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-])c1cccc2ncnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c21	ZINC001164706279	719902783	/nfs/dbraw/zinc/90/27/83/719902783.db2.gz	GXIYRFUHRGONFA-UHFFFAOYSA-N	0	1	425.514	3.471	20	5		IGBDMN
O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1	ZINC001164971930	722114088	/nfs/dbraw/zinc/11/40/88/722114088.db2.gz	DTWOLPLZZAUVEN-GDBMZVCRSA-N	0	1	438.315	3.419	20	5		IGBDMN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCc3ncc(CN4CCCC4)n3CC2)c1	ZINC001164733753	720559566	/nfs/dbraw/zinc/55/95/66/720559566.db2.gz	RIWCZIDLWSDYBK-UHFFFAOYSA-N	0	1	426.855	3.043	20	5		IGBDMN
COc1cc2ncnc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c2cc1[N+](=O)[O-]	ZINC001164860069	720964316	/nfs/dbraw/zinc/96/43/16/720964316.db2.gz	POGCCUBHBXZOMS-CQSZACIVSA-N	0	1	425.493	3.165	20	5		IGBDMN
COC(=O)c1cnc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c([N+](=O)[O-])c1	ZINC001164693856	719806557	/nfs/dbraw/zinc/80/65/57/719806557.db2.gz	RUGZQWAFXXYJJJ-UHFFFAOYSA-N	0	1	431.518	3.176	20	5		IGBDMN
O=[N+]([O-])c1ccc2ncnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c2c1	ZINC001164695310	719891522	/nfs/dbraw/zinc/89/15/22/719891522.db2.gz	MWHWZPOPWDMRRH-UHFFFAOYSA-N	0	1	425.514	3.471	20	5		IGBDMN
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC2(CC1)CN(Cc1cccs1)CCO2	ZINC001164695676	719891606	/nfs/dbraw/zinc/89/16/06/719891606.db2.gz	QOBUMJSZNDCXNZ-UHFFFAOYSA-N	0	1	425.514	3.471	20	5		IGBDMN
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1	ZINC001164725286	720340622	/nfs/dbraw/zinc/34/06/22/720340622.db2.gz	NIRXBFFDTLWWCF-JKSUJKDBSA-N	0	1	431.880	3.068	20	5		IGBDMN
O=[N+]([O-])c1ccc(C(F)(F)N2CCc3ncc(CN4CCCC4)n3CC2)nc1Cl	ZINC001164733300	720555990	/nfs/dbraw/zinc/55/59/90/720555990.db2.gz	KWEOWEULZZTPKJ-UHFFFAOYSA-N	0	1	426.855	3.043	20	5		IGBDMN
CCc1cc(N2CCc3ncc(CN4CCCC4)n3CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164736331	720586733	/nfs/dbraw/zinc/58/67/33/720586733.db2.gz	IXJVZETYJUUBLP-UHFFFAOYSA-N	0	1	447.543	3.469	20	5		IGBDMN
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1	ZINC001164725284	720340892	/nfs/dbraw/zinc/34/08/92/720340892.db2.gz	NIRXBFFDTLWWCF-HZPDHXFCSA-N	0	1	431.880	3.068	20	5		IGBDMN
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCc4ncc(CN5CCCC5)n4CC3)c2c1	ZINC001164733404	720557107	/nfs/dbraw/zinc/55/71/07/720557107.db2.gz	MVPGSXOSEKYLSP-UHFFFAOYSA-N	0	1	427.896	3.046	20	5		IGBDMN
O=[N+]([O-])c1ccc(C(F)(F)N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1Cl	ZINC001164869487	721064546	/nfs/dbraw/zinc/06/45/46/721064546.db2.gz	SYBLVLHUZDVKLH-LSDHHAIUSA-N	0	1	439.850	3.063	20	5		IGBDMN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1	ZINC001164869482	721072777	/nfs/dbraw/zinc/07/27/77/721072777.db2.gz	SXNRWIGLHHAPNP-HZPDHXFCSA-N	0	1	439.850	3.063	20	5		IGBDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164887689	721407885	/nfs/dbraw/zinc/40/78/85/721407885.db2.gz	MFRLZURXEVFUKW-LIRRHRJNSA-N	0	1	444.363	3.062	20	5		IGBDMN
