smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1nnc2c1CCN(c1ccc3cccc([N+](=O)[O-])c3n1)[C@@H]2COCC[NH+]1CCCC1	ZINC001164715375	720180031	/nfs/dbraw/zinc/18/00/31/720180031.db2.gz	ADVILDZOGCRFEU-LJQANCHMSA-N	1	0	437.504	2.488	20	5		IEBDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CCC2	ZINC001164814081	720217869	/nfs/dbraw/zinc/21/78/69/720217869.db2.gz	SGYWREZVORNFAZ-UHFFFAOYSA-N	1	0	442.307	2.499	20	5		IEBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1	ZINC001164827765	720328199	/nfs/dbraw/zinc/32/81/99/720328199.db2.gz	IJEBIPCSMXRGOB-RTBURBONSA-N	1	0	445.520	2.078	20	5		IEBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1	ZINC001164838254	720647573	/nfs/dbraw/zinc/64/75/73/720647573.db2.gz	GTXFXPLYPVQXTP-JFIYKMOQSA-N	1	0	428.493	2.351	20	5		IEBDRO
Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164738689	720739070	/nfs/dbraw/zinc/73/90/70/720739070.db2.gz	GWAWZRNTUARPJV-ZWKOTPCHSA-N	1	0	433.472	2.492	20	5		IEBDRO
CCOc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-]	ZINC001164744702	720840472	/nfs/dbraw/zinc/84/04/72/720840472.db2.gz	LEUCEHNERLIKSR-FGTMMUONSA-N	1	0	427.509	2.359	20	5		IEBDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2	ZINC001164748775	720950158	/nfs/dbraw/zinc/95/01/58/720950158.db2.gz	CQZDDRLVNFPUKZ-UHFFFAOYSA-N	1	0	445.867	2.034	20	5		IEBDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cnc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164890561	721388453	/nfs/dbraw/zinc/38/84/53/721388453.db2.gz	OGXHCGJMKVODQN-AVRDEDQJSA-N	1	0	426.521	2.303	20	5		IEBDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cnc5cc([N+](=O)[O-])ccc5n4)C3)O2)CC1	ZINC001164886814	721392851	/nfs/dbraw/zinc/39/28/51/721392851.db2.gz	GJVJEMUVBZYAAZ-XMSQKQJNSA-N	1	0	426.521	2.303	20	5		IEBDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164886733	721397115	/nfs/dbraw/zinc/39/71/15/721397115.db2.gz	FYXLEWGSHPPNOY-SCLBCKFNSA-N	1	0	445.351	2.457	20	5		IEBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1	ZINC001164966039	722062356	/nfs/dbraw/zinc/06/23/56/722062356.db2.gz	NRUWHXXYQCQCPM-UHFFFAOYSA-N	1	0	441.488	2.290	20	5		IEBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164980890	722129466	/nfs/dbraw/zinc/12/94/66/722129466.db2.gz	NIBMJYXDZZVTDQ-YLJYHZDGSA-N	1	0	441.488	2.289	20	5		IEBDRO
CCOC(=O)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-]	ZINC001164973878	722152185	/nfs/dbraw/zinc/15/21/85/722152185.db2.gz	NHUPLIGVZMAQDH-MJGOQNOKSA-N	1	0	441.488	2.289	20	5		IEBDRO
CCOC(=O)c1ccnc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)c1[N+](=O)[O-]	ZINC001164618862	719033809	/nfs/dbraw/zinc/03/38/09/719033809.db2.gz	ZETTUBHEFYVNMP-UHFFFAOYSA-N	1	0	434.493	2.410	20	5		IEBDRO
COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl	ZINC001164630604	719137785	/nfs/dbraw/zinc/13/77/85/719137785.db2.gz	JQNRSTCNPAIXGJ-AWEZNQCLSA-N	1	0	427.795	2.201	20	5		IEBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])c(OC)n1)CC2	ZINC001164709685	720094690	/nfs/dbraw/zinc/09/46/90/720094690.db2.gz	CFQNNNSBUHUWNW-QGZVFWFLSA-N	1	0	428.493	2.296	20	5		IEBDRO
Cc1cc([N+](=O)[O-])c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1Cl	ZINC001164716579	720176185	/nfs/dbraw/zinc/17/61/85/720176185.db2.gz	ICBFYTQGYQEQMS-MRXNPFEDSA-N	1	0	435.916	2.296	20	5		IEBDRO
COC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-]	ZINC001164834616	720556369	/nfs/dbraw/zinc/55/63/69/720556369.db2.gz	FEYVKUBNFRAPAO-LZLYRXPVSA-N	1	0	428.493	2.351	20	5		IEBDRO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1	ZINC001164738872	720662385	/nfs/dbraw/zinc/66/23/85/720662385.db2.gz	LEOUZYDZZLLJNY-UONOGXRCSA-N	1	0	427.852	2.323	20	5		IEBDRO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1	ZINC001164738873	720663016	/nfs/dbraw/zinc/66/30/16/720663016.db2.gz	LEOUZYDZZLLJNY-ZIAGYGMSSA-N	1	0	427.852	2.323	20	5		IEBDRO
O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)ccc1F	ZINC001164745427	720794093	/nfs/dbraw/zinc/79/40/93/720794093.db2.gz	KIMKJYDZPSTDFP-HZPDHXFCSA-N	1	0	437.435	2.323	20	5		IEBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164750471	720804914	/nfs/dbraw/zinc/80/49/14/720804914.db2.gz	VVGFKTJJRHBKEH-KGLIPLIRSA-N	1	0	427.852	2.323	20	5		IEBDRO
O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1	ZINC001164755285	720870335	/nfs/dbraw/zinc/87/03/35/720870335.db2.gz	VSEASDZPRMCJMO-NFBKMPQASA-N	1	0	439.516	2.378	20	5		IEBDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)CC[C@@H]2C1	ZINC001164856655	720884870	/nfs/dbraw/zinc/88/48/70/720884870.db2.gz	IWMZSPVRTIMOPX-UZLBHIALSA-N	1	0	431.468	2.364	20	5		IEBDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2	ZINC001164751352	720945100	/nfs/dbraw/zinc/94/51/00/720945100.db2.gz	PULNZUKISJNGKD-UHFFFAOYSA-N	1	0	444.826	2.030	20	5		IEBDRO
CCOC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164875338	721175152	/nfs/dbraw/zinc/17/51/52/721175152.db2.gz	KXCVMXPZZGXBRJ-IRXDYDNUSA-N	1	0	427.461	2.041	20	5		IEBDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164886732	721397572	/nfs/dbraw/zinc/39/75/72/721397572.db2.gz	FYXLEWGSHPPNOY-FZKQIMNGSA-N	1	0	445.351	2.457	20	5		IEBDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889414	721405895	/nfs/dbraw/zinc/40/58/95/721405895.db2.gz	QFVFWADGJSJTKS-PGRDOPGGSA-N	1	0	426.521	2.303	20	5		IEBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(C)c([N+](=O)[O-])cc[n+]1[O-])CC2	ZINC001164789359	721463153	/nfs/dbraw/zinc/46/31/53/721463153.db2.gz	XGYIRCAQUUIGHS-LJQANCHMSA-N	1	0	434.537	2.271	20	5		IEBDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC3)CC1	ZINC001164794623	721511928	/nfs/dbraw/zinc/51/19/28/721511928.db2.gz	UCXVXLHKBRPHGN-UHFFFAOYSA-N	1	0	441.870	2.152	20	5		IEBDRO
