782	40	5		IFBBRN
CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222533626	568651477	/nfs/dbraw/zinc/65/14/77/568651477.db2.gz	AIZBIHHFCZVECK-KRWDZBQOSA-N	0	0	449.485	2.873	40	5		IFBBRN
Cc1c(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000222672323	568657035	/nfs/dbraw/zinc/65/70/35/568657035.db2.gz	HQANPGMXIQVFFV-UHFFFAOYSA-N	0	0	449.485	2.859	40	5		IFBBRN
COc1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(OC)c1	ZINC000222685230	568657302	/nfs/dbraw/zinc/65/73/02/568657302.db2.gz	NFDSSDNQAGAPLJ-UHFFFAOYSA-N	0	0	437.474	2.797	40	5		IFBBRN
O=C(c1ccccc1)[C@@H]([C@@H](c1cccc([N+](=O)[O-])c1)N1CCOCC1)N1CCOCC1	ZINC000031613442	568741082	/nfs/dbraw/zinc/74/10/82/568741082.db2.gz	UCZZLGBQZYHCMY-FGZHOGPDSA-N	0	0	425.485	2.552	40	5		IFBBRN
CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O	ZINC000032124598	568781423	/nfs/dbraw/zinc/78/14/23/568781423.db2.gz	LKBAIHYSHMFJNV-ZSOIEALJSA-N	0	0	426.472	2.667	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCSC1CCCC1)S(C)(=O)=O	ZINC000223568798	568872010	/nfs/dbraw/zinc/87/20/10/568872010.db2.gz	GYQRZONIMLXPLS-AWEZNQCLSA-N	0	0	429.564	2.850	40	5		IFBBRN
CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223676579	568876241	/nfs/dbraw/zinc/87/62/41/568876241.db2.gz	ZIOALXHOJRUBJG-INIZCTEOSA-N	0	0	429.473	2.844	40	5		IFBBRN
CC[C@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000224103072	568905325	/nfs/dbraw/zinc/90/53/25/568905325.db2.gz	NJQANAUKIYVRCA-HXUWFJFHSA-N	0	0	449.529	2.951	40	5		IFBBRN
Cc1cc(C)cc(OCCNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	ZINC000224100534	568905417	/nfs/dbraw/zinc/90/54/17/568905417.db2.gz	XTWKHNSJUPSUQG-KRWDZBQOSA-N	0	0	449.529	2.870	40	5		IFBBRN
CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000224129795	568905981	/nfs/dbraw/zinc/90/59/81/568905981.db2.gz	IPXKOSAQCFYXQF-GOSISDBHSA-N	0	0	429.473	2.926	40	5		IFBBRN
CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)N2N1	ZINC000588224958	569145503	/nfs/dbraw/zinc/14/55/03/569145503.db2.gz	BUCYYCHDZGSARR-FQEVSTJZSA-N	0	0	447.476	2.751	40	5		IFBBRN
CN(C)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	ZINC000017096530	569172397	/nfs/dbraw/zinc/17/23/97/569172397.db2.gz	QKHZJDAYUBYWGC-UHFFFAOYSA-N	0	0	429.502	2.624	40	5		IFBBRN
Cc1cccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000224819653	569187678	/nfs/dbraw/zinc/18/76/78/569187678.db2.gz	ZCZJHSWQXIPJPT-UHFFFAOYSA-N	0	0	435.502	2.645	40	5		IFBBRN
CSc1nnc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)s1	ZINC000224849701	569189409	/nfs/dbraw/zinc/18/94/09/569189409.db2.gz	NLBTXPFOAHAQNI-UHFFFAOYSA-N	0	0	445.548	2.662	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O	ZINC000224854170	569190009	/nfs/dbraw/zinc/19/00/09/569190009.db2.gz	BCDQIRNBLYRDKE-UHFFFAOYSA-N	0	0	437.493	2.947	40	5		IFBBRN
Cc1c(N(CCCC(=O)NCCOCc2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000224861545	569190307	/nfs/dbraw/zinc/19/03/07/569190307.db2.gz	VBBFDHYPWSTQMZ-UHFFFAOYSA-N	0	0	449.529	2.782	40	5		IFBBRN
CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225087564	569215590	/nfs/dbraw/zinc/21/55/90/569215590.db2.gz	YQKZEOAWMJTQQN-UHFFFAOYSA-N	0	0	437.430	2.878	40	5		IFBBRN
COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(F)c1	ZINC000225119063	569217074	/nfs/dbraw/zinc/21/70/74/569217074.db2.gz	ZWTHHLRYXUARDP-UHFFFAOYSA-N	0	0	432.813	2.764	40	5		IFBBRN
CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(F)c1	ZINC000225113374	569217079	/nfs/dbraw/zinc/21/70/79/569217079.db2.gz	YOOVSQOTXRFHSC-UHFFFAOYSA-N	0	0	426.422	2.809	40	5		IFBBRN
COc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)c([N+](=O)[O-])c1	ZINC000008647432	569219002	/nfs/dbraw/zinc/21/90/02/569219002.db2.gz	TUQIHJJBTUZFKY-UHFFFAOYSA-N	0	0	434.865	2.960	40	5		IFBBRN
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl	ZINC000033718954	569246054	/nfs/dbraw/zinc/24/60/54/569246054.db2.gz	DJEIZBXENMUCKC-LLVKDONJSA-N	0	0	427.866	2.871	40	5		IFBBRN
C[C@@H]1CCC[C@H](C)N1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000059816942	569249752	/nfs/dbraw/zinc/24/97/52/569249752.db2.gz	VAFJVBLMCARFIL-TYNCELHUSA-N	0	0	440.460	2.510	40	5		IFBBRN
Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cccc1[N+](=O)[O-]	ZINC000068968218	569250030	/nfs/dbraw/zinc/25/00/30/569250030.db2.gz	OWVFDFQDGIBDIX-UHFFFAOYSA-N	0	0	439.877	2.830	40	5		IFBBRN
COC(=O)c1ccc(CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)o1	ZINC000107594614	569250585	/nfs/dbraw/zinc/25/05/85/569250585.db2.gz	IMBMFYVEMHHKRU-WCSRMQSCSA-N	0	0	432.366	2.940	40	5		IFBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)[nH]c(=O)c21	ZINC000253565085	569284171	/nfs/dbraw/zinc/28/41/71/569284171.db2.gz	HHCKIJBCQHWYSX-OCCSQVGLSA-N	0	0	440.460	2.842	40	5		IFBBRN
O=C(C[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1	ZINC000009361046	569295836	/nfs/dbraw/zinc/29/58/36/569295836.db2.gz	YGFKRLXIPKWQNC-AABGKKOBSA-N	0	0	436.468	2.875	40	5		IFBBRN
COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000113872882	569296977	/nfs/dbraw/zinc/29/69/77/569296977.db2.gz	DRLYPBYSZLZDDK-UHFFFAOYSA-N	0	0	441.849	2.575	40	5		IFBBRN
CN(C)S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1	ZINC000009694885	569297714	/nfs/dbraw/zinc/29/77/14/569297714.db2.gz	KDYWZXZBUPBOSP-UHFFFAOYSA-N	0	0	430.845	2.639	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1	ZINC000010756052	569300923	/nfs/dbraw/zinc/30/09/23/569300923.db2.gz	HDBFFVZDHMCRTP-LBPRGKRZSA-N	0	0	425.488	2.704	40	5		IFBBRN
CN(C)c1ncc(-c2ccc([N+](=O)[O-])cc2)c([C@H]2CCCN(C(=O)Cn3cccn3)C2)n1	ZINC000257242421	569301893	/nfs/dbraw/zinc/30/18/93/569301893.db2.gz	ICKPINDNZRYUCR-KRWDZBQOSA-N	0	0	435.488	2.721	40	5		IFBBRN
CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccc3c(c2)OCO3)N[C@H](c2ccc3c(c2)OCO3)[C@H]1[N+](=O)[O-]	ZINC000013382116	569315176	/nfs/dbraw/zinc/31/51/76/569315176.db2.gz	KOGKQDDNBIWGRO-FGYAAKKASA-N	0	0	443.412	2.846	40	5		IFBBRN
CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1ccc(O)c(OC)c1[N+](=O)[O-]	ZINC000261361633	569315644	/nfs/dbraw/zinc/31/56/44/569315644.db2.gz	AHGZILGXRIYPSB-QGZVFWFLSA-O	0	0	428.450	2.844	40	5		IFBBRN
COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2N2CCCN12	ZINC000019171538	569316356	/nfs/dbraw/zinc/31/63/56/569316356.db2.gz	ZUGSKSUVRQAMHQ-FHWLQOOXSA-N	0	0	442.859	2.792	40	5		IFBBRN
O=[N+]([O-])c1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCO)n1	ZINC000328991983	569321712	/nfs/dbraw/zinc/32/17/12/569321712.db2.gz	IUMMKRGMMGLXLU-UHFFFAOYSA-N	0	0	449.389	2.811	40	5		IFBBRN
COc1ccc(OC)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1	ZINC000019644521	569324846	/nfs/dbraw/zinc/32/48/46/569324846.db2.gz	ZLAUSTNHCWMWHC-UHFFFAOYSA-N	0	0	446.485	2.575	40	5		IFBBRN
CCOC(=O)C1=C(N)O[C@@H]2CC(C)(C)CC(=O)[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000254761707	569434358	/nfs/dbraw/zinc/43/43/58/569434358.db2.gz	XJJJMFWPPXFHSX-BZUAXINKSA-N	0	0	433.417	2.724	40	5		IFBBRN
CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2	ZINC000040390572	569501121	/nfs/dbraw/zinc/50/11/21/569501121.db2.gz	IYRIBJQGEJMMKT-OLZOCXBDSA-N	0	0	440.460	2.512	40	5		IFBBRN
Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)cc1	ZINC000040400482	569501573	/nfs/dbraw/zinc/50/15/73/569501573.db2.gz	RJEAIQSHXUMIAS-CYBMUJFWSA-N	0	0	434.412	2.795	40	5		IFBBRN
CCOC(=O)C1CCN(c2ncnc(Nc3cc(OC)ccc3OC)c2[N+](=O)[O-])CC1	ZINC000040618745	569510591	/nfs/dbraw/zinc/51/05/91/569510591.db2.gz	MRDUOEHISUEQKO-UHFFFAOYSA-N	0	0	431.449	2.925	40	5		IFBBRN
CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000022253002	521659246	/nfs/dbraw/zinc/65/92/46/521659246.db2.gz	KRNZQCSQZOCCJF-UHFFFAOYSA-N	0	0	437.474	2.959	40	5		IFBBRN
CS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000022347910	525150264	/nfs/dbraw/zinc/15/02/64/525150264.db2.gz	ZRELWSMWYSKHJU-UHFFFAOYSA-N	0	0	425.894	2.763	40	5		IFBBRN
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccccc1	ZINC000035900230	526691917	/nfs/dbraw/zinc/69/19/17/526691917.db2.gz	KCZSTMOPZYQNSH-ALFLXDJESA-N	0	0	445.431	2.642	40	5		IFBBRN
O=[N+]([O-])c1cc2nc(Nc3ccc(Br)cc3)c3nnnn3c2cc1[N+](=O)[O-]	ZINC000014921445	527341058	/nfs/dbraw/zinc/34/10/58/527341058.db2.gz	MOWFCFCHFJYHOC-UHFFFAOYSA-N	0	0	431.166	2.995	40	5		IFBBRN
COc1cc([C@@H]2[C@H]3SC(=N)NC3=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O	ZINC000016196029	556590431	/nfs/dbraw/zinc/59/04/31/556590431.db2.gz	AJGNHEZSJSKDCB-HUUCEWRRSA-N	0	0	430.402	2.522	40	5		IFBBRN
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1[N+](=O)[O-]	ZINC000408653932	556613150	/nfs/dbraw/zinc/61/31/50/556613150.db2.gz	QDPOCLUHDLNFFA-AWEZNQCLSA-N	0	0	427.369	2.590	40	5		IFBBRN
COc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])cc1	ZINC000408654295	556613422	/nfs/dbraw/zinc/61/34/22/556613422.db2.gz	BEUFZYJTAHNQEI-UHFFFAOYSA-N	0	0	431.401	2.513	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1	ZINC000408656731	556613637	/nfs/dbraw/zinc/61/36/37/556613637.db2.gz	OCZMFDICHAMLCZ-ZBFHGGJFSA-N	0	0	441.440	2.695	40	5		IFBBRN
Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-]	ZINC000408656270	556613656	/nfs/dbraw/zinc/61/36/56/556613656.db2.gz	NBBWHHDVYQGVHM-WBVHZDCISA-N	0	0	425.441	2.995	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1	ZINC000408656725	556613700	/nfs/dbraw/zinc/61/37/00/556613700.db2.gz	OCZMFDICHAMLCZ-GDBMZVCRSA-N	0	0	441.440	2.695	40	5		IFBBRN
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1	ZINC000408657982	556613954	/nfs/dbraw/zinc/61/39/54/556613954.db2.gz	KKWVBBNQEWAKME-KDURUIRLSA-N	0	0	449.419	2.846	40	5		IFBBRN
O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1	ZINC000408689170	556616694	/nfs/dbraw/zinc/61/66/94/556616694.db2.gz	XTALIOLPMUHKNO-RTBURBONSA-N	0	0	433.420	2.786	40	5		IFBBRN
Cc1c(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000408703337	556617992	/nfs/dbraw/zinc/61/79/92/556617992.db2.gz	FGRADQFGRXXMGH-UHFFFAOYSA-N	0	0	435.458	2.817	40	5		IFBBRN
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2=O)c1	ZINC000409104135	556630212	/nfs/dbraw/zinc/63/02/12/556630212.db2.gz	DYRJVNRFDMYMQA-VGOFMYFVSA-N	0	0	430.804	2.794	40	5		IFBBRN
