smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cccc([N+](=O)[O-])n3)CC2)c2ccccc21	ZINC001164685307	719661471	/nfs/dbraw/zinc/66/14/71/719661471.db2.gz	ZBQREESZQCUQEE-SFHVURJKSA-N	1	0	437.544	3.083	20	5		IGBDRO
O=[N+]([O-])c1cccc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c21	ZINC001164706279	719902770	/nfs/dbraw/zinc/90/27/70/719902770.db2.gz	GXIYRFUHRGONFA-UHFFFAOYSA-N	1	0	425.514	3.471	20	5		IGBDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(/C=C/N(C)C)c([N+](=O)[O-])cn3)CC[C@@H]21	ZINC001164839806	720597998	/nfs/dbraw/zinc/59/79/98/720597998.db2.gz	OQQGSTXZSYKAHH-KQOSPKRVSA-N	1	0	439.564	3.096	20	5		IGBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC001164870510	721193353	/nfs/dbraw/zinc/19/33/53/721193353.db2.gz	VIQQAFGMLFCRQX-IRXDYDNUSA-N	1	0	440.891	3.066	20	5		IGBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])cc(Cl)n1)CC2	ZINC001164786576	721450061	/nfs/dbraw/zinc/45/00/61/721450061.db2.gz	MZFNCTKCWPOIOK-GOSISDBHSA-N	1	0	438.956	3.377	20	5		IGBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)CC2	ZINC001164788505	721462285	/nfs/dbraw/zinc/46/22/85/721462285.db2.gz	SYRACPMGYFZWOI-SFHVURJKSA-N	1	0	443.548	3.205	20	5		IGBDRO
COc1cc2ncnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2cc1[N+](=O)[O-]	ZINC001164952433	722017987	/nfs/dbraw/zinc/01/79/87/722017987.db2.gz	KBQKZYXGGWYAFH-UHFFFAOYSA-N	1	0	434.500	3.434	20	5		IGBDRO
O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164971930	722114084	/nfs/dbraw/zinc/11/40/84/722114084.db2.gz	DTWOLPLZZAUVEN-GDBMZVCRSA-N	1	0	438.315	3.419	20	5		IGBDRO
O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)c(Cl)nn1	ZINC001164409515	718865785	/nfs/dbraw/zinc/86/57/85/718865785.db2.gz	RBGKMRRSYFQQSA-PXAZEXFGSA-N	1	0	439.850	3.065	20	5		IGBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001164813097	720074209	/nfs/dbraw/zinc/07/42/09/720074209.db2.gz	SMDLUMNNCIVUOQ-CRAIPNDOSA-N	1	0	430.883	3.373	20	5		IGBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001164805873	720090035	/nfs/dbraw/zinc/09/00/35/720090035.db2.gz	AIFZXTHCYZQYJV-KBXCAEBGSA-N	1	0	430.883	3.373	20	5		IGBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)CC2	ZINC001164711019	720100949	/nfs/dbraw/zinc/10/09/49/720100949.db2.gz	NARRYSVDNZLLGQ-FQEVSTJZSA-N	1	0	448.527	3.441	20	5		IGBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)C2	ZINC001164816928	720189281	/nfs/dbraw/zinc/18/92/81/720189281.db2.gz	NTIVWFNFJROCQT-WZONZLPQSA-N	1	0	441.507	3.376	20	5		IGBDRO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1	ZINC001164733753	720559556	/nfs/dbraw/zinc/55/95/56/720559556.db2.gz	RIWCZIDLWSDYBK-UHFFFAOYSA-N	1	0	426.855	3.043	20	5		IGBDRO
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2	ZINC001164844540	720676858	/nfs/dbraw/zinc/67/68/58/720676858.db2.gz	SVWBBDSTXXSBQR-GOSISDBHSA-N	1	0	427.461	3.158	20	5		IGBDRO
O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1	ZINC001164748160	720858950	/nfs/dbraw/zinc/85/89/50/720858950.db2.gz	KUPQTKSBBYBETL-CZTZKLFOSA-N	1	0	433.516	3.114	20	5		IGBDRO
Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c([N+](=O)[O-])c1	ZINC001164750447	720871826	/nfs/dbraw/zinc/87/18/26/720871826.db2.gz	JCUXEHAQRSQFJA-ZJSXRUAMSA-N	1	0	437.544	3.448	20	5		IGBDRO
Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c([N+](=O)[O-])c1	ZINC001164750439	720872036	/nfs/dbraw/zinc/87/20/36/720872036.db2.gz	JCUXEHAQRSQFJA-URXFXBBRSA-N	1	0	437.544	3.448	20	5		IGBDRO
COc1cc2ncnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2cc1[N+](=O)[O-]	ZINC001164860069	720964305	/nfs/dbraw/zinc/96/43/05/720964305.db2.gz	POGCCUBHBXZOMS-CQSZACIVSA-N	1	0	425.493	3.165	20	5		IGBDRO
CCOC(=O)C1CC[NH+](C2CCN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)CC2)CC1	ZINC001164618856	719035087	/nfs/dbraw/zinc/03/50/87/719035087.db2.gz	ZDDDSTIVLFTRFJ-UHFFFAOYSA-N	1	0	447.923	3.435	20	5		IGBDRO
COC(=O)c1cnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c([N+](=O)[O-])c1	ZINC001164693856	719806554	/nfs/dbraw/zinc/80/65/54/719806554.db2.gz	RUGZQWAFXXYJJJ-UHFFFAOYSA-N	1	0	431.518	3.176	20	5		IGBDRO
O=[N+]([O-])c1ccc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1	ZINC001164695310	719891516	/nfs/dbraw/zinc/89/15/16/719891516.db2.gz	MWHWZPOPWDMRRH-UHFFFAOYSA-N	1	0	425.514	3.471	20	5		IGBDRO
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2	ZINC001164695676	719891602	/nfs/dbraw/zinc/89/16/02/719891602.db2.gz	QOBUMJSZNDCXNZ-UHFFFAOYSA-N	1	0	425.514	3.471	20	5		IGBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc(Cl)c1[N+](=O)[O-])CC2	ZINC001164711525	720102688	/nfs/dbraw/zinc/10/26/88/720102688.db2.gz	QJEHRIXXTXBHRA-KRWDZBQOSA-N	1	0	446.939	3.249	20	5		IGBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)CC2	ZINC001164711120	720105056	/nfs/dbraw/zinc/10/50/56/720105056.db2.gz	OLMJATNYTKKWHA-HXUWFJFHSA-N	1	0	448.527	3.441	20	5		IGBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3ccc([N+](=O)[O-])cc31)CC2	ZINC001164714112	720113684	/nfs/dbraw/zinc/11/36/84/720113684.db2.gz	ABAIGSPSDNCMHM-HXUWFJFHSA-N	1	0	448.527	3.441	20	5		IGBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)C2	ZINC001164816927	720188279	/nfs/dbraw/zinc/18/82/79/720188279.db2.gz	NTIVWFNFJROCQT-MBSDFSHPSA-N	1	0	441.507	3.376	20	5		IGBDRO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1	ZINC001164725286	720340607	/nfs/dbraw/zinc/34/06/07/720340607.db2.gz	NIRXBFFDTLWWCF-JKSUJKDBSA-N	1	0	431.880	3.068	20	5		IGBDRO
O=[N+]([O-])c1ccc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1Cl	ZINC001164733300	720555984	/nfs/dbraw/zinc/55/59/84/720555984.db2.gz	KWEOWEULZZTPKJ-UHFFFAOYSA-N	1	0	426.855	3.043	20	5		IGBDRO
CCc1cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164736331	720586722	/nfs/dbraw/zinc/58/67/22/720586722.db2.gz	IXJVZETYJUUBLP-UHFFFAOYSA-N	1	0	447.543	3.469	20	5		IGBDRO
O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164745756	720838200	/nfs/dbraw/zinc/83/82/00/720838200.db2.gz	NESDWGBJVKGLSX-SFHLNBCPSA-N	1	0	433.516	3.114	20	5		IGBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164868627	721068654	/nfs/dbraw/zinc/06/86/54/721068654.db2.gz	OUQXNGPVNRAOEB-JKSUJKDBSA-N	1	0	440.891	3.066	20	5		IGBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C[C@@H]3C2)cn1	ZINC001164764840	721153732	/nfs/dbraw/zinc/15/37/32/721153732.db2.gz	IEAGSJNWQKLNMS-CVEARBPZSA-N	1	0	426.908	3.488	20	5		IGBDRO
Cc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164879014	721158976	/nfs/dbraw/zinc/15/89/76/721158976.db2.gz	RGZDWNBINZKBTR-FCHUYYIVSA-N	1	0	446.511	3.235	20	5		IGBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001164805874	720089683	/nfs/dbraw/zinc/08/96/83/720089683.db2.gz	AIFZXTHCYZQYJV-KDOFPFPSSA-N	1	0	430.883	3.373	20	5		IGBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)C2	ZINC001164805894	720093901	/nfs/dbraw/zinc/09/39/01/720093901.db2.gz	ALUMQXXKZVWAMS-QVKFZJNVSA-N	1	0	431.924	3.376	20	5		IGBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001164807968	720098193	/nfs/dbraw/zinc/09/81/93/720098193.db2.gz	GSIIBVVSCCBWRI-KSSFIOAISA-N	1	0	430.883	3.373	20	5		IGBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)nc(Cl)c1[N+](=O)[O-])CC2	ZINC001164711526	720102031	/nfs/dbraw/zinc/10/20/31/720102031.db2.gz	QJEHRIXXTXBHRA-QGZVFWFLSA-N	1	0	446.939	3.249	20	5		IGBDRO
CCOc1nc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)ccc1[N+](=O)[O-]	ZINC001164710855	720132746	/nfs/dbraw/zinc/13/27/46/720132746.db2.gz	DXGNGOTXCOVPCN-LJQANCHMSA-N	1	0	441.532	3.291	20	5		IGBDRO
Cn1nnc2c1CCN(c1ccc3ccc4cccnc4c3n1)[C@@H]2COCC[NH+]1CCCC1	ZINC001164717706	720173620	/nfs/dbraw/zinc/17/36/20/720173620.db2.gz	LQHCBNBRIBUPAH-OAQYLSRUSA-N	1	0	443.555	3.128	20	5		IGBDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1	ZINC001164820487	720307050	/nfs/dbraw/zinc/30/70/50/720307050.db2.gz	HDZGEXVTNJPPOR-LSDHHAIUSA-N	1	0	442.347	3.208	20	5		IGBDRO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1	ZINC001164725284	720340879	/nfs/dbraw/zinc/34/08/79/720340879.db2.gz	NIRXBFFDTLWWCF-HZPDHXFCSA-N	1	0	431.880	3.068	20	5		IGBDRO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1	ZINC001164733404	720557105	/nfs/dbraw/zinc/55/71/05/720557105.db2.gz	MVPGSXOSEKYLSP-UHFFFAOYSA-N	1	0	427.896	3.046	20	5		IGBDRO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1Cl	ZINC001164869487	721064538	/nfs/dbraw/zinc/06/45/38/721064538.db2.gz	SYBLVLHUZDVKLH-LSDHHAIUSA-N	1	0	439.850	3.063	20	5		IGBDRO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1	ZINC001164869482	721072768	/nfs/dbraw/zinc/07/27/68/721072768.db2.gz	SXNRWIGLHHAPNP-HZPDHXFCSA-N	1	0	439.850	3.063	20	5		IGBDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164887689	721407882	/nfs/dbraw/zinc/40/78/82/721407882.db2.gz	MFRLZURXEVFUKW-LIRRHRJNSA-N	1	0	444.363	3.062	20	5		IGBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)ncc1[N+](=O)[O-])CC2	ZINC001164784472	721453302	/nfs/dbraw/zinc/45/33/02/721453302.db2.gz	FNPQSIIOJGTMPY-QGZVFWFLSA-N	1	0	438.956	3.377	20	5		IGBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])CC2	ZINC001164783667	721458544	/nfs/dbraw/zinc/45/85/44/721458544.db2.gz	FFSIYUWVILFHOO-LJQANCHMSA-N	1	0	448.564	3.041	20	5		IGBDRO
