smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21	ZINC001164625907	719059067	/nfs/dbraw/zinc/05/90/67/719059067.db2.gz	NSMJVYTUOBUHRP-AEFFLSMTSA-N	1	0	444.919	3.921	20	5		IHBDRO
[NH3+]C1([C@@H]2CN(C(F)(F)c3cc(-c4ccc([N+](=O)[O-])cc4)nnc3Cl)C[C@@H]2CF)CC1	ZINC001164620154	719125453	/nfs/dbraw/zinc/12/54/53/719125453.db2.gz	HKFTVZQJERJUHZ-SWLSCSKDSA-N	1	0	441.841	3.763	20	5		IHBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)ncc1[N+](=O)[O-])CC2	ZINC001164710580	720102361	/nfs/dbraw/zinc/10/23/61/720102361.db2.gz	JKHNFOKQASMTOX-QGZVFWFLSA-N	1	0	431.924	3.546	20	5		IHBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)C2	ZINC001164815308	720198829	/nfs/dbraw/zinc/19/88/29/720198829.db2.gz	YSFZYOQIBUBIBT-NTKDMRAZSA-N	1	0	440.519	3.981	20	5		IHBDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3ccc4cccnc4c3n2)CC1	ZINC001164823178	720305155	/nfs/dbraw/zinc/30/51/55/720305155.db2.gz	PEOQNTGIPDVKGB-YADHBBJMSA-N	1	0	429.568	3.695	20	5		IHBDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1	ZINC001164827411	720352160	/nfs/dbraw/zinc/35/21/60/720352160.db2.gz	LIFCJYOPFLKNDD-NHCUHLMSSA-N	1	0	449.555	3.568	20	5		IHBDRO
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)CC2	ZINC001164841730	720672850	/nfs/dbraw/zinc/67/28/50/720672850.db2.gz	PSJFUDZNAWKOJO-FQEVSTJZSA-N	1	0	433.512	3.798	20	5		IHBDRO
O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164899747	721523992	/nfs/dbraw/zinc/52/39/92/721523992.db2.gz	MCZGAEJZCUEXCP-JSGCOSHPSA-N	1	0	427.263	3.778	20	5		IHBDRO
O=[N+]([O-])c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2[nH]ccc21	ZINC001164907348	721715962	/nfs/dbraw/zinc/71/59/62/721715962.db2.gz	RCHLFDINKDKJPQ-FQEVSTJZSA-N	1	0	428.443	3.604	20	5		IHBDRO
Cc1ccc(-c2nc3sccc3c(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2)cc1[N+](=O)[O-]	ZINC001165039887	721918687	/nfs/dbraw/zinc/91/86/87/721918687.db2.gz	WTXTYUHNKQWCKT-KRWDZBQOSA-N	1	0	439.541	3.876	20	5		IHBDRO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21	ZINC001164625913	719059204	/nfs/dbraw/zinc/05/92/04/719059204.db2.gz	NSMJVYTUOBUHRP-SJLPKXTDSA-N	1	0	444.919	3.921	20	5		IHBDRO
[NH3+]C1([C@@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)C[C@@H]2CF)CC1	ZINC001164621549	719126388	/nfs/dbraw/zinc/12/63/88/719126388.db2.gz	MJYKZDNZPCILMC-SMDDNHRTSA-N	1	0	441.841	3.763	20	5		IHBDRO
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2	ZINC001164840327	720725277	/nfs/dbraw/zinc/72/52/77/720725277.db2.gz	PEMYWTFWVSICNG-LJQANCHMSA-N	1	0	433.512	3.798	20	5		IHBDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)[C@H]2C	ZINC001164857043	720938144	/nfs/dbraw/zinc/93/81/44/720938144.db2.gz	GCLHTHIUGNVPON-LBPRGKRZSA-N	1	0	428.871	3.806	20	5		IHBDRO
COc1cc2ncnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2cc1[N+](=O)[O-]	ZINC001164792246	721495903	/nfs/dbraw/zinc/49/59/03/721495903.db2.gz	LNPJWDBTBAJYPA-UHFFFAOYSA-N	1	0	448.527	3.823	20	5		IHBDRO
O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164907722	721530505	/nfs/dbraw/zinc/53/05/05/721530505.db2.gz	OFUMGGQHINLVPJ-JSGCOSHPSA-N	1	0	427.263	3.778	20	5		IHBDRO
CSc1nc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-]	ZINC001165025939	721815122	/nfs/dbraw/zinc/81/51/22/721815122.db2.gz	OJXCIEBNGHYOBV-NUEKZKHPSA-N	1	0	448.980	3.892	20	5		IHBDRO
Cc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc2ccc([N+](=O)[O-])cc12	ZINC001164960538	722053956	/nfs/dbraw/zinc/05/39/56/722053956.db2.gz	RQSGFIKTXVTMBV-UHFFFAOYSA-N	1	0	447.539	3.965	20	5		IHBDRO
Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164982162	722107123	/nfs/dbraw/zinc/10/71/23/722107123.db2.gz	MZHOEALNAGHFAG-WMZHIEFXSA-N	1	0	433.512	3.574	20	5		IHBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1	ZINC001164994024	722204142	/nfs/dbraw/zinc/20/41/42/722204142.db2.gz	CZDKVMWRZNBTFS-QFIPXVFZSA-N	1	0	428.464	3.551	20	5		IHBDRO
COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1OC	ZINC001176597700	1126150347	/nfs/dbraw/zinc/15/03/47/1126150347.db2.gz	IBFZAOQIMWFEKZ-LJQANCHMSA-N	1	0	428.407	3.714	20	5		IHBDRO
COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC	ZINC001308513620	1126167743	/nfs/dbraw/zinc/16/77/43/1126167743.db2.gz	OYGFIHBULNKYTO-QHCPKHFHSA-N	1	0	426.469	3.955	20	5		IHBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn1)C2	ZINC001164815574	720149682	/nfs/dbraw/zinc/14/96/82/720149682.db2.gz	IJKHUSIMHOXLOF-HYBUGGRVSA-N	1	0	437.544	3.545	20	5		IHBDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@@H]21	ZINC001164834280	720537328	/nfs/dbraw/zinc/53/73/28/720537328.db2.gz	DGSLFMDVVDTCHJ-DZKIICNBSA-N	1	0	439.347	3.871	20	5		IHBDRO
O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1	ZINC001164743764	720592876	/nfs/dbraw/zinc/59/28/76/720592876.db2.gz	QMSPVAHBWUFJHU-UHFFFAOYSA-N	1	0	426.908	3.651	20	5		IHBDRO
Cc1nc(Cl)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-]	ZINC001164837526	720659670	/nfs/dbraw/zinc/65/96/70/720659670.db2.gz	CGGNSEBOTWPDAC-QGZVFWFLSA-N	1	0	431.924	3.607	20	5		IHBDRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc5ccc6cccnc6c5n4)C3)O2)CC1	ZINC001164887929	721395100	/nfs/dbraw/zinc/39/51/00/721395100.db2.gz	IXZVGLBMGBLKRI-ATIYNZHBSA-N	1	0	431.584	3.548	20	5		IHBDRO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1	ZINC001164896888	721526225	/nfs/dbraw/zinc/52/62/25/721526225.db2.gz	CAGQQNMJOPOWJL-HOCLYGCPSA-N	1	0	442.825	3.669	20	5		IHBDRO
O=[N+]([O-])c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1Br	ZINC000734843355	1126106668	/nfs/dbraw/zinc/10/66/68/1126106668.db2.gz	KYQMYVIXUWLGLH-GOEBONIOSA-N	1	0	433.224	3.981	20	5		IHBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)ncc1[N+](=O)[O-])CC2	ZINC001164710578	720103545	/nfs/dbraw/zinc/10/35/45/720103545.db2.gz	JKHNFOKQASMTOX-KRWDZBQOSA-N	1	0	431.924	3.546	20	5		IHBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn1)C2	ZINC001164815576	720148640	/nfs/dbraw/zinc/14/86/40/720148640.db2.gz	IJKHUSIMHOXLOF-YKSBVNFPSA-N	1	0	437.544	3.545	20	5		IHBDRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3ccc4cccnc4c3n1)CCC2	ZINC001164814199	720216103	/nfs/dbraw/zinc/21/61/03/720216103.db2.gz	UFCPHGOACYXPQT-UHFFFAOYSA-N	1	0	428.540	3.590	20	5		IHBDRO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1	ZINC001164728775	720561028	/nfs/dbraw/zinc/56/10/28/720561028.db2.gz	LYAKJZLNELSNOZ-UHFFFAOYSA-N	1	0	426.908	3.651	20	5		IHBDRO
COc1cc(C)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-]	ZINC001164841021	720688159	/nfs/dbraw/zinc/68/81/59/720688159.db2.gz	HACZVZUDHYHSTO-IBGZPJMESA-N	1	0	426.517	3.567	20	5		IHBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164898622	721523630	/nfs/dbraw/zinc/52/36/30/721523630.db2.gz	JKKGCTVLGXLLOF-GDBMZVCRSA-N	1	0	443.866	3.672	20	5		IHBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1	ZINC001164906752	721566827	/nfs/dbraw/zinc/56/68/27/721566827.db2.gz	KQLVNINHXJXWIX-RDJZCZTQSA-N	1	0	443.866	3.672	20	5		IHBDRO
O=[N+]([O-])c1ccc2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1	ZINC001164959968	722058791	/nfs/dbraw/zinc/05/87/91/722058791.db2.gz	AVXCXRAAHGIYFB-UHFFFAOYSA-N	1	0	433.512	3.657	20	5		IHBDRO
O=[N+]([O-])c1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1Br	ZINC000734843357	1126106602	/nfs/dbraw/zinc/10/66/02/1126106602.db2.gz	KYQMYVIXUWLGLH-ZBFHGGJFSA-N	1	0	433.224	3.981	20	5		IHBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2	ZINC001164710759	720095651	/nfs/dbraw/zinc/09/56/51/720095651.db2.gz	MAZJPHZAULQFKT-GOSISDBHSA-N	1	0	431.924	3.546	20	5		IHBDRO