CSc1nc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164911463	721538139	/nfs/dbraw/zinc/53/81/39/721538139.db2.gz	WTDRGOPJOGLWSZ-JSGCOSHPSA-N	0	1	439.900	3.241	20	5		IGBDMN
COC(=O)c1ccnc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c1[N+](=O)[O-]	ZINC001164692033	719809806	/nfs/dbraw/zinc/80/98/06/719809806.db2.gz	FFULLOBFJHVGHE-UHFFFAOYSA-N	0	1	431.518	3.176	20	5		IGBDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C3)O2)CC1	ZINC001164894452	721397769	/nfs/dbraw/zinc/39/77/69/721397769.db2.gz	YDTJTFWGPSACGV-KUHUBIRLSA-N	0	1	444.363	3.062	20	5		IGBDMN
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164898068	721522698	/nfs/dbraw/zinc/52/26/98/721522698.db2.gz	HPLQNMPTDHGGBZ-YPMHNXCESA-N	0	1	428.251	3.173	20	5		IGBDMN
Cc1nc(Cl)nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1[N+](=O)[O-]	ZINC001164905079	721584089	/nfs/dbraw/zinc/58/40/89/721584089.db2.gz	RZJPEBFXLIJTLV-SFHVURJKSA-N	0	1	438.866	3.479	20	5		IGBDMN
COc1cc(C)nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1[N+](=O)[O-]	ZINC001164904098	721701715	/nfs/dbraw/zinc/70/17/15/721701715.db2.gz	CYPNALVUDYARKV-HXUWFJFHSA-N	0	1	433.459	3.440	20	5		IGBDMN
Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1	ZINC001164964901	722054821	/nfs/dbraw/zinc/05/48/21/722054821.db2.gz	ZHCPGQCLQFGXSV-UHFFFAOYSA-N	0	1	431.924	3.466	20	5		IGBDMN
O=[N+]([O-])c1cc(C(F)(F)N2CCc3ncc(CN4CCCC4)n3CC2)cnc1Cl	ZINC001164734168	720551476	/nfs/dbraw/zinc/55/14/76/720551476.db2.gz	XEGFPHYXLWRPBU-UHFFFAOYSA-N	0	1	426.855	3.043	20	5		IGBDMN
Cc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc2ccc([N+](=O)[O-])cc12	ZINC001164886691	721395847	/nfs/dbraw/zinc/39/58/47/721395847.db2.gz	FLPSVCXZRCPWBW-HYBUGGRVSA-N	0	1	439.560	3.217	20	5		IGBDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164887687	721408172	/nfs/dbraw/zinc/40/81/72/721408172.db2.gz	MFRLZURXEVFUKW-IFXJQAMLSA-N	0	1	444.363	3.062	20	5		IGBDMN
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1	ZINC001164900498	721516287	/nfs/dbraw/zinc/51/62/87/721516287.db2.gz	RLLQAWOBNGTZAX-JSGCOSHPSA-N	0	1	439.900	3.241	20	5		IGBDMN
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164898055	721522876	/nfs/dbraw/zinc/52/28/76/721522876.db2.gz	HPLQNMPTDHGGBZ-AAEUAGOBSA-N	0	1	428.251	3.173	20	5		IGBDMN
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164898064	721523135	/nfs/dbraw/zinc/52/31/35/721523135.db2.gz	HPLQNMPTDHGGBZ-DGCLKSJQSA-N	0	1	428.251	3.173	20	5		IGBDMN
O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1	ZINC001164986440	722107985	/nfs/dbraw/zinc/10/79/85/722107985.db2.gz	ZAVHUFCFMCNJQV-YOEHRIQHSA-N	0	1	438.315	3.419	20	5		IGBDMN
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCc3ncc(CN4CCCC4)n3CC2)c1	ZINC001164740222	720596839	/nfs/dbraw/zinc/59/68/39/720596839.db2.gz	HVJIFHOCNFQPKO-UHFFFAOYSA-N	0	1	427.896	3.046	20	5		IGBDMN
