smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[NH2+]CCO[C@@H]3C2)c(Cl)nn1	ZINC001164390205	718826013	/nfs/dbraw/zinc/82/60/13/718826013.db2.gz	MXMRYLQEHVHSSQ-XJKSGUPXSA-N	1	0	425.823	2.817	20	5		IFBDRO
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@@H]4C3)c(Cl)nn2)c1	ZINC001164391636	718826078	/nfs/dbraw/zinc/82/60/78/718826078.db2.gz	WBDYYKPWKGKINT-GDBMZVCRSA-N	1	0	425.823	2.817	20	5		IFBDRO
O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c(Cl)nn1	ZINC001164390197	718826312	/nfs/dbraw/zinc/82/63/12/718826312.db2.gz	MXMRYLQEHVHSSQ-BBRMVZONSA-N	1	0	425.823	2.817	20	5		IFBDRO
COC(=O)c1nc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-]	ZINC001164627271	719064147	/nfs/dbraw/zinc/06/41/47/719064147.db2.gz	QFXBAYHGZCLHEM-GJZGRUSLSA-N	1	0	431.880	2.926	20	5		IFBDRO
CCc1cc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164689818	719745638	/nfs/dbraw/zinc/74/56/38/719745638.db2.gz	KEPFHCJSUADLBM-UHFFFAOYSA-N	1	0	438.532	2.795	20	5		IFBDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1	ZINC001164819125	720306608	/nfs/dbraw/zinc/30/66/08/720306608.db2.gz	CFCHGUXNGWGMFF-STQMWFEESA-N	1	0	443.335	2.603	20	5		IFBDRO
CC(C)Oc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC001164822400	720343532	/nfs/dbraw/zinc/34/35/32/720343532.db2.gz	DOYIBTUPJQUXCF-ROUUACIJSA-N	1	0	431.537	2.689	20	5		IFBDRO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ccc21	ZINC001164736846	720716377	/nfs/dbraw/zinc/71/63/77/720716377.db2.gz	BPLCKEXLZLRUDG-KGLIPLIRSA-N	1	0	426.864	2.928	20	5		IFBDRO
O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1	ZINC001164747392	720815249	/nfs/dbraw/zinc/81/52/49/720815249.db2.gz	NYSTWSJEAOCJFR-DJPFJPOOSA-N	1	0	434.504	2.509	20	5		IFBDRO
Nc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1	ZINC001164752375	720906715	/nfs/dbraw/zinc/90/67/15/720906715.db2.gz	OBKJEWJNXZNBEM-AUSIDOKSSA-N	1	0	438.532	2.722	20	5		IFBDRO
Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-]	ZINC001164755025	720928825	/nfs/dbraw/zinc/92/88/25/720928825.db2.gz	XVUOVVFSAVKZEE-NZQKXSOJSA-N	1	0	438.532	2.843	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1	ZINC001164762292	721101627	/nfs/dbraw/zinc/10/16/27/721101627.db2.gz	DUAHCOOUUXENRG-LSDHHAIUSA-N	1	0	427.896	2.883	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164772205	721101872	/nfs/dbraw/zinc/10/18/72/721101872.db2.gz	UXSRHQZTODBKFC-LSDHHAIUSA-N	1	0	427.896	2.883	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)C[C@H]3C2)cn1	ZINC001164766169	721229182	/nfs/dbraw/zinc/22/91/82/721229182.db2.gz	SIGSIPWMPLNELC-QZTJIDSGSA-N	1	0	437.479	2.883	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C[C@@H]3C2)cn1	ZINC001164769702	721245914	/nfs/dbraw/zinc/24/59/14/721245914.db2.gz	ZFLOPXAEFGKLAN-GJZGRUSLSA-N	1	0	427.896	2.883	20	5		IFBDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164888234	721401174	/nfs/dbraw/zinc/40/11/74/721401174.db2.gz	NRHVFKUVMQYLLK-NFBKMPQASA-N	1	0	425.533	2.908	20	5		IFBDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc5c(cccc5[N+](=O)[O-])n4)C3)O2)CC1	ZINC001164890397	721408857	/nfs/dbraw/zinc/40/88/57/721408857.db2.gz	SLGKCKPRQHYLJD-WZONZLPQSA-N	1	0	425.533	2.908	20	5		IFBDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890219	721429227	/nfs/dbraw/zinc/42/92/27/721429227.db2.gz	CKHULRQKDBYRPV-REWPJTCUSA-N	1	0	425.533	2.908	20	5		IFBDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)CC1	ZINC001165012513	721747647	/nfs/dbraw/zinc/74/76/47/721747647.db2.gz	JTWQXTHLTWBKLZ-UHFFFAOYSA-N	1	0	442.495	2.714	20	5		IFBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1	ZINC001165025827	721802665	/nfs/dbraw/zinc/80/26/65/721802665.db2.gz	PIHSQHFSYZYMQS-YSSFQJQWSA-N	1	0	425.489	2.908	20	5		IFBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1	ZINC001165025824	721802773	/nfs/dbraw/zinc/80/27/73/721802773.db2.gz	PIHSQHFSYZYMQS-BEVDRBHNSA-N	1	0	425.489	2.908	20	5		IFBDRO
COC(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-]	ZINC001165023492	721815448	/nfs/dbraw/zinc/81/54/48/721815448.db2.gz	HEKXYQVTRZSBDS-SNRMKQJTSA-N	1	0	425.489	2.908	20	5		IFBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1	ZINC001165020730	721831958	/nfs/dbraw/zinc/83/19/58/721831958.db2.gz	DNYZQVFLTGGEHI-IEZWGBDMSA-N	1	0	425.489	2.908	20	5		IFBDRO
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(OC)c([N+](=O)[O-])c(OC)n2)CC1	ZINC001165023311	721840966	/nfs/dbraw/zinc/84/09/66/721840966.db2.gz	UVRRBOVKVLBFPV-UHFFFAOYSA-N	1	0	447.492	2.520	20	5		IFBDRO
COc1nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)nc(OC)c1[N+](=O)[O-]	ZINC001164938971	721925999	/nfs/dbraw/zinc/92/59/99/721925999.db2.gz	FAVSWDBEPDCDGI-UHFFFAOYSA-N	1	0	443.504	2.582	20	5		IFBDRO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164982760	722107743	/nfs/dbraw/zinc/10/77/43/722107743.db2.gz	OVHAEOOBJPWCQK-KBPBESRZSA-N	1	0	439.303	2.814	20	5		IFBDRO
CN(C)/C=C/c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001164977005	722138076	/nfs/dbraw/zinc/13/80/76/722138076.db2.gz	HNGNKOSSCYROJR-WENHOXRWSA-N	1	0	438.532	2.644	20	5		IFBDRO
C[NH+](C)CCOCc1ncn2c1CN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])CCC2	ZINC001164999840	722252102	/nfs/dbraw/zinc/25/21/02/722252102.db2.gz	GVIODDXOZNNPRE-UHFFFAOYSA-N	1	0	445.911	2.876	20	5		IFBDRO
O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@H]4C3)c(Cl)nn2)cc1	ZINC001164391859	718825994	/nfs/dbraw/zinc/82/59/94/718825994.db2.gz	XRAVVVAPDAXPQC-ZBFHGGJFSA-N	1	0	425.823	2.817	20	5		IFBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])C2	ZINC001164811086	720124932	/nfs/dbraw/zinc/12/49/32/720124932.db2.gz	LHKSPDFFZVVZOZ-FZKQIMNGSA-N	1	0	427.958	2.945	20	5		IFBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1	ZINC001164833765	720569888	/nfs/dbraw/zinc/56/98/88/720569888.db2.gz	BNTQDZBDIAWQBI-XKGZKEIXSA-N	1	0	442.520	2.741	20	5		IFBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1	ZINC001164833768	720570239	/nfs/dbraw/zinc/57/02/39/720570239.db2.gz	BNTQDZBDIAWQBI-YVWKXTFCSA-N	1	0	442.520	2.741	20	5		IFBDRO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164741097	720679235	/nfs/dbraw/zinc/67/92/35/720679235.db2.gz	SRPDJJLDOLMORR-KGLIPLIRSA-N	1	0	426.864	2.928	20	5		IFBDRO
COc1nc(C)c([N+](=O)[O-])c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1	ZINC001164844907	720690434	/nfs/dbraw/zinc/69/04/34/720690434.db2.gz	WDLGAGUIVJWTRL-SFHVURJKSA-N	1	0	427.505	2.962	20	5		IFBDRO
CCc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164740493	720779741	/nfs/dbraw/zinc/77/97/41/720779741.db2.gz	LJXOFGANFSUKPT-UXHICEINSA-N	1	0	447.499	2.746	20	5		IFBDRO
Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl	ZINC001164743811	720822223	/nfs/dbraw/zinc/82/22/23/720822223.db2.gz	SMUDLVIBNWVECS-IXDOHACOSA-N	1	0	431.928	2.923	20	5		IFBDRO
CC(C)Oc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-]	ZINC001164739990	720851073	/nfs/dbraw/zinc/85/10/73/720851073.db2.gz	BJZFSRGUAMCIBD-CEXWTWQISA-N	1	0	441.536	2.748	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1	ZINC001164762288	721100894	/nfs/dbraw/zinc/10/08/94/721100894.db2.gz	DUAHCOOUUXENRG-GJZGRUSLSA-N	1	0	427.896	2.883	20	5		IFBDRO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1	ZINC001164869786	721137700	/nfs/dbraw/zinc/13/77/00/721137700.db2.gz	BNROCQINOUIDCO-LEWJYISDSA-N	1	0	432.484	2.927	20	5		IFBDRO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1	ZINC001164869788	721138288	/nfs/dbraw/zinc/13/82/88/721138288.db2.gz	BNROCQINOUIDCO-RTWAWAEBSA-N	1	0	432.484	2.927	20	5		IFBDRO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1	ZINC001164869789	721138823	/nfs/dbraw/zinc/13/88/23/721138823.db2.gz	BNROCQINOUIDCO-SFTDATJTSA-N	1	0	432.484	2.927	20	5		IFBDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164888236	721401347	/nfs/dbraw/zinc/40/13/47/721401347.db2.gz	NRHVFKUVMQYLLK-OFNKIYASSA-N	1	0	425.533	2.908	20	5		IFBDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc5cccc([N+](=O)[O-])c5n4)C3)O2)CC1	ZINC001164892967	721407209	/nfs/dbraw/zinc/40/72/09/721407209.db2.gz	ZOYUREJDJNIVKN-XXBNENTESA-N	1	0	425.533	2.908	20	5		IFBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC)c([N+](=O)[O-])cn1)CC2	ZINC001164784771	721457635	/nfs/dbraw/zinc/45/76/35/721457635.db2.gz	KBWZOLNJRQMYAQ-SFHVURJKSA-N	1	0	434.537	2.732	20	5		IFBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(OC)cc1[N+](=O)[O-])CC2	ZINC001164784100	721458366	/nfs/dbraw/zinc/45/83/66/721458366.db2.gz	GUJSUTNYTMOXBU-SFHVURJKSA-N	1	0	434.537	2.732	20	5		IFBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1	ZINC001164908015	721586465	/nfs/dbraw/zinc/58/64/65/721586465.db2.gz	YBDJSRMMUHIPAE-FQEVSTJZSA-N	1	0	447.442	2.909	20	5		IFBDRO