CSc1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164911463	721538135	/nfs/dbraw/zinc/53/81/35/721538135.db2.gz	WTDRGOPJOGLWSZ-JSGCOSHPSA-N	1	0	439.900	3.241	20	5		IGBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1	ZINC001165021618	721818046	/nfs/dbraw/zinc/81/80/46/721818046.db2.gz	FGSZZRFFLBQENH-ZLGUVYLKSA-N	1	0	439.516	3.298	20	5		IGBDRO
C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc([N+](=O)[O-])ccn3)CC2)c2ccccc21	ZINC001164680677	719657763	/nfs/dbraw/zinc/65/77/63/719657763.db2.gz	HIOPRILQGYPWRX-SFHVURJKSA-N	1	0	437.544	3.083	20	5		IGBDRO
COC(=O)c1ccnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1[N+](=O)[O-]	ZINC001164692033	719809802	/nfs/dbraw/zinc/80/98/02/719809802.db2.gz	FFULLOBFJHVGHE-UHFFFAOYSA-N	1	0	431.518	3.176	20	5		IGBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001164813099	720073931	/nfs/dbraw/zinc/07/39/31/720073931.db2.gz	SMDLUMNNCIVUOQ-QAPCUYQASA-N	1	0	430.883	3.373	20	5		IGBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001164805875	720090574	/nfs/dbraw/zinc/09/05/74/720090574.db2.gz	AIFZXTHCYZQYJV-KSSFIOAISA-N	1	0	430.883	3.373	20	5		IGBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(C)c1[N+](=O)[O-])CC2	ZINC001164710238	720095781	/nfs/dbraw/zinc/09/57/81/720095781.db2.gz	HUDGZNKPTYIGOE-KRWDZBQOSA-N	1	0	446.939	3.249	20	5		IGBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC2	ZINC001164713602	720130367	/nfs/dbraw/zinc/13/03/67/720130367.db2.gz	SQEQXSFQGNNVPE-SFHVURJKSA-N	1	0	436.516	3.374	20	5		IGBDRO
O=[N+]([O-])c1cc(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cnc1Cl	ZINC001164838629	720737586	/nfs/dbraw/zinc/73/75/86/720737586.db2.gz	UGGOBJBTODKJRP-UHFFFAOYSA-N	1	0	426.855	3.437	20	5		IGBDRO
Cc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1	ZINC001164751508	720870887	/nfs/dbraw/zinc/87/08/87/720870887.db2.gz	KOFMFYMGUNCIKL-URXFXBBRSA-N	1	0	437.544	3.448	20	5		IGBDRO
Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164879018	721159783	/nfs/dbraw/zinc/15/97/83/721159783.db2.gz	RGZDWNBINZKBTR-VXKWHMMOSA-N	1	0	446.511	3.235	20	5		IGBDRO
Cc1cc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164762053	721214086	/nfs/dbraw/zinc/21/40/86/721214086.db2.gz	CEBGNESCKJLJNB-WOJBJXKFSA-N	1	0	433.516	3.052	20	5		IGBDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C3)O2)CC1	ZINC001164894452	721397765	/nfs/dbraw/zinc/39/77/65/721397765.db2.gz	YDTJTFWGPSACGV-KUHUBIRLSA-N	1	0	444.363	3.062	20	5		IGBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2	ZINC001164785675	721461350	/nfs/dbraw/zinc/46/13/50/721461350.db2.gz	MOWMTQICXMJZAQ-FQEVSTJZSA-N	1	0	432.565	3.341	20	5		IGBDRO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164898068	721522692	/nfs/dbraw/zinc/52/26/92/721522692.db2.gz	HPLQNMPTDHGGBZ-YPMHNXCESA-N	1	0	428.251	3.173	20	5		IGBDRO
Cc1nc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-]	ZINC001164905079	721584087	/nfs/dbraw/zinc/58/40/87/721584087.db2.gz	RZJPEBFXLIJTLV-SFHVURJKSA-N	1	0	438.866	3.479	20	5		IGBDRO
COc1cc(C)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-]	ZINC001164904098	721701703	/nfs/dbraw/zinc/70/17/03/721701703.db2.gz	CYPNALVUDYARKV-HXUWFJFHSA-N	1	0	433.459	3.440	20	5		IGBDRO
Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1	ZINC001164964901	722054819	/nfs/dbraw/zinc/05/48/19/722054819.db2.gz	ZHCPGQCLQFGXSV-UHFFFAOYSA-N	1	0	431.924	3.466	20	5		IGBDRO
CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)CC2)CC1	ZINC001164617898	719031561	/nfs/dbraw/zinc/03/15/61/719031561.db2.gz	OYVBCJHCPZTWME-UHFFFAOYSA-N	1	0	439.516	3.296	20	5		IGBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])C2	ZINC001164806380	720094072	/nfs/dbraw/zinc/09/40/72/720094072.db2.gz	BTFZPABSRLCNTO-YCRPNKLZSA-N	1	0	431.924	3.376	20	5		IGBDRO
O=[N+]([O-])c1cc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cnc1Cl	ZINC001164734168	720551471	/nfs/dbraw/zinc/55/14/71/720551471.db2.gz	XEGFPHYXLWRPBU-UHFFFAOYSA-N	1	0	426.855	3.043	20	5		IGBDRO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1	ZINC001164869436	721068076	/nfs/dbraw/zinc/06/80/76/721068076.db2.gz	STAAZFUJFQDCAG-IAGOWNOFSA-N	1	0	440.891	3.066	20	5		IGBDRO
Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164866964	721121820	/nfs/dbraw/zinc/12/18/20/721121820.db2.gz	VPNHJIDUSGXSQH-RTWAWAEBSA-N	1	0	446.511	3.235	20	5		IGBDRO
Cc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc2ccc([N+](=O)[O-])cc12	ZINC001164886691	721395842	/nfs/dbraw/zinc/39/58/42/721395842.db2.gz	FLPSVCXZRCPWBW-HYBUGGRVSA-N	1	0	439.560	3.217	20	5		IGBDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164887687	721408166	/nfs/dbraw/zinc/40/81/66/721408166.db2.gz	MFRLZURXEVFUKW-IFXJQAMLSA-N	1	0	444.363	3.062	20	5		IGBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2	ZINC001164785677	721461482	/nfs/dbraw/zinc/46/14/82/721461482.db2.gz	MOWMTQICXMJZAQ-HXUWFJFHSA-N	1	0	432.565	3.341	20	5		IGBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1	ZINC001164795439	721497877	/nfs/dbraw/zinc/49/78/77/721497877.db2.gz	HAOWWMNASNWMRL-UHFFFAOYSA-N	1	0	439.516	3.443	20	5		IGBDRO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1	ZINC001164900498	721516281	/nfs/dbraw/zinc/51/62/81/721516281.db2.gz	RLLQAWOBNGTZAX-JSGCOSHPSA-N	1	0	439.900	3.241	20	5		IGBDRO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164898055	721522874	/nfs/dbraw/zinc/52/28/74/721522874.db2.gz	HPLQNMPTDHGGBZ-AAEUAGOBSA-N	1	0	428.251	3.173	20	5		IGBDRO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164898064	721523127	/nfs/dbraw/zinc/52/31/27/721523127.db2.gz	HPLQNMPTDHGGBZ-DGCLKSJQSA-N	1	0	428.251	3.173	20	5		IGBDRO
CN(C)/C=C\c1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001164906019	721551926	/nfs/dbraw/zinc/55/19/26/721551926.db2.gz	IIQWTMCIHCPOGR-CWHLKURSSA-N	1	0	427.480	3.003	20	5		IGBDRO
CN(C)/C=C/c1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001164906026	721551982	/nfs/dbraw/zinc/55/19/82/721551982.db2.gz	IIQWTMCIHCPOGR-KQPGTDLCSA-N	1	0	427.480	3.003	20	5		IGBDRO
O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164986440	722107983	/nfs/dbraw/zinc/10/79/83/722107983.db2.gz	ZAVHUFCFMCNJQV-YOEHRIQHSA-N	1	0	438.315	3.419	20	5		IGBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)CC2	ZINC001164715558	720126598	/nfs/dbraw/zinc/12/65/98/720126598.db2.gz	HXDXTRFJXKHUIS-SFHVURJKSA-N	1	0	436.516	3.374	20	5		IGBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1	ZINC001164740222	720596830	/nfs/dbraw/zinc/59/68/30/720596830.db2.gz	HVJIFHOCNFQPKO-UHFFFAOYSA-N	1	0	427.896	3.046	20	5		IGBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1	ZINC001164836895	720730100	/nfs/dbraw/zinc/73/01/00/720730100.db2.gz	HWTPOPZQZHLJQR-GOSISDBHSA-N	1	0	440.500	3.036	20	5		IGBDRO
CCOc1nc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)ccc1[N+](=O)[O-]	ZINC001164790255	721463540	/nfs/dbraw/zinc/46/35/40/721463540.db2.gz	ZWWNIPWOVMJMSW-IBGZPJMESA-N	1	0	448.564	3.122	20	5		IGBDRO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164898066	721522580	/nfs/dbraw/zinc/52/25/80/721522580.db2.gz	HPLQNMPTDHGGBZ-WCQYABFASA-N	1	0	428.251	3.173	20	5		IGBDRO
O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1	ZINC001164906600	721708376	/nfs/dbraw/zinc/70/83/76/721708376.db2.gz	NCYHKPWKFDZCFQ-SFHVURJKSA-N	1	0	439.850	3.014	20	5		IGBDRO
O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164971931	722113544	/nfs/dbraw/zinc/11/35/44/722113544.db2.gz	DTWOLPLZZAUVEN-GOEBONIOSA-N	1	0	438.315	3.419	20	5		IGBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)C2	ZINC001164805896	720094223	/nfs/dbraw/zinc/09/42/23/720094223.db2.gz	ALUMQXXKZVWAMS-YCRPNKLZSA-N	1	0	431.924	3.376	20	5		IGBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])C2	ZINC001164815091	720171577	/nfs/dbraw/zinc/17/15/77/720171577.db2.gz	IAQMDGNFZRBKNM-SJKOYZFVSA-N	1	0	449.861	3.242	20	5		IGBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1	ZINC001164734329	720557112	/nfs/dbraw/zinc/55/71/12/720557112.db2.gz	ZDJDIFPPGOJRIZ-UHFFFAOYSA-N	1	0	427.896	3.046	20	5		IGBDRO
CC(C)Oc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1[N+](=O)[O-]	ZINC001164840279	720618166	/nfs/dbraw/zinc/61/81/66/720618166.db2.gz	PRHRYCYKOFAUQE-GUDVDZBRSA-N	1	0	428.537	3.351	20	5		IGBDRO
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2	ZINC001164844834	720693119	/nfs/dbraw/zinc/69/31/19/720693119.db2.gz	VIOKCWSGKOVKSN-KRWDZBQOSA-N	1	0	432.908	3.142	20	5		IGBDRO
O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc21	ZINC001164743303	720826587	/nfs/dbraw/zinc/82/65/87/720826587.db2.gz	RZANOPDPYDFIGP-DBXWQHBBSA-N	1	0	433.516	3.114	20	5		IGBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1	ZINC001164870508	721190252	/nfs/dbraw/zinc/19/02/52/721190252.db2.gz	VIQQAFGMLFCRQX-IAGOWNOFSA-N	1	0	440.891	3.066	20	5		IGBDRO
Cc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc2ccc([N+](=O)[O-])cc12	ZINC001164886693	721395171	/nfs/dbraw/zinc/39/51/71/721395171.db2.gz	FLPSVCXZRCPWBW-RDPSFJRHSA-N	1	0	439.560	3.217	20	5		IGBDRO