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164898066	721522589	/nfs/dbraw/zinc/52/25/89/721522589.db2.gz	HPLQNMPTDHGGBZ-WCQYABFASA-N	0	1	428.251	3.173	20	5		IGBDMN
O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1	ZINC001164906600	721708395	/nfs/dbraw/zinc/70/83/95/721708395.db2.gz	NCYHKPWKFDZCFQ-SFHVURJKSA-N	0	1	439.850	3.014	20	5		IGBDMN
O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1	ZINC001164971931	722113546	/nfs/dbraw/zinc/11/35/46/722113546.db2.gz	DTWOLPLZZAUVEN-GOEBONIOSA-N	0	1	438.315	3.419	20	5		IGBDMN
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCc2ncc(CN3CCCC3)n2CC1	ZINC001164734329	720557115	/nfs/dbraw/zinc/55/71/15/720557115.db2.gz	ZDJDIFPPGOJRIZ-UHFFFAOYSA-N	0	1	427.896	3.046	20	5		IGBDMN
Cc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc2ccc([N+](=O)[O-])cc12	ZINC001164886693	721395176	/nfs/dbraw/zinc/39/51/76/721395176.db2.gz	FLPSVCXZRCPWBW-RDPSFJRHSA-N	0	1	439.560	3.217	20	5		IGBDMN
O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1	ZINC001164906598	721706561	/nfs/dbraw/zinc/70/65/61/721706561.db2.gz	NCYHKPWKFDZCFQ-GOSISDBHSA-N	0	1	439.850	3.014	20	5		IGBDMN
O=[N+]([O-])c1cc(C(F)(F)N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl	ZINC001164866554	721048950	/nfs/dbraw/zinc/04/89/50/721048950.db2.gz	FITBHFNTJMUUPT-CVEARBPZSA-N	0	1	439.850	3.063	20	5		IGBDMN
O=[N+]([O-])c1ccc(C(F)(F)N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl	ZINC001164869486	721065474	/nfs/dbraw/zinc/06/54/74/721065474.db2.gz	SYBLVLHUZDVKLH-HUUCEWRRSA-N	0	1	439.850	3.063	20	5		IGBDMN
COc1cc(C)nc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)c1[N+](=O)[O-]	ZINC001164939789	721925112	/nfs/dbraw/zinc/92/51/12/721925112.db2.gz	NCQBIVFFULMUSB-UHFFFAOYSA-N	0	1	426.517	3.487	20	5		IGBDMN
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CCCN3Cc3csc(C)n3)CC2)n1	ZINC001164701027	719817051	/nfs/dbraw/zinc/81/70/51/719817051.db2.gz	NROMJORIYRAKSE-UHFFFAOYSA-N	0	1	431.518	3.176	20	5		IGBDMN
CSc1nc(Cl)nc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-]	ZINC001164859041	720970544	/nfs/dbraw/zinc/97/05/44/720970544.db2.gz	KOIFCPXZEIJJLQ-LLVKDONJSA-N	0	1	425.946	3.378	20	5		IGBDMN
O=[N+]([O-])c1ccc(C(F)(F)N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl	ZINC001164869484	721064286	/nfs/dbraw/zinc/06/42/86/721064286.db2.gz	SYBLVLHUZDVKLH-CABCVRRESA-N	0	1	439.850	3.063	20	5		IGBDMN
CN(C)C(=O)CN1CCC2(CCCN2c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC1	ZINC001165013090	721750141	/nfs/dbraw/zinc/75/01/41/721750141.db2.gz	UCKCLYYMVDDBBH-UHFFFAOYSA-N	0	1	431.924	3.319	20	5		IGBDMN
O=[N+]([O-])c1ccc2ncnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2c1	ZINC001164964882	722055160	/nfs/dbraw/zinc/05/51/60/722055160.db2.gz	YZQQYCOJULSXAE-UHFFFAOYSA-N	0	1	434.500	3.052	20	5		IGBDMN