COc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(OC)c1[N+](=O)[O-]	ZINC001165022669	721811576	/nfs/dbraw/zinc/81/15/76/721811576.db2.gz	GMXRTPCEKKMITM-USXIJHARSA-N	1	0	428.493	2.534	20	5		IFBDRO
CN(C)/C=C/c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001164976999	722138296	/nfs/dbraw/zinc/13/82/96/722138296.db2.gz	HNGNKOSSCYROJR-CRZUHJALSA-N	1	0	438.532	2.644	20	5		IFBDRO
O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1	ZINC001164736899	720583724	/nfs/dbraw/zinc/58/37/24/720583724.db2.gz	VNNRTGLQRUJBGR-UHFFFAOYSA-N	1	0	445.833	2.912	20	5		IFBDRO
CCc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164740497	720780698	/nfs/dbraw/zinc/78/06/98/720780698.db2.gz	LJXOFGANFSUKPT-VQTJNVASSA-N	1	0	447.499	2.746	20	5		IFBDRO
O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1-c1ccc(F)cc1	ZINC001164746027	720803806	/nfs/dbraw/zinc/80/38/06/720803806.db2.gz	LLIVKCKUUVAFTB-ZWKOTPCHSA-N	1	0	436.447	2.928	20	5		IFBDRO
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164745607	720825081	/nfs/dbraw/zinc/82/50/81/720825081.db2.gz	XEGSRDNGMPGABG-HGHGUNKESA-N	1	0	434.504	2.509	20	5		IFBDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]2C1	ZINC001164857499	720880661	/nfs/dbraw/zinc/88/06/61/720880661.db2.gz	JUDUAAVPMNEXLK-AZUAARDMSA-N	1	0	427.505	2.534	20	5		IFBDRO
Cc1ncc([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1	ZINC001164755676	720885546	/nfs/dbraw/zinc/88/55/46/720885546.db2.gz	MMEIAASAIAWYOY-NZQKXSOJSA-N	1	0	438.532	2.843	20	5		IFBDRO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164866035	721055749	/nfs/dbraw/zinc/05/57/49/721055749.db2.gz	BUTZGGUNYYTTMQ-ZIAGYGMSSA-N	1	0	436.925	2.635	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@@H]3C2)cn1	ZINC001164761691	721107506	/nfs/dbraw/zinc/10/75/06/721107506.db2.gz	AHFPKGLOBBHTNP-KGLIPLIRSA-N	1	0	426.855	2.880	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)C[C@H]3C2)cn1	ZINC001164766171	721228471	/nfs/dbraw/zinc/22/84/71/721228471.db2.gz	SIGSIPWMPLNELC-ZWKOTPCHSA-N	1	0	437.479	2.883	20	5		IFBDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc5cccc([N+](=O)[O-])c5n4)C3)O2)CC1	ZINC001164892965	721406615	/nfs/dbraw/zinc/40/66/15/721406615.db2.gz	ZOYUREJDJNIVKN-CVDCTZTESA-N	1	0	425.533	2.908	20	5		IFBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1	ZINC001164794659	721504067	/nfs/dbraw/zinc/50/40/67/721504067.db2.gz	BQWYVPXZWXEAQR-UHFFFAOYSA-N	1	0	439.520	2.928	20	5		IFBDRO
COC(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1	ZINC001164908410	721696918	/nfs/dbraw/zinc/69/69/18/721696918.db2.gz	YZHSKUYCZRYVJU-FQEVSTJZSA-N	1	0	447.442	2.909	20	5		IFBDRO
COC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-]	ZINC001164904133	721709671	/nfs/dbraw/zinc/70/96/71/721709671.db2.gz	ADSVDXHEUIASEX-FQEVSTJZSA-N	1	0	447.442	2.909	20	5		IFBDRO
COC(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-]	ZINC001165023494	721815238	/nfs/dbraw/zinc/81/52/38/721815238.db2.gz	HEKXYQVTRZSBDS-ZYSHUDEJSA-N	1	0	425.489	2.908	20	5		IFBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1	ZINC001165018753	721830485	/nfs/dbraw/zinc/83/04/85/721830485.db2.gz	AELAKDAADJNLFA-QXAKKESOSA-N	1	0	439.520	2.784	20	5		IFBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1	ZINC001165018755	721830936	/nfs/dbraw/zinc/83/09/36/721830936.db2.gz	AELAKDAADJNLFA-WDSOQIARSA-N	1	0	439.520	2.784	20	5		IFBDRO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164982762	722108010	/nfs/dbraw/zinc/10/80/10/722108010.db2.gz	OVHAEOOBJPWCQK-KGLIPLIRSA-N	1	0	439.303	2.814	20	5		IFBDRO
O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)c(Cl)nn2)cc1	ZINC001164391856	718826255	/nfs/dbraw/zinc/82/62/55/718826255.db2.gz	XRAVVVAPDAXPQC-GOEBONIOSA-N	1	0	425.823	2.817	20	5		IFBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])C2	ZINC001164809735	720079847	/nfs/dbraw/zinc/07/98/47/720079847.db2.gz	JPRDBMIVNOSWDA-SCLBCKFNSA-N	1	0	427.958	2.945	20	5		IFBDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CCC2	ZINC001164813445	720240680	/nfs/dbraw/zinc/24/06/80/720240680.db2.gz	OHBGZAYQJRHSOD-UHFFFAOYSA-N	1	0	449.515	2.859	20	5		IFBDRO
CC(C)Oc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-]	ZINC001164739992	720850883	/nfs/dbraw/zinc/85/08/83/720850883.db2.gz	BJZFSRGUAMCIBD-GUDVDZBRSA-N	1	0	441.536	2.748	20	5		IFBDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)nn3)CC[C@@H]2C1	ZINC001164855449	720867903	/nfs/dbraw/zinc/86/79/03/720867903.db2.gz	MOXAURGAPNFJQB-WIYYLYMNSA-N	1	0	427.505	2.534	20	5		IFBDRO
CCc1cc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164865226	720881367	/nfs/dbraw/zinc/88/13/67/720881367.db2.gz	YYCCOPWSZOTXOV-RXVVDRJESA-N	1	0	441.532	2.788	20	5		IFBDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)CC[C@@H]2C1	ZINC001164863620	720884894	/nfs/dbraw/zinc/88/48/94/720884894.db2.gz	SWADUEGDRAARLD-UZLBHIALSA-N	1	0	447.923	2.879	20	5		IFBDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)CC[C@@H]2C1	ZINC001164863618	720884919	/nfs/dbraw/zinc/88/49/19/720884919.db2.gz	SWADUEGDRAARLD-OXQOHEQNSA-N	1	0	447.923	2.879	20	5		IFBDRO
Nc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1	ZINC001164752381	720907006	/nfs/dbraw/zinc/90/70/06/720907006.db2.gz	OBKJEWJNXZNBEM-WMZHIEFXSA-N	1	0	438.532	2.722	20	5		IFBDRO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164866032	721054969	/nfs/dbraw/zinc/05/49/69/721054969.db2.gz	BUTZGGUNYYTTMQ-KBPBESRZSA-N	1	0	436.925	2.635	20	5		IFBDRO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164866273	721067079	/nfs/dbraw/zinc/06/70/79/721067079.db2.gz	DLEQIBDEQZKKJT-CHWSQXEVSA-N	1	0	425.276	2.566	20	5		IFBDRO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164773163	721083052	/nfs/dbraw/zinc/08/30/52/721083052.db2.gz	WWJNMKVTBHSEPW-LSDHHAIUSA-N	1	0	448.911	2.512	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@@H]3C2)cn1	ZINC001164761057	721095900	/nfs/dbraw/zinc/09/59/00/721095900.db2.gz	ALRMNDSZBUZWDF-KBPBESRZSA-N	1	0	426.855	2.880	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164772204	721100284	/nfs/dbraw/zinc/10/02/84/721100284.db2.gz	UXSRHQZTODBKFC-HUUCEWRRSA-N	1	0	427.896	2.883	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164772203	721100805	/nfs/dbraw/zinc/10/08/05/721100805.db2.gz	UXSRHQZTODBKFC-GJZGRUSLSA-N	1	0	427.896	2.883	20	5		IFBDRO
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1	ZINC001164876372	721162499	/nfs/dbraw/zinc/16/24/99/721162499.db2.gz	LXVHRWAQNKBVCX-RTBURBONSA-N	1	0	432.484	2.927	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)C[C@@H]3C2)cn1	ZINC001164766170	721229295	/nfs/dbraw/zinc/22/92/95/721229295.db2.gz	SIGSIPWMPLNELC-ROUUACIJSA-N	1	0	437.479	2.883	20	5		IFBDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])c5ccccc54)C3)O2)CC1	ZINC001164888950	721405916	/nfs/dbraw/zinc/40/59/16/721405916.db2.gz	PSJKNWILRDAWKV-WZONZLPQSA-N	1	0	425.533	2.908	20	5		IFBDRO
CC(C)Oc1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ccc1[N+](=O)[O-]	ZINC001164888878	721439473	/nfs/dbraw/zinc/43/94/73/721439473.db2.gz	BCURMLCFNNYFDK-PGRDOPGGSA-N	1	0	433.553	2.542	20	5		IFBDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889698	721450794	/nfs/dbraw/zinc/45/07/94/721450794.db2.gz	PIUMOTMWNBPEAH-REWPJTCUSA-N	1	0	425.533	2.908	20	5		IFBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2	ZINC001164783251	721455268	/nfs/dbraw/zinc/45/52/68/721455268.db2.gz	AUOZFHLVTIHJJL-GOSISDBHSA-N	1	0	449.508	2.632	20	5		IFBDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc4ccccc4c(Cl)c2[N+](=O)[O-])CC3)CC1	ZINC001164794010	721512579	/nfs/dbraw/zinc/51/25/79/721512579.db2.gz	AWRJCSATFRKCNV-UHFFFAOYSA-N	1	0	441.923	2.761	20	5		IFBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164910213	721544057	/nfs/dbraw/zinc/54/40/57/721544057.db2.gz	SVXUNAFIZAJMSP-WMZOPIPTSA-N	1	0	430.436	2.648	20	5		IFBDRO