CN(C)/C=C\c1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001164906022	721552124	/nfs/dbraw/zinc/55/21/24/721552124.db2.gz	IIQWTMCIHCPOGR-DDRDIHNTSA-N	1	0	427.480	3.003	20	5		IGBDRO
O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1	ZINC001164906598	721706538	/nfs/dbraw/zinc/70/65/38/721706538.db2.gz	NCYHKPWKFDZCFQ-GOSISDBHSA-N	1	0	439.850	3.014	20	5		IGBDRO
CCOc1nc(N2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)ccc1[N+](=O)[O-]	ZINC001164710854	720130696	/nfs/dbraw/zinc/13/06/96/720130696.db2.gz	DXGNGOTXCOVPCN-IBGZPJMESA-N	1	0	441.532	3.291	20	5		IGBDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1	ZINC001164820483	720307205	/nfs/dbraw/zinc/30/72/05/720307205.db2.gz	HDZGEXVTNJPPOR-CABCVRRESA-N	1	0	442.347	3.208	20	5		IGBDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1	ZINC001164823840	720315186	/nfs/dbraw/zinc/31/51/86/720315186.db2.gz	QDVFVBYAERFTHH-HUUCEWRRSA-N	1	0	442.347	3.208	20	5		IGBDRO
CC(C)Oc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1[N+](=O)[O-]	ZINC001164840277	720617607	/nfs/dbraw/zinc/61/76/07/720617607.db2.gz	PRHRYCYKOFAUQE-GBESFXJTSA-N	1	0	428.537	3.351	20	5		IGBDRO
O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164745754	720838149	/nfs/dbraw/zinc/83/81/49/720838149.db2.gz	NESDWGBJVKGLSX-IRFCIJBXSA-N	1	0	433.516	3.114	20	5		IGBDRO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl	ZINC001164866554	721048944	/nfs/dbraw/zinc/04/89/44/721048944.db2.gz	FITBHFNTJMUUPT-CVEARBPZSA-N	1	0	439.850	3.063	20	5		IGBDRO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl	ZINC001164869486	721065457	/nfs/dbraw/zinc/06/54/57/721065457.db2.gz	SYBLVLHUZDVKLH-HUUCEWRRSA-N	1	0	439.850	3.063	20	5		IGBDRO
CCc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164771404	721215161	/nfs/dbraw/zinc/21/51/61/721215161.db2.gz	PLIRBUHSNPVTLT-VQTJNVASSA-N	1	0	447.543	3.306	20	5		IGBDRO
COc1cc(C)nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1[N+](=O)[O-]	ZINC001164939789	721925109	/nfs/dbraw/zinc/92/51/09/721925109.db2.gz	NCQBIVFFULMUSB-UHFFFAOYSA-N	1	0	426.517	3.487	20	5		IGBDRO
C[NH+](C)CCOCc1ncn2c1CN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CCC2	ZINC001165000304	722252871	/nfs/dbraw/zinc/25/28/71/722252871.db2.gz	NVRJFQCJZCMVMU-UHFFFAOYSA-N	1	0	444.923	3.481	20	5		IGBDRO
CCOC(=O)c1nc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-]	ZINC001164620226	719057019	/nfs/dbraw/zinc/05/70/19/719057019.db2.gz	FROBMPRAQILXPT-CVEARBPZSA-N	1	0	445.907	3.316	20	5		IGBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1	ZINC001164701027	719817045	/nfs/dbraw/zinc/81/70/45/719817045.db2.gz	NROMJORIYRAKSE-UHFFFAOYSA-N	1	0	431.518	3.176	20	5		IGBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)C2	ZINC001164810224	720201347	/nfs/dbraw/zinc/20/13/47/720201347.db2.gz	AOPGDHQXTUOGTG-YCRPNKLZSA-N	1	0	431.924	3.376	20	5		IGBDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CCC2	ZINC001164813526	720218035	/nfs/dbraw/zinc/21/80/35/720218035.db2.gz	NNJWIEOFTOERAT-UHFFFAOYSA-N	1	0	441.319	3.104	20	5		IGBDRO
Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164749118	720870919	/nfs/dbraw/zinc/87/09/19/720870919.db2.gz	GXVLEXDAOWIVQF-QPPBQGQZSA-N	1	0	437.544	3.448	20	5		IGBDRO
O=[N+]([O-])c1cc(F)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1	ZINC001164749152	720878395	/nfs/dbraw/zinc/87/83/95/720878395.db2.gz	HJDNVARWCRGQDY-AUSIDOKSSA-N	1	0	441.507	3.279	20	5		IGBDRO
CSc1nc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-]	ZINC001164859041	720970527	/nfs/dbraw/zinc/97/05/27/720970527.db2.gz	KOIFCPXZEIJJLQ-LLVKDONJSA-N	1	0	425.946	3.378	20	5		IGBDRO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl	ZINC001164869484	721064272	/nfs/dbraw/zinc/06/42/72/721064272.db2.gz	SYBLVLHUZDVKLH-CABCVRRESA-N	1	0	439.850	3.063	20	5		IGBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1	ZINC001164771891	721203041	/nfs/dbraw/zinc/20/30/41/721203041.db2.gz	RTJAGOGDRCZKDP-HOTGVXAUSA-N	1	0	426.908	3.488	20	5		IGBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164760150	721240815	/nfs/dbraw/zinc/24/08/15/721240815.db2.gz	CPXABQLIAWACDN-IRXDYDNUSA-N	1	0	426.908	3.488	20	5		IGBDRO
COc1cc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1[N+](=O)[O-]	ZINC001164911926	721535875	/nfs/dbraw/zinc/53/58/75/721535875.db2.gz	XMRKLQOQYZPBBO-WBVHZDCISA-N	1	0	439.447	3.028	20	5		IGBDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC1	ZINC001165013090	721750134	/nfs/dbraw/zinc/75/01/34/721750134.db2.gz	UCKCLYYMVDDBBH-UHFFFAOYSA-N	1	0	431.924	3.319	20	5		IGBDRO
O=[N+]([O-])c1ccc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1	ZINC001164964882	722055157	/nfs/dbraw/zinc/05/51/57/722055157.db2.gz	YZQQYCOJULSXAE-UHFFFAOYSA-N	1	0	434.500	3.052	20	5		IGBDRO
C[NH+](C)CCOCc1ncn2c1CN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)CCC2	ZINC001165002857	722254563	/nfs/dbraw/zinc/25/45/63/722254563.db2.gz	UTRLHBVJWSRANF-UHFFFAOYSA-N	1	0	444.923	3.481	20	5		IGBDRO
CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])CC2)CC1	ZINC001164616434	719028159	/nfs/dbraw/zinc/02/81/59/719028159.db2.gz	FABOIIBAZDEZMR-UHFFFAOYSA-N	1	0	443.957	3.004	20	5		IGBDRO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1	ZINC001164725280	720341283	/nfs/dbraw/zinc/34/12/83/720341283.db2.gz	NIRXBFFDTLWWCF-CVEARBPZSA-N	1	0	431.880	3.068	20	5		IGBDRO
COC(=O)c1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c([N+](=O)[O-])c1	ZINC001164842774	720678318	/nfs/dbraw/zinc/67/83/18/720678318.db2.gz	NEDNZVBSKOTTID-IBGZPJMESA-N	1	0	440.500	3.036	20	5		IGBDRO
Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1	ZINC001164751513	720871089	/nfs/dbraw/zinc/87/10/89/720871089.db2.gz	KOFMFYMGUNCIKL-ZJSXRUAMSA-N	1	0	437.544	3.448	20	5		IGBDRO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1Cl	ZINC001164869485	721065082	/nfs/dbraw/zinc/06/50/82/721065082.db2.gz	SYBLVLHUZDVKLH-GJZGRUSLSA-N	1	0	439.850	3.063	20	5		IGBDRO
Cc1cc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164762051	721213748	/nfs/dbraw/zinc/21/37/48/721213748.db2.gz	CEBGNESCKJLJNB-UXHICEINSA-N	1	0	433.516	3.052	20	5		IGBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3ccc([N+](=O)[O-])cc31)CC2	ZINC001164714106	720113528	/nfs/dbraw/zinc/11/35/28/720113528.db2.gz	ABAIGSPSDNCMHM-FQEVSTJZSA-N	1	0	448.527	3.441	20	5		IGBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])CC2	ZINC001164714938	720114970	/nfs/dbraw/zinc/11/49/70/720114970.db2.gz	FSIFEZRBMKBPLQ-LJQANCHMSA-N	1	0	441.532	3.209	20	5		IGBDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1	ZINC001164820485	720306891	/nfs/dbraw/zinc/30/68/91/720306891.db2.gz	HDZGEXVTNJPPOR-GJZGRUSLSA-N	1	0	442.347	3.208	20	5		IGBDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1	ZINC001164823838	720314779	/nfs/dbraw/zinc/31/47/79/720314779.db2.gz	QDVFVBYAERFTHH-CABCVRRESA-N	1	0	442.347	3.208	20	5		IGBDRO
Cc1ccc(-c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nn2)cc1[N+](=O)[O-]	ZINC001164736162	720573990	/nfs/dbraw/zinc/57/39/90/720573990.db2.gz	FQDGDQOZFQFMMG-UHFFFAOYSA-N	1	0	433.516	3.215	20	5		IGBDRO
O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc21	ZINC001164743305	720826860	/nfs/dbraw/zinc/82/68/60/720826860.db2.gz	RZANOPDPYDFIGP-WAOWUJCRSA-N	1	0	433.516	3.114	20	5		IGBDRO
O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc21	ZINC001164743302	720826942	/nfs/dbraw/zinc/82/69/42/720826942.db2.gz	RZANOPDPYDFIGP-BBTUJRGHSA-N	1	0	433.516	3.114	20	5		IGBDRO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC001164869483	721072187	/nfs/dbraw/zinc/07/21/87/721072187.db2.gz	SXNRWIGLHHAPNP-JKSUJKDBSA-N	1	0	439.850	3.063	20	5		IGBDRO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1	ZINC001164869479	721072363	/nfs/dbraw/zinc/07/23/63/721072363.db2.gz	SXNRWIGLHHAPNP-CVEARBPZSA-N	1	0	439.850	3.063	20	5		IGBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1	ZINC001164771893	721204320	/nfs/dbraw/zinc/20/43/20/721204320.db2.gz	RTJAGOGDRCZKDP-JKSUJKDBSA-N	1	0	426.908	3.488	20	5		IGBDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164887686	721407607	/nfs/dbraw/zinc/40/76/07/721407607.db2.gz	MFRLZURXEVFUKW-AUUYWEPGSA-N	1	0	444.363	3.062	20	5		IGBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)CC2	ZINC001164788503	721462418	/nfs/dbraw/zinc/46/24/18/721462418.db2.gz	SYRACPMGYFZWOI-GOSISDBHSA-N	1	0	443.548	3.205	20	5		IGBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1	ZINC001164794987	721504194	/nfs/dbraw/zinc/50/41/94/721504194.db2.gz	GUTHGNFZSLWJJB-UHFFFAOYSA-N	1	0	425.489	3.052	20	5		IGBDRO
COc1cc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2cc1[N+](=O)[O-]	ZINC001164911924	721535794	/nfs/dbraw/zinc/53/57/94/721535794.db2.gz	XMRKLQOQYZPBBO-RDJZCZTQSA-N	1	0	439.447	3.028	20	5		IGBDRO
CSc1nc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164911461	721538381	/nfs/dbraw/zinc/53/83/81/721538381.db2.gz	WTDRGOPJOGLWSZ-GXTWGEPZSA-N	1	0	439.900	3.241	20	5		IGBDRO
O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1	ZINC001164903562	721695234	/nfs/dbraw/zinc/69/52/34/721695234.db2.gz	ACMNCFFUBILCMD-SFHVURJKSA-N	1	0	434.403	3.031	20	5		IGBDRO