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1	ZINC001164725280	720341297	/nfs/dbraw/zinc/34/12/97/720341297.db2.gz	NIRXBFFDTLWWCF-CVEARBPZSA-N	0	1	431.880	3.068	20	5		IGBDMN
O=[N+]([O-])c1ccc(C(F)(F)N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1Cl	ZINC001164869485	721065089	/nfs/dbraw/zinc/06/50/89/721065089.db2.gz	SYBLVLHUZDVKLH-GJZGRUSLSA-N	0	1	439.850	3.063	20	5		IGBDMN
Cc1ccc(-c2ccc(N3CCc4ncc(CN5CCCC5)n4CC3)nn2)cc1[N+](=O)[O-]	ZINC001164736162	720574004	/nfs/dbraw/zinc/57/40/04/720574004.db2.gz	FQDGDQOZFQFMMG-UHFFFAOYSA-N	0	1	433.516	3.215	20	5		IGBDMN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC001164869483	721072196	/nfs/dbraw/zinc/07/21/96/721072196.db2.gz	SXNRWIGLHHAPNP-JKSUJKDBSA-N	0	1	439.850	3.063	20	5		IGBDMN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1	ZINC001164869479	721072377	/nfs/dbraw/zinc/07/23/77/721072377.db2.gz	SXNRWIGLHHAPNP-CVEARBPZSA-N	0	1	439.850	3.063	20	5		IGBDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164887686	721407615	/nfs/dbraw/zinc/40/76/15/721407615.db2.gz	MFRLZURXEVFUKW-AUUYWEPGSA-N	0	1	444.363	3.062	20	5		IGBDMN
CSc1nc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164911461	721538386	/nfs/dbraw/zinc/53/83/86/721538386.db2.gz	WTDRGOPJOGLWSZ-GXTWGEPZSA-N	0	1	439.900	3.241	20	5		IGBDMN
O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1	ZINC001164903562	721695240	/nfs/dbraw/zinc/69/52/40/721695240.db2.gz	ACMNCFFUBILCMD-SFHVURJKSA-N	0	1	434.403	3.031	20	5		IGBDMN
O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1	ZINC001164986434	722108042	/nfs/dbraw/zinc/10/80/42/722108042.db2.gz	ZAVHUFCFMCNJQV-PBHICJAKSA-N	0	1	438.315	3.419	20	5		IGBDMN
O=[N+]([O-])c1ccc2nc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)cnc2c1	ZINC001164695697	719888546	/nfs/dbraw/zinc/88/85/46/719888546.db2.gz	RJVAYRKDAULQJI-UHFFFAOYSA-N	0	1	425.514	3.471	20	5		IGBDMN
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1	ZINC001164725282	720340118	/nfs/dbraw/zinc/34/01/18/720340118.db2.gz	NIRXBFFDTLWWCF-HOTGVXAUSA-N	0	1	431.880	3.068	20	5		IGBDMN
CSc1nc(Cl)nc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-]	ZINC001164859043	720969142	/nfs/dbraw/zinc/96/91/42/720969142.db2.gz	KOIFCPXZEIJJLQ-NSHDSACASA-N	0	1	425.946	3.378	20	5		IGBDMN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C3)O2)CC1	ZINC001164894454	721397430	/nfs/dbraw/zinc/39/74/30/721397430.db2.gz	YDTJTFWGPSACGV-LIRRHRJNSA-N	0	1	444.363	3.062	20	5		IGBDMN
O=[N+]([O-])c1cccc2ncnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c21	ZINC001164966272	722061228	/nfs/dbraw/zinc/06/12/28/722061228.db2.gz	PNZHZHKQJIBTRV-UHFFFAOYSA-N	0	1	434.500	3.052	20	5		IGBDMN
O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1	ZINC001164906035	721713001	/nfs/dbraw/zinc/71/30/01/721713001.db2.gz	JLHNPVQTDQDHKQ-GOSISDBHSA-N	0	1	439.850	3.014	20	5		IGBDMN