CCOC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164905960	721563680	/nfs/dbraw/zinc/56/36/80/721563680.db2.gz	IGGSZJYXGBVLSI-RDJZCZTQSA-N	1	0	430.436	2.648	20	5		IFBDRO
CCOC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164905956	721563753	/nfs/dbraw/zinc/56/37/53/721563753.db2.gz	IGGSZJYXGBVLSI-DOTOQJQBSA-N	1	0	430.436	2.648	20	5		IFBDRO
COc1cc(C)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1[N+](=O)[O-]	ZINC001164962313	722055393	/nfs/dbraw/zinc/05/53/93/722055393.db2.gz	CVNSEXUUGXXLBD-UHFFFAOYSA-N	1	0	427.505	2.821	20	5		IFBDRO
C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CCC2	ZINC001165000333	722252356	/nfs/dbraw/zinc/25/23/56/722252356.db2.gz	OILPRBVPEXPWAI-UHFFFAOYSA-N	1	0	444.870	2.873	20	5		IFBDRO
O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c(Cl)nn2)cc1	ZINC001164391858	718826235	/nfs/dbraw/zinc/82/62/35/718826235.db2.gz	XRAVVVAPDAXPQC-HOCLYGCPSA-N	1	0	425.823	2.817	20	5		IFBDRO
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)c(Cl)nn2)c1	ZINC001164391637	718826318	/nfs/dbraw/zinc/82/63/18/718826318.db2.gz	WBDYYKPWKGKINT-GOEBONIOSA-N	1	0	425.823	2.817	20	5		IFBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OC)c([N+](=O)[O-])cc31)C2	ZINC001164812499	720118518	/nfs/dbraw/zinc/11/85/18/720118518.db2.gz	OTQHZVGJCBSKKE-OPAMFIHVSA-N	1	0	427.505	2.731	20	5		IFBDRO
CC(C)Oc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC001164822403	720343707	/nfs/dbraw/zinc/34/37/07/720343707.db2.gz	DOYIBTUPJQUXCF-ZWKOTPCHSA-N	1	0	431.537	2.689	20	5		IFBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1	ZINC001164833762	720570266	/nfs/dbraw/zinc/57/02/66/720570266.db2.gz	BNTQDZBDIAWQBI-IMFGXOCKSA-N	1	0	442.520	2.741	20	5		IFBDRO
O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1-c1ccc(F)cc1	ZINC001164746026	720803442	/nfs/dbraw/zinc/80/34/42/720803442.db2.gz	LLIVKCKUUVAFTB-ROUUACIJSA-N	1	0	436.447	2.928	20	5		IFBDRO
O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1	ZINC001164747401	720815030	/nfs/dbraw/zinc/81/50/30/720815030.db2.gz	NYSTWSJEAOCJFR-YRISNDGFSA-N	1	0	434.504	2.509	20	5		IFBDRO
Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl	ZINC001164743809	720822058	/nfs/dbraw/zinc/82/20/58/720822058.db2.gz	SMUDLVIBNWVECS-BRWVUGGUSA-N	1	0	431.928	2.923	20	5		IFBDRO
Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl	ZINC001164743810	720822082	/nfs/dbraw/zinc/82/20/82/720822082.db2.gz	SMUDLVIBNWVECS-GVDBMIGSSA-N	1	0	431.928	2.923	20	5		IFBDRO
O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c21	ZINC001164744876	720856131	/nfs/dbraw/zinc/85/61/31/720856131.db2.gz	CQLAPYMQLDPODK-YQVWRLOYSA-N	1	0	434.504	2.509	20	5		IFBDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)nn3)CC[C@H]2C1	ZINC001164855448	720867699	/nfs/dbraw/zinc/86/76/99/720867699.db2.gz	MOXAURGAPNFJQB-RXVVDRJESA-N	1	0	427.505	2.534	20	5		IFBDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)nn3)CC[C@@H]2C1	ZINC001164855447	720867823	/nfs/dbraw/zinc/86/78/23/720867823.db2.gz	MOXAURGAPNFJQB-NQIIRXRSSA-N	1	0	427.505	2.534	20	5		IFBDRO
COCC[N@@H+]1CCO[C@H]2CN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]2C1	ZINC001164857505	720880569	/nfs/dbraw/zinc/88/05/69/720880569.db2.gz	JUDUAAVPMNEXLK-QUCCMNQESA-N	1	0	427.505	2.534	20	5		IFBDRO
Cc1ncc([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1	ZINC001164755678	720885356	/nfs/dbraw/zinc/88/53/56/720885356.db2.gz	MMEIAASAIAWYOY-REWPJTCUSA-N	1	0	438.532	2.843	20	5		IFBDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC[C@H]2C1	ZINC001164858225	720889310	/nfs/dbraw/zinc/88/93/10/720889310.db2.gz	KOPZYVOACJJNHP-FXAWDEMLSA-N	1	0	430.480	2.969	20	5		IFBDRO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164866033	721054344	/nfs/dbraw/zinc/05/43/44/721054344.db2.gz	BUTZGGUNYYTTMQ-KGLIPLIRSA-N	1	0	436.925	2.635	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@H]3C2)cn1	ZINC001164769310	721077986	/nfs/dbraw/zinc/07/79/86/721077986.db2.gz	OLFXHAGFPOPKDC-UONOGXRCSA-N	1	0	426.855	2.880	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@H]3C2)cn1	ZINC001164761064	721096616	/nfs/dbraw/zinc/09/66/16/721096616.db2.gz	ALRMNDSZBUZWDF-ZIAGYGMSSA-N	1	0	426.855	2.880	20	5		IFBDRO
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1	ZINC001164876371	721161976	/nfs/dbraw/zinc/16/19/76/721161976.db2.gz	LXVHRWAQNKBVCX-RBUKOAKNSA-N	1	0	432.484	2.927	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164768479	721203903	/nfs/dbraw/zinc/20/39/03/721203903.db2.gz	LEPWTJQBUIIJKV-NEPJUHHUSA-N	1	0	445.833	2.749	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)C[C@@H]3C2)cn1	ZINC001164766168	721228644	/nfs/dbraw/zinc/22/86/44/721228644.db2.gz	SIGSIPWMPLNELC-MSOLQXFVSA-N	1	0	437.479	2.883	20	5		IFBDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc4ccc(Cl)nc4cc2[N+](=O)[O-])CC3)CC1	ZINC001164796150	721522148	/nfs/dbraw/zinc/52/21/48/721522148.db2.gz	WNLLVJQEMXKOGP-UHFFFAOYSA-N	1	0	441.923	2.761	20	5		IFBDRO
COc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(OC)c1[N+](=O)[O-]	ZINC001165022672	721811528	/nfs/dbraw/zinc/81/15/28/721811528.db2.gz	GMXRTPCEKKMITM-XIRDDKMYSA-N	1	0	428.493	2.534	20	5		IFBDRO
CN(C)/C=C\c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001164977003	722138309	/nfs/dbraw/zinc/13/83/09/722138309.db2.gz	HNGNKOSSCYROJR-NTRZOVMUSA-N	1	0	438.532	2.644	20	5		IFBDRO
CC(C)Oc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-]	ZINC001164980286	722146190	/nfs/dbraw/zinc/14/61/90/722146190.db2.gz	MNEGFGRQWAFHDF-QUCCMNQESA-N	1	0	427.505	2.899	20	5		IFBDRO
C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CCC2	ZINC001165004027	722257019	/nfs/dbraw/zinc/25/70/19/722257019.db2.gz	LRCIUCOLMBSAJM-UHFFFAOYSA-N	1	0	437.504	2.737	20	5		IFBDRO
C[NH+](C)CCOCc1ncn2c1CN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CCC2	ZINC001165003377	722258111	/nfs/dbraw/zinc/25/81/11/722258111.db2.gz	ASKLUHGWAKTUTO-UHFFFAOYSA-N	1	0	445.911	2.876	20	5		IFBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(OC)n1)CC2	ZINC001164712084	720104083	/nfs/dbraw/zinc/10/40/83/720104083.db2.gz	VFCLZXRKEYSERI-GOSISDBHSA-N	1	0	427.505	2.901	20	5		IFBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(OC)cc1[N+](=O)[O-])CC2	ZINC001164716320	720115530	/nfs/dbraw/zinc/11/55/30/720115530.db2.gz	KHDHJMZVGSTPRR-GOSISDBHSA-N	1	0	427.505	2.901	20	5		IFBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OC)c([N+](=O)[O-])cc31)C2	ZINC001164812497	720118871	/nfs/dbraw/zinc/11/88/71/720118871.db2.gz	OTQHZVGJCBSKKE-AOMKIAJQSA-N	1	0	427.505	2.731	20	5		IFBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2	ZINC001164719116	720119954	/nfs/dbraw/zinc/11/99/54/720119954.db2.gz	WJRZVQLOYYEXKL-KRWDZBQOSA-N	1	0	447.923	2.784	20	5		IFBDRO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCc2ncc(C[NH+]3CCCC3)n2CC1	ZINC001164734148	720551826	/nfs/dbraw/zinc/55/18/26/720551826.db2.gz	WFJMOTRDYGPADC-UHFFFAOYSA-N	1	0	448.911	2.675	20	5		IFBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1	ZINC001164833759	720570999	/nfs/dbraw/zinc/57/09/99/720570999.db2.gz	BNTQDZBDIAWQBI-ILZDJORESA-N	1	0	442.520	2.741	20	5		IFBDRO
CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-]	ZINC001164836155	720633664	/nfs/dbraw/zinc/63/36/64/720633664.db2.gz	DWPWNKVINCSDIP-JENIJYKNSA-N	1	0	442.520	2.741	20	5		IFBDRO
CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-]	ZINC001164836161	720634540	/nfs/dbraw/zinc/63/45/40/720634540.db2.gz	DWPWNKVINCSDIP-ZIFCJYIRSA-N	1	0	442.520	2.741	20	5		IFBDRO
COc1nc(C)c([N+](=O)[O-])c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1	ZINC001164844905	720690744	/nfs/dbraw/zinc/69/07/44/720690744.db2.gz	WDLGAGUIVJWTRL-GOSISDBHSA-N	1	0	427.505	2.962	20	5		IFBDRO
O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cnc2c1	ZINC001164737408	720817361	/nfs/dbraw/zinc/81/73/61/720817361.db2.gz	AYBARWRXHHRONP-PLMTUMEDSA-N	1	0	434.504	2.509	20	5		IFBDRO
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164745606	720824872	/nfs/dbraw/zinc/82/48/72/720824872.db2.gz	XEGSRDNGMPGABG-DJPFJPOOSA-N	1	0	434.504	2.509	20	5		IFBDRO