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1	ZINC001164995068	722195058	/nfs/dbraw/zinc/19/50/58/722195058.db2.gz	RRFKVZIYKKRYCN-QFIPXVFZSA-N	1	0	441.511	2.178	20	5		IEBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1	ZINC001164616316	719029577	/nfs/dbraw/zinc/02/95/77/719029577.db2.gz	AIKJRCBQBHZGFB-UHFFFAOYSA-N	1	0	434.493	2.410	20	5		IEBDRO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2	ZINC001164686235	719605533	/nfs/dbraw/zinc/60/55/33/719605533.db2.gz	ZMVXOOBPHMHZAV-UHFFFAOYSA-N	1	0	436.900	2.492	20	5		IEBDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CC2	ZINC001164689547	719751140	/nfs/dbraw/zinc/75/11/40/719751140.db2.gz	HLGCGMWYADNXLW-UHFFFAOYSA-N	1	0	428.468	2.372	20	5		IEBDRO
CC(C)Oc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)ccc1[N+](=O)[O-]	ZINC001164718485	720199582	/nfs/dbraw/zinc/19/95/82/720199582.db2.gz	ZVVBFKNFFOZEEN-GOSISDBHSA-N	1	0	445.524	2.122	20	5		IEBDRO
CN(C)/C=C\c1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-]	ZINC001164831234	720337357	/nfs/dbraw/zinc/33/73/57/720337357.db2.gz	YIEKBBZIQKLCHK-SJGBYXOVSA-N	1	0	442.564	2.434	20	5		IEBDRO
COc1cc(C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164738150	720825744	/nfs/dbraw/zinc/82/57/44/720825744.db2.gz	DWCHAVYLSKDCPE-FGTMMUONSA-N	1	0	427.509	2.278	20	5		IEBDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)CC[C@@H]2C1	ZINC001164856653	720884602	/nfs/dbraw/zinc/88/46/02/720884602.db2.gz	IWMZSPVRTIMOPX-OXQOHEQNSA-N	1	0	431.468	2.364	20	5		IEBDRO
COC(=O)c1nc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-]	ZINC001164859200	720937644	/nfs/dbraw/zinc/93/76/44/720937644.db2.gz	LCKYMRFLHAVQRS-LLVKDONJSA-N	1	0	437.888	2.443	20	5		IEBDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2	ZINC001164751364	720951760	/nfs/dbraw/zinc/95/17/60/720951760.db2.gz	QDOWSTWPCDOVEC-UHFFFAOYSA-N	1	0	444.826	2.030	20	5		IEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])CC2)C1	ZINC001164869837	721267825	/nfs/dbraw/zinc/26/78/25/721267825.db2.gz	PQBDOAZUOXKWHA-UHFFFAOYSA-N	1	0	446.335	2.304	20	5		IEBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1	ZINC001164904763	721565698	/nfs/dbraw/zinc/56/56/98/721565698.db2.gz	FQAGEXKFDPUDCP-NVXWUHKLSA-N	1	0	430.440	2.133	20	5		IEBDRO
CCOC(=O)C(C(=O)OCC)c1nc(N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-]	ZINC001165033818	721862973	/nfs/dbraw/zinc/86/29/73/721862973.db2.gz	ZFAPSMAFISVTEK-UHFFFAOYSA-N	1	0	434.493	2.264	20	5		IEBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2	ZINC001164959477	722052829	/nfs/dbraw/zinc/05/28/29/722052829.db2.gz	KUCRNJYAEOPVSP-UHFFFAOYSA-N	1	0	441.488	2.290	20	5		IEBDRO
CCOC(=O)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-]	ZINC001164973873	722151574	/nfs/dbraw/zinc/15/15/74/722151574.db2.gz	NHUPLIGVZMAQDH-HKUYNNGSSA-N	1	0	441.488	2.289	20	5		IEBDRO
CN(C)/C=C/c1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ncc1[N+](=O)[O-]	ZINC001165004104	722255855	/nfs/dbraw/zinc/25/58/55/722255855.db2.gz	NBXUMMGSKVMXSZ-RMKNXTFCSA-N	1	0	429.525	2.207	20	5		IEBDRO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CCC[N@@H+]2CC(=O)NC)CC1	ZINC001164682212	719703350	/nfs/dbraw/zinc/70/33/50/719703350.db2.gz	CMMWSMKDQHGIAF-UHFFFAOYSA-N	1	0	439.900	2.001	20	5		IEBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])c(OC)n1)CC2	ZINC001164709683	720094098	/nfs/dbraw/zinc/09/40/98/720094098.db2.gz	CFQNNNSBUHUWNW-KRWDZBQOSA-N	1	0	428.493	2.296	20	5		IEBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(C)c([N+](=O)[O-])cc[n+]1[O-])CC2	ZINC001164719539	720129112	/nfs/dbraw/zinc/12/91/12/720129112.db2.gz	YRWKKXGJRCIGFA-LJQANCHMSA-N	1	0	427.505	2.439	20	5		IEBDRO
Cc1cc(Cl)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1[N+](=O)[O-]	ZINC001164717699	720175067	/nfs/dbraw/zinc/17/50/67/720175067.db2.gz	LPCUZOILSWBPAY-HNNXBMFYSA-N	1	0	435.916	2.296	20	5		IEBDRO
Cc1cc(Cl)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1[N+](=O)[O-]	ZINC001164717701	720175568	/nfs/dbraw/zinc/17/55/68/720175568.db2.gz	LPCUZOILSWBPAY-OAHLLOKOSA-N	1	0	435.916	2.296	20	5		IEBDRO
Cn1nnc2c1CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)[C@H]2COCC[NH+]1CCCC1	ZINC001164718748	720176454	/nfs/dbraw/zinc/17/64/54/720176454.db2.gz	QGHHQIKPRCOYJO-FQEVSTJZSA-N	1	0	437.504	2.488	20	5		IEBDRO
Cn1nnc2c1CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)[C@@H]2COCC[NH+]1CCCC1	ZINC001164717746	720180695	/nfs/dbraw/zinc/18/06/95/720180695.db2.gz	MBRXAEFMGHIRBS-HXUWFJFHSA-N	1	0	437.504	2.488	20	5		IEBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1	ZINC001164827763	720327940	/nfs/dbraw/zinc/32/79/40/720327940.db2.gz	IJEBIPCSMXRGOB-RBUKOAKNSA-N	1	0	445.520	2.078	20	5		IEBDRO
CN(C)/C=C/c1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-]	ZINC001164831236	720336653	/nfs/dbraw/zinc/33/66/53/720336653.db2.gz	YIEKBBZIQKLCHK-VGKNGNLDSA-N	1	0	442.564	2.434	20	5		IEBDRO
CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC001164831716	720349425	/nfs/dbraw/zinc/34/94/25/720349425.db2.gz	ZZYOAHBOWGFCSA-QZTJIDSGSA-N	1	0	445.520	2.078	20	5		IEBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164750475	720804957	/nfs/dbraw/zinc/80/49/57/720804957.db2.gz	VVGFKTJJRHBKEH-UONOGXRCSA-N	1	0	427.852	2.323	20	5		IEBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164750467	720805347	/nfs/dbraw/zinc/80/53/47/720805347.db2.gz	VVGFKTJJRHBKEH-KBPBESRZSA-N	1	0	427.852	2.323	20	5		IEBDRO