O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164986434	722108040	/nfs/dbraw/zinc/10/80/40/722108040.db2.gz	ZAVHUFCFMCNJQV-PBHICJAKSA-N	1	0	438.315	3.419	20	5		IGBDRO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1	ZINC001164985041	722138635	/nfs/dbraw/zinc/13/86/35/722138635.db2.gz	YXZSYXONIRTMHA-NZQKXSOJSA-N	1	0	446.511	3.174	20	5		IGBDRO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1	ZINC001164985045	722138896	/nfs/dbraw/zinc/13/88/96/722138896.db2.gz	YXZSYXONIRTMHA-REWPJTCUSA-N	1	0	446.511	3.174	20	5		IGBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])C2	ZINC001164815089	720171982	/nfs/dbraw/zinc/17/19/82/720171982.db2.gz	IAQMDGNFZRBKNM-PXAZEXFGSA-N	1	0	449.861	3.242	20	5		IGBDRO
Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164745578	720818995	/nfs/dbraw/zinc/81/89/95/720818995.db2.gz	WVWUBSCYWMIGKE-GREBRCKQSA-N	1	0	447.543	3.422	20	5		IGBDRO
O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1	ZINC001164738375	720822845	/nfs/dbraw/zinc/82/28/45/720822845.db2.gz	FCNZAJHWTLIRJA-KAGYGMCKSA-N	1	0	433.516	3.114	20	5		IGBDRO
O=[N+]([O-])c1cccc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21	ZINC001164745644	720825691	/nfs/dbraw/zinc/82/56/91/720825691.db2.gz	XOOQPPPFRXMULA-VAMGGRTRSA-N	1	0	433.516	3.114	20	5		IGBDRO
Cc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1	ZINC001164751507	720871007	/nfs/dbraw/zinc/87/10/07/720871007.db2.gz	KOFMFYMGUNCIKL-QPPBQGQZSA-N	1	0	437.544	3.448	20	5		IGBDRO
CCOC(=O)c1ccnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1[N+](=O)[O-]	ZINC001164960641	722024201	/nfs/dbraw/zinc/02/42/01/722024201.db2.gz	LZRGLAXOEFNWIC-UHFFFAOYSA-N	1	0	425.489	3.054	20	5		IGBDRO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1	ZINC001164985039	722139195	/nfs/dbraw/zinc/13/91/95/722139195.db2.gz	YXZSYXONIRTMHA-NFBKMPQASA-N	1	0	446.511	3.174	20	5		IGBDRO
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)c1	ZINC001164404416	718865436	/nfs/dbraw/zinc/86/54/36/718865436.db2.gz	BPVAQGCQKCBKMP-SUMWQHHRSA-N	1	0	439.850	3.065	20	5		IGBDRO
O=[N+]([O-])c1ccc2nc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)cnc2c1	ZINC001164695697	719888542	/nfs/dbraw/zinc/88/85/42/719888542.db2.gz	RJVAYRKDAULQJI-UHFFFAOYSA-N	1	0	425.514	3.471	20	5		IGBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc([N+](=O)[O-])ccc31)CC2	ZINC001164719440	720113579	/nfs/dbraw/zinc/11/35/79/720113579.db2.gz	WWWXZJHCCRDSJJ-FQEVSTJZSA-N	1	0	448.527	3.441	20	5		IGBDRO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1	ZINC001164725282	720340107	/nfs/dbraw/zinc/34/01/07/720340107.db2.gz	NIRXBFFDTLWWCF-HOTGVXAUSA-N	1	0	431.880	3.068	20	5		IGBDRO
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2	ZINC001164841204	720699001	/nfs/dbraw/zinc/69/90/01/720699001.db2.gz	IFRLIMMHTMRKHN-SFHVURJKSA-N	1	0	432.908	3.142	20	5		IGBDRO
CSc1nc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-]	ZINC001164859043	720969129	/nfs/dbraw/zinc/96/91/29/720969129.db2.gz	KOIFCPXZEIJJLQ-NSHDSACASA-N	1	0	425.946	3.378	20	5		IGBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164868626	721068099	/nfs/dbraw/zinc/06/80/99/721068099.db2.gz	OUQXNGPVNRAOEB-HZPDHXFCSA-N	1	0	440.891	3.066	20	5		IGBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1	ZINC001164870513	721193875	/nfs/dbraw/zinc/19/38/75/721193875.db2.gz	VIQQAFGMLFCRQX-SJORKVTESA-N	1	0	440.891	3.066	20	5		IGBDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C3)O2)CC1	ZINC001164894454	721397421	/nfs/dbraw/zinc/39/74/21/721397421.db2.gz	YDTJTFWGPSACGV-LIRRHRJNSA-N	1	0	444.363	3.062	20	5		IGBDRO
Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N(C)CC3CC[NH+](C)CC3)c2c1C	ZINC001165043689	721938031	/nfs/dbraw/zinc/93/80/31/721938031.db2.gz	BGCCRBOTGSQEIQ-UHFFFAOYSA-N	1	0	429.550	3.239	20	5		IGBDRO
CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC2)CC1	ZINC001164614130	719024099	/nfs/dbraw/zinc/02/40/99/719024099.db2.gz	NPYNTYDSGSDATB-UHFFFAOYSA-N	1	0	446.882	3.432	20	5		IGBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001164805876	720090311	/nfs/dbraw/zinc/09/03/11/720090311.db2.gz	AIFZXTHCYZQYJV-RDTXWAMCSA-N	1	0	430.883	3.373	20	5		IGBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2	ZINC001164713891	720154001	/nfs/dbraw/zinc/15/40/01/720154001.db2.gz	UAPRTEXSAONJLK-LJQANCHMSA-N	1	0	448.527	3.441	20	5		IGBDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])CC[C@@H]21	ZINC001164839117	720523967	/nfs/dbraw/zinc/52/39/67/720523967.db2.gz	SYGLOUKJFNMLTH-IHRRRGAJSA-N	1	0	440.335	3.266	20	5		IGBDRO
O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)ccc21	ZINC001164743304	720826605	/nfs/dbraw/zinc/82/66/05/720826605.db2.gz	RZANOPDPYDFIGP-LVCYWYKZSA-N	1	0	433.516	3.114	20	5		IGBDRO
Cc1ccc(-c2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164773370	721173801	/nfs/dbraw/zinc/17/38/01/721173801.db2.gz	WVBCCNOHFNPVPW-PMACEKPBSA-N	1	0	433.516	3.052	20	5		IGBDRO
Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164762050	721214602	/nfs/dbraw/zinc/21/46/02/721214602.db2.gz	CEBGNESCKJLJNB-PMACEKPBSA-N	1	0	433.516	3.052	20	5		IGBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2	ZINC001164785239	721450710	/nfs/dbraw/zinc/45/07/10/721450710.db2.gz	HRGWFYMBKNJTNO-GOSISDBHSA-N	1	0	438.956	3.377	20	5		IGBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1	ZINC001165021615	721818102	/nfs/dbraw/zinc/81/81/02/721818102.db2.gz	FGSZZRFFLBQENH-DQLDELGASA-N	1	0	439.516	3.298	20	5		IGBDRO
O=[N+]([O-])c1cccc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c21	ZINC001164966272	722061224	/nfs/dbraw/zinc/06/12/24/722061224.db2.gz	PNZHZHKQJIBTRV-UHFFFAOYSA-N	1	0	434.500	3.052	20	5		IGBDRO
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)c1	ZINC001164404407	718865529	/nfs/dbraw/zinc/86/55/29/718865529.db2.gz	BPVAQGCQKCBKMP-DYVFJYSZSA-N	1	0	439.850	3.065	20	5		IGBDRO
CCOC(=O)C1CC[NH+](C2CCN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])CC2)CC1	ZINC001164613848	719023018	/nfs/dbraw/zinc/02/30/18/719023018.db2.gz	HNTVDIJHCDUMHE-UHFFFAOYSA-N	1	0	443.957	3.004	20	5		IGBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC2	ZINC001164713601	720129949	/nfs/dbraw/zinc/12/99/49/720129949.db2.gz	SQEQXSFQGNNVPE-GOSISDBHSA-N	1	0	436.516	3.374	20	5		IGBDRO
CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164839119	720524338	/nfs/dbraw/zinc/52/43/38/720524338.db2.gz	SYGLOUKJFNMLTH-MELADBBJSA-N	1	0	440.335	3.266	20	5		IGBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C[C@@H]3C2)cn1	ZINC001164764843	721154264	/nfs/dbraw/zinc/15/42/64/721154264.db2.gz	IEAGSJNWQKLNMS-HOTGVXAUSA-N	1	0	426.908	3.488	20	5		IGBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1	ZINC001164771890	721203945	/nfs/dbraw/zinc/20/39/45/721203945.db2.gz	RTJAGOGDRCZKDP-CVEARBPZSA-N	1	0	426.908	3.488	20	5		IGBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C[C@H]3C2)cn1	ZINC001164768074	721242548	/nfs/dbraw/zinc/24/25/48/721242548.db2.gz	XSGQSLRIFSNRNY-RTBURBONSA-N	1	0	436.491	3.488	20	5		IGBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)ncc1[N+](=O)[O-])CC2	ZINC001164784470	721453251	/nfs/dbraw/zinc/45/32/51/721453251.db2.gz	FNPQSIIOJGTMPY-KRWDZBQOSA-N	1	0	438.956	3.377	20	5		IGBDRO
O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1	ZINC001164906035	721712997	/nfs/dbraw/zinc/71/29/97/721712997.db2.gz	JLHNPVQTDQDHKQ-GOSISDBHSA-N	1	0	439.850	3.014	20	5		IGBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1	ZINC001165021617	721817932	/nfs/dbraw/zinc/81/79/32/721817932.db2.gz	FGSZZRFFLBQENH-ORYQWCPZSA-N	1	0	439.516	3.298	20	5		IGBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1	ZINC001165021616	721818191	/nfs/dbraw/zinc/81/81/91/721818191.db2.gz	FGSZZRFFLBQENH-NDXORKPFSA-N	1	0	439.516	3.298	20	5		IGBDRO
CCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-]	ZINC001165024075	721829293	/nfs/dbraw/zinc/82/92/93/721829293.db2.gz	JQOIBYDROSRXJY-DBVUQKKJSA-N	1	0	439.516	3.298	20	5		IGBDRO
O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164986437	722107980	/nfs/dbraw/zinc/10/79/80/722107980.db2.gz	ZAVHUFCFMCNJQV-RHSMWYFYSA-N	1	0	438.315	3.419	20	5		IGBDRO
CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC2)CC1	ZINC001164614118	719021584	/nfs/dbraw/zinc/02/15/84/719021584.db2.gz	NLXOUKZUMGZBAR-UHFFFAOYSA-N	1	0	446.882	3.432	20	5		IGBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)C2	ZINC001164805893	720094036	/nfs/dbraw/zinc/09/40/36/720094036.db2.gz	ALUMQXXKZVWAMS-BTYIYWSLSA-N	1	0	431.924	3.376	20	5		IGBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)C2	ZINC001164805895	720094473	/nfs/dbraw/zinc/09/44/73/720094473.db2.gz	ALUMQXXKZVWAMS-VFNWGFHPSA-N	1	0	431.924	3.376	20	5		IGBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001164807970	720097800	/nfs/dbraw/zinc/09/78/00/720097800.db2.gz	GSIIBVVSCCBWRI-RDTXWAMCSA-N	1	0	430.883	3.373	20	5		IGBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)C2	ZINC001164816925	720189360	/nfs/dbraw/zinc/18/93/60/720189360.db2.gz	NTIVWFNFJROCQT-JPYJTQIMSA-N	1	0	441.507	3.376	20	5		IGBDRO