CC(C)Oc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-]	ZINC001164739991	720850736	/nfs/dbraw/zinc/85/07/36/720850736.db2.gz	BJZFSRGUAMCIBD-GBESFXJTSA-N	1	0	441.536	2.748	20	5		IFBDRO
Cc1ncc([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1	ZINC001164755677	720885714	/nfs/dbraw/zinc/88/57/14/720885714.db2.gz	MMEIAASAIAWYOY-OFNKIYASSA-N	1	0	438.532	2.843	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164768494	721204350	/nfs/dbraw/zinc/20/43/50/721204350.db2.gz	LEPWTJQBUIIJKV-VXGBXAGGSA-N	1	0	445.833	2.749	20	5		IFBDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])c5ccccc54)C3)O2)CC1	ZINC001164888945	721405554	/nfs/dbraw/zinc/40/55/54/721405554.db2.gz	PSJKNWILRDAWKV-JPYJTQIMSA-N	1	0	425.533	2.908	20	5		IFBDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])c5ccccc54)C3)O2)CC1	ZINC001164888943	721405963	/nfs/dbraw/zinc/40/59/63/721405963.db2.gz	PSJKNWILRDAWKV-FDDCHVKYSA-N	1	0	425.533	2.908	20	5		IFBDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890216	721429431	/nfs/dbraw/zinc/42/94/31/721429431.db2.gz	CKHULRQKDBYRPV-NFBKMPQASA-N	1	0	425.533	2.908	20	5		IFBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(OC)n1)CC2	ZINC001164785978	721453849	/nfs/dbraw/zinc/45/38/49/721453849.db2.gz	KRIPLOKPEDIXME-GOSISDBHSA-N	1	0	434.537	2.732	20	5		IFBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164910210	721543815	/nfs/dbraw/zinc/54/38/15/721543815.db2.gz	SVXUNAFIZAJMSP-SJLPKXTDSA-N	1	0	430.436	2.648	20	5		IFBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1	ZINC001164908016	721586383	/nfs/dbraw/zinc/58/63/83/721586383.db2.gz	YBDJSRMMUHIPAE-HXUWFJFHSA-N	1	0	447.442	2.909	20	5		IFBDRO
COc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(OC)c1[N+](=O)[O-]	ZINC001165022668	721811479	/nfs/dbraw/zinc/81/14/79/721811479.db2.gz	GMXRTPCEKKMITM-UAGQMJEPSA-N	1	0	428.493	2.534	20	5		IFBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1	ZINC001165020740	721831925	/nfs/dbraw/zinc/83/19/25/721831925.db2.gz	DNYZQVFLTGGEHI-WDYCEAGBSA-N	1	0	425.489	2.908	20	5		IFBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1	ZINC001164957346	722024587	/nfs/dbraw/zinc/02/45/87/722024587.db2.gz	AYBWLECXRLXPFR-UHFFFAOYSA-N	1	0	425.493	2.539	20	5		IFBDRO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164982764	722107845	/nfs/dbraw/zinc/10/78/45/722107845.db2.gz	OVHAEOOBJPWCQK-ZIAGYGMSSA-N	1	0	439.303	2.814	20	5		IFBDRO
CC(C)Oc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC001164980284	722146742	/nfs/dbraw/zinc/14/67/42/722146742.db2.gz	MNEGFGRQWAFHDF-AZUAARDMSA-N	1	0	427.505	2.899	20	5		IFBDRO
C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CCC2	ZINC001164999521	722252114	/nfs/dbraw/zinc/25/21/14/722252114.db2.gz	AAGVKPYKIUBXRT-UHFFFAOYSA-N	1	0	445.911	2.876	20	5		IFBDRO
COC(=O)c1nc(Cl)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-]	ZINC001164627275	719063956	/nfs/dbraw/zinc/06/39/56/719063956.db2.gz	QFXBAYHGZCLHEM-LSDHHAIUSA-N	1	0	431.880	2.926	20	5		IFBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])C2	ZINC001164809734	720079172	/nfs/dbraw/zinc/07/91/72/720079172.db2.gz	JPRDBMIVNOSWDA-FZKQIMNGSA-N	1	0	427.958	2.945	20	5		IFBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1[N+](=O)[O-])CC2	ZINC001164709620	720095127	/nfs/dbraw/zinc/09/51/27/720095127.db2.gz	BMCYXPYKNTULEW-INIZCTEOSA-N	1	0	432.912	2.941	20	5		IFBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])CC2	ZINC001164719529	720118002	/nfs/dbraw/zinc/11/80/02/720118002.db2.gz	YIKXJZGXKMFWFH-GOSISDBHSA-N	1	0	442.520	2.604	20	5		IFBDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CCC2	ZINC001164813457	720235125	/nfs/dbraw/zinc/23/51/25/720235125.db2.gz	OKJPNIFBVIZTEA-UHFFFAOYSA-N	1	0	449.515	2.859	20	5		IFBDRO
Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1	ZINC001164738822	720822609	/nfs/dbraw/zinc/82/26/09/720822609.db2.gz	GVPMBVGVSREGLW-JFIYKMOQSA-N	1	0	431.928	2.923	20	5		IFBDRO
O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c21	ZINC001164744883	720856051	/nfs/dbraw/zinc/85/60/51/720856051.db2.gz	CQLAPYMQLDPODK-ZIFCJYIRSA-N	1	0	434.504	2.509	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1	ZINC001164762290	721100224	/nfs/dbraw/zinc/10/02/24/721100224.db2.gz	DUAHCOOUUXENRG-HUUCEWRRSA-N	1	0	427.896	2.883	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@H]3C2)cn1	ZINC001164761693	721106697	/nfs/dbraw/zinc/10/66/97/721106697.db2.gz	AHFPKGLOBBHTNP-ZIAGYGMSSA-N	1	0	426.855	2.880	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@@H]3C2)cn1	ZINC001164761690	721107111	/nfs/dbraw/zinc/10/71/11/721107111.db2.gz	AHFPKGLOBBHTNP-KBPBESRZSA-N	1	0	426.855	2.880	20	5		IFBDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(cccc5[N+](=O)[O-])n4)C3)O2)CC1	ZINC001164890395	721408714	/nfs/dbraw/zinc/40/87/14/721408714.db2.gz	SLGKCKPRQHYLJD-MBSDFSHPSA-N	1	0	425.533	2.908	20	5		IFBDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890217	721429027	/nfs/dbraw/zinc/42/90/27/721429027.db2.gz	CKHULRQKDBYRPV-NZQKXSOJSA-N	1	0	425.533	2.908	20	5		IFBDRO
CC(C)Oc1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ccc1[N+](=O)[O-]	ZINC001164888881	721439666	/nfs/dbraw/zinc/43/96/66/721439666.db2.gz	BCURMLCFNNYFDK-XMSQKQJNSA-N	1	0	433.553	2.542	20	5		IFBDRO
CC(C)Oc1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ccc1[N+](=O)[O-]	ZINC001164888873	721439805	/nfs/dbraw/zinc/43/98/05/721439805.db2.gz	BCURMLCFNNYFDK-GCJKJVERSA-N	1	0	433.553	2.542	20	5		IFBDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc([N+](=O)[O-])c(-c4ccccc4)n2)CC3)CC1	ZINC001164794852	721521869	/nfs/dbraw/zinc/52/18/69/721521869.db2.gz	IOBIMWZURWVPHF-UHFFFAOYSA-N	1	0	433.516	2.621	20	5		IFBDRO
COc1nc(C)c([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1	ZINC001164907411	721703413	/nfs/dbraw/zinc/70/34/13/721703413.db2.gz	RPPMMFGYKVPDLZ-LJQANCHMSA-N	1	0	434.447	2.835	20	5		IFBDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1	ZINC001165010101	721734127	/nfs/dbraw/zinc/73/41/27/721734127.db2.gz	AFVGJSPMXFVHRW-UHFFFAOYSA-N	1	0	432.912	2.714	20	5		IFBDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1	ZINC001165012667	721750557	/nfs/dbraw/zinc/75/05/57/721750557.db2.gz	LXFJYASWKMBALP-UHFFFAOYSA-N	1	0	432.912	2.714	20	5		IFBDRO
COC(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-]	ZINC001165023490	721815359	/nfs/dbraw/zinc/81/53/59/721815359.db2.gz	HEKXYQVTRZSBDS-KFKAGJAMSA-N	1	0	425.489	2.908	20	5		IFBDRO
COC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c([N+](=O)[O-])c1	ZINC001164941034	721923765	/nfs/dbraw/zinc/92/37/65/721923765.db2.gz	ZDDIBMHFGGABPC-UHFFFAOYSA-N	1	0	440.500	2.956	20	5		IFBDRO
C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CCC2	ZINC001165000618	722250704	/nfs/dbraw/zinc/25/07/04/722250704.db2.gz	UTUMCBLOJXVUMG-UHFFFAOYSA-N	1	0	444.870	2.873	20	5		IFBDRO
C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CCC2	ZINC001165004076	722255954	/nfs/dbraw/zinc/25/59/54/722255954.db2.gz	MNQINQCYPQJISO-UHFFFAOYSA-N	1	0	437.504	2.737	20	5		IFBDRO
CCOC(=O)C1CC[NH+](C2CCN(c3cc(/C=C/N(C)C)c([N+](=O)[O-])cn3)CC2)CC1	ZINC001164616436	719031661	/nfs/dbraw/zinc/03/16/61/719031661.db2.gz	BXGVKEPTMDFBKQ-BJMVGYQFSA-N	1	0	431.537	2.766	20	5		IFBDRO
COC(=O)c1nc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-]	ZINC001164627268	719064220	/nfs/dbraw/zinc/06/42/20/719064220.db2.gz	QFXBAYHGZCLHEM-CABCVRRESA-N	1	0	431.880	2.926	20	5		IFBDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CC2	ZINC001164690096	719754959	/nfs/dbraw/zinc/75/49/59/719754959.db2.gz	SLOPTUBJVSZGLI-UHFFFAOYSA-N	1	0	427.480	2.977	20	5		IFBDRO
COc1nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc(OC)c1[N+](=O)[O-]	ZINC001164693733	719808393	/nfs/dbraw/zinc/80/83/93/719808393.db2.gz	QXOQKYMXEDGUJF-UHFFFAOYSA-N	1	0	434.522	2.802	20	5		IFBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1[N+](=O)[O-])CC2	ZINC001164709622	720095760	/nfs/dbraw/zinc/09/57/60/720095760.db2.gz	BMCYXPYKNTULEW-MRXNPFEDSA-N	1	0	432.912	2.941	20	5		IFBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])CC2	ZINC001164719530	720117939	/nfs/dbraw/zinc/11/79/39/720117939.db2.gz	YIKXJZGXKMFWFH-SFHVURJKSA-N	1	0	442.520	2.604	20	5		IFBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2	ZINC001164719117	720120845	/nfs/dbraw/zinc/12/08/45/720120845.db2.gz	WJRZVQLOYYEXKL-QGZVFWFLSA-N	1	0	447.923	2.784	20	5		IFBDRO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)ccc21	ZINC001164736848	720716107	/nfs/dbraw/zinc/71/61/07/720716107.db2.gz	BPLCKEXLZLRUDG-ZIAGYGMSSA-N	1	0	426.864	2.928	20	5		IFBDRO