COc1cc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2cc1[N+](=O)[O-]	ZINC001164865324	721091619	/nfs/dbraw/zinc/09/16/19/721091619.db2.gz	KAPZVINRSVGFKJ-IRXDYDNUSA-N	1	0	436.472	2.421	20	5		IEBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])CC2	ZINC001164783670	721459781	/nfs/dbraw/zinc/45/97/81/721459781.db2.gz	FGKFBKMMBHNEKJ-GOSISDBHSA-N	1	0	449.552	2.436	20	5		IEBDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC3)CC1	ZINC001164794124	721511483	/nfs/dbraw/zinc/51/14/83/721511483.db2.gz	GRIIKWUEQHLSBY-UHFFFAOYSA-N	1	0	426.308	2.261	20	5		IEBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(C)c([N+](=O)[O-])cc[n+]1[O-])CC2	ZINC001164719537	720128797	/nfs/dbraw/zinc/12/87/97/720128797.db2.gz	YRWKKXGJRCIGFA-IBGZPJMESA-N	1	0	427.505	2.439	20	5		IEBDRO
Cn1nnc2c1CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)[C@H]2COCC[NH+]1CCCC1	ZINC001164717744	720180224	/nfs/dbraw/zinc/18/02/24/720180224.db2.gz	MBRXAEFMGHIRBS-FQEVSTJZSA-N	1	0	437.504	2.488	20	5		IEBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164741620	720662416	/nfs/dbraw/zinc/66/24/16/720662416.db2.gz	UMEIOKDTIGHOCF-CHWSQXEVSA-N	1	0	427.852	2.323	20	5		IEBDRO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1	ZINC001164738871	720662884	/nfs/dbraw/zinc/66/28/84/720662884.db2.gz	LEOUZYDZZLLJNY-KGLIPLIRSA-N	1	0	427.852	2.323	20	5		IEBDRO
Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164737216	720775697	/nfs/dbraw/zinc/77/56/97/720775697.db2.gz	AZCBSOGJSYBSOA-RBUKOAKNSA-N	1	0	433.472	2.492	20	5		IEBDRO
Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164737215	720776478	/nfs/dbraw/zinc/77/64/78/720776478.db2.gz	AZCBSOGJSYBSOA-OALUTQOASA-N	1	0	433.472	2.492	20	5		IEBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164750478	720805083	/nfs/dbraw/zinc/80/50/83/720805083.db2.gz	VVGFKTJJRHBKEH-ZIAGYGMSSA-N	1	0	427.852	2.323	20	5		IEBDRO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1	ZINC001164740676	720816979	/nfs/dbraw/zinc/81/69/79/720816979.db2.gz	KORIRLMBSOCIAH-BZUAXINKSA-N	1	0	432.916	2.318	20	5		IEBDRO
COc1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164738156	720825526	/nfs/dbraw/zinc/82/55/26/720825526.db2.gz	DWCHAVYLSKDCPE-OKZBNKHCSA-N	1	0	427.509	2.278	20	5		IEBDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)CC[C@H]2C1	ZINC001164856650	720884686	/nfs/dbraw/zinc/88/46/86/720884686.db2.gz	IWMZSPVRTIMOPX-JXFKEZNVSA-N	1	0	431.468	2.364	20	5		IEBDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)CC[C@H]2C1	ZINC001164856651	720884885	/nfs/dbraw/zinc/88/48/85/720884885.db2.gz	IWMZSPVRTIMOPX-OXJNMPFZSA-N	1	0	431.468	2.364	20	5		IEBDRO
COc1cc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1[N+](=O)[O-]	ZINC001164865323	721091895	/nfs/dbraw/zinc/09/18/95/721091895.db2.gz	KAPZVINRSVGFKJ-IAGOWNOFSA-N	1	0	436.472	2.421	20	5		IEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC2)C1	ZINC001164868571	721269240	/nfs/dbraw/zinc/26/92/40/721269240.db2.gz	COTYEGQJZFJMBO-UHFFFAOYSA-N	1	0	427.505	2.150	20	5		IEBDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cnc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164890564	721389734	/nfs/dbraw/zinc/38/97/34/721389734.db2.gz	OGXHCGJMKVODQN-XMSQKQJNSA-N	1	0	426.521	2.303	20	5		IEBDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164886734	721397208	/nfs/dbraw/zinc/39/72/08/721397208.db2.gz	FYXLEWGSHPPNOY-UGSOOPFHSA-N	1	0	445.351	2.457	20	5		IEBDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5cccc([N+](=O)[O-])c54)C3)O2)CC1	ZINC001164896799	721445478	/nfs/dbraw/zinc/44/54/78/721445478.db2.gz	RZUYFWQPPWTUPN-VGSWGCGISA-N	1	0	426.521	2.303	20	5		IEBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1	ZINC001164904767	721565440	/nfs/dbraw/zinc/56/54/40/721565440.db2.gz	FQAGEXKFDPUDCP-WBVHZDCISA-N	1	0	430.440	2.133	20	5		IEBDRO
CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)C2	ZINC001164912300	721766425	/nfs/dbraw/zinc/76/64/25/721766425.db2.gz	XUBOPCMYRBDTDA-UHFFFAOYSA-N	1	0	435.488	2.254	20	5		IEBDRO
C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CCC2	ZINC001165000272	722251862	/nfs/dbraw/zinc/25/18/62/722251862.db2.gz	NPKSMGFURTWQHK-UHFFFAOYSA-N	1	0	430.296	2.377	20	5		IEBDRO
O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c(Cl)nn1	ZINC001164406216	718854771	/nfs/dbraw/zinc/85/47/71/718854771.db2.gz	MZVPZFWUKUAYAC-DIFFPNOSSA-N	1	0	425.823	2.268	20	5		IEBDRO
O=[N+]([O-])c1cnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1C1C[NH2+]C1	ZINC001164707362	719909986	/nfs/dbraw/zinc/90/99/86/719909986.db2.gz	QLPPTUGRVDVIAW-UHFFFAOYSA-N	1	0	430.534	2.005	20	5		IEBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1	ZINC001164835338	720514086	/nfs/dbraw/zinc/51/40/86/720514086.db2.gz	JZZKBVPAAFGVAR-VDZJLULYSA-N	1	0	428.493	2.351	20	5		IEBDRO
O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)ccc1F	ZINC001164745426	720795902	/nfs/dbraw/zinc/79/59/02/720795902.db2.gz	KIMKJYDZPSTDFP-HOTGVXAUSA-N	1	0	437.435	2.323	20	5		IEBDRO
O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1	ZINC001164755287	720870379	/nfs/dbraw/zinc/87/03/79/720870379.db2.gz	VSEASDZPRMCJMO-OFNKIYASSA-N	1	0	439.516	2.378	20	5		IEBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164865757	721112166	/nfs/dbraw/zinc/11/21/66/721112166.db2.gz	PGVWZKJRAQSTPV-ZWKOTPCHSA-N	1	0	427.461	2.041	20	5		IEBDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(-c4ccc([N+](=O)[O-])cc4)nn2)CC3)CC1	ZINC001164796853	721518569	/nfs/dbraw/zinc/51/85/69/721518569.db2.gz	FCPPNTJUKGZCSL-UHFFFAOYSA-N	1	0	434.504	2.016	20	5		IEBDRO
COC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c([N+](=O)[O-])c1	ZINC001164964127	722054296	/nfs/dbraw/zinc/05/42/96/722054296.db2.gz	RSLYJMGPKSNIKR-UHFFFAOYSA-N	1	0	441.488	2.290	20	5		IEBDRO
O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2	ZINC001164963226	722056609	/nfs/dbraw/zinc/05/66/09/722056609.db2.gz	JCMJSDVNZIZQPO-UHFFFAOYSA-N	1	0	433.896	2.396	20	5		IEBDRO
COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl	ZINC001164634353	719138551	/nfs/dbraw/zinc/13/85/51/719138551.db2.gz	USSUAHOLDVUTHE-CQSZACIVSA-N	1	0	427.795	2.201	20	5		IEBDRO
Cc1cc([N+](=O)[O-])c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1Cl	ZINC001164716578	720176394	/nfs/dbraw/zinc/17/63/94/720176394.db2.gz	ICBFYTQGYQEQMS-INIZCTEOSA-N	1	0	435.916	2.296	20	5		IEBDRO
Cc1cc(Cl)c([N+](=O)[O-])c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1	ZINC001164715946	720176426	/nfs/dbraw/zinc/17/64/26/720176426.db2.gz	FFCVKOLAOXUASP-INIZCTEOSA-N	1	0	435.916	2.296	20	5		IEBDRO
COC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-]	ZINC001164834620	720556309	/nfs/dbraw/zinc/55/63/09/720556309.db2.gz	FEYVKUBNFRAPAO-XYJFISCASA-N	1	0	428.493	2.351	20	5		IEBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1	ZINC001164837775	720642251	/nfs/dbraw/zinc/64/22/51/720642251.db2.gz	JJARXODGDFHSII-FGTMMUONSA-N	1	0	442.524	2.226	20	5		IEBDRO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1	ZINC001164738870	720663305	/nfs/dbraw/zinc/66/33/05/720663305.db2.gz	LEOUZYDZZLLJNY-KBPBESRZSA-N	1	0	427.852	2.323	20	5		IEBDRO
Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164738687	720738188	/nfs/dbraw/zinc/73/81/88/720738188.db2.gz	GWAWZRNTUARPJV-ROUUACIJSA-N	1	0	433.472	2.492	20	5		IEBDRO
Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164737214	720775029	/nfs/dbraw/zinc/77/50/29/720775029.db2.gz	AZCBSOGJSYBSOA-MOPGFXCFSA-N	1	0	433.472	2.492	20	5		IEBDRO
COc1cc(C)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164738153	720825832	/nfs/dbraw/zinc/82/58/32/720825832.db2.gz	DWCHAVYLSKDCPE-KZNAEPCWSA-N	1	0	427.509	2.278	20	5		IEBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164865754	721112805	/nfs/dbraw/zinc/11/28/05/721112805.db2.gz	PGVWZKJRAQSTPV-MSOLQXFVSA-N	1	0	427.461	2.041	20	5		IEBDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164886729	721397259	/nfs/dbraw/zinc/39/72/59/721397259.db2.gz	FYXLEWGSHPPNOY-ACJLOTCBSA-N	1	0	445.351	2.457	20	5		IEBDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890088	721405581	/nfs/dbraw/zinc/40/55/81/721405581.db2.gz	SCQBJBDFCMXEEL-GCJKJVERSA-N	1	0	426.521	2.303	20	5		IEBDRO
COC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1[N+](=O)[O-]	ZINC001164964802	722056861	/nfs/dbraw/zinc/05/68/61/722056861.db2.gz	XUSUUSJBRGVKRX-UHFFFAOYSA-N	1	0	441.488	2.290	20	5		IEBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(C(=O)OC)c1[N+](=O)[O-])C2	ZINC001164806396	720086588	/nfs/dbraw/zinc/08/65/88/720086588.db2.gz	BZWWQMWIFXXOIP-YJYMSZOUSA-N	1	0	439.900	2.010	20	5		IEBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc(OC)c1[N+](=O)[O-])CC2	ZINC001164716136	720117549	/nfs/dbraw/zinc/11/75/49/720117549.db2.gz	JFEQRJCYRDVSGP-QGZVFWFLSA-N	1	0	428.493	2.296	20	5		IEBDRO
Cn1nnc2c1CCN(c1nccc3ccc([N+](=O)[O-])cc31)[C@@H]2COCC[NH+]1CCCC1	ZINC001164713849	720194061	/nfs/dbraw/zinc/19/40/61/720194061.db2.gz	FDEOUBDNJHZDLG-HXUWFJFHSA-N	1	0	437.504	2.488	20	5		IEBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1	ZINC001164827761	720328314	/nfs/dbraw/zinc/32/83/14/720328314.db2.gz	IJEBIPCSMXRGOB-OALUTQOASA-N	1	0	445.520	2.078	20	5		IEBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1	ZINC001164838256	720647762	/nfs/dbraw/zinc/64/77/62/720647762.db2.gz	GTXFXPLYPVQXTP-LZLYRXPVSA-N	1	0	428.493	2.351	20	5		IEBDRO
Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164737217	720774361	/nfs/dbraw/zinc/77/43/61/720774361.db2.gz	AZCBSOGJSYBSOA-RTBURBONSA-N	1	0	433.472	2.492	20	5		IEBDRO
Cc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164751188	720810503	/nfs/dbraw/zinc/81/05/03/720810503.db2.gz	XGVFPGJTUSIYPP-OWCLPIDISA-N	1	0	432.916	2.318	20	5		IEBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164865756	721111246	/nfs/dbraw/zinc/11/12/46/721111246.db2.gz	PGVWZKJRAQSTPV-ROUUACIJSA-N	1	0	427.461	2.041	20	5		IEBDRO
CCOC(=O)C(C(=O)OCC)c1nc(N2CC3(C2)CC[N@H+](CC2CC2)C3)ccc1[N+](=O)[O-]	ZINC001164774336	721304106	/nfs/dbraw/zinc/30/41/06/721304106.db2.gz	AAXITYFDTXMWOF-UHFFFAOYSA-N	1	0	446.504	2.122	20	5		IEBDRO
CCOC(=O)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164973880	722151905	/nfs/dbraw/zinc/15/19/05/722151905.db2.gz	NHUPLIGVZMAQDH-PKOBYXMFSA-N	1	0	441.488	2.289	20	5		IEBDRO
CN(C)/C=C\c1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ncc1[N+](=O)[O-]	ZINC001165004105	722256096	/nfs/dbraw/zinc/25/60/96/722256096.db2.gz	NBXUMMGSKVMXSZ-TWGQIWQCSA-N	1	0	429.525	2.207	20	5		IEBDRO
O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)c(Cl)nn2)cc1	ZINC001164402557	718854875	/nfs/dbraw/zinc/85/48/75/718854875.db2.gz	FXKRNDMGZSKJBE-SJCJKPOMSA-N	1	0	425.823	2.268	20	5		IEBDRO
O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)c(Cl)nn2)cc1	ZINC001164402562	718854893	/nfs/dbraw/zinc/85/48/93/718854893.db2.gz	FXKRNDMGZSKJBE-YVEFUNNKSA-N	1	0	425.823	2.268	20	5		IEBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(C(=O)OC)c1[N+](=O)[O-])C2	ZINC001164806393	720085799	/nfs/dbraw/zinc/08/57/99/720085799.db2.gz	BZWWQMWIFXXOIP-BFUOFWGJSA-N	1	0	439.900	2.010	20	5		IEBDRO
Cc1cc(Cl)c([N+](=O)[O-])c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1	ZINC001164715947	720176139	/nfs/dbraw/zinc/17/61/39/720176139.db2.gz	FFCVKOLAOXUASP-MRXNPFEDSA-N	1	0	435.916	2.296	20	5		IEBDRO
Cn1nnc2c1CCN(c1ncc([N+](=O)[O-])c3ccccc31)[C@H]2COCC[NH+]1CCCC1	ZINC001164719192	720178772	/nfs/dbraw/zinc/17/87/72/720178772.db2.gz	UDSNXAJUQFCYOR-FQEVSTJZSA-N	1	0	437.504	2.488	20	5		IEBDRO
Cn1nnc2c1CCN(c1nc3ccccc3cc1[N+](=O)[O-])[C@@H]2COCC[NH+]1CCCC1	ZINC001164715635	720189773	/nfs/dbraw/zinc/18/97/73/720189773.db2.gz	LJRFZGNEXQGHLV-HXUWFJFHSA-N	1	0	437.504	2.488	20	5		IEBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1	ZINC001164827759	720328295	/nfs/dbraw/zinc/32/82/95/720328295.db2.gz	IJEBIPCSMXRGOB-MOPGFXCFSA-N	1	0	445.520	2.078	20	5		IEBDRO