O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1	ZINC001164986437	722107982	/nfs/dbraw/zinc/10/79/82/722107982.db2.gz	ZAVHUFCFMCNJQV-RHSMWYFYSA-N	0	1	438.315	3.419	20	5		IGBDMN
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1	ZINC001164905987	721692255	/nfs/dbraw/zinc/69/22/55/721692255.db2.gz	KOOLVBGKSYVNIF-SFHVURJKSA-N	0	1	438.866	3.479	20	5		IGBDMN
CN(C)C(=O)CN1CCC2(CCCN2c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1	ZINC001165009467	721744892	/nfs/dbraw/zinc/74/48/92/721744892.db2.gz	FHDCWZBRVLBXMR-UHFFFAOYSA-N	0	1	431.924	3.319	20	5		IGBDMN
O=[N+]([O-])c1cc(-c2ccc(N3CCc4ncc(CN5CCCC5)n4CC3)nn2)ccc1F	ZINC001164736927	720591534	/nfs/dbraw/zinc/59/15/34/720591534.db2.gz	VYGSRSGUMSQENX-UHFFFAOYSA-N	0	1	437.479	3.046	20	5		IGBDMN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C3)O2)CC1	ZINC001164894449	721397047	/nfs/dbraw/zinc/39/70/47/721397047.db2.gz	YDTJTFWGPSACGV-IFXJQAMLSA-N	0	1	444.363	3.062	20	5		IGBDMN
CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(Cl)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164887688	721407597	/nfs/dbraw/zinc/40/75/97/721407597.db2.gz	MFRLZURXEVFUKW-KUHUBIRLSA-N	0	1	444.363	3.062	20	5		IGBDMN
CN1CCN(Cc2cn3c(n2)CN(c2ccc4ccc5ccc(Cl)nc5c4n2)CC3)CC1	ZINC001164794021	721514440	/nfs/dbraw/zinc/51/44/40/721514440.db2.gz	BJQHAYDUHBXBMR-UHFFFAOYSA-N	0	1	447.974	3.401	20	5		IGBDMN
CN(C)C(=O)CN1CCC2(CCCN2c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1	ZINC001165013360	721749770	/nfs/dbraw/zinc/74/97/70/721749770.db2.gz	ZLUVWOGZWQSBRI-UHFFFAOYSA-N	0	1	441.507	3.319	20	5		IGBDMN
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1	ZINC001164860398	720931364	/nfs/dbraw/zinc/93/13/64/720931364.db2.gz	QZONWAHEFCMMGA-NSHDSACASA-N	0	1	425.946	3.378	20	5		IGBDMN
Cc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc2ccc([N+](=O)[O-])cc12	ZINC001164886694	721395126	/nfs/dbraw/zinc/39/51/26/721395126.db2.gz	FLPSVCXZRCPWBW-YKSBVNFPSA-N	0	1	439.560	3.217	20	5		IGBDMN
Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc2ccc([N+](=O)[O-])cc12	ZINC001164886684	721395207	/nfs/dbraw/zinc/39/52/07/721395207.db2.gz	FLPSVCXZRCPWBW-GBXCKJPGSA-N	0	1	439.560	3.217	20	5		IGBDMN
Cc1nc(Cl)nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1[N+](=O)[O-]	ZINC001164905071	721584215	/nfs/dbraw/zinc/58/42/15/721584215.db2.gz	RZJPEBFXLIJTLV-GOSISDBHSA-N	0	1	438.866	3.479	20	5		IGBDMN
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(CCCN3Cc3csc(C)n3)CC2)n1	ZINC001164703438	719816203	/nfs/dbraw/zinc/81/62/03/719816203.db2.gz	VKDYNHRVOQBVQO-UHFFFAOYSA-N	0	1	445.549	3.052	20	5		IGBDMN
O=[N+]([O-])c1cc(C(F)(F)N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl	ZINC001164866557	721048780	/nfs/dbraw/zinc/04/87/80/721048780.db2.gz	FITBHFNTJMUUPT-JKSUJKDBSA-N	0	1	439.850	3.063	20	5		IGBDMN