O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cnc2c1	ZINC001164737407	720817440	/nfs/dbraw/zinc/81/74/40/720817440.db2.gz	AYBARWRXHHRONP-HGHGUNKESA-N	1	0	434.504	2.509	20	5		IFBDRO
O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c21	ZINC001164744871	720856197	/nfs/dbraw/zinc/85/61/97/720856197.db2.gz	CQLAPYMQLDPODK-JENIJYKNSA-N	1	0	434.504	2.509	20	5		IFBDRO
CCc1cc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164865224	720881291	/nfs/dbraw/zinc/88/12/91/720881291.db2.gz	YYCCOPWSZOTXOV-NQIIRXRSSA-N	1	0	441.532	2.788	20	5		IFBDRO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001164773154	721083380	/nfs/dbraw/zinc/08/33/80/721083380.db2.gz	WWJNMKVTBHSEPW-CABCVRRESA-N	1	0	448.911	2.512	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@@H]3C2)cn1	ZINC001164761059	721095521	/nfs/dbraw/zinc/09/55/21/721095521.db2.gz	ALRMNDSZBUZWDF-KGLIPLIRSA-N	1	0	426.855	2.880	20	5		IFBDRO
CSc1nc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164863857	721097515	/nfs/dbraw/zinc/09/75/15/721097515.db2.gz	DHVCAEDOYOJIQG-UONOGXRCSA-N	1	0	436.925	2.635	20	5		IFBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(OC)n1)CC2	ZINC001164785979	721454122	/nfs/dbraw/zinc/45/41/22/721454122.db2.gz	KRIPLOKPEDIXME-SFHVURJKSA-N	1	0	434.537	2.732	20	5		IFBDRO
CCOC(=O)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164905961	721563119	/nfs/dbraw/zinc/56/31/19/721563119.db2.gz	IGGSZJYXGBVLSI-WBVHZDCISA-N	1	0	430.436	2.648	20	5		IFBDRO
O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000072173384	563165207	/nfs/dbraw/zinc/16/52/07/563165207.db2.gz	YUOLESGAMDOQTL-UHFFFAOYSA-N	1	0	434.500	2.927	20	5		IFBDRO
O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[NH2+]CCO[C@H]3C2)c(Cl)nn1	ZINC001164390202	718826044	/nfs/dbraw/zinc/82/60/44/718826044.db2.gz	MXMRYLQEHVHSSQ-CJNGLKHVSA-N	1	0	425.823	2.817	20	5		IFBDRO
COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1	ZINC001164635283	719138857	/nfs/dbraw/zinc/13/88/57/719138857.db2.gz	WVCHFNVGZLWBPW-HNNXBMFYSA-N	1	0	426.807	2.806	20	5		IFBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])C2	ZINC001164809733	720079257	/nfs/dbraw/zinc/07/92/57/720079257.db2.gz	JPRDBMIVNOSWDA-ACJLOTCBSA-N	1	0	427.958	2.945	20	5		IFBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])C2	ZINC001164809736	720080022	/nfs/dbraw/zinc/08/00/22/720080022.db2.gz	JPRDBMIVNOSWDA-UGSOOPFHSA-N	1	0	427.958	2.945	20	5		IFBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OC)c([N+](=O)[O-])cc31)C2	ZINC001164812500	720118505	/nfs/dbraw/zinc/11/85/05/720118505.db2.gz	OTQHZVGJCBSKKE-ZHRRBRCNSA-N	1	0	427.505	2.731	20	5		IFBDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1	ZINC001164819124	720307110	/nfs/dbraw/zinc/30/71/10/720307110.db2.gz	CFCHGUXNGWGMFF-QWHCGFSZSA-N	1	0	443.335	2.603	20	5		IFBDRO
O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1-c1ccc(F)cc1	ZINC001164746025	720803541	/nfs/dbraw/zinc/80/35/41/720803541.db2.gz	LLIVKCKUUVAFTB-QZTJIDSGSA-N	1	0	436.447	2.928	20	5		IFBDRO
COCC[N@@H+]1CCO[C@H]2CN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]2C1	ZINC001164857502	720880549	/nfs/dbraw/zinc/88/05/49/720880549.db2.gz	JUDUAAVPMNEXLK-ICSRJNTNSA-N	1	0	427.505	2.534	20	5		IFBDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC[C@@H]2C1	ZINC001164858233	720889660	/nfs/dbraw/zinc/88/96/60/720889660.db2.gz	KOPZYVOACJJNHP-XLIONFOSSA-N	1	0	430.480	2.969	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@H]3C2)cn1	ZINC001164769316	721077441	/nfs/dbraw/zinc/07/74/41/721077441.db2.gz	OLFXHAGFPOPKDC-ZIAGYGMSSA-N	1	0	426.855	2.880	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@H]3C2)cn1	ZINC001164761061	721095605	/nfs/dbraw/zinc/09/56/05/721095605.db2.gz	ALRMNDSZBUZWDF-UONOGXRCSA-N	1	0	426.855	2.880	20	5		IFBDRO
CSc1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164863832	721098007	/nfs/dbraw/zinc/09/80/07/721098007.db2.gz	DHVCAEDOYOJIQG-KBPBESRZSA-N	1	0	436.925	2.635	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164772202	721101531	/nfs/dbraw/zinc/10/15/31/721101531.db2.gz	UXSRHQZTODBKFC-CABCVRRESA-N	1	0	427.896	2.883	20	5		IFBDRO
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1	ZINC001164876369	721163071	/nfs/dbraw/zinc/16/30/71/721163071.db2.gz	LXVHRWAQNKBVCX-MOPGFXCFSA-N	1	0	432.484	2.927	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164768489	721203775	/nfs/dbraw/zinc/20/37/75/721203775.db2.gz	LEPWTJQBUIIJKV-RYUDHWBXSA-N	1	0	445.833	2.749	20	5		IFBDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890218	721429572	/nfs/dbraw/zinc/42/95/72/721429572.db2.gz	CKHULRQKDBYRPV-OFNKIYASSA-N	1	0	425.533	2.908	20	5		IFBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(OC)cc1[N+](=O)[O-])CC2	ZINC001164784094	721458361	/nfs/dbraw/zinc/45/83/61/721458361.db2.gz	GUJSUTNYTMOXBU-GOSISDBHSA-N	1	0	434.537	2.732	20	5		IFBDRO
COc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc(OC)c1[N+](=O)[O-]	ZINC001164792017	721495530	/nfs/dbraw/zinc/49/55/30/721495530.db2.gz	JUZYUVHPBBNHKF-UHFFFAOYSA-N	1	0	428.493	2.678	20	5		IFBDRO
CCOC(=O)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164905958	721563695	/nfs/dbraw/zinc/56/36/95/721563695.db2.gz	IGGSZJYXGBVLSI-NVXWUHKLSA-N	1	0	430.436	2.648	20	5		IFBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2	ZINC001164719500	720107081	/nfs/dbraw/zinc/10/70/81/720107081.db2.gz	XNYUZWHHLJTZAN-GOSISDBHSA-N	1	0	442.476	2.801	20	5		IFBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(OC)cc1[N+](=O)[O-])CC2	ZINC001164716325	720115287	/nfs/dbraw/zinc/11/52/87/720115287.db2.gz	KHDHJMZVGSTPRR-SFHVURJKSA-N	1	0	427.505	2.901	20	5		IFBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])C2	ZINC001164811087	720124364	/nfs/dbraw/zinc/12/43/64/720124364.db2.gz	LHKSPDFFZVVZOZ-SCLBCKFNSA-N	1	0	427.958	2.945	20	5		IFBDRO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)ccc21	ZINC001164736847	720717753	/nfs/dbraw/zinc/71/77/53/720717753.db2.gz	BPLCKEXLZLRUDG-UONOGXRCSA-N	1	0	426.864	2.928	20	5		IFBDRO
Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1	ZINC001164738824	720822832	/nfs/dbraw/zinc/82/28/32/720822832.db2.gz	GVPMBVGVSREGLW-SOLBZPMBSA-N	1	0	431.928	2.923	20	5		IFBDRO
Nc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164749632	720895669	/nfs/dbraw/zinc/89/56/69/720895669.db2.gz	ALXGSUNKFKBSJW-WMZHIEFXSA-N	1	0	438.532	2.722	20	5		IFBDRO
Nc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1	ZINC001164752379	720907224	/nfs/dbraw/zinc/90/72/24/720907224.db2.gz	OBKJEWJNXZNBEM-CVDCTZTESA-N	1	0	438.532	2.722	20	5		IFBDRO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1	ZINC001164869787	721138765	/nfs/dbraw/zinc/13/87/65/721138765.db2.gz	BNROCQINOUIDCO-NHCUHLMSSA-N	1	0	432.484	2.927	20	5		IFBDRO
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1	ZINC001164876370	721163161	/nfs/dbraw/zinc/16/31/61/721163161.db2.gz	LXVHRWAQNKBVCX-OALUTQOASA-N	1	0	432.484	2.927	20	5		IFBDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164888235	721401470	/nfs/dbraw/zinc/40/14/70/721401470.db2.gz	NRHVFKUVMQYLLK-NZQKXSOJSA-N	1	0	425.533	2.908	20	5		IFBDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])c5ccccc54)C3)O2)CC1	ZINC001164888948	721405597	/nfs/dbraw/zinc/40/55/97/721405597.db2.gz	PSJKNWILRDAWKV-MBSDFSHPSA-N	1	0	425.533	2.908	20	5		IFBDRO
C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(Cl)nc4ccc([N+](=O)[O-])cc42)CC3)CC1	ZINC001164796773	721519462	/nfs/dbraw/zinc/51/94/62/721519462.db2.gz	CGAZVPYKWZYKMA-UHFFFAOYSA-N	1	0	441.923	2.761	20	5		IFBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1	ZINC001164909686	721738777	/nfs/dbraw/zinc/73/87/77/721738777.db2.gz	CYZJIRACGWQZEF-FQEVSTJZSA-N	1	0	447.442	2.909	20	5		IFBDRO