O=[N+]([O-])c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(F)c1	ZINC001164758874	720883261	/nfs/dbraw/zinc/88/32/61/720883261.db2.gz	ZYWQCWIQZFLUHP-AUSIDOKSSA-N	1	0	441.507	3.279	20	5		IGBDRO
Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164762052	721213381	/nfs/dbraw/zinc/21/33/81/721213381.db2.gz	CEBGNESCKJLJNB-VQTJNVASSA-N	1	0	433.516	3.052	20	5		IGBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])c(C)c1C)CC2	ZINC001164783657	721461330	/nfs/dbraw/zinc/46/13/30/721461330.db2.gz	FDLKHSFIRUPESZ-HXUWFJFHSA-N	1	0	432.565	3.341	20	5		IGBDRO
C[NH+](C)CCOCc1ncn2c1CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CCC2	ZINC001165003484	722257923	/nfs/dbraw/zinc/25/79/23/722257923.db2.gz	FARZVVWJBMGALW-UHFFFAOYSA-N	1	0	436.516	3.342	20	5		IGBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])C2	ZINC001164815090	720172151	/nfs/dbraw/zinc/17/21/51/720172151.db2.gz	IAQMDGNFZRBKNM-SJCJKPOMSA-N	1	0	449.861	3.242	20	5		IGBDRO
O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1	ZINC001164738374	720822133	/nfs/dbraw/zinc/82/21/33/720822133.db2.gz	FCNZAJHWTLIRJA-CZTZKLFOSA-N	1	0	433.516	3.114	20	5		IGBDRO
O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ccccc21	ZINC001164740214	720824896	/nfs/dbraw/zinc/82/48/96/720824896.db2.gz	JODRYTFKHTWTAI-LVCYWYKZSA-N	1	0	433.516	3.114	20	5		IGBDRO
Cc1ccc(-c2ccc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164773373	721174390	/nfs/dbraw/zinc/17/43/90/721174390.db2.gz	WVBCCNOHFNPVPW-WOJBJXKFSA-N	1	0	433.516	3.052	20	5		IGBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC2	ZINC001164789902	721463574	/nfs/dbraw/zinc/46/35/74/721463574.db2.gz	YHMQDBZOLCTNCD-SFHVURJKSA-N	1	0	443.548	3.205	20	5		IGBDRO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1	ZINC001164905987	721692250	/nfs/dbraw/zinc/69/22/50/721692250.db2.gz	KOOLVBGKSYVNIF-SFHVURJKSA-N	1	0	438.866	3.479	20	5		IGBDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1	ZINC001165009467	721744890	/nfs/dbraw/zinc/74/48/90/721744890.db2.gz	FHDCWZBRVLBXMR-UHFFFAOYSA-N	1	0	431.924	3.319	20	5		IGBDRO
CCOC(=O)C1CC[NH+](C2CCN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)CC2)CC1	ZINC001164616467	719033278	/nfs/dbraw/zinc/03/32/78/719033278.db2.gz	CTJDXQGZURNMOV-UHFFFAOYSA-N	1	0	439.516	3.296	20	5		IGBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc(C)c1[N+](=O)[O-])CC2	ZINC001164710247	720095099	/nfs/dbraw/zinc/09/50/99/720095099.db2.gz	HUDGZNKPTYIGOE-QGZVFWFLSA-N	1	0	446.939	3.249	20	5		IGBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)CC2	ZINC001164711117	720104061	/nfs/dbraw/zinc/10/40/61/720104061.db2.gz	OLMJATNYTKKWHA-FQEVSTJZSA-N	1	0	448.527	3.441	20	5		IGBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)C2	ZINC001164810219	720202382	/nfs/dbraw/zinc/20/23/82/720202382.db2.gz	AOPGDHQXTUOGTG-BTYIYWSLSA-N	1	0	431.924	3.376	20	5		IGBDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1	ZINC001164823839	720315004	/nfs/dbraw/zinc/31/50/04/720315004.db2.gz	QDVFVBYAERFTHH-GJZGRUSLSA-N	1	0	442.347	3.208	20	5		IGBDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])CC[C@@H]21	ZINC001164839121	720524387	/nfs/dbraw/zinc/52/43/87/720524387.db2.gz	SYGLOUKJFNMLTH-RDBSUJKOSA-N	1	0	440.335	3.266	20	5		IGBDRO
C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C1	ZINC001164734598	720530572	/nfs/dbraw/zinc/53/05/72/720530572.db2.gz	RBWOTQBJAGXRFF-CQSZACIVSA-N	1	0	427.896	3.100	20	5		IGBDRO
O=[N+]([O-])c1cc(-c2ccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nn2)ccc1F	ZINC001164736927	720591532	/nfs/dbraw/zinc/59/15/32/720591532.db2.gz	VYGSRSGUMSQENX-UHFFFAOYSA-N	1	0	437.479	3.046	20	5		IGBDRO
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2	ZINC001164844835	720692814	/nfs/dbraw/zinc/69/28/14/720692814.db2.gz	VIOKCWSGKOVKSN-QGZVFWFLSA-N	1	0	432.908	3.142	20	5		IGBDRO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c1	ZINC001164838005	720736478	/nfs/dbraw/zinc/73/64/78/720736478.db2.gz	PQRPIZJJZYDWQQ-UHFFFAOYSA-N	1	0	426.855	3.437	20	5		IGBDRO
O=[N+]([O-])c1ccc(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)nc1Cl	ZINC001164838685	720737121	/nfs/dbraw/zinc/73/71/21/720737121.db2.gz	XBEYKSGPTDGNSC-UHFFFAOYSA-N	1	0	426.855	3.437	20	5		IGBDRO
O=[N+]([O-])c1cccc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21	ZINC001164745642	720825503	/nfs/dbraw/zinc/82/55/03/720825503.db2.gz	XOOQPPPFRXMULA-HSALFYBXSA-N	1	0	433.516	3.114	20	5		IGBDRO
O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(F)c1	ZINC001164758879	720883345	/nfs/dbraw/zinc/88/33/45/720883345.db2.gz	ZYWQCWIQZFLUHP-XXBNENTESA-N	1	0	441.507	3.279	20	5		IGBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164760152	721239589	/nfs/dbraw/zinc/23/95/89/721239589.db2.gz	CPXABQLIAWACDN-SJORKVTESA-N	1	0	426.908	3.488	20	5		IGBDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C3)O2)CC1	ZINC001164894449	721397040	/nfs/dbraw/zinc/39/70/40/721397040.db2.gz	YDTJTFWGPSACGV-IFXJQAMLSA-N	1	0	444.363	3.062	20	5		IGBDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164887688	721407589	/nfs/dbraw/zinc/40/75/89/721407589.db2.gz	MFRLZURXEVFUKW-KUHUBIRLSA-N	1	0	444.363	3.062	20	5		IGBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2	ZINC001164785968	721450712	/nfs/dbraw/zinc/45/07/12/721450712.db2.gz	KNVJFIUKLITYEF-GOSISDBHSA-N	1	0	438.956	3.377	20	5		IGBDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc4ccc5ccc(Cl)nc5c4n2)CC3)CC1	ZINC001164794021	721514437	/nfs/dbraw/zinc/51/44/37/721514437.db2.gz	BJQHAYDUHBXBMR-UHFFFAOYSA-N	1	0	447.974	3.401	20	5		IGBDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1	ZINC001165013360	721749760	/nfs/dbraw/zinc/74/97/60/721749760.db2.gz	ZLUVWOGZWQSBRI-UHFFFAOYSA-N	1	0	441.507	3.319	20	5		IGBDRO
Cn1nnc2c1CCN(c1ccc3ccc4cccnc4c3n1)[C@H]2COCC[NH+]1CCCC1	ZINC001164717705	720173535	/nfs/dbraw/zinc/17/35/35/720173535.db2.gz	LQHCBNBRIBUPAH-NRFANRHFSA-N	1	0	443.555	3.128	20	5		IGBDRO
Cc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2ccc([N+](=O)[O-])cc12	ZINC001164822642	720305048	/nfs/dbraw/zinc/30/50/48/720305048.db2.gz	NUZBYKPFBFVZMB-FGZHOGPDSA-N	1	0	437.544	3.363	20	5		IGBDRO
COC(=O)c1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c([N+](=O)[O-])c1	ZINC001164842777	720678726	/nfs/dbraw/zinc/67/87/26/720678726.db2.gz	NEDNZVBSKOTTID-LJQANCHMSA-N	1	0	440.500	3.036	20	5		IGBDRO
O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ccccc21	ZINC001164740211	720825214	/nfs/dbraw/zinc/82/52/14/720825214.db2.gz	JODRYTFKHTWTAI-DBXWQHBBSA-N	1	0	433.516	3.114	20	5		IGBDRO
Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164749120	720870930	/nfs/dbraw/zinc/87/09/30/720870930.db2.gz	GXVLEXDAOWIVQF-URXFXBBRSA-N	1	0	437.544	3.448	20	5		IGBDRO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1	ZINC001164860398	720931342	/nfs/dbraw/zinc/93/13/42/720931342.db2.gz	QZONWAHEFCMMGA-NSHDSACASA-N	1	0	425.946	3.378	20	5		IGBDRO
Cc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164879020	721159776	/nfs/dbraw/zinc/15/97/76/721159776.db2.gz	RGZDWNBINZKBTR-YADHBBJMSA-N	1	0	446.511	3.235	20	5		IGBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164760148	721239931	/nfs/dbraw/zinc/23/99/31/721239931.db2.gz	CPXABQLIAWACDN-IAGOWNOFSA-N	1	0	426.908	3.488	20	5		IGBDRO
Cc1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc2ccc([N+](=O)[O-])cc12	ZINC001164886694	721395122	/nfs/dbraw/zinc/39/51/22/721395122.db2.gz	FLPSVCXZRCPWBW-YKSBVNFPSA-N	1	0	439.560	3.217	20	5		IGBDRO
Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc2ccc([N+](=O)[O-])cc12	ZINC001164886684	721395202	/nfs/dbraw/zinc/39/52/02/721395202.db2.gz	FLPSVCXZRCPWBW-GBXCKJPGSA-N	1	0	439.560	3.217	20	5		IGBDRO
CN(C)/C=C/c1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001164906029	721551773	/nfs/dbraw/zinc/55/17/73/721551773.db2.gz	IIQWTMCIHCPOGR-YKMDAGRBSA-N	1	0	427.480	3.003	20	5		IGBDRO
Cc1nc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-]	ZINC001164905071	721584208	/nfs/dbraw/zinc/58/42/08/721584208.db2.gz	RZJPEBFXLIJTLV-GOSISDBHSA-N	1	0	438.866	3.479	20	5		IGBDRO
CCOC(=O)c1nc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-]	ZINC001164620236	719056777	/nfs/dbraw/zinc/05/67/77/719056777.db2.gz	FROBMPRAQILXPT-HZPDHXFCSA-N	1	0	445.907	3.316	20	5		IGBDRO
C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cccc([N+](=O)[O-])n3)CC2)c2ccccc21	ZINC001164685302	719661681	/nfs/dbraw/zinc/66/16/81/719661681.db2.gz	ZBQREESZQCUQEE-GOSISDBHSA-N	1	0	437.544	3.083	20	5		IGBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1	ZINC001164703438	719816201	/nfs/dbraw/zinc/81/62/01/719816201.db2.gz	VKDYNHRVOQBVQO-UHFFFAOYSA-N	1	0	445.549	3.052	20	5		IGBDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1	ZINC001164820486	720306723	/nfs/dbraw/zinc/30/67/23/720306723.db2.gz	HDZGEXVTNJPPOR-HUUCEWRRSA-N	1	0	442.347	3.208	20	5		IGBDRO
COC(=O)c1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-]	ZINC001164839876	720696886	/nfs/dbraw/zinc/69/68/86/720696886.db2.gz	CKORDHNGADBZAT-SFHVURJKSA-N	1	0	440.500	3.036	20	5		IGBDRO