Cc1nc(Cl)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-]	ZINC001164837525	720659163	/nfs/dbraw/zinc/65/91/63/720659163.db2.gz	CGGNSEBOTWPDAC-KRWDZBQOSA-N	1	0	431.924	3.607	20	5		IHBDRO
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)CC2	ZINC001164841733	720672164	/nfs/dbraw/zinc/67/21/64/720672164.db2.gz	PSJFUDZNAWKOJO-HXUWFJFHSA-N	1	0	433.512	3.798	20	5		IHBDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])[C@@H]2C	ZINC001164862389	721005414	/nfs/dbraw/zinc/00/54/14/721005414.db2.gz	SEUCDGDVLDHVHP-SNVBAGLBSA-N	1	0	447.849	3.675	20	5		IHBDRO
Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164861684	721008656	/nfs/dbraw/zinc/00/86/56/721008656.db2.gz	PGBUFAJBDLHMEU-KRWDZBQOSA-N	1	0	435.532	3.978	20	5		IHBDRO
Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc2ccc([N+](=O)[O-])cc12	ZINC001164799079	721540198	/nfs/dbraw/zinc/54/01/98/721540198.db2.gz	AONHPJYNQYQMTF-AOHZBQACSA-N	1	0	433.512	3.715	20	5		IHBDRO
CSc1nc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-]	ZINC001165025936	721814804	/nfs/dbraw/zinc/81/48/04/721814804.db2.gz	OJXCIEBNGHYOBV-BPUTZDHNSA-N	1	0	448.980	3.892	20	5		IHBDRO
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cnc3ccc([N+](=O)[O-])cc3n2)CC1	ZINC001165020239	721838562	/nfs/dbraw/zinc/83/85/62/721838562.db2.gz	GLUSWJXKYDCUKA-UHFFFAOYSA-N	1	0	437.500	3.656	20	5		IHBDRO
CC[NH+](CC)C1CCN(c2nc(Cn3cnc([N+](=O)[O-])c3)nc3sc(C)c(C)c32)CC1	ZINC001165054394	722006731	/nfs/dbraw/zinc/00/67/31/722006731.db2.gz	LPBMFOVCASSUDF-UHFFFAOYSA-N	1	0	443.577	3.772	20	5		IHBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1	ZINC001164994023	722204324	/nfs/dbraw/zinc/20/43/24/722204324.db2.gz	CZDKVMWRZNBTFS-JOCHJYFZSA-N	1	0	428.464	3.551	20	5		IHBDRO
O=[N+]([O-])c1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1Br	ZINC000734843356	1126106584	/nfs/dbraw/zinc/10/65/84/1126106584.db2.gz	KYQMYVIXUWLGLH-HOCLYGCPSA-N	1	0	433.224	3.981	20	5		IHBDRO
COc1cc(C[NH2+][C@H](CO)Cc2ccccc2C)c([N+](=O)[O-])cc1OCC(F)(F)F	ZINC001474114996	1126201926	/nfs/dbraw/zinc/20/19/26/1126201926.db2.gz	TUDMZRIMQRQIOK-INIZCTEOSA-N	1	0	428.407	3.546	20	5		IHBDRO
[NH3+]C1([C@H]2CN(C(F)(F)c3cc(-c4cccc([N+](=O)[O-])c4)nnc3Cl)C[C@@H]2CF)CC1	ZINC001164619000	719125551	/nfs/dbraw/zinc/12/55/51/719125551.db2.gz	BERMHJBDQHWUNY-WFASDCNBSA-N	1	0	441.841	3.763	20	5		IHBDRO
[NH3+]C1([C@H]2CN(C(F)(F)c3cc(-c4ccc([N+](=O)[O-])cc4)nnc3Cl)C[C@@H]2CF)CC1	ZINC001164620156	719126471	/nfs/dbraw/zinc/12/64/71/719126471.db2.gz	HKFTVZQJERJUHZ-WFASDCNBSA-N	1	0	441.841	3.763	20	5		IHBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])CC2	ZINC001164719085	720111223	/nfs/dbraw/zinc/11/12/23/720111223.db2.gz	VPRICLCBZABOFL-SFHVURJKSA-N	1	0	445.951	3.854	20	5		IHBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2	ZINC001164717419	720123593	/nfs/dbraw/zinc/12/35/93/720123593.db2.gz	OTJISPZWXORCKH-FQEVSTJZSA-N	1	0	425.533	3.509	20	5		IHBDRO
CCc1cc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164732065	720456310	/nfs/dbraw/zinc/45/63/10/720456310.db2.gz	MXGFMMWUGFDEGM-FCHUYYIVSA-N	1	0	430.512	3.862	20	5		IHBDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)[C@@H]2C	ZINC001164858712	720944843	/nfs/dbraw/zinc/94/48/43/720944843.db2.gz	KLPJKEQDSBLREW-CYBMUJFWSA-N	1	0	429.912	3.809	20	5		IHBDRO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ccc21	ZINC001164867429	721102891	/nfs/dbraw/zinc/10/28/91/721102891.db2.gz	YKYGWIDOUGHKBC-IRXDYDNUSA-N	1	0	439.903	3.671	20	5		IHBDRO
O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1-c1ccccc1	ZINC001164872651	721184161	/nfs/dbraw/zinc/18/41/61/721184161.db2.gz	HZZJUIIRRVQHMF-NHCUHLMSSA-N	1	0	431.496	3.532	20	5		IHBDRO
O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1-c1ccc(F)cc1	ZINC001164867883	721187311	/nfs/dbraw/zinc/18/73/11/721187311.db2.gz	IXBYXVXWKMYTQJ-SFTDATJTSA-N	1	0	449.486	3.671	20	5		IHBDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@H]21	ZINC001165018609	721806397	/nfs/dbraw/zinc/80/63/97/721806397.db2.gz	BQCOWZUROYYXFD-NWANDNLSSA-N	1	0	437.331	3.824	20	5		IHBDRO
O=[N+]([O-])c1cccc2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc21	ZINC001164962226	722055418	/nfs/dbraw/zinc/05/54/18/722055418.db2.gz	BQLWPTJUNLOWII-UHFFFAOYSA-N	1	0	433.512	3.657	20	5		IHBDRO
Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164982146	722106974	/nfs/dbraw/zinc/10/69/74/722106974.db2.gz	MZHOEALNAGHFAG-AUSIDOKSSA-N	1	0	433.512	3.574	20	5		IHBDRO
CN(C)/C=C\c1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-]	ZINC001164995310	722207574	/nfs/dbraw/zinc/20/75/74/722207574.db2.gz	MDNKWVRPOQWSSD-RRZSJFKKSA-N	1	0	425.508	3.906	20	5		IHBDRO
COc1ccc(-c2ccc(C[NH2+][C@](C)(CO)Cc3ccccc3OC)o2)c([N+](=O)[O-])c1	ZINC001308479502	1126166755	/nfs/dbraw/zinc/16/67/55/1126166755.db2.gz	KHAPHZXSIFXRSO-QHCPKHFHSA-N	1	0	426.469	3.955	20	5		IHBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)cc([N+](=O)[O-])n1)CC2	ZINC001164718008	720111288	/nfs/dbraw/zinc/11/12/88/720111288.db2.gz	QAMHFLSXRLIIII-GOSISDBHSA-N	1	0	431.924	3.546	20	5		IHBDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)[C@H]2C	ZINC001164858286	720924369	/nfs/dbraw/zinc/92/43/69/720924369.db2.gz	MOXMNCHJLNQECH-LBPRGKRZSA-N	1	0	428.871	3.806	20	5		IHBDRO
Cc1ccc(-c2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)nn2)cc1[N+](=O)[O-]	ZINC001164862720	720985126	/nfs/dbraw/zinc/98/51/26/720985126.db2.gz	UDJBBAFTZPCPDB-QGZVFWFLSA-N	1	0	435.532	3.978	20	5		IHBDRO
Cc1ccc(-c2ccc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)nn2)cc1[N+](=O)[O-]	ZINC001164862718	720985248	/nfs/dbraw/zinc/98/52/48/720985248.db2.gz	UDJBBAFTZPCPDB-KRWDZBQOSA-N	1	0	435.532	3.978	20	5		IHBDRO
COC(=O)c1cnc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c([N+](=O)[O-])c1	ZINC001164759202	721043301	/nfs/dbraw/zinc/04/33/01/721043301.db2.gz	KQFNMTBRXGBBOO-UHFFFAOYSA-N	1	0	438.528	3.967	20	5		IHBDRO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ccc21	ZINC001164867427	721102254	/nfs/dbraw/zinc/10/22/54/721102254.db2.gz	YKYGWIDOUGHKBC-IAGOWNOFSA-N	1	0	439.903	3.671	20	5		IHBDRO
O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1-c1ccc(F)cc1	ZINC001164867880	721186895	/nfs/dbraw/zinc/18/68/95/721186895.db2.gz	IXBYXVXWKMYTQJ-LEWJYISDSA-N	1	0	449.486	3.671	20	5		IHBDRO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1	ZINC001164901350	721523929	/nfs/dbraw/zinc/52/39/29/721523929.db2.gz	WQZDCFCINDRCQL-DOTOQJQBSA-N	1	0	443.866	3.672	20	5		IHBDRO
O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164907720	721530235	/nfs/dbraw/zinc/53/02/35/721530235.db2.gz	OFUMGGQHINLVPJ-GXTWGEPZSA-N	1	0	427.263	3.778	20	5		IHBDRO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1	ZINC001164910278	721552900	/nfs/dbraw/zinc/55/29/00/721552900.db2.gz	WFBFKNRPGDPOBD-CTNGQTDRSA-N	1	0	435.459	3.533	20	5		IHBDRO
O=[N+]([O-])c1cccc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21	ZINC001164913822	721734472	/nfs/dbraw/zinc/73/44/72/721734472.db2.gz	YGOJWGCBWXHWMP-NRFANRHFSA-N	1	0	440.454	3.671	20	5		IHBDRO
CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1	ZINC001165028421	721803135	/nfs/dbraw/zinc/80/31/35/721803135.db2.gz	ZBEZNFTXGBSNDP-CWRNSKLLSA-N	1	0	448.980	3.892	20	5		IHBDRO
O=[N+]([O-])c1cccc2nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)ccc21	ZINC001164964721	722055761	/nfs/dbraw/zinc/05/57/61/722055761.db2.gz	XFEDLSWJRQONCZ-UHFFFAOYSA-N	1	0	433.512	3.657	20	5		IHBDRO
Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164982182	722107239	/nfs/dbraw/zinc/10/72/39/722107239.db2.gz	MZHOEALNAGHFAG-XXBNENTESA-N	1	0	433.512	3.574	20	5		IHBDRO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21	ZINC001164625918	719059559	/nfs/dbraw/zinc/05/95/59/719059559.db2.gz	NSMJVYTUOBUHRP-WMZOPIPTSA-N	1	0	444.919	3.921	20	5		IHBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])C2	ZINC001164810500	720105354	/nfs/dbraw/zinc/10/53/54/720105354.db2.gz	JYAVECKYQRINRS-KSFYIVLOSA-N	1	0	430.936	3.981	20	5		IHBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cc(Cl)c1[N+](=O)[O-])CC2	ZINC001164714188	720110548	/nfs/dbraw/zinc/11/05/48/720110548.db2.gz	ALCNGXAWWUBYRN-SFHVURJKSA-N	1	0	445.951	3.854	20	5		IHBDRO
CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164836675	720523670	/nfs/dbraw/zinc/52/36/70/720523670.db2.gz	NKWSMOBCPVKFRG-OFQRWUPVSA-N	1	0	439.347	3.871	20	5		IHBDRO
O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1-c1ccc(F)cc1	ZINC001164867882	721186334	/nfs/dbraw/zinc/18/63/34/721186334.db2.gz	IXBYXVXWKMYTQJ-RTWAWAEBSA-N	1	0	449.486	3.671	20	5		IHBDRO
O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164867511	721187204	/nfs/dbraw/zinc/18/72/04/721187204.db2.gz	GPUXPPZRNBUZHK-QZTJIDSGSA-N	1	0	439.903	3.671	20	5		IHBDRO
O=[N+]([O-])c1ccc2ncnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1	ZINC001164907475	721700051	/nfs/dbraw/zinc/70/00/51/721700051.db2.gz	UDEIHPYBHRXVOA-NRFANRHFSA-N	1	0	440.454	3.671	20	5		IHBDRO
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1	ZINC001165020231	721842149	/nfs/dbraw/zinc/84/21/49/721842149.db2.gz	AFWNKOAWZKPBQI-UHFFFAOYSA-N	1	0	425.489	3.589	20	5		IHBDRO
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1	ZINC001165022778	721844482	/nfs/dbraw/zinc/84/44/82/721844482.db2.gz	UJGKPYMMPJIBGR-UHFFFAOYSA-N	1	0	444.532	3.895	20	5		IHBDRO
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5cccc([N+](=O)[O-])c54)CC3)C2)cc1	ZINC001164944241	721933241	/nfs/dbraw/zinc/93/32/41/721933241.db2.gz	RRPQYKCWQYJWOE-UHFFFAOYSA-N	1	0	433.512	3.718	20	5		IHBDRO
O=[N+]([O-])c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1-c1ccccc1	ZINC001164971718	722154903	/nfs/dbraw/zinc/15/49/03/722154903.db2.gz	DPXXJAVXTINHRC-FYYLOGMGSA-N	1	0	445.523	3.779	20	5		IHBDRO
CCOC(=O)c1ccnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-]	ZINC001164995716	722212232	/nfs/dbraw/zinc/21/22/32/722212232.db2.gz	KDIJCQYRCUSYPF-JOCHJYFZSA-N	1	0	428.464	3.551	20	5		IHBDRO
COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cc1OC	ZINC001308932236	1126168764	/nfs/dbraw/zinc/16/87/64/1126168764.db2.gz	GGKBGCQZLAPTDX-KRWDZBQOSA-N	1	0	445.335	3.519	20	5		IHBDRO
CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])CC2)CC1	ZINC001164614768	719023832	/nfs/dbraw/zinc/02/38/32/719023832.db2.gz	YCVDSIMHVMEDFL-UHFFFAOYSA-N	1	0	431.320	3.541	20	5		IHBDRO
[NH3+]C1([C@@H]2CN(C(F)(F)c3cc(-c4cccc([N+](=O)[O-])c4)nnc3Cl)C[C@H]2CF)CC1	ZINC001164618993	719125716	/nfs/dbraw/zinc/12/57/16/719125716.db2.gz	BERMHJBDQHWUNY-IUODEOHRSA-N	1	0	441.841	3.763	20	5		IHBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])C2	ZINC001164810498	720106116	/nfs/dbraw/zinc/10/61/16/720106116.db2.gz	JYAVECKYQRINRS-AOMKIAJQSA-N	1	0	430.936	3.981	20	5		IHBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2	ZINC001164717421	720123513	/nfs/dbraw/zinc/12/35/13/720123513.db2.gz	OTJISPZWXORCKH-HXUWFJFHSA-N	1	0	425.533	3.509	20	5		IHBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)C2	ZINC001164813204	720129490	/nfs/dbraw/zinc/12/94/90/720129490.db2.gz	PTXKMJDIZDPZOV-ZHRRBRCNSA-N	1	0	430.936	3.981	20	5		IHBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)C2	ZINC001164815305	720198760	/nfs/dbraw/zinc/19/87/60/720198760.db2.gz	YSFZYOQIBUBIBT-CYFREDJKSA-N	1	0	440.519	3.981	20	5		IHBDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3ccc4cccnc4c3n2)CC1	ZINC001164823174	720305542	/nfs/dbraw/zinc/30/55/42/720305542.db2.gz	PEOQNTGIPDVKGB-FCHUYYIVSA-N	1	0	429.568	3.695	20	5		IHBDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1	ZINC001164827408	720352195	/nfs/dbraw/zinc/35/21/95/720352195.db2.gz	LIFCJYOPFLKNDD-LEWJYISDSA-N	1	0	449.555	3.568	20	5		IHBDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)CC[C@@H]21	ZINC001164843149	720599041	/nfs/dbraw/zinc/59/90/41/720599041.db2.gz	WYPSVGJJIQWABS-NWSQWKLXSA-N	1	0	447.543	3.626	20	5		IHBDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])[C@@H]2C	ZINC001164859797	720943054	/nfs/dbraw/zinc/94/30/54/720943054.db2.gz	NORRAPIMVNNTTN-CYBMUJFWSA-N	1	0	429.912	3.809	20	5		IHBDRO
O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1-c1ccccc1	ZINC001164872657	721184819	/nfs/dbraw/zinc/18/48/19/721184819.db2.gz	HZZJUIIRRVQHMF-SFTDATJTSA-N	1	0	431.496	3.532	20	5		IHBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1	ZINC001164906755	721566800	/nfs/dbraw/zinc/56/68/00/721566800.db2.gz	KQLVNINHXJXWIX-WBVHZDCISA-N	1	0	443.866	3.672	20	5		IHBDRO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1	ZINC001164954073	722013852	/nfs/dbraw/zinc/01/38/52/722013852.db2.gz	IBBKOBBRSPDWQY-UHFFFAOYSA-N	1	0	434.953	3.648	20	5		IHBDRO
c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[C@@H]3C2)c1	ZINC001164984346	722107086	/nfs/dbraw/zinc/10/70/86/722107086.db2.gz	SRSMRMATDPYBCG-DHIUTWEWSA-N	1	0	425.536	3.905	20	5		IHBDRO
COc1cc(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F	ZINC001202008757	1126156674	/nfs/dbraw/zinc/15/66/74/1126156674.db2.gz	BFQINNKKCXSIGA-MRXNPFEDSA-N	1	0	428.407	3.546	20	5		IHBDRO
CCOC(=O)C1CC[NH+](C2CCN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)CC2)CC1	ZINC001164613769	719024107	/nfs/dbraw/zinc/02/41/07/719024107.db2.gz	CWQSCHYKTHMUJN-UHFFFAOYSA-N	1	0	426.517	3.695	20	5		IHBDRO
CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)CC1	ZINC001164613714	719025672	/nfs/dbraw/zinc/02/56/72/719025672.db2.gz	ABIGCJVKPAIUHT-UHFFFAOYSA-N	1	0	431.320	3.541	20	5		IHBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])C2	ZINC001164810504	720106088	/nfs/dbraw/zinc/10/60/88/720106088.db2.gz	JYAVECKYQRINRS-ZHRRBRCNSA-N	1	0	430.936	3.981	20	5		IHBDRO
O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nn2)ccc1Cl	ZINC001164731082	720467135	/nfs/dbraw/zinc/46/71/35/720467135.db2.gz	VNSSYXXBAWYYLE-WOJBJXKFSA-N	1	0	436.903	3.953	20	5		IHBDRO
COC(=O)c1ccnc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c1[N+](=O)[O-]	ZINC001164758644	721044684	/nfs/dbraw/zinc/04/46/84/721044684.db2.gz	ACGJVTSLAGYGLN-UHFFFAOYSA-N	1	0	438.528	3.967	20	5		IHBDRO
O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164907724	721531360	/nfs/dbraw/zinc/53/13/60/721531360.db2.gz	OFUMGGQHINLVPJ-OCCSQVGLSA-N	1	0	427.263	3.778	20	5		IHBDRO
O=[N+]([O-])c1cccc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21	ZINC001164913823	721734149	/nfs/dbraw/zinc/73/41/49/721734149.db2.gz	YGOJWGCBWXHWMP-OAQYLSRUSA-N	1	0	440.454	3.671	20	5		IHBDRO
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3cccc([N+](=O)[O-])c32)CC1	ZINC001165031090	721844810	/nfs/dbraw/zinc/84/48/10/721844810.db2.gz	REBNTHHJPGMZET-UHFFFAOYSA-N	1	0	437.500	3.656	20	5		IHBDRO
c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[C@H]3C2)c1	ZINC001164984352	722107039	/nfs/dbraw/zinc/10/70/39/722107039.db2.gz	SRSMRMATDPYBCG-XZOQPEGZSA-N	1	0	425.536	3.905	20	5		IHBDRO