Cc1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001165011624	721747069	/nfs/dbraw/zinc/74/70/69/721747069.db2.gz	ZSRBFLNKZPOANX-UHFFFAOYSA-N	1	0	438.532	2.883	20	5		IFBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1	ZINC001165018757	721830998	/nfs/dbraw/zinc/83/09/98/721830998.db2.gz	AELAKDAADJNLFA-YTQUADARSA-N	1	0	439.520	2.784	20	5		IFBDRO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1	ZINC001165018754	721831059	/nfs/dbraw/zinc/83/10/59/721831059.db2.gz	AELAKDAADJNLFA-UHOSZYNNSA-N	1	0	439.520	2.784	20	5		IFBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1	ZINC001165020347	721838452	/nfs/dbraw/zinc/83/84/52/721838452.db2.gz	IIUKGMKBWSXBNB-UHFFFAOYSA-N	1	0	444.488	2.894	20	5		IFBDRO
CC(C)Oc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-]	ZINC001164980285	722146393	/nfs/dbraw/zinc/14/63/93/722146393.db2.gz	MNEGFGRQWAFHDF-ICSRJNTNSA-N	1	0	427.505	2.899	20	5		IFBDRO
C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CCC2	ZINC001164999589	722251684	/nfs/dbraw/zinc/25/16/84/722251684.db2.gz	DDMPMQDNOYOBDU-UHFFFAOYSA-N	1	0	444.870	2.873	20	5		IFBDRO
O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3[NH2+]CCO[C@@H]3C2)c(Cl)nn1	ZINC001164390204	718826196	/nfs/dbraw/zinc/82/61/96/718826196.db2.gz	MXMRYLQEHVHSSQ-CZUORRHYSA-N	1	0	425.823	2.817	20	5		IFBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(OC)n1)CC2	ZINC001164712087	720104630	/nfs/dbraw/zinc/10/46/30/720104630.db2.gz	VFCLZXRKEYSERI-SFHVURJKSA-N	1	0	427.505	2.901	20	5		IFBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])C2	ZINC001164811088	720125150	/nfs/dbraw/zinc/12/51/50/720125150.db2.gz	LHKSPDFFZVVZOZ-UGSOOPFHSA-N	1	0	427.958	2.945	20	5		IFBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2	ZINC001164717379	720127255	/nfs/dbraw/zinc/12/72/55/720127255.db2.gz	OCSBZYWSHMXSQR-SFHVURJKSA-N	1	0	447.923	2.784	20	5		IFBDRO
CC(C)Oc1nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)ccc1[N+](=O)[O-]	ZINC001164813483	720240246	/nfs/dbraw/zinc/24/02/46/720240246.db2.gz	OUFIBZOGQOUYNR-UHFFFAOYSA-N	1	0	430.509	2.584	20	5		IFBDRO
CC(C)Oc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC001164822394	720343857	/nfs/dbraw/zinc/34/38/57/720343857.db2.gz	DOYIBTUPJQUXCF-MSOLQXFVSA-N	1	0	431.537	2.689	20	5		IFBDRO
Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1	ZINC001164738825	720822516	/nfs/dbraw/zinc/82/25/16/720822516.db2.gz	GVPMBVGVSREGLW-XYJFISCASA-N	1	0	431.928	2.923	20	5		IFBDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]2C1	ZINC001164857507	720880670	/nfs/dbraw/zinc/88/06/70/720880670.db2.gz	JUDUAAVPMNEXLK-UYAOXDASSA-N	1	0	427.505	2.534	20	5		IFBDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)CC2	ZINC001164750140	720958390	/nfs/dbraw/zinc/95/83/90/720958390.db2.gz	KDWNJZCIRUHUEG-UHFFFAOYSA-N	1	0	444.879	2.639	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@@H]3C2)cn1	ZINC001164769299	721077606	/nfs/dbraw/zinc/07/76/06/721077606.db2.gz	OLFXHAGFPOPKDC-KBPBESRZSA-N	1	0	426.855	2.880	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C[C@H]3C2)cn1	ZINC001164769705	721246162	/nfs/dbraw/zinc/24/61/62/721246162.db2.gz	ZFLOPXAEFGKLAN-LSDHHAIUSA-N	1	0	427.896	2.883	20	5		IFBDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc5c(cccc5[N+](=O)[O-])n4)C3)O2)CC1	ZINC001164890392	721407967	/nfs/dbraw/zinc/40/79/67/721407967.db2.gz	SLGKCKPRQHYLJD-JPYJTQIMSA-N	1	0	425.533	2.908	20	5		IFBDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889696	721451006	/nfs/dbraw/zinc/45/10/06/721451006.db2.gz	PIUMOTMWNBPEAH-NZQKXSOJSA-N	1	0	425.533	2.908	20	5		IFBDRO
COc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(OC)c1[N+](=O)[O-]	ZINC001165022667	721811640	/nfs/dbraw/zinc/81/16/40/721811640.db2.gz	GMXRTPCEKKMITM-BHYGNILZSA-N	1	0	428.493	2.534	20	5		IFBDRO
COC(=O)c1nc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1[N+](=O)[O-]	ZINC001164953710	722014772	/nfs/dbraw/zinc/01/47/72/722014772.db2.gz	XJNBOEKIORWKGT-UHFFFAOYSA-N	1	0	446.895	2.712	20	5		IFBDRO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1	ZINC001164959627	722053431	/nfs/dbraw/zinc/05/34/31/722053431.db2.gz	NJMPJABXUCXMPG-UHFFFAOYSA-N	1	0	432.912	2.861	20	5		IFBDRO
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@H]4C3)c(Cl)nn2)c1	ZINC001164391639	718826146	/nfs/dbraw/zinc/82/61/46/718826146.db2.gz	WBDYYKPWKGKINT-ZBFHGGJFSA-N	1	0	425.823	2.817	20	5		IFBDRO
CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)CC2	ZINC001164689848	719751413	/nfs/dbraw/zinc/75/14/13/719751413.db2.gz	LVWYOEMGAIFQDM-UHFFFAOYSA-N	1	0	444.923	2.886	20	5		IFBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2	ZINC001164717378	720126784	/nfs/dbraw/zinc/12/67/84/720126784.db2.gz	OCSBZYWSHMXSQR-GOSISDBHSA-N	1	0	447.923	2.784	20	5		IFBDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1	ZINC001164819117	720306643	/nfs/dbraw/zinc/30/66/43/720306643.db2.gz	CFCHGUXNGWGMFF-CHWSQXEVSA-N	1	0	443.335	2.603	20	5		IFBDRO
CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-]	ZINC001164836159	720634653	/nfs/dbraw/zinc/63/46/53/720634653.db2.gz	DWPWNKVINCSDIP-ZHALLVOQSA-N	1	0	442.520	2.741	20	5		IFBDRO
CCc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164740488	720782082	/nfs/dbraw/zinc/78/20/82/720782082.db2.gz	LJXOFGANFSUKPT-PMACEKPBSA-N	1	0	447.499	2.746	20	5		IFBDRO
O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1-c1ccc(F)cc1	ZINC001164746023	720803824	/nfs/dbraw/zinc/80/38/24/720803824.db2.gz	LLIVKCKUUVAFTB-MSOLQXFVSA-N	1	0	436.447	2.928	20	5		IFBDRO
O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1	ZINC001164747398	720815239	/nfs/dbraw/zinc/81/52/39/720815239.db2.gz	NYSTWSJEAOCJFR-PLMTUMEDSA-N	1	0	434.504	2.509	20	5		IFBDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)nn3)CC[C@H]2C1	ZINC001164855446	720867471	/nfs/dbraw/zinc/86/74/71/720867471.db2.gz	MOXAURGAPNFJQB-GHTZIAJQSA-N	1	0	427.505	2.534	20	5		IFBDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)CC[C@H]2C1	ZINC001164863613	720884708	/nfs/dbraw/zinc/88/47/08/720884708.db2.gz	SWADUEGDRAARLD-JXFKEZNVSA-N	1	0	447.923	2.879	20	5		IFBDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)CC[C@H]2C1	ZINC001164863616	720884830	/nfs/dbraw/zinc/88/48/30/720884830.db2.gz	SWADUEGDRAARLD-OXJNMPFZSA-N	1	0	447.923	2.879	20	5		IFBDRO
Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-]	ZINC001164755029	720929560	/nfs/dbraw/zinc/92/95/60/720929560.db2.gz	XVUOVVFSAVKZEE-REWPJTCUSA-N	1	0	438.532	2.843	20	5		IFBDRO
Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-]	ZINC001164755023	720929591	/nfs/dbraw/zinc/92/95/91/720929591.db2.gz	XVUOVVFSAVKZEE-NFBKMPQASA-N	1	0	438.532	2.843	20	5		IFBDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])CC2	ZINC001164754713	720970157	/nfs/dbraw/zinc/97/01/57/720970157.db2.gz	UVAWGENKJSERJC-UHFFFAOYSA-N	1	0	444.879	2.639	20	5		IFBDRO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164866274	721067304	/nfs/dbraw/zinc/06/73/04/721067304.db2.gz	DLEQIBDEQZKKJT-OLZOCXBDSA-N	1	0	425.276	2.566	20	5		IFBDRO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1	ZINC001164773159	721083135	/nfs/dbraw/zinc/08/31/35/721083135.db2.gz	WWJNMKVTBHSEPW-GJZGRUSLSA-N	1	0	448.911	2.512	20	5		IFBDRO
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc4ccc5cccnc5c4n3)CC2)C1	ZINC001164869862	721267287	/nfs/dbraw/zinc/26/72/87/721267287.db2.gz	QXEKSEPRFCMAAU-UHFFFAOYSA-N	1	0	433.556	2.790	20	5		IFBDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889695	721450864	/nfs/dbraw/zinc/45/08/64/721450864.db2.gz	PIUMOTMWNBPEAH-NFBKMPQASA-N	1	0	425.533	2.908	20	5		IFBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2	ZINC001164783254	721455195	/nfs/dbraw/zinc/45/51/95/721455195.db2.gz	AUOZFHLVTIHJJL-SFHVURJKSA-N	1	0	449.508	2.632	20	5		IFBDRO
COc1nc(C)c([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1	ZINC001164907407	721704302	/nfs/dbraw/zinc/70/43/02/721704302.db2.gz	RPPMMFGYKVPDLZ-IBGZPJMESA-N	1	0	434.447	2.835	20	5		IFBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1	ZINC001164909689	721738021	/nfs/dbraw/zinc/73/80/21/721738021.db2.gz	CYZJIRACGWQZEF-HXUWFJFHSA-N	1	0	447.442	2.909	20	5		IFBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1	ZINC001165020736	721831767	/nfs/dbraw/zinc/83/17/67/721831767.db2.gz	DNYZQVFLTGGEHI-VDZJLULYSA-N	1	0	425.489	2.908	20	5		IFBDRO
COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1	ZINC001164940522	721925780	/nfs/dbraw/zinc/92/57/80/721925780.db2.gz	SNSLHTCJKZKANH-UHFFFAOYSA-N	1	0	427.505	2.882	20	5		IFBDRO
COC(=O)c1ccnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1[N+](=O)[O-]	ZINC001164941040	721927323	/nfs/dbraw/zinc/92/73/23/721927323.db2.gz	ZKEPYIBDLSMJCF-UHFFFAOYSA-N	1	0	440.500	2.956	20	5		IFBDRO
CCOC(=O)C(C(=O)OCC)c1nc(N2CCC([NH+](CC)CC)CC2)ccc1[N+](=O)[O-]	ZINC001165053605	722007901	/nfs/dbraw/zinc/00/79/01/722007901.db2.gz	ANVZBRRHOXQMRP-UHFFFAOYSA-N	1	0	436.509	2.510	20	5		IFBDRO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164982763	722107909	/nfs/dbraw/zinc/10/79/09/722107909.db2.gz	OVHAEOOBJPWCQK-UONOGXRCSA-N	1	0	439.303	2.814	20	5		IFBDRO
CC(C)Oc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC001164980287	722146583	/nfs/dbraw/zinc/14/65/83/722146583.db2.gz	MNEGFGRQWAFHDF-UYAOXDASSA-N	1	0	427.505	2.899	20	5		IFBDRO
C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CCC2	ZINC001164999562	722253069	/nfs/dbraw/zinc/25/30/69/722253069.db2.gz	BXNIYFXKRHPOQP-UHFFFAOYSA-N	1	0	429.308	2.982	20	5		IFBDRO
O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@@H]4C3)c(Cl)nn2)cc1	ZINC001164391795	718826137	/nfs/dbraw/zinc/82/61/37/718826137.db2.gz	XRAVVVAPDAXPQC-GDBMZVCRSA-N	1	0	425.823	2.817	20	5		IFBDRO
CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])CC2)CC1	ZINC001164614123	719024078	/nfs/dbraw/zinc/02/40/78/719024078.db2.gz	NNZARCYAIIZJPA-UHFFFAOYSA-N	1	0	432.308	2.936	20	5		IFBDRO
COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1	ZINC001164635286	719138323	/nfs/dbraw/zinc/13/83/23/719138323.db2.gz	WVCHFNVGZLWBPW-OAHLLOKOSA-N	1	0	426.807	2.806	20	5		IFBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OC)c([N+](=O)[O-])cc31)C2	ZINC001164812498	720119102	/nfs/dbraw/zinc/11/91/02/720119102.db2.gz	OTQHZVGJCBSKKE-KSFYIVLOSA-N	1	0	427.505	2.731	20	5		IFBDRO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164741096	720679937	/nfs/dbraw/zinc/67/99/37/720679937.db2.gz	SRPDJJLDOLMORR-KBPBESRZSA-N	1	0	426.864	2.928	20	5		IFBDRO
CCc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164740500	720779868	/nfs/dbraw/zinc/77/98/68/720779868.db2.gz	LJXOFGANFSUKPT-WOJBJXKFSA-N	1	0	447.499	2.746	20	5		IFBDRO
O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cnc2c1	ZINC001164737406	720817189	/nfs/dbraw/zinc/81/71/89/720817189.db2.gz	AYBARWRXHHRONP-DJPFJPOOSA-N	1	0	434.504	2.509	20	5		IFBDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC[C@@H]2C1	ZINC001164858236	720889347	/nfs/dbraw/zinc/88/93/47/720889347.db2.gz	KOPZYVOACJJNHP-YLJYHZDGSA-N	1	0	430.480	2.969	20	5		IFBDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC[C@H]2C1	ZINC001164858227	720889744	/nfs/dbraw/zinc/88/97/44/720889744.db2.gz	KOPZYVOACJJNHP-PXNSSMCTSA-N	1	0	430.480	2.969	20	5		IFBDRO
Nc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164749626	720895707	/nfs/dbraw/zinc/89/57/07/720895707.db2.gz	ALXGSUNKFKBSJW-CVDCTZTESA-N	1	0	438.532	2.722	20	5		IFBDRO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164866276	721067392	/nfs/dbraw/zinc/06/73/92/721067392.db2.gz	DLEQIBDEQZKKJT-STQMWFEESA-N	1	0	425.276	2.566	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@@H]3C2)cn1	ZINC001164769304	721077845	/nfs/dbraw/zinc/07/78/45/721077845.db2.gz	OLFXHAGFPOPKDC-KGLIPLIRSA-N	1	0	426.855	2.880	20	5		IFBDRO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164773161	721083071	/nfs/dbraw/zinc/08/30/71/721083071.db2.gz	WWJNMKVTBHSEPW-HUUCEWRRSA-N	1	0	448.911	2.512	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@H]3C2)cn1	ZINC001164761692	721107178	/nfs/dbraw/zinc/10/71/78/721107178.db2.gz	AHFPKGLOBBHTNP-UONOGXRCSA-N	1	0	426.855	2.880	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C[C@@H]3C2)cn1	ZINC001164769701	721245503	/nfs/dbraw/zinc/24/55/03/721245503.db2.gz	ZFLOPXAEFGKLAN-CABCVRRESA-N	1	0	427.896	2.883	20	5		IFBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1	ZINC001165025825	721802857	/nfs/dbraw/zinc/80/28/57/721802857.db2.gz	PIHSQHFSYZYMQS-CWFSZBLJSA-N	1	0	425.489	2.908	20	5		IFBDRO
CCOc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)ccc1[N+](=O)[O-]	ZINC001164962329	722058420	/nfs/dbraw/zinc/05/84/20/722058420.db2.gz	QYLBZMLPUVLTKD-UHFFFAOYSA-N	1	0	427.505	2.903	20	5		IFBDRO
CN(C)/C=C\c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001164977001	722138222	/nfs/dbraw/zinc/13/82/22/722138222.db2.gz	HNGNKOSSCYROJR-DPFFDBEASA-N	1	0	438.532	2.644	20	5		IFBDRO
C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CCC2	ZINC001164999537	722251836	/nfs/dbraw/zinc/25/18/36/722251836.db2.gz	AQGSUASLSWJAPF-UHFFFAOYSA-N	1	0	429.308	2.982	20	5		IFBDRO
COC(=O)c1nc(Cl)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-]	ZINC001164627273	719064391	/nfs/dbraw/zinc/06/43/91/719064391.db2.gz	QFXBAYHGZCLHEM-HUUCEWRRSA-N	1	0	431.880	2.926	20	5		IFBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2	ZINC001164719501	720107724	/nfs/dbraw/zinc/10/77/24/720107724.db2.gz	XNYUZWHHLJTZAN-SFHVURJKSA-N	1	0	442.476	2.801	20	5		IFBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC)c([N+](=O)[O-])cn1)CC2	ZINC001164714895	720111774	/nfs/dbraw/zinc/11/17/74/720111774.db2.gz	DPHBRZIJPKGAOG-GOSISDBHSA-N	1	0	427.505	2.901	20	5		IFBDRO
CC(C)Oc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC001164822397	720344061	/nfs/dbraw/zinc/34/40/61/720344061.db2.gz	DOYIBTUPJQUXCF-QZTJIDSGSA-N	1	0	431.537	2.689	20	5		IFBDRO
CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-]	ZINC001164836157	720634056	/nfs/dbraw/zinc/63/40/56/720634056.db2.gz	DWPWNKVINCSDIP-YQVWRLOYSA-N	1	0	442.520	2.741	20	5		IFBDRO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164741099	720678128	/nfs/dbraw/zinc/67/81/28/720678128.db2.gz	SRPDJJLDOLMORR-UONOGXRCSA-N	1	0	426.864	2.928	20	5		IFBDRO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164741100	720678266	/nfs/dbraw/zinc/67/82/66/720678266.db2.gz	SRPDJJLDOLMORR-ZIAGYGMSSA-N	1	0	426.864	2.928	20	5		IFBDRO
O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cnc2c1	ZINC001164737409	720817464	/nfs/dbraw/zinc/81/74/64/720817464.db2.gz	AYBARWRXHHRONP-YRISNDGFSA-N	1	0	434.504	2.509	20	5		IFBDRO
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164745609	720825192	/nfs/dbraw/zinc/82/51/92/720825192.db2.gz	XEGSRDNGMPGABG-YRISNDGFSA-N	1	0	434.504	2.509	20	5		IFBDRO
O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c21	ZINC001164744880	720855958	/nfs/dbraw/zinc/85/59/58/720855958.db2.gz	CQLAPYMQLDPODK-ZHALLVOQSA-N	1	0	434.504	2.509	20	5		IFBDRO
Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-]	ZINC001164755027	720929373	/nfs/dbraw/zinc/92/93/73/720929373.db2.gz	XVUOVVFSAVKZEE-OFNKIYASSA-N	1	0	438.532	2.843	20	5		IFBDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2	ZINC001164754187	720963742	/nfs/dbraw/zinc/96/37/42/720963742.db2.gz	OPWVSFSUBCJFAT-UHFFFAOYSA-N	1	0	444.879	2.639	20	5		IFBDRO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164866034	721056288	/nfs/dbraw/zinc/05/62/88/721056288.db2.gz	BUTZGGUNYYTTMQ-UONOGXRCSA-N	1	0	436.925	2.635	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1	ZINC001164762286	721101910	/nfs/dbraw/zinc/10/19/10/721101910.db2.gz	DUAHCOOUUXENRG-CABCVRRESA-N	1	0	427.896	2.883	20	5		IFBDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc5c(cccc5[N+](=O)[O-])n4)C3)O2)CC1	ZINC001164890388	721408152	/nfs/dbraw/zinc/40/81/52/721408152.db2.gz	SLGKCKPRQHYLJD-FDDCHVKYSA-N	1	0	425.533	2.908	20	5		IFBDRO
CC(C)Oc1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ccc1[N+](=O)[O-]	ZINC001164888870	721439967	/nfs/dbraw/zinc/43/99/67/721439967.db2.gz	BCURMLCFNNYFDK-AVRDEDQJSA-N	1	0	433.553	2.542	20	5		IFBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ncc1[N+](=O)[O-])CC2	ZINC001164785981	721450697	/nfs/dbraw/zinc/45/06/97/721450697.db2.gz	KWMBTEGSELRNNM-MRXNPFEDSA-N	1	0	439.944	2.772	20	5		IFBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1	ZINC001165025826	721802810	/nfs/dbraw/zinc/80/28/10/721802810.db2.gz	PIHSQHFSYZYMQS-RYGJVYDSSA-N	1	0	425.489	2.908	20	5		IFBDRO