CC(=O)Oc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1	ZINC000409178666	556632530	/nfs/dbraw/zinc/63/25/30/556632530.db2.gz	MNKISLADRFISDS-UHFFFAOYSA-N	0	0	428.397	2.973	40	5		IFBBRN
O=C(c1ccc([N+](=O)[O-])cc1)N(CCO)CCCN1C(=O)c2cccc3cccc(c32)C1=O	ZINC000409370463	556638453	/nfs/dbraw/zinc/63/84/53/556638453.db2.gz	RFVQWWACPSSFFA-UHFFFAOYSA-N	0	0	447.447	2.869	40	5		IFBBRN
COc1ccc(-n2ccc3nc4ccn(-c5nc(SC)n[nH]5)c(=O)c4cc3c2=O)cc1	ZINC000040398896	556640821	/nfs/dbraw/zinc/64/08/21/556640821.db2.gz	WAKDARFLNYXICT-UHFFFAOYSA-N	0	0	432.465	2.538	40	5		IFBBRN
COc1ccc(Cn2ccc3nc4ccn(-c5nc(SC)n[nH]5)c(=O)c4cc3c2=O)cc1	ZINC000040398879	556640895	/nfs/dbraw/zinc/64/08/95/556640895.db2.gz	IBCYMDHZRWONBU-UHFFFAOYSA-N	0	0	446.492	2.598	40	5		IFBBRN
COCc1n[nH]c(-n2ccc3nc4ccn(CCC5=CCCCC5)c(=O)c4cc3c2=O)n1	ZINC000040398988	556641115	/nfs/dbraw/zinc/64/11/15/556641115.db2.gz	HQDYIKIISCYLIU-UHFFFAOYSA-N	0	0	432.484	2.856	40	5		IFBBRN
Cc1ccc(SCCNC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1	ZINC000220026011	556644922	/nfs/dbraw/zinc/64/49/22/556644922.db2.gz	UJYJDRSWZNTIJO-UHFFFAOYSA-N	0	0	437.543	2.886	40	5		IFBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000013562861	556697382	/nfs/dbraw/zinc/69/73/82/556697382.db2.gz	WPIQRBJCALAPSY-MRXNPFEDSA-N	0	0	426.473	2.777	40	5		IFBBRN
COc1ccc(C(O)=C2[C@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1	ZINC000013563166	556697441	/nfs/dbraw/zinc/69/74/41/556697441.db2.gz	KBQZNKGWZLRXRM-VKJFTORMSA-N	0	0	439.346	2.707	40	5		IFBBRN
COc1cc([C@H]2N[C@H](c3ccc(O)c(OC)c3)[C@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])ccc1O	ZINC000033929652	556742657	/nfs/dbraw/zinc/74/26/57/556742657.db2.gz	LWFVMHYOVYRDHE-ZRNYENFQSA-N	0	0	447.444	2.817	40	5		IFBBRN
COc1cc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(OC)cc1Cl	ZINC000220056295	556840660	/nfs/dbraw/zinc/84/06/60/556840660.db2.gz	WNQPYOGDCJRHRC-UHFFFAOYSA-N	0	0	443.865	2.670	40	5		IFBBRN
CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1	ZINC000409025953	556925837	/nfs/dbraw/zinc/92/58/37/556925837.db2.gz	BRQYKYMSEFQJOR-UHFFFAOYSA-N	0	0	428.264	2.762	40	5		IFBBRN
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)sc2=N1	ZINC000409031231	556927218	/nfs/dbraw/zinc/92/72/18/556927218.db2.gz	JLHNANWJQIZVHT-MTGKDYNDSA-N	0	0	449.488	2.707	40	5		IFBBRN
COc1ccc(-c2noc(CN(C)C(=O)COc3ccc([N+](=O)[O-])c(OC)c3)n2)cc1	ZINC000219829799	556936847	/nfs/dbraw/zinc/93/68/47/556936847.db2.gz	JFEKYAKHKHTELH-UHFFFAOYSA-N	0	0	428.401	2.699	40	5		IFBBRN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1	ZINC000409053719	556937759	/nfs/dbraw/zinc/93/77/59/556937759.db2.gz	OSGFWVPUVCATMC-UHFFFAOYSA-N	0	0	440.475	2.935	40	5		IFBBRN
COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1	ZINC000409126764	556965581	/nfs/dbraw/zinc/96/55/81/556965581.db2.gz	BNFDTXKMTCVTMA-UHFFFAOYSA-N	0	0	427.442	2.908	40	5		IFBBRN
Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(=S)n1C	ZINC000409160465	556978152	/nfs/dbraw/zinc/97/81/52/556978152.db2.gz	YQXVRHRACQPGDF-UHFFFAOYSA-N	0	0	440.485	2.736	40	5		IFBBRN
CCOc1ccc(CNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000220394226	557135639	/nfs/dbraw/zinc/13/56/39/557135639.db2.gz	DCKACBSWHXEXTA-OAHLLOKOSA-N	0	0	435.502	2.773	40	5		IFBBRN
COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000220395456	557135809	/nfs/dbraw/zinc/13/58/09/557135809.db2.gz	ZVBWOIGINXKBLC-CABCVRRESA-N	0	0	435.502	2.944	40	5		IFBBRN
Cc1ccc(SCCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000220404485	557143778	/nfs/dbraw/zinc/14/37/78/557143778.db2.gz	FMCYLNZOVIKPAZ-HNNXBMFYSA-N	0	0	437.543	2.966	40	5		IFBBRN
CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000220418029	557149729	/nfs/dbraw/zinc/14/97/29/557149729.db2.gz	WMHCMQXCALYDGW-CQSZACIVSA-N	0	0	449.485	2.873	40	5		IFBBRN
CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C	ZINC000220417881	557149773	/nfs/dbraw/zinc/14/97/73/557149773.db2.gz	AZLZKWZNKHEGHF-CQSZACIVSA-N	0	0	449.485	2.873	40	5		IFBBRN
CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C	ZINC000220417935	557149840	/nfs/dbraw/zinc/14/98/40/557149840.db2.gz	AZLZKWZNKHEGHF-AWEZNQCLSA-N	0	0	449.485	2.873	40	5		IFBBRN
CC1=C([C@H](c2ccccc2)[C@H]2C(=O)N(c3ccccc3)N[C@@H]2C)S(=O)(=O)CC1[N+](=O)[O-]	ZINC000100929228	557202020	/nfs/dbraw/zinc/20/20/20/557202020.db2.gz	URKMBVGYVBCIRQ-GEALJGNFSA-N	0	0	441.509	2.674	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1	ZINC000014022870	557282503	/nfs/dbraw/zinc/28/25/03/557282503.db2.gz	VKAGZZJRPDSMBB-OAHLLOKOSA-N	0	0	433.486	2.951	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	ZINC000014019448	557282752	/nfs/dbraw/zinc/28/27/52/557282752.db2.gz	YCOCXLSHKAKJOG-CYBMUJFWSA-N	0	0	437.449	2.782	40	5		IFBBRN
COc1ccc(Cl)cc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000014154048	557310122	/nfs/dbraw/zinc/31/01/22/557310122.db2.gz	JTDVWSXGFKDIGN-UHFFFAOYSA-N	0	0	443.865	2.670	40	5		IFBBRN
O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@@H]2c1ccc(F)cc1	ZINC000102691606	557364193	/nfs/dbraw/zinc/36/41/93/557364193.db2.gz	TTXAYVNAUGHDQE-KZNAEPCWSA-N	0	0	430.823	2.923	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(Cl)c1C)S(C)(=O)=O	ZINC000408546920	557415815	/nfs/dbraw/zinc/41/58/15/557415815.db2.gz	HJOWAILGYKYCDB-UHFFFAOYSA-N	0	0	427.866	2.970	40	5		IFBBRN
CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)c([N+](=O)[O-])c1	ZINC000408571442	557418943	/nfs/dbraw/zinc/41/89/43/557418943.db2.gz	BEXXMKWEWUCTIM-UHFFFAOYSA-N	0	0	442.428	2.951	40	5		IFBBRN
CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)c([N+](=O)[O-])c1	ZINC000408575221	557419052	/nfs/dbraw/zinc/41/90/52/557419052.db2.gz	TVJBVUMIGNCEEI-UHFFFAOYSA-N	0	0	443.456	2.751	40	5		IFBBRN
O=[N+]([O-])c1ccc(Sc2nnc(CN3CCOCC3)n2-c2ccccc2)c2nonc21	ZINC000408607604	557421329	/nfs/dbraw/zinc/42/13/29/557421329.db2.gz	TZCTXPVYKRBQFB-UHFFFAOYSA-N	0	0	439.457	2.695	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O	ZINC000408617911	557422247	/nfs/dbraw/zinc/42/22/47/557422247.db2.gz	HRNHAOIZPJTGOT-OAHLLOKOSA-N	0	0	435.502	2.507	40	5		IFBBRN
CC(C)(C)NC(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000408630365	557424203	/nfs/dbraw/zinc/42/42/03/557424203.db2.gz	SJQVSACEVIJCSI-UHFFFAOYSA-N	0	0	448.501	2.528	40	5		IFBBRN
COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O	ZINC000408643529	557424833	/nfs/dbraw/zinc/42/48/33/557424833.db2.gz	AKYXLXVHHHKCIG-GFCCVEGCSA-N	0	0	447.831	2.792	40	5		IFBBRN
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1cccs1	ZINC000408651206	557425300	/nfs/dbraw/zinc/42/53/00/557425300.db2.gz	NGZATIJSTCFMSF-IYBDPMFKSA-N	0	0	439.449	2.848	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(C)=O)c2)c1	ZINC000408660643	557426043	/nfs/dbraw/zinc/42/60/43/557426043.db2.gz	BNYXGEQYDQDKRN-UHFFFAOYSA-N	0	0	443.412	2.707	40	5		IFBBRN
CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000408660541	557426091	/nfs/dbraw/zinc/42/60/91/557426091.db2.gz	AIFZNQRQPLDWKZ-UHFFFAOYSA-N	0	0	442.428	2.762	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1	ZINC000408670088	557427116	/nfs/dbraw/zinc/42/71/16/557427116.db2.gz	WPQYLRWNNRYPOR-HNNXBMFYSA-N	0	0	441.440	2.755	40	5		IFBBRN
COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000408663202	557427687	/nfs/dbraw/zinc/42/76/87/557427687.db2.gz	MEFSVTPKXDIKLC-UHFFFAOYSA-N	0	0	431.401	2.513	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O	ZINC000408670510	557427714	/nfs/dbraw/zinc/42/77/14/557427714.db2.gz	QTTQKRCWIPZCAW-LBPRGKRZSA-N	0	0	447.831	2.792	40	5		IFBBRN
O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccccc1[N+](=O)[O-]	ZINC000014269084	557428253	/nfs/dbraw/zinc/42/82/53/557428253.db2.gz	ZLOLWQSDYWJMOU-UHFFFAOYSA-N	0	0	449.876	2.993	40	5		IFBBRN
COc1ccc(OC)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000014269599	557428875	/nfs/dbraw/zinc/42/88/75/557428875.db2.gz	HCYKGALMJFWNOM-UHFFFAOYSA-N	0	0	446.485	2.575	40	5		IFBBRN
CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCOCC1	ZINC000026117473	557448716	/nfs/dbraw/zinc/44/87/16/557448716.db2.gz	AKUXNOIASKAMEX-UHFFFAOYSA-N	0	0	437.499	2.590	40	5		IFBBRN
Cc1ccc(N2C(=O)[C@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@H]34)C2O)c(C)c1	ZINC000104107983	557450118	/nfs/dbraw/zinc/45/01/18/557450118.db2.gz	DLBRFBSADBVILO-NCYKPQTJSA-N	0	0	444.447	2.809	40	5		IFBBRN
CCOC(=O)C=C(Nc1cc(I)ccc1[N+](=O)[O-])C(=O)OCC	ZINC000104118195	557450734	/nfs/dbraw/zinc/45/07/34/557450734.db2.gz	CLCDORVOPCMKQI-FLIBITNWSA-N	0	0	434.186	2.621	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1ccccc1C)S(C)(=O)=O	ZINC000222370018	568638559	/nfs/dbraw/zinc/63/85/59/568638559.db2.gz	QAISXUURHNGOSU-UHFFFAOYSA-N	0	0	435.502	2.774	40	5		IFBBRN
COc1ccc(CNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000222373853	568640459	/nfs/dbraw/zinc/64/04/59/568640459.db2.gz	AICPYMPMVDKPFE-UHFFFAOYSA-N	0	0	435.502	2.774	40	5		IFBBRN
CC[C@@H](C(=O)Nc1ccccc1C(=O)OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222515554	568649781	/nfs/dbraw/zinc/64/97/81/568649781.db2.gz	GGRPKPLQMIVKQU-KRWDZBQOSA-N	0	0	435.458	2.565	40	5		IFBBRN
CCOC(=O)c1cccc(NC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000222527681	568650479	/nfs/dbraw/zinc/65/04/79/568650479.db2.gz	VBLHFRRRPLRCJN-SFHVURJKSA-N	0	0	449.485	2.955	40	5		IFBBRN
CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222526090	568650538	/nfs/dbraw/zinc/65/05/38/568650538.db2.gz	RREXOMXNQIZXLA-KRWDZBQOSA-N	0	0	435.458	2.565	40	5		IFBBRN
CC[C@H](C(=O)NCc1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222534690	568651492	/nfs/dbraw/zinc/65/14/92/568651492.db2.gz	ZLVSOQAHMYEPNF-QGZVFWFLSA-N	0	0	435.502	2.773	40	5		IFBBRN
CC[C@H](C(=O)NCCc1ccccc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222543853	568652249	/nfs/dbraw/zinc/65/22/49/568652249.db2.gz	ZNMANYCJQQFRKL-QGZVFWFLSA-N	0	0	435.502	2.507	40	5		IFBBRN
CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222546509	568652280	/nfs/dbraw/zinc/65/22/80/568652280.db2.gz	RURBRBNCRKRZAG-QGZVFWFLSA-N	0	0	435.502	2.773	40	5		IFBBRN