CCOC(=O)c1ccnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1[N+](=O)[O-]	ZINC001164691322	719815620	/nfs/dbraw/zinc/81/56/20/719815620.db2.gz	FZHOGAGHNCRWMN-UHFFFAOYSA-N	1	0	445.545	3.566	20	5		IHBDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1	ZINC001164827413	720352726	/nfs/dbraw/zinc/35/27/26/720352726.db2.gz	LIFCJYOPFLKNDD-RTWAWAEBSA-N	1	0	449.555	3.568	20	5		IHBDRO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1	ZINC001164837518	720670400	/nfs/dbraw/zinc/67/04/00/720670400.db2.gz	CAVWVLFIJAZLAB-QGZVFWFLSA-N	1	0	431.924	3.607	20	5		IHBDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)[C@@H]2C	ZINC001164863214	720945850	/nfs/dbraw/zinc/94/58/50/720945850.db2.gz	YVVPICSHABVVCM-GFCCVEGCSA-N	1	0	428.871	3.806	20	5		IHBDRO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164867321	721077490	/nfs/dbraw/zinc/07/74/90/721077490.db2.gz	XULSDQHQCNZSEV-SJORKVTESA-N	1	0	439.903	3.671	20	5		IHBDRO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1Cl	ZINC001164900686	721512381	/nfs/dbraw/zinc/51/23/81/721512381.db2.gz	SZGZGCUIFBCHCE-GOEBONIOSA-N	1	0	442.825	3.669	20	5		IHBDRO
CSc1nc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-]	ZINC001165025938	721814841	/nfs/dbraw/zinc/81/48/41/721814841.db2.gz	OJXCIEBNGHYOBV-IMJJTQAJSA-N	1	0	448.980	3.892	20	5		IHBDRO
CN(C)/C=C\c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001165023924	721823087	/nfs/dbraw/zinc/82/30/87/721823087.db2.gz	ITGCDSMIKAKKIH-COFBHOFOSA-N	1	0	436.560	3.654	20	5		IHBDRO
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cnc3cc([N+](=O)[O-])ccc3n2)CC1	ZINC001165021430	721838864	/nfs/dbraw/zinc/83/88/64/721838864.db2.gz	MUNMDOWJFMGPRJ-UHFFFAOYSA-N	1	0	437.500	3.656	20	5		IHBDRO
CCOc1nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)ccc1[N+](=O)[O-]	ZINC001165020438	721842622	/nfs/dbraw/zinc/84/26/22/721842622.db2.gz	DOELZVUPOJXVQL-UHFFFAOYSA-N	1	0	430.505	3.507	20	5		IHBDRO
c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[C@@H]3C2)c1	ZINC001164984350	722107155	/nfs/dbraw/zinc/10/71/55/722107155.db2.gz	SRSMRMATDPYBCG-PKTZIBPZSA-N	1	0	425.536	3.905	20	5		IHBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn1)C2	ZINC001164815575	720148965	/nfs/dbraw/zinc/14/89/65/720148965.db2.gz	IJKHUSIMHOXLOF-RDPSFJRHSA-N	1	0	437.544	3.545	20	5		IHBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)C2	ZINC001164819452	720177147	/nfs/dbraw/zinc/17/71/47/720177147.db2.gz	XEQFKKQBMHLXIF-YKSBVNFPSA-N	1	0	437.544	3.545	20	5		IHBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)C2	ZINC001164819449	720177394	/nfs/dbraw/zinc/17/73/94/720177394.db2.gz	XEQFKKQBMHLXIF-HYBUGGRVSA-N	1	0	437.544	3.545	20	5		IHBDRO
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3ccc4cccnc4c3n2)CC1	ZINC001164823175	720305119	/nfs/dbraw/zinc/30/51/19/720305119.db2.gz	PEOQNTGIPDVKGB-FGZHOGPDSA-N	1	0	429.568	3.695	20	5		IHBDRO
O=[N+]([O-])c1cc(-c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)ccc1Cl	ZINC001164731079	720466148	/nfs/dbraw/zinc/46/61/48/720466148.db2.gz	VNSSYXXBAWYYLE-PMACEKPBSA-N	1	0	436.903	3.953	20	5		IHBDRO
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3ccc([N+](=O)[O-])cc31)CC2	ZINC001164840394	720685659	/nfs/dbraw/zinc/68/56/59/720685659.db2.gz	DLIHXFAWSWQSAU-FQEVSTJZSA-N	1	0	433.512	3.798	20	5		IHBDRO
Clc1ccc2ccc3ccc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)nc3c2n1	ZINC001164738260	720702978	/nfs/dbraw/zinc/70/29/78/720702978.db2.gz	ITJMVCCRNZKZID-QZTJIDSGSA-N	1	0	432.915	3.568	20	5		IHBDRO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1	ZINC001164901352	721523428	/nfs/dbraw/zinc/52/34/28/721523428.db2.gz	WQZDCFCINDRCQL-NVXWUHKLSA-N	1	0	443.866	3.672	20	5		IHBDRO
O=[N+]([O-])c1ccc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1	ZINC001164907476	721700403	/nfs/dbraw/zinc/70/04/03/721700403.db2.gz	UDEIHPYBHRXVOA-OAQYLSRUSA-N	1	0	440.454	3.671	20	5		IHBDRO
CN(C)/C=C/c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001165023927	721823219	/nfs/dbraw/zinc/82/32/19/721823219.db2.gz	ITGCDSMIKAKKIH-CZTLWLOHSA-N	1	0	436.560	3.654	20	5		IHBDRO
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cnc5ccc([N+](=O)[O-])cc5n4)CC3)C2)cc1	ZINC001164939785	721922073	/nfs/dbraw/zinc/92/20/73/721922073.db2.gz	NBHUIELRJNPAOW-UHFFFAOYSA-N	1	0	433.512	3.718	20	5		IHBDRO
Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164982158	722107076	/nfs/dbraw/zinc/10/70/76/722107076.db2.gz	MZHOEALNAGHFAG-CVDCTZTESA-N	1	0	433.512	3.574	20	5		IHBDRO
O=[N+]([O-])c1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1Br	ZINC000734843353	1126106642	/nfs/dbraw/zinc/10/66/42/1126106642.db2.gz	KYQMYVIXUWLGLH-GDBMZVCRSA-N	1	0	433.224	3.981	20	5		IHBDRO
COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1OC	ZINC001176597699	1126150146	/nfs/dbraw/zinc/15/01/46/1126150146.db2.gz	IBFZAOQIMWFEKZ-IBGZPJMESA-N	1	0	428.407	3.714	20	5		IHBDRO
COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC	ZINC001179519983	1126152430	/nfs/dbraw/zinc/15/24/30/1126152430.db2.gz	GDDNHWVDPJHQIY-HSZRJFAPSA-N	1	0	426.469	3.955	20	5		IHBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])cc(Cl)n1)CC2	ZINC001164710708	720095827	/nfs/dbraw/zinc/09/58/27/720095827.db2.gz	LHAHGTLIOVKYBL-GOSISDBHSA-N	1	0	431.924	3.546	20	5		IHBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])C2	ZINC001164810502	720106634	/nfs/dbraw/zinc/10/66/34/720106634.db2.gz	JYAVECKYQRINRS-OPAMFIHVSA-N	1	0	430.936	3.981	20	5		IHBDRO
CCOc1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ccc1[N+](=O)[O-]	ZINC001164840314	720703737	/nfs/dbraw/zinc/70/37/37/720703737.db2.gz	PANZOGUXXXOLOC-IBGZPJMESA-N	1	0	426.517	3.648	20	5		IHBDRO
O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1	ZINC001164879795	721146843	/nfs/dbraw/zinc/14/68/43/721146843.db2.gz	UFDAEMAZTUVAND-MSOLQXFVSA-N	1	0	439.903	3.671	20	5		IHBDRO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl	ZINC001164896293	721521889	/nfs/dbraw/zinc/52/18/89/721521889.db2.gz	AVQZNIJZTWPGFX-UKRRQHHQSA-N	1	0	442.825	3.669	20	5		IHBDRO
Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164911002	721557680	/nfs/dbraw/zinc/55/76/80/721557680.db2.gz	XWNDHWAFOMJULQ-IRLDBZIGSA-N	1	0	449.486	3.841	20	5		IHBDRO
O=[N+]([O-])c1ccc2nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)cnc2c1	ZINC001164907077	721693244	/nfs/dbraw/zinc/69/32/44/721693244.db2.gz	QXSBIHOXFRCXKH-NRFANRHFSA-N	1	0	440.454	3.671	20	5		IHBDRO
CC(C)Oc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC001165024439	721826291	/nfs/dbraw/zinc/82/62/91/721826291.db2.gz	JVUKMDRYHGWXNM-DFQSSKMNSA-N	1	0	425.533	3.909	20	5		IHBDRO
COc1ccc(-c2ccc(C[NH2+][C@@](C)(CO)Cc3ccccc3OC)o2)c([N+](=O)[O-])c1	ZINC001308479497	1126166847	/nfs/dbraw/zinc/16/68/47/1126166847.db2.gz	KHAPHZXSIFXRSO-HSZRJFAPSA-N	1	0	426.469	3.955	20	5		IHBDRO
O=[N+]([O-])c1cc(F)c(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c(F)c1	ZINC001473641106	1126198205	/nfs/dbraw/zinc/19/82/05/1126198205.db2.gz	FRSANBNZYYADIZ-GOSISDBHSA-N	1	0	427.245	3.645	20	5		IHBDRO
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)cnc2Cl)c1	ZINC001164409323	718865862	/nfs/dbraw/zinc/86/58/62/718865862.db2.gz	PKOGRAJBYOWSHJ-KBXCAEBGSA-N	1	0	438.862	3.670	20	5		IHBDRO
Cc1nc(C[N@H+]2CCCC23CCN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)CC3)cs1	ZINC001164691552	719813201	/nfs/dbraw/zinc/81/32/01/719813201.db2.gz	GYWOZSDUYZDJCS-BJMVGYQFSA-N	1	0	442.589	3.922	20	5		IHBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)C2	ZINC001164813202	720128945	/nfs/dbraw/zinc/12/89/45/720128945.db2.gz	PTXKMJDIZDPZOV-KSFYIVLOSA-N	1	0	430.936	3.981	20	5		IHBDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1	ZINC001164827415	720352462	/nfs/dbraw/zinc/35/24/62/720352462.db2.gz	LIFCJYOPFLKNDD-SFTDATJTSA-N	1	0	449.555	3.568	20	5		IHBDRO
CCc1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164732078	720456700	/nfs/dbraw/zinc/45/67/00/720456700.db2.gz	MXGFMMWUGFDEGM-VXKWHMMOSA-N	1	0	430.512	3.862	20	5		IHBDRO
CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164834283	720537539	/nfs/dbraw/zinc/53/75/39/720537539.db2.gz	DGSLFMDVVDTCHJ-OFQRWUPVSA-N	1	0	439.347	3.871	20	5		IHBDRO
CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1	ZINC001164834282	720537919	/nfs/dbraw/zinc/53/79/19/720537919.db2.gz	DGSLFMDVVDTCHJ-IJEWVQPXSA-N	1	0	439.347	3.871	20	5		IHBDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)CC[C@@H]2C1	ZINC001164858874	720857421	/nfs/dbraw/zinc/85/74/21/720857421.db2.gz	SEDQOVZPSJVCSZ-MOPGFXCFSA-N	1	0	426.948	3.610	20	5		IHBDRO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ccc21	ZINC001164867431	721103472	/nfs/dbraw/zinc/10/34/72/721103472.db2.gz	YKYGWIDOUGHKBC-SJORKVTESA-N	1	0	439.903	3.671	20	5		IHBDRO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1Cl	ZINC001164900688	721512559	/nfs/dbraw/zinc/51/25/59/721512559.db2.gz	SZGZGCUIFBCHCE-ZBFHGGJFSA-N	1	0	442.825	3.669	20	5		IHBDRO
O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164899748	721523486	/nfs/dbraw/zinc/52/34/86/721523486.db2.gz	MCZGAEJZCUEXCP-OCCSQVGLSA-N	1	0	427.263	3.778	20	5		IHBDRO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1	ZINC001164910282	721552979	/nfs/dbraw/zinc/55/29/79/721552979.db2.gz	WFBFKNRPGDPOBD-FPOVZHCZSA-N	1	0	435.459	3.533	20	5		IHBDRO
O=[N+]([O-])c1ccc2nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)cnc2c1	ZINC001164907078	721692535	/nfs/dbraw/zinc/69/25/35/721692535.db2.gz	QXSBIHOXFRCXKH-OAQYLSRUSA-N	1	0	440.454	3.671	20	5		IHBDRO
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5cc([N+](=O)[O-])ccc54)CC3)C2)cc1	ZINC001164940898	721925335	/nfs/dbraw/zinc/92/53/35/721925335.db2.gz	WABHAFFMXKVWAL-UHFFFAOYSA-N	1	0	433.512	3.718	20	5		IHBDRO
O=[N+]([O-])c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1-c1ccccc1	ZINC001164971719	722154607	/nfs/dbraw/zinc/15/46/07/722154607.db2.gz	DPXXJAVXTINHRC-GGAORHGYSA-N	1	0	445.523	3.779	20	5		IHBDRO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21	ZINC001164625910	719058991	/nfs/dbraw/zinc/05/89/91/719058991.db2.gz	NSMJVYTUOBUHRP-FUHWJXTLSA-N	1	0	444.919	3.921	20	5		IHBDRO
[NH3+]C1([C@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)C[C@H]2CF)CC1	ZINC001164621547	719126478	/nfs/dbraw/zinc/12/64/78/719126478.db2.gz	MJYKZDNZPCILMC-RISCZKNCSA-N	1	0	441.841	3.763	20	5		IHBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])cc(Cl)n1)CC2	ZINC001164710711	720095866	/nfs/dbraw/zinc/09/58/66/720095866.db2.gz	LHAHGTLIOVKYBL-SFHVURJKSA-N	1	0	431.924	3.546	20	5		IHBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(Cl)cc([N+](=O)[O-])n1)CC2	ZINC001164718009	720110600	/nfs/dbraw/zinc/11/06/00/720110600.db2.gz	QAMHFLSXRLIIII-SFHVURJKSA-N	1	0	431.924	3.546	20	5		IHBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)cc(Cl)c1[N+](=O)[O-])CC2	ZINC001164714184	720111281	/nfs/dbraw/zinc/11/12/81/720111281.db2.gz	ALCNGXAWWUBYRN-GOSISDBHSA-N	1	0	445.951	3.854	20	5		IHBDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)[C@H]2C	ZINC001164863216	720946590	/nfs/dbraw/zinc/94/65/90/720946590.db2.gz	YVVPICSHABVVCM-LBPRGKRZSA-N	1	0	428.871	3.806	20	5		IHBDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])[C@H]2C	ZINC001164862385	721004410	/nfs/dbraw/zinc/00/44/10/721004410.db2.gz	SEUCDGDVLDHVHP-JTQLQIEISA-N	1	0	447.849	3.675	20	5		IHBDRO
O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164867515	721186443	/nfs/dbraw/zinc/18/64/43/721186443.db2.gz	GPUXPPZRNBUZHK-ZWKOTPCHSA-N	1	0	439.903	3.671	20	5		IHBDRO
CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc5ccc6cccnc6c5n4)C3)O2)CC1	ZINC001164887936	721395608	/nfs/dbraw/zinc/39/56/08/721395608.db2.gz	IXZVGLBMGBLKRI-BKMJKUGQSA-N	1	0	431.584	3.548	20	5		IHBDRO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1Cl	ZINC001164900685	721512614	/nfs/dbraw/zinc/51/26/14/721512614.db2.gz	SZGZGCUIFBCHCE-GDBMZVCRSA-N	1	0	442.825	3.669	20	5		IHBDRO
O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164907726	721531045	/nfs/dbraw/zinc/53/10/45/721531045.db2.gz	OFUMGGQHINLVPJ-TZMCWYRMSA-N	1	0	427.263	3.778	20	5		IHBDRO
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1	ZINC001164904329	721700663	/nfs/dbraw/zinc/70/06/63/721700663.db2.gz	FOSWMVSURCWIKC-OAQYLSRUSA-N	1	0	440.454	3.671	20	5		IHBDRO
O=[N+]([O-])c1c[nH]c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc12	ZINC001164908365	721713119	/nfs/dbraw/zinc/71/31/19/721713119.db2.gz	XHJPBTUBUPADNM-HXUWFJFHSA-N	1	0	428.443	3.604	20	5		IHBDRO
CN(C)/C=C\c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001165023922	721822948	/nfs/dbraw/zinc/82/29/48/721822948.db2.gz	ITGCDSMIKAKKIH-BNRCBSBZSA-N	1	0	436.560	3.654	20	5		IHBDRO
CN(C)/C=C/c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001165023929	721823097	/nfs/dbraw/zinc/82/30/97/721823097.db2.gz	ITGCDSMIKAKKIH-JVHVQKNDSA-N	1	0	436.560	3.654	20	5		IHBDRO
COc1cc(C[NH2+][C@H](CO)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1OCC(F)(F)F	ZINC001202008756	1126156610	/nfs/dbraw/zinc/15/66/10/1126156610.db2.gz	BFQINNKKCXSIGA-INIZCTEOSA-N	1	0	428.407	3.546	20	5		IHBDRO
COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cc1OC	ZINC001308932238	1126168769	/nfs/dbraw/zinc/16/87/69/1126168769.db2.gz	GGKBGCQZLAPTDX-QGZVFWFLSA-N	1	0	445.335	3.519	20	5		IHBDRO
O=[N+]([O-])c1cc(F)c(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c(F)c1	ZINC001473641107	1126198158	/nfs/dbraw/zinc/19/81/58/1126198158.db2.gz	FRSANBNZYYADIZ-SFHVURJKSA-N	1	0	427.245	3.645	20	5		IHBDRO
COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC	ZINC001560579891	1126213218	/nfs/dbraw/zinc/21/32/18/1126213218.db2.gz	CRQRDJUVOPNMMZ-HSZRJFAPSA-N	1	0	426.469	3.955	20	5		IHBDRO
[NH3+]C1([C@H]2CN(C(F)(F)c3cc(-c4cccc([N+](=O)[O-])c4)nnc3Cl)C[C@H]2CF)CC1	ZINC001164618988	719125411	/nfs/dbraw/zinc/12/54/11/719125411.db2.gz	BERMHJBDQHWUNY-DOMZBBRYSA-N	1	0	441.841	3.763	20	5		IHBDRO
[NH3+]C1([C@@H]2CN(C(F)(F)c3cc(-c4ccc([N+](=O)[O-])cc4)nnc3Cl)C[C@H]2CF)CC1	ZINC001164620152	719125705	/nfs/dbraw/zinc/12/57/05/719125705.db2.gz	HKFTVZQJERJUHZ-IUODEOHRSA-N	1	0	441.841	3.763	20	5		IHBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])c(C)c1C)CC2	ZINC001164719690	720124164	/nfs/dbraw/zinc/12/41/64/720124164.db2.gz	ZYVFBVBYUGPVBX-HXUWFJFHSA-N	1	0	425.533	3.509	20	5		IHBDRO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)ccc21	ZINC001164729669	720569351	/nfs/dbraw/zinc/56/93/51/720569351.db2.gz	SLUVYTOYPDUDRY-UHFFFAOYSA-N	1	0	426.908	3.651	20	5		IHBDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)CC[C@@H]21	ZINC001164843259	720620680	/nfs/dbraw/zinc/62/06/80/720620680.db2.gz	XFBNNMKSQXDEMJ-DXIQSLLYSA-N	1	0	447.543	3.626	20	5		IHBDRO
c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[C@H]3[N@@H+]2CC2CC2)n1	ZINC001164741513	720819189	/nfs/dbraw/zinc/81/91/89/720819189.db2.gz	NXGLETKYWPWVEC-RJGXRXQPSA-N	1	0	439.567	3.754	20	5		IHBDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)CC[C@H]2C1	ZINC001164858877	720857320	/nfs/dbraw/zinc/85/73/20/720857320.db2.gz	SEDQOVZPSJVCSZ-RBUKOAKNSA-N	1	0	426.948	3.610	20	5		IHBDRO
O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1	ZINC001164879801	721147558	/nfs/dbraw/zinc/14/75/58/721147558.db2.gz	UFDAEMAZTUVAND-ZWKOTPCHSA-N	1	0	439.903	3.671	20	5		IHBDRO
O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164867513	721185933	/nfs/dbraw/zinc/18/59/33/721185933.db2.gz	GPUXPPZRNBUZHK-ROUUACIJSA-N	1	0	439.903	3.671	20	5		IHBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1	ZINC001164906747	721567232	/nfs/dbraw/zinc/56/72/32/721567232.db2.gz	KQLVNINHXJXWIX-DOTOQJQBSA-N	1	0	443.866	3.672	20	5		IHBDRO