O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164745757	720838036	/nfs/dbraw/zinc/83/80/36/720838036.db2.gz	NESDWGBJVKGLSX-SVFBPWRDSA-N	1	0	433.516	3.114	20	5		IGBDRO
O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1	ZINC001164748162	720859309	/nfs/dbraw/zinc/85/93/09/720859309.db2.gz	KUPQTKSBBYBETL-KAGYGMCKSA-N	1	0	433.516	3.114	20	5		IGBDRO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl	ZINC001164866557	721048773	/nfs/dbraw/zinc/04/87/73/721048773.db2.gz	FITBHFNTJMUUPT-JKSUJKDBSA-N	1	0	439.850	3.063	20	5		IGBDRO
COC(=O)c1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c([N+](=O)[O-])c1	ZINC001164792522	721493335	/nfs/dbraw/zinc/49/33/35/721493335.db2.gz	QBZAMUHXASOEBT-UHFFFAOYSA-N	1	0	425.489	3.052	20	5		IGBDRO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1	ZINC001164905984	721691968	/nfs/dbraw/zinc/69/19/68/721691968.db2.gz	KOOLVBGKSYVNIF-GOSISDBHSA-N	1	0	438.866	3.479	20	5		IGBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1	ZINC001164955889	722020186	/nfs/dbraw/zinc/02/01/86/722020186.db2.gz	RFVFBZYSMWHTQS-UHFFFAOYSA-N	1	0	425.489	3.054	20	5		IGBDRO
CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)CC2)CC1	ZINC001164614914	719023896	/nfs/dbraw/zinc/02/38/96/719023896.db2.gz	ZVUISLJFXMYRMS-UHFFFAOYSA-N	1	0	447.923	3.435	20	5		IGBDRO
C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc([N+](=O)[O-])ccn3)CC2)c2ccccc21	ZINC001164680676	719657283	/nfs/dbraw/zinc/65/72/83/719657283.db2.gz	HIOPRILQGYPWRX-GOSISDBHSA-N	1	0	437.544	3.083	20	5		IGBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001164807967	720097959	/nfs/dbraw/zinc/09/79/59/720097959.db2.gz	GSIIBVVSCCBWRI-KDOFPFPSSA-N	1	0	430.883	3.373	20	5		IGBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)C2	ZINC001164810223	720201407	/nfs/dbraw/zinc/20/14/07/720201407.db2.gz	AOPGDHQXTUOGTG-VFNWGFHPSA-N	1	0	431.924	3.376	20	5		IGBDRO
Cc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2ccc([N+](=O)[O-])cc12	ZINC001164822644	720305407	/nfs/dbraw/zinc/30/54/07/720305407.db2.gz	NUZBYKPFBFVZMB-YADHBBJMSA-N	1	0	437.544	3.363	20	5		IGBDRO
Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164745581	720819056	/nfs/dbraw/zinc/81/90/56/720819056.db2.gz	WVWUBSCYWMIGKE-QMHWCDLVSA-N	1	0	447.543	3.422	20	5		IGBDRO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC001164869480	721072478	/nfs/dbraw/zinc/07/24/78/721072478.db2.gz	SXNRWIGLHHAPNP-HOTGVXAUSA-N	1	0	439.850	3.063	20	5		IGBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1	ZINC001164771892	721203368	/nfs/dbraw/zinc/20/33/68/721203368.db2.gz	RTJAGOGDRCZKDP-HZPDHXFCSA-N	1	0	426.908	3.488	20	5		IGBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])c(C)c1C)CC2	ZINC001164783651	721461446	/nfs/dbraw/zinc/46/14/46/721461446.db2.gz	FDLKHSFIRUPESZ-FQEVSTJZSA-N	1	0	432.565	3.341	20	5		IGBDRO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1	ZINC001164900499	721515938	/nfs/dbraw/zinc/51/59/38/721515938.db2.gz	RLLQAWOBNGTZAX-OCCSQVGLSA-N	1	0	439.900	3.241	20	5		IGBDRO
CCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-]	ZINC001165024079	721829194	/nfs/dbraw/zinc/82/91/94/721829194.db2.gz	JQOIBYDROSRXJY-FFZOFVMBSA-N	1	0	439.516	3.298	20	5		IGBDRO
CCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-]	ZINC001165024086	721829367	/nfs/dbraw/zinc/82/93/67/721829367.db2.gz	JQOIBYDROSRXJY-VDGAXYAQSA-N	1	0	439.516	3.298	20	5		IGBDRO
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)c1	ZINC001164404411	718865442	/nfs/dbraw/zinc/86/54/42/718865442.db2.gz	BPVAQGCQKCBKMP-GUYCJALGSA-N	1	0	439.850	3.065	20	5		IGBDRO
CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC2)CC1	ZINC001164613779	719024713	/nfs/dbraw/zinc/02/47/13/719024713.db2.gz	DLCBOXBAOMIMLF-UHFFFAOYSA-N	1	0	446.882	3.432	20	5		IGBDRO
CN(C)/C=C/c1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncc1[N+](=O)[O-]	ZINC001164696174	719897964	/nfs/dbraw/zinc/89/79/64/719897964.db2.gz	AMYDTDRGXFWVBM-VMPITWQZSA-N	1	0	443.573	3.455	20	5		IGBDRO
CC(C)Oc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1[N+](=O)[O-]	ZINC001164840281	720618677	/nfs/dbraw/zinc/61/86/77/720618677.db2.gz	PRHRYCYKOFAUQE-IPMKNSEASA-N	1	0	428.537	3.351	20	5		IGBDRO
O=[N+]([O-])c1cccc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21	ZINC001164745645	720825461	/nfs/dbraw/zinc/82/54/61/720825461.db2.gz	XOOQPPPFRXMULA-XUVXKRRUSA-N	1	0	433.516	3.114	20	5		IGBDRO
Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164866962	721120903	/nfs/dbraw/zinc/12/09/03/721120903.db2.gz	VPNHJIDUSGXSQH-LEWJYISDSA-N	1	0	446.511	3.235	20	5		IGBDRO
Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164866963	721121693	/nfs/dbraw/zinc/12/16/93/721121693.db2.gz	VPNHJIDUSGXSQH-NHCUHLMSSA-N	1	0	446.511	3.235	20	5		IGBDRO
Cc1ccc(-c2ccc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164773372	721173677	/nfs/dbraw/zinc/17/36/77/721173677.db2.gz	WVBCCNOHFNPVPW-VQTJNVASSA-N	1	0	433.516	3.052	20	5		IGBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C[C@@H]3C2)cn1	ZINC001164768069	721241881	/nfs/dbraw/zinc/24/18/81/721241881.db2.gz	XSGQSLRIFSNRNY-OALUTQOASA-N	1	0	436.491	3.488	20	5		IGBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])cc(Cl)n1)CC2	ZINC001164786580	721450325	/nfs/dbraw/zinc/45/03/25/721450325.db2.gz	MZFNCTKCWPOIOK-SFHVURJKSA-N	1	0	438.956	3.377	20	5		IGBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2	ZINC001164785969	721450826	/nfs/dbraw/zinc/45/08/26/721450826.db2.gz	KNVJFIUKLITYEF-SFHVURJKSA-N	1	0	438.956	3.377	20	5		IGBDRO
COc1cc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2cc1[N+](=O)[O-]	ZINC001164911919	721536047	/nfs/dbraw/zinc/53/60/47/721536047.db2.gz	XMRKLQOQYZPBBO-DOTOQJQBSA-N	1	0	439.447	3.028	20	5		IGBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])C2	ZINC001164806378	720094282	/nfs/dbraw/zinc/09/42/82/720094282.db2.gz	BTFZPABSRLCNTO-QVKFZJNVSA-N	1	0	431.924	3.376	20	5		IGBDRO
CC(C)Oc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1[N+](=O)[O-]	ZINC001164840275	720619252	/nfs/dbraw/zinc/61/92/52/720619252.db2.gz	PRHRYCYKOFAUQE-CEXWTWQISA-N	1	0	428.537	3.351	20	5		IGBDRO
O=[N+]([O-])c1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(F)c1	ZINC001164758877	720883440	/nfs/dbraw/zinc/88/34/40/720883440.db2.gz	ZYWQCWIQZFLUHP-WMZHIEFXSA-N	1	0	441.507	3.279	20	5		IGBDRO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1	ZINC001164860396	720932304	/nfs/dbraw/zinc/93/23/04/720932304.db2.gz	QZONWAHEFCMMGA-LLVKDONJSA-N	1	0	425.946	3.378	20	5		IGBDRO
COc1cc2ncnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2cc1[N+](=O)[O-]	ZINC001164860066	720964930	/nfs/dbraw/zinc/96/49/30/720964930.db2.gz	POGCCUBHBXZOMS-AWEZNQCLSA-N	1	0	425.493	3.165	20	5		IGBDRO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1	ZINC001164869442	721068328	/nfs/dbraw/zinc/06/83/28/721068328.db2.gz	STAAZFUJFQDCAG-SJORKVTESA-N	1	0	440.891	3.066	20	5		IGBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC2	ZINC001164789901	721463408	/nfs/dbraw/zinc/46/34/08/721463408.db2.gz	YHMQDBZOLCTNCD-GOSISDBHSA-N	1	0	443.548	3.205	20	5		IGBDRO
COc1cc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1[N+](=O)[O-]	ZINC001164911922	721536154	/nfs/dbraw/zinc/53/61/54/721536154.db2.gz	XMRKLQOQYZPBBO-NVXWUHKLSA-N	1	0	439.447	3.028	20	5		IGBDRO
O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1	ZINC001164906038	721712976	/nfs/dbraw/zinc/71/29/76/721712976.db2.gz	JLHNPVQTDQDHKQ-SFHVURJKSA-N	1	0	439.850	3.014	20	5		IGBDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC1	ZINC001165010157	721735479	/nfs/dbraw/zinc/73/54/79/721735479.db2.gz	CZDKDBYNWOHKNH-UHFFFAOYSA-N	1	0	431.924	3.319	20	5		IGBDRO
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc([N+](=O)[O-])cc(Cl)[n+]4[O-])CC3)C2)cc1	ZINC001164938701	721927928	/nfs/dbraw/zinc/92/79/28/721927928.db2.gz	FAMVPSOHZACQDF-UHFFFAOYSA-N	1	0	432.908	3.061	20	5		IGBDRO
O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164971933	722113854	/nfs/dbraw/zinc/11/38/54/722113854.db2.gz	DTWOLPLZZAUVEN-ZBFHGGJFSA-N	1	0	438.315	3.419	20	5		IGBDRO
O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@H]3C2)c(Cl)nn1	ZINC001164409517	718865870	/nfs/dbraw/zinc/86/58/70/718865870.db2.gz	RBGKMRRSYFQQSA-SJCJKPOMSA-N	1	0	439.850	3.065	20	5		IGBDRO
CN(C)/C=C\c1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncc1[N+](=O)[O-]	ZINC001164696175	719897641	/nfs/dbraw/zinc/89/76/41/719897641.db2.gz	AMYDTDRGXFWVBM-YVMONPNESA-N	1	0	443.573	3.455	20	5		IGBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)CC2	ZINC001164715556	720126313	/nfs/dbraw/zinc/12/63/13/720126313.db2.gz	HXDXTRFJXKHUIS-GOSISDBHSA-N	1	0	436.516	3.374	20	5		IGBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1	ZINC001164843184	720666254	/nfs/dbraw/zinc/66/62/54/720666254.db2.gz	UOUIATBVGXEPDW-LJQANCHMSA-N	1	0	440.500	3.036	20	5		IGBDRO
O=[N+]([O-])c1cccc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21	ZINC001164745643	720825665	/nfs/dbraw/zinc/82/56/65/720825665.db2.gz	XOOQPPPFRXMULA-SLFFLAALSA-N	1	0	433.516	3.114	20	5		IGBDRO
O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164745755	720838297	/nfs/dbraw/zinc/83/82/97/720838297.db2.gz	NESDWGBJVKGLSX-QKNQBKEWSA-N	1	0	433.516	3.114	20	5		IGBDRO