CC[C@@H](C(=O)NCc1ccc(C)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222546442	568652344	/nfs/dbraw/zinc/65/23/44/568652344.db2.gz	RURBRBNCRKRZAG-KRWDZBQOSA-N	0	0	435.502	2.773	40	5		IFBBRN
CC[C@H](C(=O)NCc1ccccc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222546342	568652403	/nfs/dbraw/zinc/65/24/03/568652403.db2.gz	VKQGHCMOYPBRDE-QGZVFWFLSA-N	0	0	435.502	2.773	40	5		IFBBRN
COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1OC	ZINC000218261044	568741183	/nfs/dbraw/zinc/74/11/83/568741183.db2.gz	PDRHLBOLZRBIED-UHFFFAOYSA-N	0	0	443.865	2.670	40	5		IFBBRN
CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223099255	568779474	/nfs/dbraw/zinc/77/94/74/568779474.db2.gz	USWIUMFNJZIIMZ-GOSISDBHSA-N	0	0	429.473	2.844	40	5		IFBBRN
CCCSc1nnc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)s1	ZINC000223331314	568807330	/nfs/dbraw/zinc/80/73/30/568807330.db2.gz	UGIBWJJGMCYKHA-UHFFFAOYSA-N	0	0	445.548	2.662	40	5		IFBBRN
COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000016186295	568872195	/nfs/dbraw/zinc/87/21/95/568872195.db2.gz	QLFOWVMRVCRUCU-UHFFFAOYSA-N	0	0	429.433	2.540	40	5		IFBBRN
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccncc1	ZINC000102920171	568890615	/nfs/dbraw/zinc/89/06/15/568890615.db2.gz	IFJMFLKZNPWLKY-SZXQPVLSSA-N	0	0	445.479	2.851	40	5		IFBBRN
C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000060237299	568892593	/nfs/dbraw/zinc/89/25/93/568892593.db2.gz	KFRUDZOHZFJLLZ-HNAYVOBHSA-N	0	0	440.456	2.839	40	5		IFBBRN
CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000224087194	568904598	/nfs/dbraw/zinc/90/45/98/568904598.db2.gz	NDKJSBBCMLTHOF-INIZCTEOSA-N	0	0	429.473	2.578	40	5		IFBBRN
CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000224087143	568904608	/nfs/dbraw/zinc/90/46/08/568904608.db2.gz	NDKJSBBCMLTHOF-MRXNPFEDSA-N	0	0	429.473	2.578	40	5		IFBBRN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000224276018	568917024	/nfs/dbraw/zinc/91/70/24/568917024.db2.gz	OXFTWSHUKNWRIB-LFYBBSHMSA-N	0	0	445.497	2.588	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1	ZINC000138695246	569105836	/nfs/dbraw/zinc/10/58/36/569105836.db2.gz	LGSSOEWGQSXGOW-LBPRGKRZSA-N	0	0	447.831	2.792	40	5		IFBBRN
Cc1cc(O)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1C	ZINC000017096892	569172398	/nfs/dbraw/zinc/17/23/98/569172398.db2.gz	NFWZJCXVLUHLAC-UHFFFAOYSA-N	0	0	430.486	2.881	40	5		IFBBRN
CCc1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000017096908	569172583	/nfs/dbraw/zinc/17/25/83/569172583.db2.gz	LUNBWGSHRZCBHU-UHFFFAOYSA-N	0	0	430.486	2.826	40	5		IFBBRN
CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000017095793	569172721	/nfs/dbraw/zinc/17/27/21/569172721.db2.gz	WFJIFGKVIJJYPE-UHFFFAOYSA-N	0	0	428.470	2.761	40	5		IFBBRN
CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	ZINC000017095801	569172827	/nfs/dbraw/zinc/17/28/27/569172827.db2.gz	CDSICBSIPSRZPI-UHFFFAOYSA-N	0	0	428.470	2.761	40	5		IFBBRN
CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000224626597	569175893	/nfs/dbraw/zinc/17/58/93/569175893.db2.gz	VDQRFSICWGGMNP-IBGZPJMESA-N	0	0	443.500	2.968	40	5		IFBBRN
CCOC(=O)CN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224746434	569184668	/nfs/dbraw/zinc/18/46/68/569184668.db2.gz	VVVSQIGVMVAJHD-UHFFFAOYSA-N	0	0	436.442	2.530	40	5		IFBBRN
CCN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224791161	569187118	/nfs/dbraw/zinc/18/71/18/569187118.db2.gz	LPPDGENXUUKXTE-UHFFFAOYSA-N	0	0	438.458	2.922	40	5		IFBBRN
CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000224900070	569190533	/nfs/dbraw/zinc/19/05/33/569190533.db2.gz	UMKCVPTZIIDMLQ-UHFFFAOYSA-N	0	0	435.458	2.620	40	5		IFBBRN
CCN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000225093277	569215948	/nfs/dbraw/zinc/21/59/48/569215948.db2.gz	DEKVBODDUTUQML-UHFFFAOYSA-N	0	0	438.458	2.922	40	5		IFBBRN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSCc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000010287675	569222018	/nfs/dbraw/zinc/22/20/18/569222018.db2.gz	VZCXBYGQDVSSTH-UHFFFAOYSA-N	0	0	449.554	2.670	40	5		IFBBRN
CCOc1ccc([C@H]2c3c(-c4cccc([N+](=O)[O-])c4)n[nH]c(=O)c3Nc3nnnn32)cc1	ZINC000010296698	569222202	/nfs/dbraw/zinc/22/22/02/569222202.db2.gz	HBMNESBZABKHHR-SFHVURJKSA-N	0	0	432.400	2.837	40	5		IFBBRN
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1OC	ZINC000019009092	569226170	/nfs/dbraw/zinc/22/61/70/569226170.db2.gz	DOLRNUZNHWRBQU-UHFFFAOYSA-N	0	0	449.485	2.651	40	5		IFBBRN
CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1	ZINC000107724625	569251144	/nfs/dbraw/zinc/25/11/44/569251144.db2.gz	QSBRQIRURVMALW-UHFFFAOYSA-N	0	0	444.473	2.768	40	5		IFBBRN
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1cccc([N+](=O)[O-])c1	ZINC000109034454	569253521	/nfs/dbraw/zinc/25/35/21/569253521.db2.gz	KUBCCNSIKLKVEE-UHFFFAOYSA-N	0	0	449.876	2.993	40	5		IFBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)[nH]c(=O)c21	ZINC000253565086	569284286	/nfs/dbraw/zinc/28/42/86/569284286.db2.gz	HHCKIJBCQHWYSX-TZMCWYRMSA-N	0	0	440.460	2.842	40	5		IFBBRN
CS(=O)(=O)N(CC(=O)NCc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1	ZINC000225342899	569291283	/nfs/dbraw/zinc/29/12/83/569291283.db2.gz	ZMVGQSLNAYBPJT-UHFFFAOYSA-N	0	0	431.392	2.696	40	5		IFBBRN
CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3[C@@H]4C[C@@](C)(CC(C)(C)C4)[C@H]32)C1=O	ZINC000009087290	569293648	/nfs/dbraw/zinc/29/36/48/569293648.db2.gz	DHODMZNNQNKHKU-YHEJKZAPSA-N	0	0	440.500	2.961	40	5		IFBBRN
COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000113877745	569296956	/nfs/dbraw/zinc/29/69/56/569296956.db2.gz	POENLQUGUYDXHT-UHFFFAOYSA-N	0	0	429.248	2.726	40	5		IFBBRN
COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000113888720	569297025	/nfs/dbraw/zinc/29/70/25/569297025.db2.gz	BIMQXUHDDUDINL-UHFFFAOYSA-N	0	0	429.794	2.525	40	5		IFBBRN
CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000225406117	569297736	/nfs/dbraw/zinc/29/77/36/569297736.db2.gz	XXBPJOUETMGTOU-CYBMUJFWSA-N	0	0	435.864	2.799	40	5		IFBBRN
CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1ccc(O)c(OC)c1[N+](=O)[O-]	ZINC000261361630	569315666	/nfs/dbraw/zinc/31/56/66/569315666.db2.gz	AHGZILGXRIYPSB-KRWDZBQOSA-O	0	0	428.450	2.844	40	5		IFBBRN
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000019162884	569316355	/nfs/dbraw/zinc/31/63/55/569316355.db2.gz	BHUDFUHRQLDRFT-UHFFFAOYSA-N	0	0	425.850	2.521	40	5		IFBBRN
O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000019641405	569324977	/nfs/dbraw/zinc/32/49/77/569324977.db2.gz	HOYSPASQVCUBFE-UHFFFAOYSA-N	0	0	444.557	2.860	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1nnc(-c2ccccc2)s1)S(C)(=O)=O	ZINC000225612041	569405859	/nfs/dbraw/zinc/40/58/59/569405859.db2.gz	URIPCORDHMGYCW-UHFFFAOYSA-N	0	0	447.498	2.826	40	5		IFBBRN
CCCSc1nnc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1	ZINC000225731851	569407720	/nfs/dbraw/zinc/40/77/20/569407720.db2.gz	FCIIIDVGAXLNKC-SNVBAGLBSA-N	0	0	445.548	2.742	40	5		IFBBRN
Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)O2	ZINC000030945851	569451361	/nfs/dbraw/zinc/45/13/61/569451361.db2.gz	AZTSRBOOPNPEDX-MRXNPFEDSA-N	0	0	425.850	2.722	40	5		IFBBRN
C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000038828432	569469159	/nfs/dbraw/zinc/46/91/59/569469159.db2.gz	LCOBDVHVBIWIHU-JMSVASOKSA-N	0	0	440.460	2.510	40	5		IFBBRN
CC(C)C(=O)N1CCN(c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1	ZINC000032127696	519472334	/nfs/dbraw/zinc/47/23/34/519472334.db2.gz	ZAHGMSRJIQQPGV-UHFFFAOYSA-N	0	0	426.473	2.917	40	5		IFBBRN
CCCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1	ZINC000022391095	520384470	/nfs/dbraw/zinc/38/44/70/520384470.db2.gz	CKDAHVOKBXJXDS-UHFFFAOYSA-N	0	0	437.474	2.797	40	5		IFBBRN
CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020802127	521278506	/nfs/dbraw/zinc/27/85/06/521278506.db2.gz	IOTGKBWDFPBPKZ-MOPGFXCFSA-N	0	0	438.440	2.706	40	5		IFBBRN
CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000020802071	521278891	/nfs/dbraw/zinc/27/88/91/521278891.db2.gz	ZYBSJQKINYWSSO-MOPGFXCFSA-N	0	0	438.440	2.706	40	5		IFBBRN
Cc1ccccc1OC[C@H](C)NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000022375026	525310116	/nfs/dbraw/zinc/31/01/16/525310116.db2.gz	YRZYLTVNLBDRPX-INIZCTEOSA-N	0	0	435.502	2.561	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1C)S(C)(=O)=O	ZINC000022367484	525465800	/nfs/dbraw/zinc/46/58/00/525465800.db2.gz	AQEIDZISIFSLMV-HNNXBMFYSA-N	0	0	435.502	2.864	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)S(C)(=O)=O	ZINC000022367490	525466419	/nfs/dbraw/zinc/46/64/19/525466419.db2.gz	ZDBANQWCUFBBMV-HNNXBMFYSA-N	0	0	435.502	2.864	40	5		IFBBRN
O=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccccc2F)no1	ZINC000021454001	526330726	/nfs/dbraw/zinc/33/07/26/526330726.db2.gz	GMQLLKKTMXJDPI-UHFFFAOYSA-N	0	0	433.783	2.597	40	5		IFBBRN
O=C(NCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccccc2F)no1	ZINC000021453999	526331404	/nfs/dbraw/zinc/33/14/04/526331404.db2.gz	ACFFMHBXFBQJGV-UHFFFAOYSA-N	0	0	433.783	2.597	40	5		IFBBRN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(=C(C(=O)c3ccccc3)N3N=CC=C[C@@H]23)C1O	ZINC000009332806	555557084	/nfs/dbraw/zinc/55/70/84/555557084.db2.gz	DIKMEPIJUPGTNE-NMLBUPMWSA-N	0	0	430.420	2.500	40	5		IFBBRN
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccccc1	ZINC000408653941	556613406	/nfs/dbraw/zinc/61/34/06/556613406.db2.gz	QEALQNNXTZDKQW-KDURUIRLSA-N	0	0	433.420	2.786	40	5		IFBBRN
Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1[N+](=O)[O-]	ZINC000408653934	556613502	/nfs/dbraw/zinc/61/35/02/556613502.db2.gz	QDPOCLUHDLNFFA-CQSZACIVSA-N	0	0	427.369	2.590	40	5		IFBBRN
CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(OC)ccc3[N+](=O)[O-])CC2=O)cc1	ZINC000408657919	556613910	/nfs/dbraw/zinc/61/39/10/556613910.db2.gz	QAJNEERJULGIBL-HNNXBMFYSA-N	0	0	441.440	2.701	40	5		IFBBRN
O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccccc1	ZINC000408681707	556616852	/nfs/dbraw/zinc/61/68/52/556616852.db2.gz	IHGNBOWEGCZXMZ-CALCHBBNSA-N	0	0	433.420	2.786	40	5		IFBBRN