CC(C)Oc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1[N+](=O)[O-]	ZINC001165024440	721826217	/nfs/dbraw/zinc/82/62/17/721826217.db2.gz	JVUKMDRYHGWXNM-IHPCNDPISA-N	1	0	425.533	3.909	20	5		IHBDRO
CC(C)Oc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC001165024441	721826350	/nfs/dbraw/zinc/82/63/50/721826350.db2.gz	JVUKMDRYHGWXNM-SXLOBPIMSA-N	1	0	425.533	3.909	20	5		IHBDRO
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc3cc([N+](=O)[O-])ccc32)CC1	ZINC001165020215	721840497	/nfs/dbraw/zinc/84/04/97/721840497.db2.gz	GCXJNXXDDSMNCC-UHFFFAOYSA-N	1	0	437.500	3.656	20	5		IHBDRO
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc([N+](=O)[O-])c(OC(C)C)n4)CC3)C2)cc1	ZINC001164940727	721931632	/nfs/dbraw/zinc/93/16/32/721931632.db2.gz	YXWAARLCNNCSAW-UHFFFAOYSA-N	1	0	440.544	3.957	20	5		IHBDRO
O=[N+]([O-])c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c2ccccc21	ZINC001164964281	722055092	/nfs/dbraw/zinc/05/50/92/722055092.db2.gz	UKMUTTXNRWLPCU-UHFFFAOYSA-N	1	0	433.512	3.657	20	5		IHBDRO
CCOc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)ccc1[N+](=O)[O-]	ZINC001460424709	1126191125	/nfs/dbraw/zinc/19/11/25/1126191125.db2.gz	QOUPLLRBKYCZPQ-HXUWFJFHSA-N	1	0	435.318	3.766	20	5		IHBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)C2	ZINC001164813201	720129226	/nfs/dbraw/zinc/12/92/26/720129226.db2.gz	PTXKMJDIZDPZOV-AOMKIAJQSA-N	1	0	430.936	3.981	20	5		IHBDRO
O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nn2)ccc1Cl	ZINC001164731080	720465685	/nfs/dbraw/zinc/46/56/85/720465685.db2.gz	VNSSYXXBAWYYLE-UXHICEINSA-N	1	0	436.903	3.953	20	5		IHBDRO
COc1cc(C)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-]	ZINC001164841024	720687121	/nfs/dbraw/zinc/68/71/21/720687121.db2.gz	HACZVZUDHYHSTO-LJQANCHMSA-N	1	0	426.517	3.567	20	5		IHBDRO
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2	ZINC001164840326	720724364	/nfs/dbraw/zinc/72/43/64/720724364.db2.gz	PEMYWTFWVSICNG-IBGZPJMESA-N	1	0	433.512	3.798	20	5		IHBDRO
O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1-c1ccccc1	ZINC001164872647	721185078	/nfs/dbraw/zinc/18/50/78/721185078.db2.gz	HZZJUIIRRVQHMF-LEWJYISDSA-N	1	0	431.496	3.532	20	5		IHBDRO
CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc5ccc6cccnc6c5n4)C3)O2)CC1	ZINC001164887950	721395515	/nfs/dbraw/zinc/39/55/15/721395515.db2.gz	IXZVGLBMGBLKRI-NVQXNPDNSA-N	1	0	431.584	3.548	20	5		IHBDRO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1Cl	ZINC001164900687	721512744	/nfs/dbraw/zinc/51/27/44/721512744.db2.gz	SZGZGCUIFBCHCE-HOCLYGCPSA-N	1	0	442.825	3.669	20	5		IHBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164898817	721523802	/nfs/dbraw/zinc/52/38/02/721523802.db2.gz	JKKGCTVLGXLLOF-ZBFHGGJFSA-N	1	0	443.866	3.672	20	5		IHBDRO
Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc2ccc([N+](=O)[O-])cc12	ZINC001164799082	721539825	/nfs/dbraw/zinc/53/98/25/721539825.db2.gz	AONHPJYNQYQMTF-FIXSFTCYSA-N	1	0	433.512	3.715	20	5		IHBDRO
Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164911009	721557411	/nfs/dbraw/zinc/55/74/11/721557411.db2.gz	XWNDHWAFOMJULQ-UNMCSNQZSA-N	1	0	449.486	3.841	20	5		IHBDRO
COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC	ZINC001179519984	1126152456	/nfs/dbraw/zinc/15/24/56/1126152456.db2.gz	GDDNHWVDPJHQIY-QHCPKHFHSA-N	1	0	426.469	3.955	20	5		IHBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)C2	ZINC001164813203	720129792	/nfs/dbraw/zinc/12/97/92/720129792.db2.gz	PTXKMJDIZDPZOV-OPAMFIHVSA-N	1	0	430.936	3.981	20	5		IHBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn1)C2	ZINC001164815573	720149427	/nfs/dbraw/zinc/14/94/27/720149427.db2.gz	IJKHUSIMHOXLOF-GBXCKJPGSA-N	1	0	437.544	3.545	20	5		IHBDRO
CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164843258	720621915	/nfs/dbraw/zinc/62/19/15/720621915.db2.gz	XFBNNMKSQXDEMJ-CNNODRBYSA-N	1	0	447.543	3.626	20	5		IHBDRO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1	ZINC001164896886	721526437	/nfs/dbraw/zinc/52/64/37/721526437.db2.gz	CAGQQNMJOPOWJL-GDBMZVCRSA-N	1	0	442.825	3.669	20	5		IHBDRO
Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164907358	721546892	/nfs/dbraw/zinc/54/68/92/721546892.db2.gz	NCVKLYNWUDPRNO-CTNGQTDRSA-N	1	0	449.486	3.841	20	5		IHBDRO
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc3ccc4ccc(Cl)nc4c3n2)CC1	ZINC001165011871	721738460	/nfs/dbraw/zinc/73/84/60/721738460.db2.gz	VITJPHCSOYXRHX-UHFFFAOYSA-N	1	0	437.975	3.959	20	5		IHBDRO
C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-]	ZINC001164928581	721863490	/nfs/dbraw/zinc/86/34/90/721863490.db2.gz	YSJLDARKONGHGV-DLBZAZTESA-N	1	0	449.914	3.789	20	5		IHBDRO
C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-]	ZINC001164928582	721863643	/nfs/dbraw/zinc/86/36/43/721863643.db2.gz	YSJLDARKONGHGV-IAGOWNOFSA-N	1	0	449.914	3.789	20	5		IHBDRO
O=[N+]([O-])c1cc2ccccc2nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2	ZINC001164960649	722057844	/nfs/dbraw/zinc/05/78/44/722057844.db2.gz	FUWZQILRMSNMCT-UHFFFAOYSA-N	1	0	433.512	3.657	20	5		IHBDRO
O=[N+]([O-])c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1-c1ccccc1	ZINC001164971720	722154868	/nfs/dbraw/zinc/15/48/68/722154868.db2.gz	DPXXJAVXTINHRC-GMAHTHKFSA-N	1	0	445.523	3.779	20	5		IHBDRO
CN(C)/C=C/c1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-]	ZINC001164995304	722207465	/nfs/dbraw/zinc/20/74/65/722207465.db2.gz	MDNKWVRPOQWSSD-GULCCPCXSA-N	1	0	425.508	3.906	20	5		IHBDRO
CN(C)/C=C/c1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-]	ZINC001164995299	722207674	/nfs/dbraw/zinc/20/76/74/722207674.db2.gz	MDNKWVRPOQWSSD-BVRWQAIYSA-N	1	0	425.508	3.906	20	5		IHBDRO
COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC	ZINC001308513618	1126167892	/nfs/dbraw/zinc/16/78/92/1126167892.db2.gz	OYGFIHBULNKYTO-HSZRJFAPSA-N	1	0	426.469	3.955	20	5		IHBDRO
COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC	ZINC001560579892	1126213268	/nfs/dbraw/zinc/21/32/68/1126213268.db2.gz	CRQRDJUVOPNMMZ-QHCPKHFHSA-N	1	0	426.469	3.955	20	5		IHBDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])CC[C@@H]21	ZINC001164836678	720523730	/nfs/dbraw/zinc/52/37/30/720523730.db2.gz	NKWSMOBCPVKFRG-YCPHGPKFSA-N	1	0	439.347	3.871	20	5		IHBDRO
O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1	ZINC001164879797	721147539	/nfs/dbraw/zinc/14/75/39/721147539.db2.gz	UFDAEMAZTUVAND-QZTJIDSGSA-N	1	0	439.903	3.671	20	5		IHBDRO
O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164867507	721186266	/nfs/dbraw/zinc/18/62/66/721186266.db2.gz	GPUXPPZRNBUZHK-MSOLQXFVSA-N	1	0	439.903	3.671	20	5		IHBDRO
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CC2	ZINC001164792021	721492628	/nfs/dbraw/zinc/49/26/28/721492628.db2.gz	JZMWDJZYPIOCQK-UHFFFAOYSA-N	1	0	437.331	3.968	20	5		IHBDRO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1	ZINC001164901354	721523778	/nfs/dbraw/zinc/52/37/78/721523778.db2.gz	WQZDCFCINDRCQL-RDJZCZTQSA-N	1	0	443.866	3.672	20	5		IHBDRO
Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164911005	721557766	/nfs/dbraw/zinc/55/77/66/721557766.db2.gz	XWNDHWAFOMJULQ-RBBKRZOGSA-N	1	0	449.486	3.841	20	5		IHBDRO
CC(C)Oc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1[N+](=O)[O-]	ZINC001165024442	721826441	/nfs/dbraw/zinc/82/64/41/721826441.db2.gz	JVUKMDRYHGWXNM-YSIASYRMSA-N	1	0	425.533	3.909	20	5		IHBDRO
O=[N+]([O-])c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1-c1ccccc1	ZINC001164971721	722154592	/nfs/dbraw/zinc/15/45/92/722154592.db2.gz	DPXXJAVXTINHRC-JTHBVZDNSA-N	1	0	445.523	3.779	20	5		IHBDRO