CN(C)/C=C/c1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-]	ZINC001164831233	720335920	/nfs/dbraw/zinc/33/59/20/720335920.db2.gz	YIEKBBZIQKLCHK-BJIJGURPSA-N	1	0	442.564	2.434	20	5		IEBDRO
O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)ccc1F	ZINC001164745425	720795239	/nfs/dbraw/zinc/79/52/39/720795239.db2.gz	KIMKJYDZPSTDFP-CVEARBPZSA-N	1	0	437.435	2.323	20	5		IEBDRO
Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164751186	720810664	/nfs/dbraw/zinc/81/06/64/720810664.db2.gz	XGVFPGJTUSIYPP-HRCADAONSA-N	1	0	432.916	2.318	20	5		IEBDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1	ZINC001164852907	720877143	/nfs/dbraw/zinc/87/71/43/720877143.db2.gz	AHBQHGMGJYFSOX-MNOVXSKESA-N	1	0	439.822	2.231	20	5		IEBDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC2	ZINC001164752121	720953783	/nfs/dbraw/zinc/95/37/83/720953783.db2.gz	VAIVHQPZAGSDIN-UHFFFAOYSA-N	1	0	429.264	2.139	20	5		IEBDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2	ZINC001164754162	720968442	/nfs/dbraw/zinc/96/84/42/720968442.db2.gz	NSTCRMKEBUZTOJ-UHFFFAOYSA-N	1	0	436.472	2.499	20	5		IEBDRO
COc1cc2ncnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2cc1[N+](=O)[O-]	ZINC001164865325	721091246	/nfs/dbraw/zinc/09/12/46/721091246.db2.gz	KAPZVINRSVGFKJ-SJORKVTESA-N	1	0	436.472	2.421	20	5		IEBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164865755	721111647	/nfs/dbraw/zinc/11/16/47/721111647.db2.gz	PGVWZKJRAQSTPV-QZTJIDSGSA-N	1	0	427.461	2.041	20	5		IEBDRO
CCOC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164875335	721175304	/nfs/dbraw/zinc/17/53/04/721175304.db2.gz	KXCVMXPZZGXBRJ-DLBZAZTESA-N	1	0	427.461	2.041	20	5		IEBDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc5cc([N+](=O)[O-])ccc5n4)C3)O2)CC1	ZINC001164886811	721392219	/nfs/dbraw/zinc/39/22/19/721392219.db2.gz	GJVJEMUVBZYAAZ-GCJKJVERSA-N	1	0	426.521	2.303	20	5		IEBDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cnc5cc([N+](=O)[O-])ccc5n4)C3)O2)CC1	ZINC001164886812	721392498	/nfs/dbraw/zinc/39/24/98/721392498.db2.gz	GJVJEMUVBZYAAZ-PGRDOPGGSA-N	1	0	426.521	2.303	20	5		IEBDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889412	721405521	/nfs/dbraw/zinc/40/55/21/721405521.db2.gz	QFVFWADGJSJTKS-AVRDEDQJSA-N	1	0	426.521	2.303	20	5		IEBDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890095	721405831	/nfs/dbraw/zinc/40/58/31/721405831.db2.gz	SCQBJBDFCMXEEL-XMSQKQJNSA-N	1	0	426.521	2.303	20	5		IEBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])CC2	ZINC001164783672	721460086	/nfs/dbraw/zinc/46/00/86/721460086.db2.gz	FGKFBKMMBHNEKJ-SFHVURJKSA-N	1	0	449.552	2.436	20	5		IEBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164980889	722129525	/nfs/dbraw/zinc/12/95/25/722129525.db2.gz	NIBMJYXDZZVTDQ-XLIONFOSSA-N	1	0	441.488	2.289	20	5		IEBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164980888	722129858	/nfs/dbraw/zinc/12/98/58/722129858.db2.gz	NIBMJYXDZZVTDQ-PXNSSMCTSA-N	1	0	441.488	2.289	20	5		IEBDRO
COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl	ZINC001164634349	719137445	/nfs/dbraw/zinc/13/74/45/719137445.db2.gz	USSUAHOLDVUTHE-AWEZNQCLSA-N	1	0	427.795	2.201	20	5		IEBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(C(=O)OC)c1[N+](=O)[O-])C2	ZINC001164806394	720085551	/nfs/dbraw/zinc/08/55/51/720085551.db2.gz	BZWWQMWIFXXOIP-DJJJIMSYSA-N	1	0	439.900	2.010	20	5		IEBDRO
Cn1nnc2c1CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)[C@@H]2COCC[NH+]1CCCC1	ZINC001164718749	720176012	/nfs/dbraw/zinc/17/60/12/720176012.db2.gz	QGHHQIKPRCOYJO-HXUWFJFHSA-N	1	0	437.504	2.488	20	5		IEBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1	ZINC001164835336	720513848	/nfs/dbraw/zinc/51/38/48/720513848.db2.gz	JZZKBVPAAFGVAR-KVSKMBFKSA-N	1	0	428.493	2.351	20	5		IEBDRO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1	ZINC001164740674	720816634	/nfs/dbraw/zinc/81/66/34/720816634.db2.gz	KORIRLMBSOCIAH-ARFHVFGLSA-N	1	0	432.916	2.318	20	5		IEBDRO
CCOc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-]	ZINC001164744707	720840361	/nfs/dbraw/zinc/84/03/61/720840361.db2.gz	LEUCEHNERLIKSR-RCCFBDPRSA-N	1	0	427.509	2.359	20	5		IEBDRO
CCOc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-]	ZINC001164744706	720840684	/nfs/dbraw/zinc/84/06/84/720840684.db2.gz	LEUCEHNERLIKSR-OKZBNKHCSA-N	1	0	427.509	2.359	20	5		IEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)C1	ZINC001164875627	721278945	/nfs/dbraw/zinc/27/89/45/721278945.db2.gz	YAKAZCAUWRMKIT-UHFFFAOYSA-N	1	0	427.505	2.150	20	5		IEBDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890092	721405679	/nfs/dbraw/zinc/40/56/79/721405679.db2.gz	SCQBJBDFCMXEEL-PGRDOPGGSA-N	1	0	426.521	2.303	20	5		IEBDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5cccc([N+](=O)[O-])c54)C3)O2)CC1	ZINC001164896793	721445466	/nfs/dbraw/zinc/44/54/66/721445466.db2.gz	RZUYFWQPPWTUPN-JTSKRJEESA-N	1	0	426.521	2.303	20	5		IEBDRO
Cc1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164795179	721519830	/nfs/dbraw/zinc/51/98/30/721519830.db2.gz	LCVPRNXJXLSOFC-UHFFFAOYSA-N	1	0	448.531	2.324	20	5		IEBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1	ZINC001164904761	721564999	/nfs/dbraw/zinc/56/49/99/721564999.db2.gz	FQAGEXKFDPUDCP-DOTOQJQBSA-N	1	0	430.440	2.133	20	5		IEBDRO
COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1	ZINC001164963255	722056207	/nfs/dbraw/zinc/05/62/07/722056207.db2.gz	JZFDFEQDAFIWQJ-UHFFFAOYSA-N	1	0	428.493	2.216	20	5		IEBDRO
O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)c(Cl)nn2)cc1	ZINC001164402555	718854709	/nfs/dbraw/zinc/85/47/09/718854709.db2.gz	FXKRNDMGZSKJBE-PXAZEXFGSA-N	1	0	425.823	2.268	20	5		IEBDRO