O=C(COC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000408736568	556619161	/nfs/dbraw/zinc/61/91/61/556619161.db2.gz	CTKHVRGLFJWCAH-QGZVFWFLSA-N	0	0	426.381	2.649	40	5		IFBBRN
Cc1ccccc1CSCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000409027883	556627729	/nfs/dbraw/zinc/62/77/29/556627729.db2.gz	IDXGRRJHJDCPNP-UHFFFAOYSA-N	0	0	437.543	2.719	40	5		IFBBRN
CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccccc1	ZINC000409131045	556631431	/nfs/dbraw/zinc/63/14/31/556631431.db2.gz	MUSZJDCAGZLIQY-UHFFFAOYSA-N	0	0	440.485	2.867	40	5		IFBBRN
COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)N(C)C1=S	ZINC000409215191	556634541	/nfs/dbraw/zinc/63/45/41/556634541.db2.gz	YGDTULIYBRXJBK-WQRHYEAKSA-N	0	0	441.465	2.747	40	5		IFBBRN
O=c1c2cc3c(ccn(CCc4ccccc4)c3=O)nc2ccn1CCCN1CCOCC1	ZINC000040398825	556640612	/nfs/dbraw/zinc/64/06/12/556640612.db2.gz	GKWUWTPTTJTEEB-UHFFFAOYSA-N	0	0	444.535	2.676	40	5		IFBBRN
COCCCn1ccc2nc3ccn(-c4nc(C5CCCCC5)n[nH]4)c(=O)c3cc2c1=O	ZINC000040399023	556641218	/nfs/dbraw/zinc/64/12/18/556641218.db2.gz	ZKXKONBSYMXJTA-UHFFFAOYSA-N	0	0	434.500	2.903	40	5		IFBBRN
CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccc3c(c2)OCO3)N[C@H](c2ccc3c(c2)OCO3)[C@@H]1[N+](=O)[O-]	ZINC000033929439	556742605	/nfs/dbraw/zinc/74/26/05/556742605.db2.gz	KOGKQDDNBIWGRO-ZRNYENFQSA-N	0	0	443.412	2.846	40	5		IFBBRN
COCc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCC[C@H](C)[C@H]5C)c(=O)c4cc3c2=O)n1	ZINC000040398999	556820588	/nfs/dbraw/zinc/82/05/88/556820588.db2.gz	ZEBJOQIMHOXXFJ-IQUTYRLHSA-N	0	0	434.500	2.962	40	5		IFBBRN
COc1cc(/C=C2\SC(=N)NC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000408764946	556829367	/nfs/dbraw/zinc/82/93/67/556829367.db2.gz	ULIYEEQDDGMDAD-NVNXTCNLSA-N	0	0	435.439	2.510	40	5		IFBBRN
COc1cc(OCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)ccc1[N+](=O)[O-]	ZINC000219823629	556917972	/nfs/dbraw/zinc/91/79/72/556917972.db2.gz	OJYMLNAWNUWAQT-HNNXBMFYSA-N	0	0	429.429	2.530	40	5		IFBBRN
COc1cc(OCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)ccc1[N+](=O)[O-]	ZINC000219823691	556918056	/nfs/dbraw/zinc/91/80/56/556918056.db2.gz	OJYMLNAWNUWAQT-OAHLLOKOSA-N	0	0	429.429	2.530	40	5		IFBBRN
O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc2c(c1)OCO2	ZINC000409152713	556978570	/nfs/dbraw/zinc/97/85/70/556978570.db2.gz	GDOBAUDAHCMDKG-FRKPEAEDSA-N	0	0	427.394	2.999	40	5		IFBBRN
COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1	ZINC000220216431	557011817	/nfs/dbraw/zinc/01/18/17/557011817.db2.gz	FWGPYXASNUPRNV-ZDUSSCGKSA-N	0	0	437.474	2.714	40	5		IFBBRN
COc1ccc(OC)c(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	ZINC000220216157	557011818	/nfs/dbraw/zinc/01/18/18/557011818.db2.gz	HFRVQEOUYKRLNF-CYBMUJFWSA-N	0	0	437.474	2.714	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(C)c(Cl)c1)S(C)(=O)=O	ZINC000409411414	557104541	/nfs/dbraw/zinc/10/45/41/557104541.db2.gz	WLJPXJPVRLEYAM-UHFFFAOYSA-N	0	0	427.866	2.970	40	5		IFBBRN
COc1ccc(OC)c(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	ZINC000220381627	557133880	/nfs/dbraw/zinc/13/38/80/557133880.db2.gz	CLWCZRHYYOGDOL-ZDUSSCGKSA-N	0	0	437.474	2.714	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCSCc1ccco1)S(C)(=O)=O	ZINC000220386706	557134191	/nfs/dbraw/zinc/13/41/91/557134191.db2.gz	OGKWVDYCHQXKQZ-CQSZACIVSA-N	0	0	441.531	2.700	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O	ZINC000220389905	557134630	/nfs/dbraw/zinc/13/46/30/557134630.db2.gz	DQBMUVOJENFNNY-ZDUSSCGKSA-N	0	0	436.446	2.913	40	5		IFBBRN
CCOC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220401901	557143477	/nfs/dbraw/zinc/14/34/77/557143477.db2.gz	PDIOPNYLUMOCMX-ZDUSSCGKSA-N	0	0	435.458	2.565	40	5		IFBBRN
COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c([N+](=O)[O-])c1	ZINC000014022883	557282730	/nfs/dbraw/zinc/28/27/30/557282730.db2.gz	YCYUAKSHELKHGN-HNNXBMFYSA-N	0	0	433.486	2.951	40	5		IFBBRN
Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220422981	557294432	/nfs/dbraw/zinc/29/44/32/557294432.db2.gz	YALUAKKRCDMBFY-HOTGVXAUSA-N	0	0	435.502	2.641	40	5		IFBBRN
Cc1ccc(C(=O)N2[C@H](C(=O)[O-])COC23CC[NH+](Cc2ccccc2)CC3)cc1[N+](=O)[O-]	ZINC000071980636	557333559	/nfs/dbraw/zinc/33/35/59/557333559.db2.gz	YCPAQARGPCXWQT-FQEVSTJZSA-N	0	0	439.468	2.821	40	5		IFBBRN
O=c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000100170971	557345649	/nfs/dbraw/zinc/34/56/49/557345649.db2.gz	NQTYRTCISNIAEE-UHFFFAOYSA-N	0	0	444.272	2.658	40	5		IFBBRN
COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1	ZINC000408666674	557426631	/nfs/dbraw/zinc/42/66/31/557426631.db2.gz	ONVQQQSMIJAKJI-UHFFFAOYSA-N	0	0	445.428	2.903	40	5		IFBBRN
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)cc(C)c2)CC1=O	ZINC000408667777	557427393	/nfs/dbraw/zinc/42/73/93/557427393.db2.gz	KTFWSVHDQVLAQL-HNNXBMFYSA-N	0	0	441.440	2.755	40	5		IFBBRN
O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1	ZINC000408661652	557427727	/nfs/dbraw/zinc/42/77/27/557427727.db2.gz	BRKLIAAKBXJMOH-UHFFFAOYSA-N	0	0	430.373	2.794	40	5		IFBBRN
CCCC[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O	ZINC000408663793	557427930	/nfs/dbraw/zinc/42/79/30/557427930.db2.gz	OWLWMMYUZMSGET-GOSISDBHSA-N	0	0	439.424	2.932	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1	ZINC000408651929	557428202	/nfs/dbraw/zinc/42/82/02/557428202.db2.gz	BSQFAMMOXVHINT-LBPRGKRZSA-N	0	0	447.831	2.792	40	5		IFBBRN
O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccc([N+](=O)[O-])c1	ZINC000014269086	557428258	/nfs/dbraw/zinc/42/82/58/557428258.db2.gz	QTOQURUAIYKDDB-UHFFFAOYSA-N	0	0	449.876	2.993	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(F)cc3)N3N=CC=C[C@H]23)C1O	ZINC000103562100	557438997	/nfs/dbraw/zinc/43/89/97/557438997.db2.gz	JYQKECMMEZRDPQ-MDNKFWRPSA-N	0	0	448.410	2.639	40	5		IFBBRN
CC(=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(=NNC(N)=S)c2ccccc2o1	ZINC000104298059	557454087	/nfs/dbraw/zinc/45/40/87/557454087.db2.gz	HXNDNUNHSNUWDD-STZFKDTASA-N	0	0	426.414	2.981	40	5		IFBBRN
COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000105394468	557497607	/nfs/dbraw/zinc/49/76/07/557497607.db2.gz	KQMXJPOVWMJZSK-UHFFFAOYSA-N	0	0	447.360	2.509	40	5		IFBBRN
CCOc1ccc([C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000044842504	557538516	/nfs/dbraw/zinc/53/85/16/557538516.db2.gz	HGRJEXVUERWNQO-OAHLLOKOSA-N	0	0	435.502	2.945	40	5		IFBBRN
Cc1ccccc1OCCNC(=O)CCCN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O	ZINC000224861349	557659523	/nfs/dbraw/zinc/65/95/23/557659523.db2.gz	ISVAINCSFOQCDZ-UHFFFAOYSA-N	0	0	449.529	2.953	40	5		IFBBRN
Cn1c(=O)nc2n(-c3ccc(Br)cc3)c3ccc([N+](=O)[O-])cc3cc-2c1=O	ZINC000059497857	557826344	/nfs/dbraw/zinc/82/63/44/557826344.db2.gz	ZAQWPJFKSYGTLM-UHFFFAOYSA-N	0	0	427.214	2.860	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N1CCc2ccccc2C1)S(C)(=O)=O	ZINC000222369923	568638458	/nfs/dbraw/zinc/63/84/58/568638458.db2.gz	HGFYTKRIHYWAQV-UHFFFAOYSA-N	0	0	447.513	2.735	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCc1ccccc1)S(C)(=O)=O	ZINC000222368673	568638528	/nfs/dbraw/zinc/63/85/28/568638528.db2.gz	QKSWQUBTTUWOQC-UHFFFAOYSA-N	0	0	435.502	2.509	40	5		IFBBRN
COc1ccccc1NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222369669	568638555	/nfs/dbraw/zinc/63/85/55/568638555.db2.gz	UMRIHGYTTKRLKZ-UHFFFAOYSA-N	0	0	437.474	2.797	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCN(C)c1ccccc1)S(C)(=O)=O	ZINC000222377752	568639645	/nfs/dbraw/zinc/63/96/45/568639645.db2.gz	XCRJMPDSKADGDC-UHFFFAOYSA-N	0	0	448.545	2.702	40	5		IFBBRN
CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222523897	568650289	/nfs/dbraw/zinc/65/02/89/568650289.db2.gz	KVLRMRSMNFTFBN-MRXNPFEDSA-N	0	0	436.446	2.995	40	5		IFBBRN
CCOC(=O)c1cccc(NC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000222527621	568650523	/nfs/dbraw/zinc/65/05/23/568650523.db2.gz	VBLHFRRRPLRCJN-GOSISDBHSA-N	0	0	449.485	2.955	40	5		IFBBRN
CC[C@@H](C(=O)Nc1ccccc1C(=O)OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222533346	568651486	/nfs/dbraw/zinc/65/14/86/568651486.db2.gz	XBADBWZGYUKVSW-KRWDZBQOSA-N	0	0	449.485	2.873	40	5		IFBBRN
CC[C@@H](C(=O)NCCSC(C)(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222547021	568652340	/nfs/dbraw/zinc/65/23/40/568652340.db2.gz	TZQCMEQPCKWHRX-AWEZNQCLSA-N	0	0	447.579	2.796	40	5		IFBBRN
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000222577716	568653402	/nfs/dbraw/zinc/65/34/02/568653402.db2.gz	PLJKPUAYNSYQEL-CYBMUJFWSA-N	0	0	435.864	2.799	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O	ZINC000222655317	568656496	/nfs/dbraw/zinc/65/64/96/568656496.db2.gz	HYRUFTVMTXBHHO-UHFFFAOYSA-N	0	0	425.438	2.927	40	5		IFBBRN
COc1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC	ZINC000222685551	568657283	/nfs/dbraw/zinc/65/72/83/568657283.db2.gz	WPTWQLQJZOKHIO-UHFFFAOYSA-N	0	0	437.474	2.797	40	5		IFBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000026780046	568739065	/nfs/dbraw/zinc/73/90/65/568739065.db2.gz	STTKLFMSMWAMPX-UHFFFAOYSA-N	0	0	440.865	2.913	40	5		IFBBRN
CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223006527	568775273	/nfs/dbraw/zinc/77/52/73/568775273.db2.gz	MUAFQVRRBUSOLZ-GOSISDBHSA-N	0	0	429.473	2.844	40	5		IFBBRN
CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223053026	568778405	/nfs/dbraw/zinc/77/84/05/568778405.db2.gz	WYPBVESOSLXLSO-SFHVURJKSA-N	0	0	429.473	2.844	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O	ZINC000223179151	568783628	/nfs/dbraw/zinc/78/36/28/568783628.db2.gz	ZRSVXASAYBCBAH-AWEZNQCLSA-N	0	0	447.513	2.736	40	5		IFBBRN
O=[N+]([O-])c1cccc(S(=O)(=O)NCc2nc(-c3cccc(Br)c3)no2)c1	ZINC000223769800	568877048	/nfs/dbraw/zinc/87/70/48/568877048.db2.gz	VEETWGIJBLGTIE-UHFFFAOYSA-N	0	0	439.247	2.886	40	5		IFBBRN
CC(C)(C)c1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000223776281	568877335	/nfs/dbraw/zinc/87/73/35/568877335.db2.gz	WTHILNLVZPLWKJ-UHFFFAOYSA-N	0	0	449.529	2.854	40	5		IFBBRN