O=[N+]([O-])c1cc(F)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1	ZINC001164749158	720878389	/nfs/dbraw/zinc/87/83/89/720878389.db2.gz	HJDNVARWCRGQDY-XXBNENTESA-N	1	0	441.507	3.279	20	5		IGBDRO
O=[N+]([O-])c1cc(F)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1	ZINC001164749156	720878499	/nfs/dbraw/zinc/87/84/99/720878499.db2.gz	HJDNVARWCRGQDY-WMZHIEFXSA-N	1	0	441.507	3.279	20	5		IGBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C[C@H]3C2)cn1	ZINC001164764850	721154098	/nfs/dbraw/zinc/15/40/98/721154098.db2.gz	IEAGSJNWQKLNMS-JKSUJKDBSA-N	1	0	426.908	3.488	20	5		IGBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc5ccc(Cl)nc5cc4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164760146	721239890	/nfs/dbraw/zinc/23/98/90/721239890.db2.gz	CPXABQLIAWACDN-DLBZAZTESA-N	1	0	426.908	3.488	20	5		IGBDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C3)O2)CC1	ZINC001164894447	721397477	/nfs/dbraw/zinc/39/74/77/721397477.db2.gz	YDTJTFWGPSACGV-AUUYWEPGSA-N	1	0	444.363	3.062	20	5		IGBDRO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1	ZINC001164900497	721516198	/nfs/dbraw/zinc/51/61/98/721516198.db2.gz	RLLQAWOBNGTZAX-GXTWGEPZSA-N	1	0	439.900	3.241	20	5		IGBDRO
Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CCC(C[NH+](C)C)CC3)c2c1C	ZINC001165042365	721950197	/nfs/dbraw/zinc/95/01/97/721950197.db2.gz	LSKGAFDAQUAGDL-UHFFFAOYSA-N	1	0	429.550	3.239	20	5		IGBDRO
CC(C)Oc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ccc1[N+](=O)[O-]	ZINC001164959986	722060280	/nfs/dbraw/zinc/06/02/80/722060280.db2.gz	BOMIBUDPFWGPRS-UHFFFAOYSA-N	1	0	441.532	3.291	20	5		IGBDRO
O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164971932	722113290	/nfs/dbraw/zinc/11/32/90/722113290.db2.gz	DTWOLPLZZAUVEN-HOCLYGCPSA-N	1	0	438.315	3.419	20	5		IGBDRO
O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1	ZINC001164738377	720822659	/nfs/dbraw/zinc/82/26/59/720822659.db2.gz	FCNZAJHWTLIRJA-SYYKKAFVSA-N	1	0	433.516	3.114	20	5		IGBDRO
O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1	ZINC001164748163	720859130	/nfs/dbraw/zinc/85/91/30/720859130.db2.gz	KUPQTKSBBYBETL-RCZSKKKRSA-N	1	0	433.516	3.114	20	5		IGBDRO
Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164749123	720870849	/nfs/dbraw/zinc/87/08/49/720870849.db2.gz	GXVLEXDAOWIVQF-ZJSXRUAMSA-N	1	0	437.544	3.448	20	5		IGBDRO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1	ZINC001164869433	721068861	/nfs/dbraw/zinc/06/88/61/721068861.db2.gz	STAAZFUJFQDCAG-DLBZAZTESA-N	1	0	440.891	3.066	20	5		IGBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C[C@H]3C2)cn1	ZINC001164764846	721152710	/nfs/dbraw/zinc/15/27/10/721152710.db2.gz	IEAGSJNWQKLNMS-HZPDHXFCSA-N	1	0	426.908	3.488	20	5		IGBDRO
O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1	ZINC001164903559	721695504	/nfs/dbraw/zinc/69/55/04/721695504.db2.gz	ACMNCFFUBILCMD-GOSISDBHSA-N	1	0	434.403	3.031	20	5		IGBDRO
Cc1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1[N+](=O)[O-]	ZINC001164962520	722054490	/nfs/dbraw/zinc/05/44/90/722054490.db2.gz	FCERJEIGKUBDQJ-UHFFFAOYSA-N	1	0	431.924	3.466	20	5		IGBDRO
O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(Cl)nn1	ZINC001164409519	718865885	/nfs/dbraw/zinc/86/58/85/718865885.db2.gz	RBGKMRRSYFQQSA-SJKOYZFVSA-N	1	0	439.850	3.065	20	5		IGBDRO
CCOC(=O)c1nc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-]	ZINC001164620240	719057291	/nfs/dbraw/zinc/05/72/91/719057291.db2.gz	FROBMPRAQILXPT-JKSUJKDBSA-N	1	0	445.907	3.316	20	5		IGBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001164813098	720074388	/nfs/dbraw/zinc/07/43/88/720074388.db2.gz	SMDLUMNNCIVUOQ-MAUKXSAKSA-N	1	0	430.883	3.373	20	5		IGBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])C2	ZINC001164806377	720094005	/nfs/dbraw/zinc/09/40/05/720094005.db2.gz	BTFZPABSRLCNTO-BTYIYWSLSA-N	1	0	431.924	3.376	20	5		IGBDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CCC2	ZINC001164813944	720220431	/nfs/dbraw/zinc/22/04/31/720220431.db2.gz	PQYZXXAPQUARSC-UHFFFAOYSA-N	1	0	441.319	3.104	20	5		IGBDRO
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2	ZINC001164841200	720699357	/nfs/dbraw/zinc/69/93/57/720699357.db2.gz	IFRLIMMHTMRKHN-GOSISDBHSA-N	1	0	432.908	3.142	20	5		IGBDRO
Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164749122	720871082	/nfs/dbraw/zinc/87/10/82/720871082.db2.gz	GXVLEXDAOWIVQF-XUZZJYLKSA-N	1	0	437.544	3.448	20	5		IGBDRO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl	ZINC001164866556	721049205	/nfs/dbraw/zinc/04/92/05/721049205.db2.gz	FITBHFNTJMUUPT-HZPDHXFCSA-N	1	0	439.850	3.063	20	5		IGBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])CC2	ZINC001164783658	721458559	/nfs/dbraw/zinc/45/85/59/721458559.db2.gz	FFSIYUWVILFHOO-IBGZPJMESA-N	1	0	448.564	3.041	20	5		IGBDRO
CCOc1nc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)ccc1[N+](=O)[O-]	ZINC001164790260	721463626	/nfs/dbraw/zinc/46/36/26/721463626.db2.gz	ZWWNIPWOVMJMSW-LJQANCHMSA-N	1	0	448.564	3.122	20	5		IGBDRO
COC(=O)c1ccnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1[N+](=O)[O-]	ZINC001164792948	721496677	/nfs/dbraw/zinc/49/66/77/721496677.db2.gz	VXLFSYHXVSNPFI-UHFFFAOYSA-N	1	0	425.489	3.052	20	5		IGBDRO
COc1cc(C)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-]	ZINC001164904095	721701746	/nfs/dbraw/zinc/70/17/46/721701746.db2.gz	CYPNALVUDYARKV-FQEVSTJZSA-N	1	0	433.459	3.440	20	5		IGBDRO
CC(C)N(C)Cc1nn(-c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)c2c1CC[NH2+]C2	ZINC001164680521	719648475	/nfs/dbraw/zinc/64/84/75/719648475.db2.gz	UAHXXRQKKHHJQS-UHFFFAOYSA-N	1	0	441.923	3.377	20	5		IGBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)C2	ZINC001164810222	720201919	/nfs/dbraw/zinc/20/19/19/720201919.db2.gz	AOPGDHQXTUOGTG-QVKFZJNVSA-N	1	0	431.924	3.376	20	5		IGBDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)CC[C@@H]21	ZINC001164839816	720597436	/nfs/dbraw/zinc/59/74/36/720597436.db2.gz	OQQGSTXZSYKAHH-YKKOSAOHSA-N	1	0	439.564	3.096	20	5		IGBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1	ZINC001164843183	720665723	/nfs/dbraw/zinc/66/57/23/720665723.db2.gz	UOUIATBVGXEPDW-IBGZPJMESA-N	1	0	440.500	3.036	20	5		IGBDRO
COC(=O)c1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-]	ZINC001164839874	720695484	/nfs/dbraw/zinc/69/54/84/720695484.db2.gz	CKORDHNGADBZAT-GOSISDBHSA-N	1	0	440.500	3.036	20	5		IGBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1	ZINC001164836896	720729630	/nfs/dbraw/zinc/72/96/30/720729630.db2.gz	HWTPOPZQZHLJQR-SFHVURJKSA-N	1	0	440.500	3.036	20	5		IGBDRO
O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1	ZINC001164738376	720822938	/nfs/dbraw/zinc/82/29/38/720822938.db2.gz	FCNZAJHWTLIRJA-RCZSKKKRSA-N	1	0	433.516	3.114	20	5		IGBDRO
Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1	ZINC001164751510	720871304	/nfs/dbraw/zinc/87/13/04/720871304.db2.gz	KOFMFYMGUNCIKL-XUZZJYLKSA-N	1	0	437.544	3.448	20	5		IGBDRO
O=[N+]([O-])c1cc(F)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1	ZINC001164749154	720878682	/nfs/dbraw/zinc/87/86/82/720878682.db2.gz	HJDNVARWCRGQDY-CVDCTZTESA-N	1	0	441.507	3.279	20	5		IGBDRO
O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(F)c1	ZINC001164758875	720883628	/nfs/dbraw/zinc/88/36/28/720883628.db2.gz	ZYWQCWIQZFLUHP-CVDCTZTESA-N	1	0	441.507	3.279	20	5		IGBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164868625	721068408	/nfs/dbraw/zinc/06/84/08/721068408.db2.gz	OUQXNGPVNRAOEB-HOTGVXAUSA-N	1	0	440.891	3.066	20	5		IGBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164868624	721068913	/nfs/dbraw/zinc/06/89/13/721068913.db2.gz	OUQXNGPVNRAOEB-CVEARBPZSA-N	1	0	440.891	3.066	20	5		IGBDRO
Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164866965	721120734	/nfs/dbraw/zinc/12/07/34/721120734.db2.gz	VPNHJIDUSGXSQH-SFTDATJTSA-N	1	0	446.511	3.235	20	5		IGBDRO
CCc1cc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164771401	721216274	/nfs/dbraw/zinc/21/62/74/721216274.db2.gz	PLIRBUHSNPVTLT-UXHICEINSA-N	1	0	447.543	3.306	20	5		IGBDRO
CCc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164771399	721216292	/nfs/dbraw/zinc/21/62/92/721216292.db2.gz	PLIRBUHSNPVTLT-PMACEKPBSA-N	1	0	447.543	3.306	20	5		IGBDRO
CSc1nc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164911469	721538147	/nfs/dbraw/zinc/53/81/47/721538147.db2.gz	WTDRGOPJOGLWSZ-TZMCWYRMSA-N	1	0	439.900	3.241	20	5		IGBDRO
CCOC(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-]	ZINC001165024083	721829167	/nfs/dbraw/zinc/82/91/67/721829167.db2.gz	JQOIBYDROSRXJY-PWIZWCRZSA-N	1	0	439.516	3.298	20	5		IGBDRO
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)c1	ZINC001164404396	718865604	/nfs/dbraw/zinc/86/56/04/718865604.db2.gz	BPVAQGCQKCBKMP-CXAGYDPISA-N	1	0	439.850	3.065	20	5		IGBDRO
CCc1cc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164680171	719642688	/nfs/dbraw/zinc/64/26/88/719642688.db2.gz	RDCTVSZCFUEHJJ-UHFFFAOYSA-N	1	0	435.532	3.286	20	5		IGBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2	ZINC001164713888	720153901	/nfs/dbraw/zinc/15/39/01/720153901.db2.gz	UAPRTEXSAONJLK-IBGZPJMESA-N	1	0	448.527	3.441	20	5		IGBDRO