O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)c(Cl)nn1	ZINC001164406213	718854831	/nfs/dbraw/zinc/85/48/31/718854831.db2.gz	MZVPZFWUKUAYAC-APPDUMDISA-N	1	0	425.823	2.268	20	5		IEBDRO
COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl	ZINC001164630605	719137433	/nfs/dbraw/zinc/13/74/33/719137433.db2.gz	JQNRSTCNPAIXGJ-CQSZACIVSA-N	1	0	427.795	2.201	20	5		IEBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc(OC)c1[N+](=O)[O-])CC2	ZINC001164716130	720118168	/nfs/dbraw/zinc/11/81/68/720118168.db2.gz	JFEQRJCYRDVSGP-KRWDZBQOSA-N	1	0	428.493	2.296	20	5		IEBDRO
CC(C)Oc1nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)ccc1[N+](=O)[O-]	ZINC001164718486	720199667	/nfs/dbraw/zinc/19/96/67/720199667.db2.gz	ZVVBFKNFFOZEEN-SFHVURJKSA-N	1	0	445.524	2.122	20	5		IEBDRO
CN(C)/C=C\c1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-]	ZINC001164831237	720337148	/nfs/dbraw/zinc/33/71/48/720337148.db2.gz	YIEKBBZIQKLCHK-WQODXXIISA-N	1	0	442.564	2.434	20	5		IEBDRO
CCOC(=O)c1ccnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC001164831717	720349280	/nfs/dbraw/zinc/34/92/80/720349280.db2.gz	ZZYOAHBOWGFCSA-ROUUACIJSA-N	1	0	445.520	2.078	20	5		IEBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1	ZINC001164837776	720642989	/nfs/dbraw/zinc/64/29/89/720642989.db2.gz	JJARXODGDFHSII-KZNAEPCWSA-N	1	0	442.524	2.226	20	5		IEBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1	ZINC001164837777	720643398	/nfs/dbraw/zinc/64/33/98/720643398.db2.gz	JJARXODGDFHSII-OKZBNKHCSA-N	1	0	442.524	2.226	20	5		IEBDRO
Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164738684	720738743	/nfs/dbraw/zinc/73/87/43/720738743.db2.gz	GWAWZRNTUARPJV-MSOLQXFVSA-N	1	0	433.472	2.492	20	5		IEBDRO
O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1	ZINC001164755288	720871039	/nfs/dbraw/zinc/87/10/39/720871039.db2.gz	VSEASDZPRMCJMO-REWPJTCUSA-N	1	0	439.516	2.378	20	5		IEBDRO
COCC[N@@H+]1CCO[C@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])CC[C@H]2C1	ZINC001164852909	720877002	/nfs/dbraw/zinc/87/70/02/720877002.db2.gz	AHBQHGMGJYFSOX-QWRGUYRKSA-N	1	0	439.822	2.231	20	5		IEBDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2	ZINC001164748613	720950489	/nfs/dbraw/zinc/95/04/89/720950489.db2.gz	AXKBSHCGRNOYMX-UHFFFAOYSA-N	1	0	444.826	2.030	20	5		IEBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc(OC)c1[N+](=O)[O-])CC2	ZINC001164789225	721460017	/nfs/dbraw/zinc/46/00/17/721460017.db2.gz	VXKDRTLPUQILMU-KRWDZBQOSA-N	1	0	435.525	2.127	20	5		IEBDRO
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1	ZINC001164995065	722195003	/nfs/dbraw/zinc/19/50/03/722195003.db2.gz	RRFKVZIYKKRYCN-JOCHJYFZSA-N	1	0	441.511	2.178	20	5		IEBDRO
Cn1nnc2c1CCN(c1ccc3cccc([N+](=O)[O-])c3n1)[C@H]2COCC[NH+]1CCCC1	ZINC001164715374	720180170	/nfs/dbraw/zinc/18/01/70/720180170.db2.gz	ADVILDZOGCRFEU-IBGZPJMESA-N	1	0	437.504	2.488	20	5		IEBDRO
Cn1nnc2c1CCN(c1nccc3cc([N+](=O)[O-])ccc31)[C@H]2COCC[NH+]1CCCC1	ZINC001164716318	720205901	/nfs/dbraw/zinc/20/59/01/720205901.db2.gz	BRQKCMABNVLTMW-FQEVSTJZSA-N	1	0	437.504	2.488	20	5		IEBDRO
COC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-]	ZINC001164834614	720555659	/nfs/dbraw/zinc/55/56/59/720555659.db2.gz	FEYVKUBNFRAPAO-JFIYKMOQSA-N	1	0	428.493	2.351	20	5		IEBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1	ZINC001164838258	720648509	/nfs/dbraw/zinc/64/85/09/720648509.db2.gz	GTXFXPLYPVQXTP-SOLBZPMBSA-N	1	0	428.493	2.351	20	5		IEBDRO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1	ZINC001164740678	720816854	/nfs/dbraw/zinc/81/68/54/720816854.db2.gz	KORIRLMBSOCIAH-HRCADAONSA-N	1	0	432.916	2.318	20	5		IEBDRO
O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1	ZINC001164755286	720870221	/nfs/dbraw/zinc/87/02/21/720870221.db2.gz	VSEASDZPRMCJMO-NZQKXSOJSA-N	1	0	439.516	2.378	20	5		IEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)C1	ZINC001164872310	721282739	/nfs/dbraw/zinc/28/27/39/721282739.db2.gz	BTHCBUZZVFJYDO-UHFFFAOYSA-N	1	0	427.505	2.150	20	5		IEBDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cnc5cc([N+](=O)[O-])ccc5n4)C3)O2)CC1	ZINC001164886810	721392725	/nfs/dbraw/zinc/39/27/25/721392725.db2.gz	GJVJEMUVBZYAAZ-AVRDEDQJSA-N	1	0	426.521	2.303	20	5		IEBDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncnc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890084	721405953	/nfs/dbraw/zinc/40/59/53/721405953.db2.gz	SCQBJBDFCMXEEL-AVRDEDQJSA-N	1	0	426.521	2.303	20	5		IEBDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889413	721406002	/nfs/dbraw/zinc/40/60/02/721406002.db2.gz	QFVFWADGJSJTKS-GCJKJVERSA-N	1	0	426.521	2.303	20	5		IEBDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc([N+](=O)[O-])cc4c(Cl)ncnc42)CC3)CC1	ZINC001164795661	721522670	/nfs/dbraw/zinc/52/26/70/721522670.db2.gz	QPVCBJZQBIPHHG-UHFFFAOYSA-N	1	0	442.911	2.156	20	5		IEBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164980887	722129762	/nfs/dbraw/zinc/12/97/62/722129762.db2.gz	NIBMJYXDZZVTDQ-FXAWDEMLSA-N	1	0	441.488	2.289	20	5		IEBDRO
Cn1nnc2c1CCN(c1ncc([N+](=O)[O-])c3ccccc31)[C@@H]2COCC[NH+]1CCCC1	ZINC001164719193	720179306	/nfs/dbraw/zinc/17/93/06/720179306.db2.gz	UDSNXAJUQFCYOR-HXUWFJFHSA-N	1	0	437.504	2.488	20	5		IEBDRO
Cn1nnc2c1CCN(c1nc3ccccc3cc1[N+](=O)[O-])[C@H]2COCC[NH+]1CCCC1	ZINC001164715634	720189335	/nfs/dbraw/zinc/18/93/35/720189335.db2.gz	LJRFZGNEXQGHLV-FQEVSTJZSA-N	1	0	437.504	2.488	20	5		IEBDRO