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1	ZINC001164905984	721691974	/nfs/dbraw/zinc/69/19/74/721691974.db2.gz	KOOLVBGKSYVNIF-GOSISDBHSA-N	0	1	438.866	3.479	20	5		IGBDMN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC001164869480	721072486	/nfs/dbraw/zinc/07/24/86/721072486.db2.gz	SXNRWIGLHHAPNP-HOTGVXAUSA-N	0	1	439.850	3.063	20	5		IGBDMN
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1	ZINC001164900499	721515948	/nfs/dbraw/zinc/51/59/48/721515948.db2.gz	RLLQAWOBNGTZAX-OCCSQVGLSA-N	0	1	439.900	3.241	20	5		IGBDMN
CN(C)/C=C/c1cc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)ncc1[N+](=O)[O-]	ZINC001164696174	719897967	/nfs/dbraw/zinc/89/79/67/719897967.db2.gz	AMYDTDRGXFWVBM-VMPITWQZSA-N	0	1	443.573	3.455	20	5		IGBDMN
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1	ZINC001164860396	720932329	/nfs/dbraw/zinc/93/23/29/720932329.db2.gz	QZONWAHEFCMMGA-LLVKDONJSA-N	0	1	425.946	3.378	20	5		IGBDMN
COc1cc2ncnc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c2cc1[N+](=O)[O-]	ZINC001164860066	720964938	/nfs/dbraw/zinc/96/49/38/720964938.db2.gz	POGCCUBHBXZOMS-AWEZNQCLSA-N	0	1	425.493	3.165	20	5		IGBDMN
O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1	ZINC001164906038	721712984	/nfs/dbraw/zinc/71/29/84/721712984.db2.gz	JLHNPVQTDQDHKQ-SFHVURJKSA-N	0	1	439.850	3.014	20	5		IGBDMN
CN(C)C(=O)CN1CCC2(CCCN2c2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC1	ZINC001165010157	721735483	/nfs/dbraw/zinc/73/54/83/721735483.db2.gz	CZDKDBYNWOHKNH-UHFFFAOYSA-N	0	1	431.924	3.319	20	5		IGBDMN
Cc1ccc(CN2CCOC3(CCN(c4cc([N+](=O)[O-])cc(Cl)[n+]4[O-])CC3)C2)cc1	ZINC001164938701	721927931	/nfs/dbraw/zinc/92/79/31/721927931.db2.gz	FAMVPSOHZACQDF-UHFFFAOYSA-N	0	1	432.908	3.061	20	5		IGBDMN
O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1	ZINC001164971933	722113861	/nfs/dbraw/zinc/11/38/61/722113861.db2.gz	DTWOLPLZZAUVEN-ZBFHGGJFSA-N	0	1	438.315	3.419	20	5		IGBDMN
CN(C)/C=C\c1cc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)ncc1[N+](=O)[O-]	ZINC001164696175	719897645	/nfs/dbraw/zinc/89/76/45/719897645.db2.gz	AMYDTDRGXFWVBM-YVMONPNESA-N	0	1	443.573	3.455	20	5		IGBDMN
CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)c(Cl)cc4[N+](=O)[O-])C3)O2)CC1	ZINC001164894447	721397485	/nfs/dbraw/zinc/39/74/85/721397485.db2.gz	YDTJTFWGPSACGV-AUUYWEPGSA-N	0	1	444.363	3.062	20	5		IGBDMN
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1	ZINC001164900497	721516206	/nfs/dbraw/zinc/51/62/06/721516206.db2.gz	RLLQAWOBNGTZAX-GXTWGEPZSA-N	0	1	439.900	3.241	20	5		IGBDMN
CC(C)Oc1nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)ccc1[N+](=O)[O-]	ZINC001164959986	722060284	/nfs/dbraw/zinc/06/02/84/722060284.db2.gz	BOMIBUDPFWGPRS-UHFFFAOYSA-N	0	1	441.532	3.291	20	5		IGBDMN
O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1	ZINC001164971932	722113295	/nfs/dbraw/zinc/11/32/95/722113295.db2.gz	DTWOLPLZZAUVEN-HOCLYGCPSA-N	0	1	438.315	3.419	20	5		IGBDMN
O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1	ZINC001164903559	721695508	/nfs/dbraw/zinc/69/55/08/721695508.db2.gz	ACMNCFFUBILCMD-GOSISDBHSA-N	0	1	434.403	3.031	20	5		IGBDMN