Cc1nc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1[N+](=O)[O-]	ZINC001164960537	722052445	/nfs/dbraw/zinc/05/24/45/722052445.db2.gz	RPSXHHWPDPQWOX-UHFFFAOYSA-N	1	0	432.912	2.861	20	5		IFBDRO
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c(Cl)nn2)c1	ZINC001164391638	718826069	/nfs/dbraw/zinc/82/60/69/718826069.db2.gz	WBDYYKPWKGKINT-HOCLYGCPSA-N	1	0	425.823	2.817	20	5		IFBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])C2	ZINC001164811085	720125092	/nfs/dbraw/zinc/12/50/92/720125092.db2.gz	LHKSPDFFZVVZOZ-ACJLOTCBSA-N	1	0	427.958	2.945	20	5		IFBDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1	ZINC001164819123	720306982	/nfs/dbraw/zinc/30/69/82/720306982.db2.gz	CFCHGUXNGWGMFF-OLZOCXBDSA-N	1	0	443.335	2.603	20	5		IFBDRO
COc1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(OC)c1[N+](=O)[O-]	ZINC001164839677	720690198	/nfs/dbraw/zinc/69/01/98/720690198.db2.gz	BFHLFWXCLHTLHE-QGZVFWFLSA-N	1	0	443.504	2.662	20	5		IFBDRO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)ccc21	ZINC001164736845	720715813	/nfs/dbraw/zinc/71/58/13/720715813.db2.gz	BPLCKEXLZLRUDG-KBPBESRZSA-N	1	0	426.864	2.928	20	5		IFBDRO
O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2c1	ZINC001164747395	720815288	/nfs/dbraw/zinc/81/52/88/720815288.db2.gz	NYSTWSJEAOCJFR-HGHGUNKESA-N	1	0	434.504	2.509	20	5		IFBDRO
Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1	ZINC001164738823	720822775	/nfs/dbraw/zinc/82/27/75/720822775.db2.gz	GVPMBVGVSREGLW-LZLYRXPVSA-N	1	0	431.928	2.923	20	5		IFBDRO
CCc1cc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164865223	720881203	/nfs/dbraw/zinc/88/12/03/720881203.db2.gz	YYCCOPWSZOTXOV-GHTZIAJQSA-N	1	0	441.532	2.788	20	5		IFBDRO
Cc1ncc([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1	ZINC001164755675	720885432	/nfs/dbraw/zinc/88/54/32/720885432.db2.gz	MMEIAASAIAWYOY-NFBKMPQASA-N	1	0	438.532	2.843	20	5		IFBDRO
Nc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164749638	720895680	/nfs/dbraw/zinc/89/56/80/720895680.db2.gz	ALXGSUNKFKBSJW-XXBNENTESA-N	1	0	438.532	2.722	20	5		IFBDRO
Nc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1	ZINC001164752385	720906573	/nfs/dbraw/zinc/90/65/73/720906573.db2.gz	OBKJEWJNXZNBEM-XXBNENTESA-N	1	0	438.532	2.722	20	5		IFBDRO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164866275	721067606	/nfs/dbraw/zinc/06/76/06/721067606.db2.gz	DLEQIBDEQZKKJT-QWHCGFSZSA-N	1	0	425.276	2.566	20	5		IFBDRO
CSc1nc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164863865	721097592	/nfs/dbraw/zinc/09/75/92/721097592.db2.gz	DHVCAEDOYOJIQG-ZIAGYGMSSA-N	1	0	436.925	2.635	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164768484	721204062	/nfs/dbraw/zinc/20/40/62/721204062.db2.gz	LEPWTJQBUIIJKV-NWDGAFQWSA-N	1	0	445.833	2.749	20	5		IFBDRO
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C[C@H]3C2)cn1	ZINC001164769704	721244978	/nfs/dbraw/zinc/24/49/78/721244978.db2.gz	ZFLOPXAEFGKLAN-HUUCEWRRSA-N	1	0	427.896	2.883	20	5		IFBDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164888239	721401211	/nfs/dbraw/zinc/40/12/11/721401211.db2.gz	NRHVFKUVMQYLLK-REWPJTCUSA-N	1	0	425.533	2.908	20	5		IFBDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ncc1[N+](=O)[O-])CC2	ZINC001164785980	721450850	/nfs/dbraw/zinc/45/08/50/721450850.db2.gz	KWMBTEGSELRNNM-INIZCTEOSA-N	1	0	439.944	2.772	20	5		IFBDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889697	721451237	/nfs/dbraw/zinc/45/12/37/721451237.db2.gz	PIUMOTMWNBPEAH-OFNKIYASSA-N	1	0	425.533	2.908	20	5		IFBDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC)c([N+](=O)[O-])cn1)CC2	ZINC001164784767	721457939	/nfs/dbraw/zinc/45/79/39/721457939.db2.gz	KBWZOLNJRQMYAQ-GOSISDBHSA-N	1	0	434.537	2.732	20	5		IFBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164910207	721544292	/nfs/dbraw/zinc/54/42/92/721544292.db2.gz	SVXUNAFIZAJMSP-FUHWJXTLSA-N	1	0	430.436	2.648	20	5		IFBDRO
COC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-]	ZINC001164904137	721709275	/nfs/dbraw/zinc/70/92/75/721709275.db2.gz	ADSVDXHEUIASEX-HXUWFJFHSA-N	1	0	447.442	2.909	20	5		IFBDRO
COC(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-]	ZINC001165023487	721815214	/nfs/dbraw/zinc/81/52/14/721815214.db2.gz	HEKXYQVTRZSBDS-IPELMVKDSA-N	1	0	425.489	2.908	20	5		IFBDRO
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(OC)nc(C)c2[N+](=O)[O-])CC1	ZINC001165021322	721841310	/nfs/dbraw/zinc/84/13/10/721841310.db2.gz	LMCFQOICSWERJQ-UHFFFAOYSA-N	1	0	431.493	2.820	20	5		IFBDRO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2	ZINC001164940353	721922041	/nfs/dbraw/zinc/92/20/41/721922041.db2.gz	ZLAQKCOELJZXOP-UHFFFAOYSA-N	1	0	440.500	2.956	20	5		IFBDRO
CCOC(=O)C1CC[NH+](C2CCN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)CC2)CC1	ZINC001164616437	719031428	/nfs/dbraw/zinc/03/14/28/719031428.db2.gz	BXGVKEPTMDFBKQ-YHYXMXQVSA-N	1	0	431.537	2.766	20	5		IFBDRO
CC(C)N(C)Cc1nn(-c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])c2c1CC[NH2+]C2	ZINC001164679545	719641969	/nfs/dbraw/zinc/64/19/69/719641969.db2.gz	GBHVUPWMILITRH-UHFFFAOYSA-N	1	0	433.822	2.729	20	5		IFBDRO
CC(C)N(C)Cc1nn(-c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)c2c1CC[NH2+]C2	ZINC001164680594	719648143	/nfs/dbraw/zinc/64/81/43/719648143.db2.gz	XOFBGEILEVVRLM-UHFFFAOYSA-N	1	0	425.468	2.863	20	5		IFBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(OC)c([N+](=O)[O-])cn1)CC2	ZINC001164714896	720112092	/nfs/dbraw/zinc/11/20/92/720112092.db2.gz	DPHBRZIJPKGAOG-SFHVURJKSA-N	1	0	427.505	2.901	20	5		IFBDRO
COc1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(OC)c1[N+](=O)[O-]	ZINC001164839672	720690855	/nfs/dbraw/zinc/69/08/55/720690855.db2.gz	BFHLFWXCLHTLHE-KRWDZBQOSA-N	1	0	443.504	2.662	20	5		IFBDRO
Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1Cl	ZINC001164743812	720822128	/nfs/dbraw/zinc/82/21/28/720822128.db2.gz	SMUDLVIBNWVECS-YESZJQIVSA-N	1	0	431.928	2.923	20	5		IFBDRO
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164745608	720824989	/nfs/dbraw/zinc/82/49/89/720824989.db2.gz	XEGSRDNGMPGABG-PLMTUMEDSA-N	1	0	434.504	2.509	20	5		IFBDRO
CC(C)Oc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-]	ZINC001164739993	720851161	/nfs/dbraw/zinc/85/11/61/720851161.db2.gz	BJZFSRGUAMCIBD-IPMKNSEASA-N	1	0	441.536	2.748	20	5		IFBDRO
CCc1cc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164865229	720881214	/nfs/dbraw/zinc/88/12/14/720881214.db2.gz	YYCCOPWSZOTXOV-WIYYLYMNSA-N	1	0	441.532	2.788	20	5		IFBDRO
Nc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164749621	720895701	/nfs/dbraw/zinc/89/57/01/720895701.db2.gz	ALXGSUNKFKBSJW-AUSIDOKSSA-N	1	0	438.532	2.722	20	5		IFBDRO
C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CC2	ZINC001164752424	720953081	/nfs/dbraw/zinc/95/30/81/720953081.db2.gz	ZMWRVAPSJGMQSF-UHFFFAOYSA-N	1	0	444.879	2.639	20	5		IFBDRO
CSc1nc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164863844	721097459	/nfs/dbraw/zinc/09/74/59/721097459.db2.gz	DHVCAEDOYOJIQG-KGLIPLIRSA-N	1	0	436.925	2.635	20	5		IFBDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc5cccc([N+](=O)[O-])c5n4)C3)O2)CC1	ZINC001164892966	721406742	/nfs/dbraw/zinc/40/67/42/721406742.db2.gz	ZOYUREJDJNIVKN-WMZHIEFXSA-N	1	0	425.533	2.908	20	5		IFBDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc5cccc([N+](=O)[O-])c5n4)C3)O2)CC1	ZINC001164892964	721407026	/nfs/dbraw/zinc/40/70/26/721407026.db2.gz	ZOYUREJDJNIVKN-AUSIDOKSSA-N	1	0	425.533	2.908	20	5		IFBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164910204	721543924	/nfs/dbraw/zinc/54/39/24/721543924.db2.gz	SVXUNAFIZAJMSP-AEFFLSMTSA-N	1	0	430.436	2.648	20	5		IFBDRO
COC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1	ZINC001164908412	721696833	/nfs/dbraw/zinc/69/68/33/721696833.db2.gz	YZHSKUYCZRYVJU-HXUWFJFHSA-N	1	0	447.442	2.909	20	5		IFBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1	ZINC001165020733	721831893	/nfs/dbraw/zinc/83/18/93/721831893.db2.gz	DNYZQVFLTGGEHI-KVSKMBFKSA-N	1	0	425.489	2.908	20	5		IFBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1	ZINC001164945221	721933541	/nfs/dbraw/zinc/93/35/41/721933541.db2.gz	VFZRYNIHWIKNIF-UHFFFAOYSA-N	1	0	440.500	2.956	20	5		IFBDRO