Cn1nnc2c1CCN(c1nccc3cc([N+](=O)[O-])ccc31)[C@@H]2COCC[NH+]1CCCC1	ZINC001164716324	720205949	/nfs/dbraw/zinc/20/59/49/720205949.db2.gz	BRQKCMABNVLTMW-HXUWFJFHSA-N	1	0	437.504	2.488	20	5		IEBDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(/C=C\N(C)C)c([N+](=O)[O-])cn1)CCC2	ZINC001164813313	720235095	/nfs/dbraw/zinc/23/50/95/720235095.db2.gz	MQZDACYMMDIUTJ-YFHOEESVSA-N	1	0	441.536	2.329	20	5		IEBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164741624	720662342	/nfs/dbraw/zinc/66/23/42/720662342.db2.gz	UMEIOKDTIGHOCF-OLZOCXBDSA-N	1	0	427.852	2.323	20	5		IEBDRO
Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164738686	720739701	/nfs/dbraw/zinc/73/97/01/720739701.db2.gz	GWAWZRNTUARPJV-QZTJIDSGSA-N	1	0	433.472	2.492	20	5		IEBDRO
O=[N+]([O-])c1cc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)ccc1F	ZINC001164745428	720794674	/nfs/dbraw/zinc/79/46/74/720794674.db2.gz	KIMKJYDZPSTDFP-JKSUJKDBSA-N	1	0	437.435	2.323	20	5		IEBDRO
Cc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164751184	720810285	/nfs/dbraw/zinc/81/02/85/720810285.db2.gz	XGVFPGJTUSIYPP-BZUAXINKSA-N	1	0	432.916	2.318	20	5		IEBDRO
Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164751182	720810495	/nfs/dbraw/zinc/81/04/95/720810495.db2.gz	XGVFPGJTUSIYPP-ARFHVFGLSA-N	1	0	432.916	2.318	20	5		IEBDRO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1	ZINC001164740680	720816739	/nfs/dbraw/zinc/81/67/39/720816739.db2.gz	KORIRLMBSOCIAH-OWCLPIDISA-N	1	0	432.916	2.318	20	5		IEBDRO
CCOc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-]	ZINC001164744704	720840204	/nfs/dbraw/zinc/84/02/04/720840204.db2.gz	LEUCEHNERLIKSR-KZNAEPCWSA-N	1	0	427.509	2.359	20	5		IEBDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2	ZINC001164754177	720969804	/nfs/dbraw/zinc/96/98/04/720969804.db2.gz	OFOQGPYWDWFDPD-UHFFFAOYSA-N	1	0	445.867	2.034	20	5		IEBDRO
COc1cc2ncnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2cc1[N+](=O)[O-]	ZINC001164865322	721090941	/nfs/dbraw/zinc/09/09/41/721090941.db2.gz	KAPZVINRSVGFKJ-DLBZAZTESA-N	1	0	436.472	2.421	20	5		IEBDRO
CCOC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164875336	721174741	/nfs/dbraw/zinc/17/47/41/721174741.db2.gz	KXCVMXPZZGXBRJ-IAGOWNOFSA-N	1	0	427.461	2.041	20	5		IEBDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC3)CC1	ZINC001164794034	721512475	/nfs/dbraw/zinc/51/24/75/721512475.db2.gz	BYGSNAUTODVCMZ-UHFFFAOYSA-N	1	0	426.308	2.261	20	5		IEBDRO
O=[N+]([O-])c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c([N+](=O)[O-])c1	ZINC001164964307	722054574	/nfs/dbraw/zinc/05/45/74/722054574.db2.gz	UPMHROUHVYCIIF-UHFFFAOYSA-N	1	0	428.449	2.412	20	5		IEBDRO
CCOC(=O)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164973876	722152211	/nfs/dbraw/zinc/15/22/11/722152211.db2.gz	NHUPLIGVZMAQDH-IEBWSBKVSA-N	1	0	441.488	2.289	20	5		IEBDRO
COc1cc2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2cc1[N+](=O)[O-]	ZINC001165002663	722253622	/nfs/dbraw/zinc/25/36/22/722253622.db2.gz	SAKZWBNKCOBJJZ-UHFFFAOYSA-N	1	0	441.492	2.232	20	5		IEBDRO
Cn1nnc2c1CCN(c1nccc3ccc([N+](=O)[O-])cc31)[C@H]2COCC[NH+]1CCCC1	ZINC001164713846	720193703	/nfs/dbraw/zinc/19/37/03/720193703.db2.gz	FDEOUBDNJHZDLG-FQEVSTJZSA-N	1	0	437.504	2.488	20	5		IEBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1	ZINC001164837778	720641928	/nfs/dbraw/zinc/64/19/28/720641928.db2.gz	JJARXODGDFHSII-RCCFBDPRSA-N	1	0	442.524	2.226	20	5		IEBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1	ZINC001164838261	720647254	/nfs/dbraw/zinc/64/72/54/720647254.db2.gz	GTXFXPLYPVQXTP-XYJFISCASA-N	1	0	428.493	2.351	20	5		IEBDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC2	ZINC001164748616	720950212	/nfs/dbraw/zinc/95/02/12/720950212.db2.gz	AYGDCEJFCUZTNS-UHFFFAOYSA-N	1	0	429.264	2.139	20	5		IEBDRO
CCOC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164875340	721175917	/nfs/dbraw/zinc/17/59/17/721175917.db2.gz	KXCVMXPZZGXBRJ-SJORKVTESA-N	1	0	427.461	2.041	20	5		IEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)C1	ZINC001164869334	721270547	/nfs/dbraw/zinc/27/05/47/721270547.db2.gz	KMIVRTSITRHITG-UHFFFAOYSA-N	1	0	446.335	2.304	20	5		IEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)C1	ZINC001164868971	721270561	/nfs/dbraw/zinc/27/05/61/721270561.db2.gz	HUEQBFDOINGXFN-UHFFFAOYSA-N	1	0	427.505	2.150	20	5		IEBDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cnc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164890563	721389830	/nfs/dbraw/zinc/38/98/30/721389830.db2.gz	OGXHCGJMKVODQN-PGRDOPGGSA-N	1	0	426.521	2.303	20	5		IEBDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5cccc([N+](=O)[O-])c54)C3)O2)CC1	ZINC001164896795	721445771	/nfs/dbraw/zinc/44/57/71/721445771.db2.gz	RZUYFWQPPWTUPN-VGOFRKELSA-N	1	0	426.521	2.303	20	5		IEBDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC3)CC1	ZINC001164794015	721510838	/nfs/dbraw/zinc/51/08/38/721510838.db2.gz	AZXWRESBZLKGHI-UHFFFAOYSA-N	1	0	441.870	2.152	20	5		IEBDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(-c4ccccc4[N+](=O)[O-])nn2)CC3)CC1	ZINC001164795924	721520320	/nfs/dbraw/zinc/52/03/20/721520320.db2.gz	UYRUZSPOSPZMHX-UHFFFAOYSA-N	1	0	434.504	2.016	20	5		IEBDRO
O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)c(Cl)nn1	ZINC001164406218	718854695	/nfs/dbraw/zinc/85/46/95/718854695.db2.gz	MZVPZFWUKUAYAC-GTNSWQLSSA-N	1	0	425.823	2.268	20	5		IEBDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])CC2	ZINC001164690214	719742124	/nfs/dbraw/zinc/74/21/24/719742124.db2.gz	VEMXBPQVWUWXRP-UHFFFAOYSA-N	1	0	436.822	2.238	20	5		IEBDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)CCC2	ZINC001164813312	720234226	/nfs/dbraw/zinc/23/42/26/720234226.db2.gz	MQZDACYMMDIUTJ-JXMROGBWSA-N	1	0	441.536	2.329	20	5		IEBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1	ZINC001164835335	720514043	/nfs/dbraw/zinc/51/40/43/720514043.db2.gz	JZZKBVPAAFGVAR-HHXXYDBFSA-N	1	0	428.493	2.351	20	5		IEBDRO