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1	ZINC000223770687	568877346	/nfs/dbraw/zinc/87/73/46/568877346.db2.gz	ILMCNBGJFAAOCA-UHFFFAOYSA-N	0	0	439.247	2.886	40	5		IFBBRN
CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223827347	568877407	/nfs/dbraw/zinc/87/74/07/568877407.db2.gz	SQMHRNKKDYZKFI-AWEZNQCLSA-N	0	0	433.436	2.675	40	5		IFBBRN
Cc1cccc(OCCNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1C	ZINC000223954492	568879983	/nfs/dbraw/zinc/87/99/83/568879983.db2.gz	GHLCQWDELMKBPZ-QGZVFWFLSA-N	0	0	449.529	2.870	40	5		IFBBRN
Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2c1	ZINC000006300338	568882128	/nfs/dbraw/zinc/88/21/28/568882128.db2.gz	DJZZKUBDYHJVLK-UHFFFAOYSA-N	0	0	445.497	2.626	40	5		IFBBRN
Cc1ccc(C)c(OCCNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	ZINC000224034617	568886034	/nfs/dbraw/zinc/88/60/34/568886034.db2.gz	HREOAQNNGPKGNP-KRWDZBQOSA-N	0	0	449.529	2.870	40	5		IFBBRN
CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000224129846	568905922	/nfs/dbraw/zinc/90/59/22/568905922.db2.gz	IPXKOSAQCFYXQF-SFHVURJKSA-N	0	0	429.473	2.926	40	5		IFBBRN
CCOC(=O)C1=C(N)O[C@H]2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000016682558	568937311	/nfs/dbraw/zinc/93/73/11/568937311.db2.gz	XJJJMFWPPXFHSX-HRCADAONSA-N	0	0	433.417	2.724	40	5		IFBBRN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(F)cc3)N3CCC[C@H]23)C1O	ZINC000036322419	569000646	/nfs/dbraw/zinc/00/06/46/569000646.db2.gz	WIQMGZPVMIKVIS-WCIQWLHISA-N	0	0	437.427	2.877	40	5		IFBBRN
CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1	ZINC000139054839	569138077	/nfs/dbraw/zinc/13/80/77/569138077.db2.gz	RWCUNPIQMBAHQD-OAHLLOKOSA-N	0	0	441.440	2.701	40	5		IFBBRN
CO[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1	ZINC000017046068	569171321	/nfs/dbraw/zinc/17/13/21/569171321.db2.gz	NGKKKFKTIZCIEN-RCCFBDPRSA-N	0	0	446.368	2.647	40	5		IFBBRN
CCOc1ccccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000017096906	569172513	/nfs/dbraw/zinc/17/25/13/569172513.db2.gz	FYKUNRNYABNCEX-UHFFFAOYSA-N	0	0	430.486	2.957	40	5		IFBBRN
COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Br)cc1	ZINC000224734752	569184194	/nfs/dbraw/zinc/18/41/94/569184194.db2.gz	XPYJVAJBLFDWHI-UHFFFAOYSA-N	0	0	429.248	2.726	40	5		IFBBRN
Cc1ccccc1OCCNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000224819798	569187659	/nfs/dbraw/zinc/18/76/59/569187659.db2.gz	CASMPBQCUFOYHQ-UHFFFAOYSA-N	0	0	435.502	2.645	40	5		IFBBRN
Cc1c(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	ZINC000224929119	569192490	/nfs/dbraw/zinc/19/24/90/569192490.db2.gz	ACUIZGNGBRFKEG-UHFFFAOYSA-N	0	0	432.502	2.908	40	5		IFBBRN
COC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225015281	569213442	/nfs/dbraw/zinc/21/34/42/569213442.db2.gz	BROHUBXADHFYRC-UHFFFAOYSA-N	0	0	444.849	2.634	40	5		IFBBRN
CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000225067046	569215224	/nfs/dbraw/zinc/21/52/24/569215224.db2.gz	DUTYBGFGXYHUKI-KRWDZBQOSA-N	0	0	443.500	2.968	40	5		IFBBRN
COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000010323813	569222929	/nfs/dbraw/zinc/22/29/29/569222929.db2.gz	GLUFXBQVUSWALP-UHFFFAOYSA-N	0	0	437.449	2.782	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O	ZINC000010335990	569223493	/nfs/dbraw/zinc/22/34/93/569223493.db2.gz	BZGKCVQTMKTJHQ-UHFFFAOYSA-N	0	0	442.837	2.870	40	5		IFBBRN
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1	ZINC000021186944	569241609	/nfs/dbraw/zinc/24/16/09/569241609.db2.gz	OJCWEQMQEWRBCZ-HNNXBMFYSA-N	0	0	433.486	2.951	40	5		IFBBRN
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)o1	ZINC000108927253	569253249	/nfs/dbraw/zinc/25/32/49/569253249.db2.gz	AMHCOOUEBIXCKL-BOPFTXTBSA-N	0	0	436.380	2.858	40	5		IFBBRN
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1	ZINC000008843235	569291202	/nfs/dbraw/zinc/29/12/02/569291202.db2.gz	JYSHPOZBFNJAAJ-CMKMFDCUSA-N	0	0	431.404	2.931	40	5		IFBBRN
CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	ZINC000008902618	569292208	/nfs/dbraw/zinc/29/22/08/569292208.db2.gz	LQFDMHRBRMKBEZ-UHFFFAOYSA-N	0	0	430.486	2.957	40	5		IFBBRN
CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]4C[C@](C)(CC(C)(C)C4)[C@H]32)C1=O	ZINC000009087291	569293680	/nfs/dbraw/zinc/29/36/80/569293680.db2.gz	DHODMZNNQNKHKU-ULYRPOKDSA-N	0	0	440.500	2.961	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(F)cc3)N3N=CC=C[C@@H]23)C1O	ZINC000009312296	569295209	/nfs/dbraw/zinc/29/52/09/569295209.db2.gz	JYQKECMMEZRDPQ-FFGOWVMKSA-N	0	0	448.410	2.639	40	5		IFBBRN
O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000021450122	569386086	/nfs/dbraw/zinc/38/60/86/569386086.db2.gz	YIZZEPUALFSNOG-HNNXBMFYSA-N	0	0	428.876	2.950	40	5		IFBBRN
CCSc1nnc(NC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1	ZINC000225836186	569409335	/nfs/dbraw/zinc/40/93/35/569409335.db2.gz	RAPSNHATLXHAFT-GFCCVEGCSA-N	0	0	445.548	2.742	40	5		IFBBRN
C[C@H]1CCC[C@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000038828492	569469154	/nfs/dbraw/zinc/46/91/54/569469154.db2.gz	VAFJVBLMCARFIL-HUBLWGQQSA-N	0	0	440.460	2.510	40	5		IFBBRN
CS(=O)(=O)N1CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccc(Cl)cc21	ZINC000038853980	569469262	/nfs/dbraw/zinc/46/92/62/569469262.db2.gz	HJXJASPYPWQQOH-MRXNPFEDSA-N	0	0	425.850	2.804	40	5		IFBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21	ZINC000040399728	569501186	/nfs/dbraw/zinc/50/11/86/569501186.db2.gz	LIUCDDYBCBCMGW-CQSZACIVSA-N	0	0	438.375	2.625	40	5		IFBBRN
O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21	ZINC000040399720	569501188	/nfs/dbraw/zinc/50/11/88/569501188.db2.gz	QJLIKTVTLWPWJB-GFCCVEGCSA-N	0	0	438.375	2.625	40	5		IFBBRN
O=C(C[NH+]1CCCCCC1)Nc1ccc(S(=O)(=O)[N-]c2ncc([N+](=O)[O-])s2)cc1	ZINC000016806090	569583363	/nfs/dbraw/zinc/58/33/63/569583363.db2.gz	CAIZFCQOOOLMTG-UHFFFAOYSA-N	0	0	439.519	2.667	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC(C)(C)Cc1ccccc1)S(C)(=O)=O	ZINC000223253010	193957192	/nfs/dbraw/zinc/95/71/92/193957192.db2.gz	OVXYUNSUBZYWHS-UHFFFAOYSA-N	0	0	435.502	2.507	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1cc(C)ccc1C)S(C)(=O)=O	ZINC000022367143	525466783	/nfs/dbraw/zinc/46/67/83/525466783.db2.gz	RXJBMLBFGIOZNL-OAHLLOKOSA-N	0	0	435.502	2.864	40	5		IFBBRN
CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1	ZINC000035079349	555725667	/nfs/dbraw/zinc/72/56/67/555725667.db2.gz	ZIMLSLDTHBAUCH-UHFFFAOYSA-N	0	0	427.866	2.954	40	5		IFBBRN
O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	ZINC000035239950	556035759	/nfs/dbraw/zinc/03/57/59/556035759.db2.gz	SEWABQKNLVWSQY-UHFFFAOYSA-N	0	0	444.919	2.976	40	5		IFBBRN
COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000016347356	556601615	/nfs/dbraw/zinc/60/16/15/556601615.db2.gz	ZFWIHQYCFIGJAG-UHFFFAOYSA-N	0	0	427.866	2.824	40	5		IFBBRN
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1	ZINC000408655624	556613641	/nfs/dbraw/zinc/61/36/41/556613641.db2.gz	HWCLVYRYQVNIFE-RTBURBONSA-N	0	0	449.419	2.846	40	5		IFBBRN
O=C(COC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000408736567	556618878	/nfs/dbraw/zinc/61/88/78/556618878.db2.gz	CTKHVRGLFJWCAH-KRWDZBQOSA-N	0	0	426.381	2.649	40	5		IFBBRN
CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000408759759	556619730	/nfs/dbraw/zinc/61/97/30/556619730.db2.gz	LCOHMJQSTDGLCN-SXGWCWSVSA-N	0	0	449.466	2.900	40	5		IFBBRN
O=C([O-])[C@@H]1CS[C@@H](c2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)N1	ZINC000408990166	556627155	/nfs/dbraw/zinc/62/71/55/556627155.db2.gz	JSCZCZHJASCGHL-WFASDCNBSA-N	0	0	430.471	2.510	40	5		IFBBRN
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccccc3[N+](=O)[O-])sc2=N1	ZINC000409041719	556629218	/nfs/dbraw/zinc/62/92/18/556629218.db2.gz	JIDCFKFISKPEAI-MTGKDYNDSA-N	0	0	449.488	2.707	40	5		IFBBRN
Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2ccccc2[N+](=O)[O-])c(=S)n1C	ZINC000409160490	556631267	/nfs/dbraw/zinc/63/12/67/556631267.db2.gz	YUXNFWQCKYAQLU-UHFFFAOYSA-N	0	0	440.485	2.736	40	5		IFBBRN
Cc1cc2nc3s/c(=C/c4cc([N+](=O)[O-])ccc4N4CCOCC4)c(=O)n3c2cc1C	ZINC000409389080	556639099	/nfs/dbraw/zinc/63/90/99/556639099.db2.gz	AHWFUPWBOGIACV-UDWIEESQSA-N	0	0	436.493	2.819	40	5		IFBBRN
CCSc1n[nH]c(-n2ccc3nc4ccn(-c5ccc(OC)cc5)c(=O)c4cc3c2=O)n1	ZINC000040398941	556641216	/nfs/dbraw/zinc/64/12/16/556641216.db2.gz	ULXIOCHFNPDQMK-UHFFFAOYSA-N	0	0	446.492	2.929	40	5		IFBBRN
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)c1ccccc1	ZINC000013856825	556746697	/nfs/dbraw/zinc/74/66/97/556746697.db2.gz	KCZSTMOPZYQNSH-JWWGGVBKSA-N	0	0	445.431	2.642	40	5		IFBBRN
Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@H]34)C2O)c(C)c1	ZINC000002250871	556799720	/nfs/dbraw/zinc/79/97/20/556799720.db2.gz	DLBRFBSADBVILO-MHTWAQMVSA-N	0	0	444.447	2.809	40	5		IFBBRN
Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c1	ZINC000409059801	556936812	/nfs/dbraw/zinc/93/68/12/556936812.db2.gz	XMNQFSSPLXHNSW-UHFFFAOYSA-N	0	0	440.485	2.693	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O	ZINC000409125052	556964703	/nfs/dbraw/zinc/96/47/03/556964703.db2.gz	BTFRXJRTCAEREX-UHFFFAOYSA-N	0	0	427.866	2.970	40	5		IFBBRN
COc1ccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1OC	ZINC000220235606	557019643	/nfs/dbraw/zinc/01/96/43/557019643.db2.gz	ZSCBFDQCBUVXCQ-ZDUSSCGKSA-N	0	0	437.474	2.714	40	5		IFBBRN
COc1cccc(CCCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000220416646	557149758	/nfs/dbraw/zinc/14/97/58/557149758.db2.gz	DVFNPHLOTBIYFT-HNNXBMFYSA-N	0	0	435.502	2.507	40	5		IFBBRN
CC(C)Oc1ccc(CNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000220419980	557150174	/nfs/dbraw/zinc/15/01/74/557150174.db2.gz	ZPNHEWOTRSSDNV-HNNXBMFYSA-N	0	0	435.502	2.853	40	5		IFBBRN
CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3ccccc3Cl)c(O)c12	ZINC000100942496	557203073	/nfs/dbraw/zinc/20/30/73/557203073.db2.gz	QLVUYWXSVLLTJQ-DOTOQJQBSA-N	0	0	442.815	2.546	40	5		IFBBRN
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c([N+](=O)[O-])c1	ZINC000014022880	557282524	/nfs/dbraw/zinc/28/25/24/557282524.db2.gz	YCYUAKSHELKHGN-OAHLLOKOSA-N	0	0	433.486	2.951	40	5		IFBBRN
COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C1=O)CC2	ZINC000102332258	557319020	/nfs/dbraw/zinc/31/90/20/557319020.db2.gz	ZUIJEPQFBAFKLW-SFHVURJKSA-N	0	0	425.441	2.611	40	5		IFBBRN
O=C([O-])[C@H]1COC2(CC[NH+](Cc3ccccc3)CC2)N1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000071980579	557333514	/nfs/dbraw/zinc/33/35/14/557333514.db2.gz	BHCYLYKRQYAGFW-LJQANCHMSA-N	0	0	425.441	2.513	40	5		IFBBRN
O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@H]2c1ccc(F)cc1	ZINC000102691604	557364354	/nfs/dbraw/zinc/36/43/54/557364354.db2.gz	TTXAYVNAUGHDQE-FGTMMUONSA-N	0	0	430.823	2.923	40	5		IFBBRN
COc1ccc(NC(=O)C2=C(C)N=C3N=CNN3[C@@H]2c2cccc([N+](=O)[O-])c2)c(OC)c1	ZINC000408557574	557416121	/nfs/dbraw/zinc/41/61/21/557416121.db2.gz	OUAXGVYXSUBIPR-LJQANCHMSA-N	0	0	436.428	2.784	40	5		IFBBRN
CCOC(=O)c1ccc(N2CCN(C(=O)c3c(OC)cccc3OC)CC2)c([N+](=O)[O-])c1	ZINC000408576941	557419661	/nfs/dbraw/zinc/41/96/61/557419661.db2.gz	YYYNYABQALIJON-UHFFFAOYSA-N	0	0	443.456	2.751	40	5		IFBBRN
CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])c1	ZINC000408572020	557419945	/nfs/dbraw/zinc/41/99/45/557419945.db2.gz	GEGBGRDENWDHJL-UHFFFAOYSA-N	0	0	441.440	2.505	40	5		IFBBRN
CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)c([N+](=O)[O-])c1	ZINC000408571782	557419977	/nfs/dbraw/zinc/41/99/77/557419977.db2.gz	FYEZZNCWBMUCHN-UHFFFAOYSA-N	0	0	442.428	2.951	40	5		IFBBRN
CO[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1	ZINC000004974943	557420678	/nfs/dbraw/zinc/42/06/78/557420678.db2.gz	NGKKKFKTIZCIEN-SQNIBIBYSA-N	0	0	446.368	2.647	40	5		IFBBRN
O=Cc1ccc(Sc2nnc(CN3CCOCC3)n2-c2ccccc2)c([N+](=O)[O-])c1	ZINC000408607764	557421386	/nfs/dbraw/zinc/42/13/86/557421386.db2.gz	UQUUEYKIDKCKCB-UHFFFAOYSA-N	0	0	425.470	2.971	40	5		IFBBRN
CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000408597674	557421957	/nfs/dbraw/zinc/42/19/57/557421957.db2.gz	VTAZQCJQKCQFRD-LLVKDONJSA-N	0	0	427.866	2.952	40	5		IFBBRN
CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1	ZINC000408639934	557424210	/nfs/dbraw/zinc/42/42/10/557424210.db2.gz	HNTVVINOPCWMOI-CQSZACIVSA-N	0	0	427.413	2.772	40	5		IFBBRN
COc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1	ZINC000408641850	557424505	/nfs/dbraw/zinc/42/45/05/557424505.db2.gz	DDLJAYCEVWOQMD-UKRRQHHQSA-N	0	0	442.424	2.780	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)c1	ZINC000408642957	557424699	/nfs/dbraw/zinc/42/46/99/557424699.db2.gz	PZWHYZHUUJIOGX-NSHDSACASA-N	0	0	430.373	2.512	40	5		IFBBRN
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1cccs1	ZINC000408651204	557425321	/nfs/dbraw/zinc/42/53/21/557425321.db2.gz	NGZATIJSTCFMSF-HOTGVXAUSA-N	0	0	439.449	2.848	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccccc2OC)c1	ZINC000408660616	557426101	/nfs/dbraw/zinc/42/61/01/557426101.db2.gz	BFPTYVFCQBRHKO-UHFFFAOYSA-N	0	0	431.401	2.513	40	5		IFBBRN
CC(=O)Nc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000408670309	557427344	/nfs/dbraw/zinc/42/73/44/557427344.db2.gz	ZHRYCAGPPLWQAG-UHFFFAOYSA-N	0	0	442.428	2.844	40	5		IFBBRN
O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)Nc1ccccc1	ZINC000106708935	557531745	/nfs/dbraw/zinc/53/17/45/557531745.db2.gz	QQMYLHTTYWWIKY-APSNUPSMSA-N	0	0	427.394	2.999	40	5		IFBBRN
CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000225406157	557719172	/nfs/dbraw/zinc/71/91/72/557719172.db2.gz	XXBPJOUETMGTOU-ZDUSSCGKSA-N	0	0	435.864	2.799	40	5		IFBBRN
COC(=O)c1cccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000222365440	568638285	/nfs/dbraw/zinc/63/82/85/568638285.db2.gz	XNCCSLKZECUDCH-UHFFFAOYSA-N	0	0	435.458	2.566	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N(C)Cc1ccccc1)S(C)(=O)=O	ZINC000222368585	568638468	/nfs/dbraw/zinc/63/84/68/568638468.db2.gz	OJHZNKYTUNGZPM-UHFFFAOYSA-N	0	0	435.502	2.808	40	5		IFBBRN
COC(=O)c1ccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000222373172	568640417	/nfs/dbraw/zinc/64/04/17/568640417.db2.gz	HZGYWNAJDLKILO-UHFFFAOYSA-N	0	0	449.485	2.875	40	5		IFBBRN
CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222516800	568649979	/nfs/dbraw/zinc/64/99/79/568649979.db2.gz	NQDVJGQLUZRWGL-QGZVFWFLSA-N	0	0	435.458	2.565	40	5		IFBBRN
CC[C@@H](C(=O)NCCc1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222518829	568650067	/nfs/dbraw/zinc/65/00/67/568650067.db2.gz	BEPPJHUBJAGMNX-IBGZPJMESA-N	0	0	435.502	2.507	40	5		IFBBRN
CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222523179	568650295	/nfs/dbraw/zinc/65/02/95/568650295.db2.gz	DZHNVJJWWOQDLA-GOSISDBHSA-N	0	0	449.485	2.873	40	5		IFBBRN
CC[C@H](C(=O)NCCSCc1ccco1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222520848	568650312	/nfs/dbraw/zinc/65/03/12/568650312.db2.gz	BYCXZDDHQCWJIQ-QGZVFWFLSA-N	0	0	441.531	2.782	40	5		IFBBRN
CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000222529031	568650539	/nfs/dbraw/zinc/65/05/39/568650539.db2.gz	ILDWLEXEGAMCEQ-CYBMUJFWSA-N	0	0	435.864	2.799	40	5		IFBBRN
CCOc1ccc(CNC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000222527985	568650540	/nfs/dbraw/zinc/65/05/40/568650540.db2.gz	PSAFUVNNDUDITN-IBGZPJMESA-N	0	0	435.502	2.855	40	5		IFBBRN
CC[C@@H](C(=O)N(C)Cc1ccccc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222543627	568652068	/nfs/dbraw/zinc/65/20/68/568652068.db2.gz	QNGFGJPXKAIZDC-KRWDZBQOSA-N	0	0	435.502	2.807	40	5		IFBBRN
CC[C@H](C(=O)N1CCc2ccccc2C1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222546193	568652277	/nfs/dbraw/zinc/65/22/77/568652277.db2.gz	YBPLUNXNNIGKFY-GOSISDBHSA-N	0	0	447.513	2.733	40	5		IFBBRN
COC(=O)c1cn(C(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc12	ZINC000222632888	568655864	/nfs/dbraw/zinc/65/58/64/568655864.db2.gz	MAEUCKDOPUKWTN-CYBMUJFWSA-N	0	0	445.453	2.831	40	5		IFBBRN
COC(=O)c1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000222685818	568657215	/nfs/dbraw/zinc/65/72/15/568657215.db2.gz	RBUXUJIHRGISRX-UHFFFAOYSA-N	0	0	435.458	2.566	40	5		IFBBRN
COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c(OC)c1	ZINC000218259663	568741199	/nfs/dbraw/zinc/74/11/99/568741199.db2.gz	ISALZSAXEABPNT-UHFFFAOYSA-N	0	0	443.865	2.670	40	5		IFBBRN
CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223497073	568849951	/nfs/dbraw/zinc/84/99/51/568849951.db2.gz	JRUFSNBXCCYVJG-SFHVURJKSA-N	0	0	429.473	2.578	40	5		IFBBRN
COc1ccc(S(=O)(=O)NCC(=O)OCc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1	ZINC000016215655	568873004	/nfs/dbraw/zinc/87/30/04/568873004.db2.gz	AWROYLYBIQQQNY-UHFFFAOYSA-N	0	0	449.268	2.932	40	5		IFBBRN
CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223631834	568876018	/nfs/dbraw/zinc/87/60/18/568876018.db2.gz	JTYROKHVSIGDRX-MRXNPFEDSA-N	0	0	429.473	2.844	40	5		IFBBRN
CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000223676516	568876181	/nfs/dbraw/zinc/87/61/81/568876181.db2.gz	ZIOALXHOJRUBJG-MRXNPFEDSA-N	0	0	429.473	2.844	40	5		IFBBRN
CCCc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000223776551	568877282	/nfs/dbraw/zinc/87/72/82/568877282.db2.gz	DAQKYGGEDDUGNG-UHFFFAOYSA-N	0	0	435.502	2.509	40	5		IFBBRN
Cc1nc([N+](=O)[O-])cn1C(=O)Nc1ccc(C)c(NC(=O)n2cc([N+](=O)[O-])nc2C)c1	ZINC000016347651	568877608	/nfs/dbraw/zinc/87/76/08/568877608.db2.gz	LBBKADHRKYFCAJ-UHFFFAOYSA-N	0	0	428.365	2.982	40	5		IFBBRN
CC[C@@H](C(=O)NCCOc1cccc(C)c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000223957058	568879858	/nfs/dbraw/zinc/87/98/58/568879858.db2.gz	NUDVBDAGGAYJOJ-IBGZPJMESA-N	0	0	449.529	2.951	40	5		IFBBRN
CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000223986026	568880348	/nfs/dbraw/zinc/88/03/48/568880348.db2.gz	KOABSPKPJAEHGI-QGZVFWFLSA-N	0	0	437.474	2.795	40	5		IFBBRN
Cc1ccc(C)c(OCCNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	ZINC000224034559	568886021	/nfs/dbraw/zinc/88/60/21/568886021.db2.gz	HREOAQNNGPKGNP-QGZVFWFLSA-N	0	0	449.529	2.870	40	5		IFBBRN
Cc1ccc(C)c(OCCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000224034754	568886069	/nfs/dbraw/zinc/88/60/69/568886069.db2.gz	JQJQSRYWDQPYLC-INIZCTEOSA-N	0	0	435.502	2.561	40	5		IFBBRN
CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000224043804	568887605	/nfs/dbraw/zinc/88/76/05/568887605.db2.gz	OKFMYBHRDHFSRS-OAHLLOKOSA-N	0	0	445.472	2.544	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccccc1Cl)S(C)(=O)=O	ZINC000224057910	568889489	/nfs/dbraw/zinc/88/94/89/568889489.db2.gz	JOKUEZGLADAJDL-UHFFFAOYSA-N	0	0	441.893	2.518	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)c1	ZINC000138596140	569086290	/nfs/dbraw/zinc/08/62/90/569086290.db2.gz	PECGHGBMDNWRQD-UHFFFAOYSA-N	0	0	443.412	2.707	40	5		IFBBRN
COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000138928938	569130389	/nfs/dbraw/zinc/13/03/89/569130389.db2.gz	TZRRZWWSNBTZET-UHFFFAOYSA-N	0	0	443.412	2.672	40	5		IFBBRN
CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000139111752	569138564	/nfs/dbraw/zinc/13/85/64/569138564.db2.gz	PRLYQHUUWUJINA-DZGCQCFKSA-N	0	0	440.460	2.512	40	5		IFBBRN
CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000017097507	569172739	/nfs/dbraw/zinc/17/27/39/569172739.db2.gz	BGOGNTLGVZYSNR-UHFFFAOYSA-N	0	0	431.499	2.945	40	5		IFBBRN
CCOc1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000017096893	569172841	/nfs/dbraw/zinc/17/28/41/569172841.db2.gz	NNDQPGCPLSJVEE-UHFFFAOYSA-N	0	0	430.486	2.957	40	5		IFBBRN
CC(=O)c1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1	ZINC000017095794	569173059	/nfs/dbraw/zinc/17/30/59/569173059.db2.gz	YDDHGYHNZAGWRF-UHFFFAOYSA-N	0	0	428.470	2.761	40	5		IFBBRN
COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1	ZINC000224661064	569178978	/nfs/dbraw/zinc/17/89/78/569178978.db2.gz	ZBNUEACBUISFIC-UHFFFAOYSA-N	0	0	428.850	2.934	40	5		IFBBRN
CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000224662086	569179077	/nfs/dbraw/zinc/17/90/77/569179077.db2.gz	RMWZDEJHFZNSDM-MRXNPFEDSA-N	0	0	429.473	2.926	40	5		IFBBRN
COC(=O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224757664	569185159	/nfs/dbraw/zinc/18/51/59/569185159.db2.gz	IETCUZAAGKNMHI-UHFFFAOYSA-N	0	0	447.238	2.865	40	5		IFBBRN