Cc1cc(Cl)nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1[N+](=O)[O-]	ZINC001164962520	722054493	/nfs/dbraw/zinc/05/44/93/722054493.db2.gz	FCERJEIGKUBDQJ-UHFFFAOYSA-N	0	1	431.924	3.466	20	5		IGBDMN
O=[N+]([O-])c1cc(C(F)(F)N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl	ZINC001164866556	721049215	/nfs/dbraw/zinc/04/92/15/721049215.db2.gz	FITBHFNTJMUUPT-HZPDHXFCSA-N	0	1	439.850	3.063	20	5		IGBDMN
COc1cc(C)nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1[N+](=O)[O-]	ZINC001164904095	721701755	/nfs/dbraw/zinc/70/17/55/721701755.db2.gz	CYPNALVUDYARKV-FQEVSTJZSA-N	0	1	433.459	3.440	20	5		IGBDMN
CSc1nc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164911469	721538151	/nfs/dbraw/zinc/53/81/51/721538151.db2.gz	WTDRGOPJOGLWSZ-TZMCWYRMSA-N	0	1	439.900	3.241	20	5		IGBDMN
COc1cccc(OC)c1CN1CCC(N(C)c2nc(C)cc(OC)c2[N+](=O)[O-])CC1	ZINC001165020385	721840416	/nfs/dbraw/zinc/84/04/16/721840416.db2.gz	IRDPZCXCVYHONC-UHFFFAOYSA-N	0	1	430.505	3.425	20	5		IGBDMN
Cc1ccc(CN2CCOC3(CCN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])CC3)C2)cc1	ZINC001164941056	721926556	/nfs/dbraw/zinc/92/65/56/721926556.db2.gz	ZYPLTWPWXLLIGI-UHFFFAOYSA-N	0	1	432.908	3.061	20	5		IGBDMN
O=[N+]([O-])c1ccc2nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)cnc2c1	ZINC001164959624	722054172	/nfs/dbraw/zinc/05/41/72/722054172.db2.gz	NFPPPVKAGCLFFB-UHFFFAOYSA-N	0	1	434.500	3.052	20	5		IGBDMN
O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1	ZINC001164986438	722107946	/nfs/dbraw/zinc/10/79/46/722107946.db2.gz	ZAVHUFCFMCNJQV-WMLDXEAASA-N	0	1	438.315	3.419	20	5		IGBDMN
O=[N+]([O-])c1cc(C(F)(F)N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl	ZINC001164866555	721049429	/nfs/dbraw/zinc/04/94/29/721049429.db2.gz	FITBHFNTJMUUPT-HOTGVXAUSA-N	0	1	439.850	3.063	20	5		IGBDMN
CSc1nc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164911467	721537947	/nfs/dbraw/zinc/53/79/47/721537947.db2.gz	WTDRGOPJOGLWSZ-OCCSQVGLSA-N	0	1	439.900	3.241	20	5		IGBDMN
Cc1ccc(CN2CCOC3(CCN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])CC3)C2)cc1	ZINC001164939757	721924000	/nfs/dbraw/zinc/92/40/00/721924000.db2.gz	MRYOBCJKXXJMEL-UHFFFAOYSA-N	0	1	427.461	3.078	20	5		IGBDMN
O=[N+]([O-])c1ccc2ncc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc2c1	ZINC001164961204	722053524	/nfs/dbraw/zinc/05/35/24/722053524.db2.gz	VTZDIPHJVPWVTH-UHFFFAOYSA-N	0	1	434.500	3.052	20	5		IGBDMN
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC2(CC1)COCCN(Cc1ccncc1)C2	ZINC001164964898	722055084	/nfs/dbraw/zinc/05/50/84/722055084.db2.gz	ZGPSJYBEMVLKBN-UHFFFAOYSA-N	0	1	434.500	3.052	20	5		IGBDMN
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1	ZINC001164900500	721516036	/nfs/dbraw/zinc/51/60/36/721516036.db2.gz	RLLQAWOBNGTZAX-TZMCWYRMSA-N	0	1	439.900	3.241	20	5		IGBDMN