C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C1	ZINC001164734597	720530407	/nfs/dbraw/zinc/53/04/07/720530407.db2.gz	RBWOTQBJAGXRFF-AWEZNQCLSA-N	1	0	427.896	3.100	20	5		IGBDRO
CC(C)[N@H+]1[C@@H]2CCN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164839804	720598412	/nfs/dbraw/zinc/59/84/12/720598412.db2.gz	OQQGSTXZSYKAHH-IATPYWNVSA-N	1	0	439.564	3.096	20	5		IGBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2	ZINC001164785241	721450912	/nfs/dbraw/zinc/45/09/12/721450912.db2.gz	HRGWFYMBKNJTNO-SFHVURJKSA-N	1	0	438.956	3.377	20	5		IGBDRO
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C)cc(OC)c2[N+](=O)[O-])CC1	ZINC001165020385	721840414	/nfs/dbraw/zinc/84/04/14/721840414.db2.gz	IRDPZCXCVYHONC-UHFFFAOYSA-N	1	0	430.505	3.425	20	5		IGBDRO
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])CC3)C2)cc1	ZINC001164941056	721926554	/nfs/dbraw/zinc/92/65/54/721926554.db2.gz	ZYPLTWPWXLLIGI-UHFFFAOYSA-N	1	0	432.908	3.061	20	5		IGBDRO
O=[N+]([O-])c1ccc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)cnc2c1	ZINC001164959624	722054170	/nfs/dbraw/zinc/05/41/70/722054170.db2.gz	NFPPPVKAGCLFFB-UHFFFAOYSA-N	1	0	434.500	3.052	20	5		IGBDRO
O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164986438	722107944	/nfs/dbraw/zinc/10/79/44/722107944.db2.gz	ZAVHUFCFMCNJQV-WMLDXEAASA-N	1	0	438.315	3.419	20	5		IGBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])C2	ZINC001164806379	720093586	/nfs/dbraw/zinc/09/35/86/720093586.db2.gz	BTFZPABSRLCNTO-VFNWGFHPSA-N	1	0	431.924	3.376	20	5		IGBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)CC2	ZINC001164711020	720100729	/nfs/dbraw/zinc/10/07/29/720100729.db2.gz	NARRYSVDNZLLGQ-HXUWFJFHSA-N	1	0	448.527	3.441	20	5		IGBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])C2	ZINC001164815092	720171374	/nfs/dbraw/zinc/17/13/74/720171374.db2.gz	IAQMDGNFZRBKNM-YVEFUNNKSA-N	1	0	449.861	3.242	20	5		IGBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)C2	ZINC001164816923	720188746	/nfs/dbraw/zinc/18/87/46/720188746.db2.gz	NTIVWFNFJROCQT-FDDCHVKYSA-N	1	0	441.507	3.376	20	5		IGBDRO
Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c([N+](=O)[O-])c1	ZINC001164750434	720871945	/nfs/dbraw/zinc/87/19/45/720871945.db2.gz	JCUXEHAQRSQFJA-QPPBQGQZSA-N	1	0	437.544	3.448	20	5		IGBDRO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl	ZINC001164866555	721049422	/nfs/dbraw/zinc/04/94/22/721049422.db2.gz	FITBHFNTJMUUPT-HOTGVXAUSA-N	1	0	439.850	3.063	20	5		IGBDRO
Cc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164879016	721159036	/nfs/dbraw/zinc/15/90/36/721159036.db2.gz	RGZDWNBINZKBTR-FGZHOGPDSA-N	1	0	446.511	3.235	20	5		IGBDRO
CCc1cc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164771406	721216241	/nfs/dbraw/zinc/21/62/41/721216241.db2.gz	PLIRBUHSNPVTLT-WOJBJXKFSA-N	1	0	447.543	3.306	20	5		IGBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C[C@H]3C2)cn1	ZINC001164768072	721241822	/nfs/dbraw/zinc/24/18/22/721241822.db2.gz	XSGQSLRIFSNRNY-RBUKOAKNSA-N	1	0	436.491	3.488	20	5		IGBDRO
CSc1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164911467	721537939	/nfs/dbraw/zinc/53/79/39/721537939.db2.gz	WTDRGOPJOGLWSZ-OCCSQVGLSA-N	1	0	439.900	3.241	20	5		IGBDRO
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])CC3)C2)cc1	ZINC001164939757	721923993	/nfs/dbraw/zinc/92/39/93/721923993.db2.gz	MRYOBCJKXXJMEL-UHFFFAOYSA-N	1	0	427.461	3.078	20	5		IGBDRO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1	ZINC001164985043	722139201	/nfs/dbraw/zinc/13/92/01/722139201.db2.gz	YXZSYXONIRTMHA-OFNKIYASSA-N	1	0	446.511	3.174	20	5		IGBDRO
O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)c(Cl)nn1	ZINC001164409521	718865903	/nfs/dbraw/zinc/86/59/03/718865903.db2.gz	RBGKMRRSYFQQSA-YVEFUNNKSA-N	1	0	439.850	3.065	20	5		IGBDRO
CCOC(=O)c1nc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-]	ZINC001164620231	719056817	/nfs/dbraw/zinc/05/68/17/719056817.db2.gz	FROBMPRAQILXPT-HOTGVXAUSA-N	1	0	445.907	3.316	20	5		IGBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001164813100	720073918	/nfs/dbraw/zinc/07/39/18/720073918.db2.gz	SMDLUMNNCIVUOQ-YJBOKZPZSA-N	1	0	430.883	3.373	20	5		IGBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])CC2	ZINC001164714937	720115584	/nfs/dbraw/zinc/11/55/84/720115584.db2.gz	FSIFEZRBMKBPLQ-IBGZPJMESA-N	1	0	441.532	3.209	20	5		IGBDRO
Cc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164815275	720216443	/nfs/dbraw/zinc/21/64/43/720216443.db2.gz	YBXDFVFXNLODCL-UHFFFAOYSA-N	1	0	436.516	3.259	20	5		IGBDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CCC2	ZINC001164815622	720245229	/nfs/dbraw/zinc/24/52/29/720245229.db2.gz	CVBVKNIWDZDZFE-UHFFFAOYSA-N	1	0	448.527	3.464	20	5		IGBDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1	ZINC001164823841	720314830	/nfs/dbraw/zinc/31/48/30/720314830.db2.gz	QDVFVBYAERFTHH-LSDHHAIUSA-N	1	0	442.347	3.208	20	5		IGBDRO
CC(C)[N@H+]1[C@@H]2CCN(c3cc(/C=C/N(C)C)c([N+](=O)[O-])cn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164839811	720597205	/nfs/dbraw/zinc/59/72/05/720597205.db2.gz	OQQGSTXZSYKAHH-QUDOHWQLSA-N	1	0	439.564	3.096	20	5		IGBDRO
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2	ZINC001164844541	720677332	/nfs/dbraw/zinc/67/73/32/720677332.db2.gz	SVWBBDSTXXSBQR-SFHVURJKSA-N	1	0	427.461	3.158	20	5		IGBDRO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1	ZINC001164869439	721068843	/nfs/dbraw/zinc/06/88/43/721068843.db2.gz	STAAZFUJFQDCAG-IRXDYDNUSA-N	1	0	440.891	3.066	20	5		IGBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC001164870506	721190271	/nfs/dbraw/zinc/19/02/71/721190271.db2.gz	VIQQAFGMLFCRQX-DLBZAZTESA-N	1	0	440.891	3.066	20	5		IGBDRO
CCOC(=O)c1ccnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1[N+](=O)[O-]	ZINC001164795988	721503236	/nfs/dbraw/zinc/50/32/36/721503236.db2.gz	PECWRAZTMZZXAV-UHFFFAOYSA-N	1	0	439.516	3.443	20	5		IGBDRO
O=[N+]([O-])c1ccc2ncc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2c1	ZINC001164961204	722053518	/nfs/dbraw/zinc/05/35/18/722053518.db2.gz	VTZDIPHJVPWVTH-UHFFFAOYSA-N	1	0	434.500	3.052	20	5		IGBDRO
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2	ZINC001164964898	722055080	/nfs/dbraw/zinc/05/50/80/722055080.db2.gz	ZGPSJYBEMVLKBN-UHFFFAOYSA-N	1	0	434.500	3.052	20	5		IGBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001164807965	720098395	/nfs/dbraw/zinc/09/83/95/720098395.db2.gz	GSIIBVVSCCBWRI-KBXCAEBGSA-N	1	0	430.883	3.373	20	5		IGBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3cc([N+](=O)[O-])ccc31)CC2	ZINC001164719441	720114172	/nfs/dbraw/zinc/11/41/72/720114172.db2.gz	WWWXZJHCCRDSJJ-HXUWFJFHSA-N	1	0	448.527	3.441	20	5		IGBDRO
Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2ccc([N+](=O)[O-])cc12	ZINC001164822641	720305203	/nfs/dbraw/zinc/30/52/03/720305203.db2.gz	NUZBYKPFBFVZMB-FCHUYYIVSA-N	1	0	437.544	3.363	20	5		IGBDRO
Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc2ccc([N+](=O)[O-])cc12	ZINC001164822643	720305303	/nfs/dbraw/zinc/30/53/03/720305303.db2.gz	NUZBYKPFBFVZMB-VXKWHMMOSA-N	1	0	437.544	3.363	20	5		IGBDRO
CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1	ZINC001164839115	720523939	/nfs/dbraw/zinc/52/39/39/720523939.db2.gz	SYGLOUKJFNMLTH-HZSPNIEDSA-N	1	0	440.335	3.266	20	5		IGBDRO
Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164745579	720819223	/nfs/dbraw/zinc/81/92/23/720819223.db2.gz	WVWUBSCYWMIGKE-JXHRLWIKSA-N	1	0	447.543	3.422	20	5		IGBDRO
Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164745580	720819364	/nfs/dbraw/zinc/81/93/64/720819364.db2.gz	WVWUBSCYWMIGKE-KKLQWCBXSA-N	1	0	447.543	3.422	20	5		IGBDRO
O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ccccc21	ZINC001164740209	720824950	/nfs/dbraw/zinc/82/49/50/720824950.db2.gz	JODRYTFKHTWTAI-BBTUJRGHSA-N	1	0	433.516	3.114	20	5		IGBDRO
O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ccccc21	ZINC001164740216	720825167	/nfs/dbraw/zinc/82/51/67/720825167.db2.gz	JODRYTFKHTWTAI-WAOWUJCRSA-N	1	0	433.516	3.114	20	5		IGBDRO
O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1	ZINC001164748164	720858997	/nfs/dbraw/zinc/85/89/97/720858997.db2.gz	KUPQTKSBBYBETL-SYYKKAFVSA-N	1	0	433.516	3.114	20	5		IGBDRO
Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c([N+](=O)[O-])c1	ZINC001164750445	720871622	/nfs/dbraw/zinc/87/16/22/720871622.db2.gz	JCUXEHAQRSQFJA-XUZZJYLKSA-N	1	0	437.544	3.448	20	5		IGBDRO
Cc1ccc(-c2ccc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164773371	721173368	/nfs/dbraw/zinc/17/33/68/721173368.db2.gz	WVBCCNOHFNPVPW-UXHICEINSA-N	1	0	433.516	3.052	20	5		IGBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccc(F)cc5)n4)C[C@@H]3C2)cn1	ZINC001164768065	721241201	/nfs/dbraw/zinc/24/12/01/721241201.db2.gz	XSGQSLRIFSNRNY-MOPGFXCFSA-N	1	0	436.491	3.488	20	5		IGBDRO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1	ZINC001164900500	721516029	/nfs/dbraw/zinc/51/60/29/721516029.db2.gz	RLLQAWOBNGTZAX-TZMCWYRMSA-N	1	0	439.900	3.241	20	5		IGBDRO