CS(=O)(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1	ZINC000224865160	569190338	/nfs/dbraw/zinc/19/03/38/569190338.db2.gz	SHVLOCOMVRKNFK-UHFFFAOYSA-N	0	0	433.364	2.898	40	5		IFBBRN
O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1	ZINC000010317717	569222934	/nfs/dbraw/zinc/22/29/34/569222934.db2.gz	UQFZTBHLATWERR-UHFFFAOYSA-N	0	0	426.834	2.594	40	5		IFBBRN
CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O	ZINC000010860760	569224631	/nfs/dbraw/zinc/22/46/31/569224631.db2.gz	LGZJDVQDJQUWGM-GOSISDBHSA-N	0	0	439.424	2.787	40	5		IFBBRN
C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2	ZINC000059816861	569249678	/nfs/dbraw/zinc/24/96/78/569249678.db2.gz	LCOBDVHVBIWIHU-LALPHHSUSA-N	0	0	440.460	2.510	40	5		IFBBRN
CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000008831678	569290887	/nfs/dbraw/zinc/29/08/87/569290887.db2.gz	FYVMIJQNUWQOST-UHFFFAOYSA-N	0	0	441.513	2.780	40	5		IFBBRN
CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	ZINC000010445674	569300119	/nfs/dbraw/zinc/30/01/19/569300119.db2.gz	DOLSEPOYEDBAQO-UHFFFAOYSA-N	0	0	449.485	2.793	40	5		IFBBRN
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000020112096	569334401	/nfs/dbraw/zinc/33/44/01/569334401.db2.gz	GTYRGIMVZOUCIN-UHFFFAOYSA-N	0	0	427.504	2.567	40	5		IFBBRN
O=[N+]([O-])c1ccc2c(c1)ncn2S(=O)(=O)c1ccc(I)cc1	ZINC000096305698	569392075	/nfs/dbraw/zinc/39/20/75/569392075.db2.gz	XVJUCBYUTFRGJY-UHFFFAOYSA-N	0	0	429.195	2.786	40	5		IFBBRN
Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000002735633	569419023	/nfs/dbraw/zinc/41/90/23/569419023.db2.gz	BWRPGNPGRXVHKB-UHFFFAOYSA-N	0	0	444.320	2.987	40	5		IFBBRN
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1[N+](=O)[O-]	ZINC000040399228	569501180	/nfs/dbraw/zinc/50/11/80/569501180.db2.gz	GUCKOSCRJKMBHL-AWEZNQCLSA-N	0	0	434.412	2.795	40	5		IFBBRN
COC(=O)c1sc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc1C	ZINC000034837599	569583782	/nfs/dbraw/zinc/58/37/82/569583782.db2.gz	WKEMMVHEBRFSEG-UHFFFAOYSA-N	0	0	446.466	3.533	40	5		IFBBRN
CCOC(=O)N(C)C(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-]	ZINC000016697244	132357078	/nfs/dbraw/zinc/35/70/78/132357078.db2.gz	NQCYDBTZTWAHMD-UHFFFAOYSA-N	0	0	436.465	2.880	40	5		IFBBRN
CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000020802368	521093927	/nfs/dbraw/zinc/09/39/27/521093927.db2.gz	MKKSNLBGWHOXHE-OALUTQOASA-N	0	0	438.440	2.706	40	5		IFBBRN
COC(=O)c1ccc(NC(=S)N2CCC(NC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000012499960	522124743	/nfs/dbraw/zinc/12/47/43/522124743.db2.gz	CNOVKZCGDRQWBO-UHFFFAOYSA-N	0	0	442.497	2.973	40	5		IFBBRN
Cc1ccc(Cn2ccsc2=NC(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1	ZINC000012649310	524775725	/nfs/dbraw/zinc/77/57/25/524775725.db2.gz	ITGUIJHAQZXZRC-XDOYNYLZSA-N	0	0	426.454	2.681	40	5		IFBBRN
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(Sc3nc4ccccc4[nH]3)c2)CC1	ZINC000017098462	525176533	/nfs/dbraw/zinc/17/65/33/525176533.db2.gz	NPUVLVCJYFTDFD-UHFFFAOYSA-N	0	0	433.515	2.704	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccc(OC(C)C)c1)S(C)(=O)=O	ZINC000022374708	526076514	/nfs/dbraw/zinc/07/65/14/526076514.db2.gz	KBFXVWGDMZHUFQ-UHFFFAOYSA-N	0	0	435.502	2.773	40	5		IFBBRN
Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)cc3)CC2=O)cc1[N+](=O)[O-]	ZINC000408656952	556613912	/nfs/dbraw/zinc/61/39/12/556613912.db2.gz	HYGGTFXURROTNZ-AWEZNQCLSA-N	0	0	437.408	2.515	40	5		IFBBRN
Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)CCC4=O)c3)CC2=O)cc1[N+](=O)[O-]	ZINC000408671219	556614815	/nfs/dbraw/zinc/61/48/15/556614815.db2.gz	TUTAZZUVPMXDCQ-CQSZACIVSA-N	0	0	437.408	2.515	40	5		IFBBRN
O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1	ZINC000408681708	556616336	/nfs/dbraw/zinc/61/63/36/556616336.db2.gz	IHGNBOWEGCZXMZ-IAGOWNOFSA-N	0	0	433.420	2.786	40	5		IFBBRN
CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)sc2=N[C@H]1c1ccccc1	ZINC000408731297	556619280	/nfs/dbraw/zinc/61/92/80/556619280.db2.gz	LPCJVRMUAOGXMR-LVSKKATPSA-N	0	0	449.488	2.815	40	5		IFBBRN
Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)cc1[N+](=O)[O-]	ZINC000409162991	556632298	/nfs/dbraw/zinc/63/22/98/556632298.db2.gz	KJJGSRLEQJLHSJ-UHFFFAOYSA-N	0	0	440.485	2.693	40	5		IFBBRN
COc1ccc(Cl)cc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000409319158	556636902	/nfs/dbraw/zinc/63/69/02/556636902.db2.gz	BFQVPBDOZBCPSR-UHFFFAOYSA-N	0	0	427.866	2.970	40	5		IFBBRN
Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1	ZINC000409342291	556637479	/nfs/dbraw/zinc/63/74/79/556637479.db2.gz	BGLGQKSATARVOD-UHFFFAOYSA-N	0	0	440.485	2.944	40	5		IFBBRN
COCc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5Cl)c(=O)c4cc3c2=O)n1	ZINC000040398968	556641193	/nfs/dbraw/zinc/64/11/93/556641193.db2.gz	NZWJRIYMKPMKNL-UHFFFAOYSA-N	0	0	434.843	2.608	40	5		IFBBRN
CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(-c4ccccc4)c(=O)c3cc2c1=O	ZINC000040399123	556641586	/nfs/dbraw/zinc/64/15/86/556641586.db2.gz	FOQRKWBLNQCLKH-UHFFFAOYSA-N	0	0	441.447	2.898	40	5		IFBBRN
COc1cc([C@H]2[C@@H]3SC(=N)NC3=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O	ZINC000136608031	556822667	/nfs/dbraw/zinc/82/26/67/556822667.db2.gz	AJGNHEZSJSKDCB-GJZGRUSLSA-N	0	0	430.402	2.522	40	5		IFBBRN
CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000409025917	556925934	/nfs/dbraw/zinc/92/59/34/556925934.db2.gz	AIJXIHJMVYSIIT-UHFFFAOYSA-N	0	0	432.285	2.984	40	5		IFBBRN
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cccc([N+](=O)[O-])c3)sc2=N1	ZINC000409030345	556926987	/nfs/dbraw/zinc/92/69/87/556926987.db2.gz	FLWUZPKJQDKRCJ-MTGKDYNDSA-N	0	0	449.488	2.707	40	5		IFBBRN
CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000409176291	556985961	/nfs/dbraw/zinc/98/59/61/556985961.db2.gz	ZXFAVRWNYNLACQ-UHFFFAOYSA-N	0	0	440.485	2.867	40	5		IFBBRN
O=[N+]([O-])c1nn(Cc2cccc(-c3nc4c5cnnc-5ncn4[nH]3)c2)cc1Br	ZINC000013960069	557008811	/nfs/dbraw/zinc/00/88/11/557008811.db2.gz	GBSBNEZKHVOEDJ-UHFFFAOYSA-N	0	0	440.221	2.583	40	5		IFBBRN
CCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000409318793	557060991	/nfs/dbraw/zinc/06/09/91/557060991.db2.gz	ZOWUSJNWNMNFNQ-UHFFFAOYSA-N	0	0	448.501	2.529	40	5		IFBBRN
COC(=O)c1ccccc1Nc1nc2nc3ccccc3c(=O)n2cc1Br	ZINC000100744372	557116963	/nfs/dbraw/zinc/11/69/63/557116963.db2.gz	CCIOBHPUWHXDER-UHFFFAOYSA-N	0	0	425.242	2.957	40	5		IFBBRN
COc1ccc(CN(C)C(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000220377740	557125388	/nfs/dbraw/zinc/12/53/88/557125388.db2.gz	YIINEBYBHRSBRZ-HNNXBMFYSA-N	0	0	435.502	2.725	40	5		IFBBRN
COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	ZINC000220381558	557133923	/nfs/dbraw/zinc/13/39/23/557133923.db2.gz	CLWCZRHYYOGDOL-CYBMUJFWSA-N	0	0	437.474	2.714	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O	ZINC000220393029	557135501	/nfs/dbraw/zinc/13/55/01/557135501.db2.gz	OCHMDAOJKVVYEB-HNNXBMFYSA-N	0	0	437.493	2.946	40	5		IFBBRN
Cc1ccc(OCCNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	ZINC000220393252	557135645	/nfs/dbraw/zinc/13/56/45/557135645.db2.gz	RQPCGQLXDNDJAQ-INIZCTEOSA-N	0	0	435.502	2.561	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O	ZINC000220397802	557136089	/nfs/dbraw/zinc/13/60/89/557136089.db2.gz	QWJQFEBAMDGDBG-QGZVFWFLSA-N	0	0	448.545	2.700	40	5		IFBBRN
CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220412864	557149515	/nfs/dbraw/zinc/14/95/15/557149515.db2.gz	YZGDNUHOZXEPEJ-CQSZACIVSA-N	0	0	448.501	2.528	40	5		IFBBRN
COc1ccccc1CCCNC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220416494	557149802	/nfs/dbraw/zinc/14/98/02/557149802.db2.gz	MTBMSPILNRMPIO-HNNXBMFYSA-N	0	0	435.502	2.507	40	5		IFBBRN
Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000220423245	557154421	/nfs/dbraw/zinc/15/44/21/557154421.db2.gz	JACRUYJUNZARDM-HOTGVXAUSA-N	0	0	435.502	2.641	40	5		IFBBRN
Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000220422851	557154427	/nfs/dbraw/zinc/15/44/27/557154427.db2.gz	YALUAKKRCDMBFY-JKSUJKDBSA-N	0	0	435.502	2.641	40	5		IFBBRN
O=C([O-])[C@@H]1COC2(CC[NH+](Cc3ccccc3)CC2)N1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000071980580	557333696	/nfs/dbraw/zinc/33/36/96/557333696.db2.gz	WGKSXUKKMXHEIF-IBGZPJMESA-N	0	0	425.441	2.513	40	5		IFBBRN
COCCCNC(=O)c1cc2c(nc1NCc1ccccc1)nc1c(C)cccn1c2=O	ZINC000013519021	557335401	/nfs/dbraw/zinc/33/54/01/557335401.db2.gz	WUZQRFYHFRRULB-UHFFFAOYSA-N	0	0	431.496	2.930	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O	ZINC000014400492	557337134	/nfs/dbraw/zinc/33/71/34/557337134.db2.gz	GRRQQPOACLIGID-UHFFFAOYSA-N	0	0	425.438	2.927	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(OC(C)C)c1)S(C)(=O)=O	ZINC000408621889	557422409	/nfs/dbraw/zinc/42/24/09/557422409.db2.gz	PVWDZNMFRYATHE-UHFFFAOYSA-N	0	0	437.474	2.795	40	5		IFBBRN
COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1	ZINC000408641848	557424448	/nfs/dbraw/zinc/42/44/48/557424448.db2.gz	DDLJAYCEVWOQMD-DZGCQCFKSA-N	0	0	442.424	2.780	40	5		IFBBRN
Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)CCC1=O	ZINC000408664076	557426356	/nfs/dbraw/zinc/42/63/56/557426356.db2.gz	NOOIIIVBKAIDSI-AWEZNQCLSA-N	0	0	437.408	2.515	40	5		IFBBRN
COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1	ZINC000408662527	557426880	/nfs/dbraw/zinc/42/68/80/557426880.db2.gz	JJBDNPHIHHFGCA-UHFFFAOYSA-N	0	0	445.428	2.903	40	5		IFBBRN
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1	ZINC000408664259	557427864	/nfs/dbraw/zinc/42/78/64/557427864.db2.gz	ZDKQAZMXGZSMBF-OAHLLOKOSA-N	0	0	441.440	2.755	40	5		IFBBRN
CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1	ZINC000408670555	557427874	/nfs/dbraw/zinc/42/78/74/557427874.db2.gz	RETPSCRUTLAEON-MRXNPFEDSA-N	0	0	439.424	2.641	40	5		IFBBRN
O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1	ZINC000408665063	557427888	/nfs/dbraw/zinc/42/78/88/557427888.db2.gz	SUPQXJXRKCUDNB-UHFFFAOYSA-N	0	0	430.373	2.794	40	5		IFBBRN
Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000408664293	557427908	/nfs/dbraw/zinc/42/79/08/557427908.db2.gz	PVDQXSMITWXYDZ-UHFFFAOYSA-N	0	0	430.373	2.712	40	5		IFBBRN