CCOC(=O)c1nc(Cl)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1[N+](=O)[O-]	ZINC001164734263	720550645	/nfs/dbraw/zinc/55/06/45/720550645.db2.gz	YDHGBFZAZGDTJA-UHFFFAOYSA-N	1	0	449.899	2.070	20	5		IEBDRO
COC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-]	ZINC001164834618	720556220	/nfs/dbraw/zinc/55/62/20/720556220.db2.gz	FEYVKUBNFRAPAO-SOLBZPMBSA-N	1	0	428.493	2.351	20	5		IEBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164741631	720663103	/nfs/dbraw/zinc/66/31/03/720663103.db2.gz	UMEIOKDTIGHOCF-QWHCGFSZSA-N	1	0	427.852	2.323	20	5		IEBDRO
COc1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164738161	720825860	/nfs/dbraw/zinc/82/58/60/720825860.db2.gz	DWCHAVYLSKDCPE-RCCFBDPRSA-N	1	0	427.509	2.278	20	5		IEBDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1	ZINC001164852905	720877281	/nfs/dbraw/zinc/87/72/81/720877281.db2.gz	AHBQHGMGJYFSOX-GHMZBOCLSA-N	1	0	439.822	2.231	20	5		IEBDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])CC2	ZINC001164750734	720950350	/nfs/dbraw/zinc/95/03/50/720950350.db2.gz	NAROFYBCVCXMEX-UHFFFAOYSA-N	1	0	445.867	2.034	20	5		IEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)C1	ZINC001164873790	721292363	/nfs/dbraw/zinc/29/23/63/721292363.db2.gz	ALIFCHBFEZDKAR-UHFFFAOYSA-N	1	0	427.505	2.150	20	5		IEBDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncnc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889415	721405611	/nfs/dbraw/zinc/40/56/11/721405611.db2.gz	QFVFWADGJSJTKS-XMSQKQJNSA-N	1	0	426.521	2.303	20	5		IEBDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5cccc([N+](=O)[O-])c54)C3)O2)CC1	ZINC001164896791	721445777	/nfs/dbraw/zinc/44/57/77/721445777.db2.gz	RZUYFWQPPWTUPN-HTAPYJJXSA-N	1	0	426.521	2.303	20	5		IEBDRO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1	ZINC001164999908	722251143	/nfs/dbraw/zinc/25/11/43/722251143.db2.gz	IWIPAWUTGZIDLZ-UHFFFAOYSA-N	1	0	441.945	2.445	20	5		IEBDRO
CSc1nc(Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1[N+](=O)[O-]	ZINC001165002217	722254085	/nfs/dbraw/zinc/25/40/85/722254085.db2.gz	LQFCTCDVQSNBFM-UHFFFAOYSA-N	1	0	441.945	2.445	20	5		IEBDRO
O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2C[C@H]3C[NH2+]C[C@]3(CO)C2)c(Cl)nn1	ZINC001164406220	718854701	/nfs/dbraw/zinc/85/47/01/718854701.db2.gz	MZVPZFWUKUAYAC-PIGZYNQJSA-N	1	0	425.823	2.268	20	5		IEBDRO
O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3C[C@H]4C[NH2+]C[C@]4(CO)C3)c(Cl)nn2)cc1	ZINC001164402559	718854838	/nfs/dbraw/zinc/85/48/38/718854838.db2.gz	FXKRNDMGZSKJBE-SJKOYZFVSA-N	1	0	425.823	2.268	20	5		IEBDRO
O=[N+]([O-])c1cnc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc1C1C[NH2+]C1	ZINC001164677095	719532287	/nfs/dbraw/zinc/53/22/87/719532287.db2.gz	BXQLNAVEJMPBRI-UHFFFAOYSA-N	1	0	442.495	2.082	20	5		IEBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(C(=O)OC)c1[N+](=O)[O-])C2	ZINC001164806395	720086280	/nfs/dbraw/zinc/08/62/80/720086280.db2.gz	BZWWQMWIFXXOIP-ORAYPTAESA-N	1	0	439.900	2.010	20	5		IEBDRO
CCOC(=O)c1ccnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC001164831715	720349621	/nfs/dbraw/zinc/34/96/21/720349621.db2.gz	ZZYOAHBOWGFCSA-MSOLQXFVSA-N	1	0	445.520	2.078	20	5		IEBDRO
CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC001164831718	720349723	/nfs/dbraw/zinc/34/97/23/720349723.db2.gz	ZZYOAHBOWGFCSA-ZWKOTPCHSA-N	1	0	445.520	2.078	20	5		IEBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1	ZINC001164835337	720514351	/nfs/dbraw/zinc/51/43/51/720514351.db2.gz	JZZKBVPAAFGVAR-SZVBFZGTSA-N	1	0	428.493	2.351	20	5		IEBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164741635	720663702	/nfs/dbraw/zinc/66/37/02/720663702.db2.gz	UMEIOKDTIGHOCF-STQMWFEESA-N	1	0	427.852	2.323	20	5		IEBDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])CC[C@H]2C1	ZINC001164852910	720877048	/nfs/dbraw/zinc/87/70/48/720877048.db2.gz	AHBQHGMGJYFSOX-WDEREUQCSA-N	1	0	439.822	2.231	20	5		IEBDRO
COC(=O)c1nc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-]	ZINC001164859202	720935927	/nfs/dbraw/zinc/93/59/27/720935927.db2.gz	LCKYMRFLHAVQRS-NSHDSACASA-N	1	0	437.888	2.443	20	5		IEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc4cccc([N+](=O)[O-])c4n3)CC2)C1	ZINC001164870429	721270750	/nfs/dbraw/zinc/27/07/50/721270750.db2.gz	YNVCQRYUWCPOMU-UHFFFAOYSA-N	1	0	427.505	2.150	20	5		IEBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC2)C1	ZINC001164869387	721271122	/nfs/dbraw/zinc/27/11/22/721271122.db2.gz	NBESFUUZQLENFF-UHFFFAOYSA-N	1	0	427.505	2.150	20	5		IEBDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164890562	721388586	/nfs/dbraw/zinc/38/85/86/721388586.db2.gz	OGXHCGJMKVODQN-GCJKJVERSA-N	1	0	426.521	2.303	20	5		IEBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc(OC)c1[N+](=O)[O-])CC2	ZINC001164789227	721460027	/nfs/dbraw/zinc/46/00/27/721460027.db2.gz	VXKDRTLPUQILMU-QGZVFWFLSA-N	1	0	435.525	2.127	20	5		IEBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(C)c([N+](=O)[O-])cc[n+]1[O-])CC2	ZINC001164789357	721463067	/nfs/dbraw/zinc/46/30/67/721463067.db2.gz	XGYIRCAQUUIGHS-IBGZPJMESA-N	1	0	434.537	2.271	20	5		IEBDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC3)CC1	ZINC001164794670	721508944	/nfs/dbraw/zinc/50/89/44/721508944.db2.gz	CFRWLGPZGODFKF-UHFFFAOYSA-N	1	0	441.870	2.152	20	5		IEBDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc4ccc([N+](=O)[O-])cc42)CC3)CC1	ZINC001164794046	721511282	/nfs/dbraw/zinc/51/12/82/721511282.db2.gz	CNPRFHNBLHUMNU-UHFFFAOYSA-N	1	0	442.911	2.156	20	5		IEBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1	ZINC001164904765	721565288	/nfs/dbraw/zinc/56/52/88/721565288.db2.gz	FQAGEXKFDPUDCP-RDJZCZTQSA-N	1	0	430.440	2.133	20	5		IEBDRO