COc1c([N+](=O)[O-])cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1[N+](=O)[O-]	ZINC000103934063	557442766	/nfs/dbraw/zinc/44/27/66/557442766.db2.gz	MGAUXUDXRNUQGN-UHFFFAOYSA-N	0	0	447.360	2.509	40	5		IFBBRN
CCOc1ccc(CNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000222366476	568638209	/nfs/dbraw/zinc/63/82/09/568638209.db2.gz	NQMASGUUDGLVPV-UHFFFAOYSA-N	0	0	435.502	2.856	40	5		IFBBRN
COC(=O)c1ccc(C)c(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	ZINC000222362343	568638237	/nfs/dbraw/zinc/63/82/37/568638237.db2.gz	CTZUELKLGCIPGD-UHFFFAOYSA-N	0	0	449.485	2.875	40	5		IFBBRN
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O	ZINC000222370237	568640200	/nfs/dbraw/zinc/64/02/00/568640200.db2.gz	FOUNFGQHCNTXPN-UHFFFAOYSA-N	0	0	429.539	2.946	40	5		IFBBRN
CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222521952	568650301	/nfs/dbraw/zinc/65/03/01/568650301.db2.gz	ZUZGVCZCDUBRDH-MRXNPFEDSA-N	0	0	435.458	2.549	40	5		IFBBRN
CC[C@@H](C(=O)NCCOc1ccc(C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222526854	568650500	/nfs/dbraw/zinc/65/05/00/568650500.db2.gz	GWQYAZPXRBTKGJ-IBGZPJMESA-N	0	0	435.502	2.643	40	5		IFBBRN
CC[C@@H](C(=O)NCc1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222534634	568651433	/nfs/dbraw/zinc/65/14/33/568651433.db2.gz	ZLVSOQAHMYEPNF-KRWDZBQOSA-N	0	0	435.502	2.773	40	5		IFBBRN
CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000222537236	568651729	/nfs/dbraw/zinc/65/17/29/568651729.db2.gz	GIWMYFLOOJYQSH-INIZCTEOSA-N	0	0	436.446	2.995	40	5		IFBBRN
CC[C@H](C(=O)NCCSC(C)(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222547086	568652309	/nfs/dbraw/zinc/65/23/09/568652309.db2.gz	TZQCMEQPCKWHRX-CQSZACIVSA-N	0	0	447.579	2.796	40	5		IFBBRN
CC[C@H](C(=O)NC(C(C)C)C(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222546779	568652386	/nfs/dbraw/zinc/65/23/86/568652386.db2.gz	CMLZJSUTQQDPBN-OAHLLOKOSA-N	0	0	429.539	2.945	40	5		IFBBRN
CC[C@@H](C(=O)NCc1cccc(C)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222548448	568652532	/nfs/dbraw/zinc/65/25/32/568652532.db2.gz	CYXQGWJZFNNFKY-KRWDZBQOSA-N	0	0	435.502	2.773	40	5		IFBBRN
CC[C@H](C(=O)N1CCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000222548348	568652552	/nfs/dbraw/zinc/65/25/52/568652552.db2.gz	QNZASJGQSAJTCJ-MRXNPFEDSA-N	0	0	433.486	2.737	40	5		IFBBRN
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	ZINC000222577787	568653364	/nfs/dbraw/zinc/65/33/64/568653364.db2.gz	PLJKPUAYNSYQEL-ZDUSSCGKSA-N	0	0	435.864	2.799	40	5		IFBBRN
COC(=O)c1cn(C(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc12	ZINC000222632950	568655807	/nfs/dbraw/zinc/65/58/07/568655807.db2.gz	MAEUCKDOPUKWTN-ZDUSSCGKSA-N	0	0	445.453	2.831	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000222672143	568657061	/nfs/dbraw/zinc/65/70/61/568657061.db2.gz	JTQXLWHIMHGQRN-UHFFFAOYSA-N	0	0	449.485	2.859	40	5		IFBBRN
CCOC(=O)c1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	ZINC000222684949	568657300	/nfs/dbraw/zinc/65/73/00/568657300.db2.gz	LBJRRVHNLYTVMB-UHFFFAOYSA-N	0	0	449.485	2.956	40	5		IFBBRN
CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000222780435	568661544	/nfs/dbraw/zinc/66/15/44/568661544.db2.gz	BMPBYFAOJWOOFE-HNNXBMFYSA-N	0	0	431.514	3.000	40	5		IFBBRN
COc1ccc(OC)c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1	ZINC000218260363	568741222	/nfs/dbraw/zinc/74/12/22/568741222.db2.gz	BXKHSCBDYILPME-UHFFFAOYSA-N	0	0	443.865	2.670	40	5		IFBBRN
COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1N1C(=O)CCC1=O	ZINC000223073482	568778846	/nfs/dbraw/zinc/77/88/46/568778846.db2.gz	NQJQYZINEOLRKM-UHFFFAOYSA-N	0	0	439.833	2.711	40	5		IFBBRN
CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000016320852	568876859	/nfs/dbraw/zinc/87/68/59/568876859.db2.gz	ZCMKNFBZKIAPFT-BJMVGYQFSA-N	0	0	443.510	2.954	40	5		IFBBRN
CC(C)c1ccccc1OCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000223761472	568877052	/nfs/dbraw/zinc/87/70/52/568877052.db2.gz	VRJQNNNLLGJLSS-UHFFFAOYSA-N	0	0	435.502	2.679	40	5		IFBBRN
CC[C@H](C(=O)NCCSC1CCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000223777399	568877325	/nfs/dbraw/zinc/87/73/25/568877325.db2.gz	ZFYZEVVEMHMUSN-QGZVFWFLSA-N	0	0	429.564	2.931	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCc1ccc(Cl)cc1)S(C)(=O)=O	ZINC000224057519	568889442	/nfs/dbraw/zinc/88/94/42/568889442.db2.gz	FUWAWNLTTAKCGA-UHFFFAOYSA-N	0	0	425.894	2.682	40	5		IFBBRN
COc1ccc(OC)c(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000138523139	568985771	/nfs/dbraw/zinc/98/57/71/568985771.db2.gz	UOEXVJWRINJUCB-UHFFFAOYSA-N	0	0	445.428	2.903	40	5		IFBBRN
COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1	ZINC000138608817	569088099	/nfs/dbraw/zinc/08/80/99/569088099.db2.gz	ZNZZMGZPSDXIKR-UHFFFAOYSA-N	0	0	431.401	2.513	40	5		IFBBRN
Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000138820492	569116121	/nfs/dbraw/zinc/11/61/21/569116121.db2.gz	HGUNNVMYNIAOGB-UHFFFAOYSA-N	0	0	430.373	2.712	40	5		IFBBRN
O=C(CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000036556682	569117391	/nfs/dbraw/zinc/11/73/91/569117391.db2.gz	URMHWEAMLINOSQ-QWHCGFSZSA-N	0	0	447.289	2.577	40	5		IFBBRN
COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000139090563	569138378	/nfs/dbraw/zinc/13/83/78/569138378.db2.gz	NJSOZMGWMSOBLK-GFCCVEGCSA-N	0	0	447.831	2.792	40	5		IFBBRN
O=C1N=C(SCc2ccccc2)NN2C1=c1ccccc1=N[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000588226950	569145558	/nfs/dbraw/zinc/14/55/58/569145558.db2.gz	XQGWHFYQQHALGM-NRFANRHFSA-N	0	0	443.488	2.671	40	5		IFBBRN
CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000224774063	569186350	/nfs/dbraw/zinc/18/63/50/569186350.db2.gz	YRTHKUMVJFFUFF-UHFFFAOYSA-N	0	0	438.458	2.679	40	5		IFBBRN
Cc1ccccc1OCCNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000224854238	569190000	/nfs/dbraw/zinc/19/00/00/569190000.db2.gz	QCNBNEOZJAKSCC-UHFFFAOYSA-N	0	0	449.529	2.953	40	5		IFBBRN
CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225041157	569215049	/nfs/dbraw/zinc/21/50/49/569215049.db2.gz	ZTVDZIIPEFFWDL-UHFFFAOYSA-N	0	0	443.821	2.915	40	5		IFBBRN
O=C(c1cccc([N+](=O)[O-])c1)N(CCO)CCCN1C(=O)c2cccc3cccc(c32)C1=O	ZINC000033756748	569246547	/nfs/dbraw/zinc/24/65/47/569246547.db2.gz	JBAQCWKOENJJCS-UHFFFAOYSA-N	0	0	447.447	2.869	40	5		IFBBRN
C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2	ZINC000059816949	569249755	/nfs/dbraw/zinc/24/97/55/569249755.db2.gz	VAFJVBLMCARFIL-LALPHHSUSA-N	0	0	440.460	2.510	40	5		IFBBRN
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccccc1[N+](=O)[O-]	ZINC000107597252	569250576	/nfs/dbraw/zinc/25/05/76/569250576.db2.gz	IPNFCEZUCFPDAW-UHFFFAOYSA-N	0	0	449.876	2.993	40	5		IFBBRN
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OC(C)C)C2=O)o1	ZINC000107757787	569251262	/nfs/dbraw/zinc/25/12/62/569251262.db2.gz	WDLDKXBOYIWODV-ZROIWOOFSA-N	0	0	429.385	2.855	40	5		IFBBRN
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC	ZINC000225302808	569288894	/nfs/dbraw/zinc/28/88/94/569288894.db2.gz	LZWILYKEWLSTPL-UHFFFAOYSA-N	0	0	443.865	2.525	40	5		IFBBRN
Cc1nnc(SCC(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)s1	ZINC000008854744	569291197	/nfs/dbraw/zinc/29/11/97/569291197.db2.gz	DMQSLYBEIBBNTN-UHFFFAOYSA-N	0	0	436.544	2.805	40	5		IFBBRN
COc1cc(/C=C2\SC(=N)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009056887	569293281	/nfs/dbraw/zinc/29/32/81/569293281.db2.gz	IBGDQACBUABIRP-DHDCSXOGSA-N	0	0	435.439	2.510	40	5		IFBBRN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(F)cc3)N3N=CC=C[C@@H]23)C1O	ZINC000009312280	569295269	/nfs/dbraw/zinc/29/52/69/569295269.db2.gz	DGYSWVQUMJOIOE-HAGHYFMRSA-N	0	0	448.410	2.639	40	5		IFBBRN
COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000113875426	569296870	/nfs/dbraw/zinc/29/68/70/569296870.db2.gz	GPMZKJNPKKBAAJ-UHFFFAOYSA-N	0	0	429.248	2.726	40	5		IFBBRN
COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000113890024	569297054	/nfs/dbraw/zinc/29/70/54/569297054.db2.gz	CJJOHFYLMNQDLH-UHFFFAOYSA-N	0	0	429.794	2.525	40	5		IFBBRN
CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1	ZINC000010010527	569299052	/nfs/dbraw/zinc/29/90/52/569299052.db2.gz	ZFIMSGYMWGJBOJ-UHFFFAOYSA-N	0	0	432.864	2.934	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCSC1CCCC1)S(C)(=O)=O	ZINC000260793167	569311347	/nfs/dbraw/zinc/31/13/47/569311347.db2.gz	GYQRZONIMLXPLS-CQSZACIVSA-N	0	0	429.564	2.850	40	5		IFBBRN
O=C(C(Sc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)N1CCCCC1)N1CCCCC1	ZINC000019141900	569316374	/nfs/dbraw/zinc/31/63/74/569316374.db2.gz	GRMPMDLOJXCFNL-UHFFFAOYSA-N	0	0	431.518	2.957	40	5		IFBBRN
CC[C@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccc(C)cc1	ZINC000020105327	569333833	/nfs/dbraw/zinc/33/38/33/569333833.db2.gz	SUAQZGPXXCKLTJ-KRWDZBQOSA-N	0	0	435.502	2.945	40	5		IFBBRN
O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000021450124	569386097	/nfs/dbraw/zinc/38/60/97/569386097.db2.gz	YIZZEPUALFSNOG-OAHLLOKOSA-N	0	0	428.876	2.950	40	5		IFBBRN
COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000225857201	569409410	/nfs/dbraw/zinc/40/94/10/569409410.db2.gz	CODKCKWGFGDKIO-LSDHHAIUSA-N	0	0	435.502	2.944	40	5		IFBBRN
COc1ccc2c(ccn2CCC(=O)N2C[C@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c1	ZINC000604405159	569448315	/nfs/dbraw/zinc/44/83/15/569448315.db2.gz	LFGHRVJRLSWQGB-WBVHZDCISA-N	0	0	436.468	2.756	40	5		IFBBRN
CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000218306126	569456979	/nfs/dbraw/zinc/45/69/79/569456979.db2.gz	WTTJLWAPAKVWJX-UHFFFAOYSA-N	0	0	428.810	2.561	40	5		IFBBRN
CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cc(F)ccc1OC	ZINC000039986373	569482216	/nfs/dbraw/zinc/48/22/16/569482216.db2.gz	GZXMSFXMACLVHF-UHFFFAOYSA-N	0	0	425.438	2.700	40	5		IFBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21	ZINC000040399219	569501134	/nfs/dbraw/zinc/50/11/34/569501134.db2.gz	FUAQWZZJVXHZGH-CQSZACIVSA-N	0	0	434.412	2.795	40	5		IFBBRN
Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)cc1	ZINC000040400486	569501579	/nfs/dbraw/zinc/50/15/79/569501579.db2.gz	HLMPNDDBVHXHEF-OAHLLOKOSA-N	0	0	434.412	2.795	40	5		IFBBRN