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)cnc2Cl)c1	ZINC001164409325	718865762	/nfs/dbraw/zinc/86/57/62/718865762.db2.gz	PKOGRAJBYOWSHJ-KDOFPFPSSA-N	1	0	438.862	3.670	20	5		IHBDRO
[NH3+]C1([C@@H]2CN(C(F)(F)c3cc(-c4cccc([N+](=O)[O-])c4)nnc3Cl)C[C@@H]2CF)CC1	ZINC001164618996	719125235	/nfs/dbraw/zinc/12/52/35/719125235.db2.gz	BERMHJBDQHWUNY-SWLSCSKDSA-N	1	0	441.841	3.763	20	5		IHBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(Cl)c1[N+](=O)[O-])CC2	ZINC001164711021	720096333	/nfs/dbraw/zinc/09/63/33/720096333.db2.gz	NCJHJAPLSUFKJT-KRWDZBQOSA-N	1	0	431.924	3.546	20	5		IHBDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])CC[C@@H]21	ZINC001164836672	720523776	/nfs/dbraw/zinc/52/37/76/720523776.db2.gz	NKWSMOBCPVKFRG-DZKIICNBSA-N	1	0	439.347	3.871	20	5		IHBDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)CC[C@@H]21	ZINC001164843260	720621901	/nfs/dbraw/zinc/62/19/01/720621901.db2.gz	XFBNNMKSQXDEMJ-IPJJNNNSSA-N	1	0	447.543	3.626	20	5		IHBDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)[C@H]2C	ZINC001164858714	720943630	/nfs/dbraw/zinc/94/36/30/720943630.db2.gz	KLPJKEQDSBLREW-ZDUSSCGKSA-N	1	0	429.912	3.809	20	5		IHBDRO
CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc5ccc6cccnc6c5n4)C3)O2)CC1	ZINC001164887943	721395373	/nfs/dbraw/zinc/39/53/73/721395373.db2.gz	IXZVGLBMGBLKRI-GJZUVCINSA-N	1	0	431.584	3.548	20	5		IHBDRO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1	ZINC001164896889	721525915	/nfs/dbraw/zinc/52/59/15/721525915.db2.gz	CAGQQNMJOPOWJL-ZBFHGGJFSA-N	1	0	442.825	3.669	20	5		IHBDRO
Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc2ccc([N+](=O)[O-])cc12	ZINC001164799085	721539877	/nfs/dbraw/zinc/53/98/77/721539877.db2.gz	AONHPJYNQYQMTF-GPXNEJASSA-N	1	0	433.512	3.715	20	5		IHBDRO
Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164910999	721557378	/nfs/dbraw/zinc/55/73/78/721557378.db2.gz	XWNDHWAFOMJULQ-IFMALSPDSA-N	1	0	449.486	3.841	20	5		IHBDRO
CC(C)Oc1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-]	ZINC001164913124	721728915	/nfs/dbraw/zinc/72/89/15/721728915.db2.gz	TZWNWCTZKOYFMS-OAQYLSRUSA-N	1	0	447.486	3.910	20	5		IHBDRO
O=[N+]([O-])c1ccc(-c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nn2)cc1	ZINC001164955490	722021969	/nfs/dbraw/zinc/02/19/69/722021969.db2.gz	JEXAZWBCSZVAID-UHFFFAOYSA-N	1	0	430.512	3.939	20	5		IHBDRO
CN(C)/C=C\c1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-]	ZINC001164995315	722207998	/nfs/dbraw/zinc/20/79/98/722207998.db2.gz	MDNKWVRPOQWSSD-TZCKBEDOSA-N	1	0	425.508	3.906	20	5		IHBDRO
COc1cc(C[NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F	ZINC001461547057	1126195042	/nfs/dbraw/zinc/19/50/42/1126195042.db2.gz	FEHIMUDTKOHRSD-QGZVFWFLSA-N	1	0	442.434	3.855	20	5		IHBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])CC2	ZINC001164719084	720110635	/nfs/dbraw/zinc/11/06/35/720110635.db2.gz	VPRICLCBZABOFL-GOSISDBHSA-N	1	0	445.951	3.854	20	5		IHBDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])CC[C@@H]21	ZINC001164834284	720537380	/nfs/dbraw/zinc/53/73/80/720537380.db2.gz	DGSLFMDVVDTCHJ-YCPHGPKFSA-N	1	0	439.347	3.871	20	5		IHBDRO
O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1-c1ccc(F)cc1	ZINC001164867881	721185637	/nfs/dbraw/zinc/18/56/37/721185637.db2.gz	IXBYXVXWKMYTQJ-NHCUHLMSSA-N	1	0	449.486	3.671	20	5		IHBDRO
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nn1	ZINC001164905309	721558941	/nfs/dbraw/zinc/55/89/41/721558941.db2.gz	GPJCKDULIVTHTC-PKOBYXMFSA-N	1	0	435.459	3.533	20	5		IHBDRO
O=[N+]([O-])c1ccc2ncc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2c1	ZINC001164907888	721586838	/nfs/dbraw/zinc/58/68/38/721586838.db2.gz	VTJQBPFDJZVWNI-NRFANRHFSA-N	1	0	440.454	3.671	20	5		IHBDRO
O=[N+]([O-])c1ccccc1-c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nn1	ZINC001164955658	722022945	/nfs/dbraw/zinc/02/29/45/722022945.db2.gz	MHEHZHVIUCKFSL-UHFFFAOYSA-N	1	0	430.512	3.939	20	5		IHBDRO
COc1ccc(C[C@](C)(CO)[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC	ZINC001179520668	1126152679	/nfs/dbraw/zinc/15/26/79/1126152679.db2.gz	MKHZYTRANTYBQW-JOCHJYFZSA-N	1	0	443.525	3.819	20	5		IHBDRO
[NH3+]C1([C@@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)C[C@H]2CF)CC1	ZINC001164621542	719126113	/nfs/dbraw/zinc/12/61/13/719126113.db2.gz	MJYKZDNZPCILMC-BXUZGUMPSA-N	1	0	441.841	3.763	20	5		IHBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2	ZINC001164710760	720095401	/nfs/dbraw/zinc/09/54/01/720095401.db2.gz	MAZJPHZAULQFKT-SFHVURJKSA-N	1	0	431.924	3.546	20	5		IHBDRO
CCc1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164732070	720455775	/nfs/dbraw/zinc/45/57/75/720455775.db2.gz	MXGFMMWUGFDEGM-FGZHOGPDSA-N	1	0	430.512	3.862	20	5		IHBDRO
CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164843151	720597729	/nfs/dbraw/zinc/59/77/29/720597729.db2.gz	WYPSVGJJIQWABS-UNWVZKJWSA-N	1	0	447.543	3.626	20	5		IHBDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)[C@@H]2C	ZINC001164858081	721021541	/nfs/dbraw/zinc/02/15/41/721021541.db2.gz	FXFHVXDKZNMTMU-CYBMUJFWSA-N	1	0	429.912	3.809	20	5		IHBDRO
COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)n1	ZINC001164759499	721043857	/nfs/dbraw/zinc/04/38/57/721043857.db2.gz	NINDOCIPEANKCD-UHFFFAOYSA-N	1	0	425.533	3.893	20	5		IHBDRO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ccc21	ZINC001164867425	721103768	/nfs/dbraw/zinc/10/37/68/721103768.db2.gz	YKYGWIDOUGHKBC-DLBZAZTESA-N	1	0	439.903	3.671	20	5		IHBDRO
Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164907360	721546916	/nfs/dbraw/zinc/54/69/16/721546916.db2.gz	NCVKLYNWUDPRNO-PZJWPPBQSA-N	1	0	449.486	3.841	20	5		IHBDRO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1	ZINC001164910286	721552741	/nfs/dbraw/zinc/55/27/41/721552741.db2.gz	WFBFKNRPGDPOBD-PZJWPPBQSA-N	1	0	435.459	3.533	20	5		IHBDRO
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1	ZINC001164905307	721559208	/nfs/dbraw/zinc/55/92/08/721559208.db2.gz	GPJCKDULIVTHTC-IEBWSBKVSA-N	1	0	435.459	3.533	20	5		IHBDRO
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nn1	ZINC001164905306	721559409	/nfs/dbraw/zinc/55/94/09/721559409.db2.gz	GPJCKDULIVTHTC-HKUYNNGSSA-N	1	0	435.459	3.533	20	5		IHBDRO
O=[N+]([O-])c1c[nH]c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc12	ZINC001164908362	721713178	/nfs/dbraw/zinc/71/31/78/721713178.db2.gz	XHJPBTUBUPADNM-FQEVSTJZSA-N	1	0	428.443	3.604	20	5		IHBDRO
Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3CC[NH+](C4CCCC4)CC3)c2c1C	ZINC001165032060	721861179	/nfs/dbraw/zinc/86/11/79/721861179.db2.gz	LTGOAAXYESFXEP-UHFFFAOYSA-N	1	0	441.561	3.526	20	5		IHBDRO
C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-]	ZINC001164928584	721863796	/nfs/dbraw/zinc/86/37/96/721863796.db2.gz	YSJLDARKONGHGV-SJORKVTESA-N	1	0	449.914	3.789	20	5		IHBDRO
CCOc1nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)ccc1[N+](=O)[O-]	ZINC001164939966	721928890	/nfs/dbraw/zinc/92/88/90/721928890.db2.gz	PGWJHLOFAAXING-UHFFFAOYSA-N	1	0	426.517	3.568	20	5		IHBDRO
COc1cc(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F	ZINC001461547054	1126195014	/nfs/dbraw/zinc/19/50/14/1126195014.db2.gz	FEHIMUDTKOHRSD-KRWDZBQOSA-N	1	0	442.434	3.855	20	5		IHBDRO
CCOc1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ccc1[N+](=O)[O-]	ZINC001164840315	720702629	/nfs/dbraw/zinc/70/26/29/720702629.db2.gz	PANZOGUXXXOLOC-LJQANCHMSA-N	1	0	426.517	3.648	20	5		IHBDRO
Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164861695	721008929	/nfs/dbraw/zinc/00/89/29/721008929.db2.gz	PGBUFAJBDLHMEU-QGZVFWFLSA-N	1	0	435.532	3.978	20	5		IHBDRO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164867319	721077529	/nfs/dbraw/zinc/07/75/29/721077529.db2.gz	XULSDQHQCNZSEV-IAGOWNOFSA-N	1	0	439.903	3.671	20	5		IHBDRO
CN(C)/C=C/c1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ncc1[N+](=O)[O-]	ZINC001164796696	721500366	/nfs/dbraw/zinc/50/03/66/721500366.db2.gz	VLUCFUFRCPIHPS-IZZDOVSWSA-N	1	0	436.560	3.798	20	5		IHBDRO
Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164907361	721546609	/nfs/dbraw/zinc/54/66/09/721546609.db2.gz	NCVKLYNWUDPRNO-TZIWHRDSSA-N	1	0	449.486	3.841	20	5		IHBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1	ZINC001164906749	721567256	/nfs/dbraw/zinc/56/72/56/721567256.db2.gz	KQLVNINHXJXWIX-NVXWUHKLSA-N	1	0	443.866	3.672	20	5		IHBDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@@H]21	ZINC001165018606	721806620	/nfs/dbraw/zinc/80/66/20/721806620.db2.gz	BQCOWZUROYYXFD-AEGPPILISA-N	1	0	437.331	3.824	20	5		IHBDRO
O=[N+]([O-])c1ccc2c(ccnc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1	ZINC001164966066	722062236	/nfs/dbraw/zinc/06/22/36/722062236.db2.gz	NVAGMMDVFXPBOV-UHFFFAOYSA-N	1	0	433.512	3.657	20	5		IHBDRO
CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1	ZINC001164836674	720524071	/nfs/dbraw/zinc/52/40/71/720524071.db2.gz	NKWSMOBCPVKFRG-IJEWVQPXSA-N	1	0	439.347	3.871	20	5		IHBDRO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1	ZINC001164837517	720671020	/nfs/dbraw/zinc/67/10/20/720671020.db2.gz	CAVWVLFIJAZLAB-KRWDZBQOSA-N	1	0	431.924	3.607	20	5		IHBDRO
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3cc([N+](=O)[O-])ccc31)CC2	ZINC001164845381	720685480	/nfs/dbraw/zinc/68/54/80/720685480.db2.gz	ZBSCGDZOYZKHHS-HXUWFJFHSA-N	1	0	433.512	3.798	20	5		IHBDRO
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3cc([N+](=O)[O-])ccc31)CC2	ZINC001164845380	720686209	/nfs/dbraw/zinc/68/62/09/720686209.db2.gz	ZBSCGDZOYZKHHS-FQEVSTJZSA-N	1	0	433.512	3.798	20	5		IHBDRO
COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)CC[C@@H]2C1	ZINC001164858878	720857719	/nfs/dbraw/zinc/85/77/19/720857719.db2.gz	SEDQOVZPSJVCSZ-RTBURBONSA-N	1	0	426.948	3.610	20	5		IHBDRO
CCOC(=O)c1ccnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-]	ZINC001164995718	722212439	/nfs/dbraw/zinc/21/24/39/722212439.db2.gz	KDIJCQYRCUSYPF-QFIPXVFZSA-N	1	0	428.464	3.551	20	5		IHBDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)[C@@H]2C	ZINC001164858282	720924722	/nfs/dbraw/zinc/92/47/22/720924722.db2.gz	MOXMNCHJLNQECH-GFCCVEGCSA-N	1	0	428.871	3.806	20	5		IHBDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])[C@H]2C	ZINC001164859804	720944882	/nfs/dbraw/zinc/94/48/82/720944882.db2.gz	NORRAPIMVNNTTN-ZDUSSCGKSA-N	1	0	429.912	3.809	20	5		IHBDRO
O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1	ZINC001164879799	721148063	/nfs/dbraw/zinc/14/80/63/721148063.db2.gz	UFDAEMAZTUVAND-ROUUACIJSA-N	1	0	439.903	3.671	20	5		IHBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164898816	721523454	/nfs/dbraw/zinc/52/34/54/721523454.db2.gz	JKKGCTVLGXLLOF-HOCLYGCPSA-N	1	0	443.866	3.672	20	5		IHBDRO
O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164899749	721523754	/nfs/dbraw/zinc/52/37/54/721523754.db2.gz	MCZGAEJZCUEXCP-TZMCWYRMSA-N	1	0	427.263	3.778	20	5		IHBDRO
[NH3+]C1([C@H]2CN(C(F)(F)c3cc(-c4ccc([N+](=O)[O-])cc4)nnc3Cl)C[C@H]2CF)CC1	ZINC001164620148	719125547	/nfs/dbraw/zinc/12/55/47/719125547.db2.gz	HKFTVZQJERJUHZ-DOMZBBRYSA-N	1	0	441.841	3.763	20	5		IHBDRO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1	ZINC001164691291	719811226	/nfs/dbraw/zinc/81/12/26/719811226.db2.gz	DSOPNAPZHDBMCC-UHFFFAOYSA-N	1	0	445.545	3.566	20	5		IHBDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)C2	ZINC001164815306	720198945	/nfs/dbraw/zinc/19/89/45/720198945.db2.gz	YSFZYOQIBUBIBT-DVECYGJZSA-N	1	0	440.519	3.981	20	5		IHBDRO
O=[N+]([O-])c1cc(-c2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nn2)ccc1Cl	ZINC001164731081	720466785	/nfs/dbraw/zinc/46/67/85/720466785.db2.gz	VNSSYXXBAWYYLE-VQTJNVASSA-N	1	0	436.903	3.953	20	5		IHBDRO
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3ccc([N+](=O)[O-])cc31)CC2	ZINC001164840397	720686279	/nfs/dbraw/zinc/68/62/79/720686279.db2.gz	DLIHXFAWSWQSAU-HXUWFJFHSA-N	1	0	433.512	3.798	20	5		IHBDRO
c1ncn(C[C@H]2C[C@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[C@H]3[N@@H+]2CC2CC2)n1	ZINC001164741530	720819096	/nfs/dbraw/zinc/81/90/96/720819096.db2.gz	NXGLETKYWPWVEC-YTFSRNRJSA-N	1	0	439.567	3.754	20	5		IHBDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)[C@@H]2C	ZINC001164857042	720939780	/nfs/dbraw/zinc/93/97/80/720939780.db2.gz	GCLHTHIUGNVPON-GFCCVEGCSA-N	1	0	428.871	3.806	20	5		IHBDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)[C@H]2C	ZINC001164856474	721013426	/nfs/dbraw/zinc/01/34/26/721013426.db2.gz	ANWURFOQWLVQRN-HNNXBMFYSA-N	1	0	439.495	3.809	20	5		IHBDRO
COc1nc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)nc(OC)c1[N+](=O)[O-]	ZINC001164758913	721044101	/nfs/dbraw/zinc/04/41/01/721044101.db2.gz	FLCYRVRHKLFUBA-UHFFFAOYSA-N	1	0	441.532	3.593	20	5		IHBDRO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164867318	721077880	/nfs/dbraw/zinc/07/78/80/721077880.db2.gz	XULSDQHQCNZSEV-DLBZAZTESA-N	1	0	439.903	3.671	20	5		IHBDRO
O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164899746	721523515	/nfs/dbraw/zinc/52/35/15/721523515.db2.gz	MCZGAEJZCUEXCP-GXTWGEPZSA-N	1	0	427.263	3.778	20	5		IHBDRO
O=[N+]([O-])c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2[nH]ccc21	ZINC001164907349	721715302	/nfs/dbraw/zinc/71/53/02/721715302.db2.gz	RCHLFDINKDKJPQ-HXUWFJFHSA-N	1	0	428.443	3.604	20	5		IHBDRO
CSc1nc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-]	ZINC001165025937	721814921	/nfs/dbraw/zinc/81/49/21/721814921.db2.gz	OJXCIEBNGHYOBV-CWRNSKLLSA-N	1	0	448.980	3.892	20	5		IHBDRO
COc1ccc(C[C@@](C)(CO)[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC	ZINC001179520669	1126152672	/nfs/dbraw/zinc/15/26/72/1126152672.db2.gz	MKHZYTRANTYBQW-QFIPXVFZSA-N	1	0	443.525	3.819	20	5		IHBDRO
CCOC(=O)C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)CC1	ZINC001164616541	719034745	/nfs/dbraw/zinc/03/47/45/719034745.db2.gz	FJVRVKHDYUUTSN-UHFFFAOYSA-N	1	0	438.528	3.901	20	5		IHBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(Cl)c1[N+](=O)[O-])CC2	ZINC001164711022	720096469	/nfs/dbraw/zinc/09/64/69/720096469.db2.gz	NCJHJAPLSUFKJT-QGZVFWFLSA-N	1	0	431.924	3.546	20	5		IHBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2	ZINC001164711535	720096864	/nfs/dbraw/zinc/09/68/64/720096864.db2.gz	QLWNRROEKMKAEH-SFHVURJKSA-N	1	0	431.924	3.546	20	5		IHBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C)c1[N+](=O)[O-])CC2	ZINC001164719528	720108990	/nfs/dbraw/zinc/10/89/90/720108990.db2.gz	YFZOSEVLFZUXOW-SFHVURJKSA-N	1	0	445.951	3.854	20	5		IHBDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])c(C)c1C)CC2	ZINC001164719688	720123305	/nfs/dbraw/zinc/12/33/05/720123305.db2.gz	ZYVFBVBYUGPVBX-FQEVSTJZSA-N	1	0	425.533	3.509	20	5		IHBDRO
O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1	ZINC001164736163	720584807	/nfs/dbraw/zinc/58/48/07/720584807.db2.gz	FVHJEPNTUKGBHO-UHFFFAOYSA-N	1	0	426.908	3.651	20	5		IHBDRO
CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164843148	720597808	/nfs/dbraw/zinc/59/78/08/720597808.db2.gz	WYPSVGJJIQWABS-IEIRFRATSA-N	1	0	447.543	3.626	20	5		IHBDRO
c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[C@H]3[N@@H+]2CC2CC2)n1	ZINC001164741521	720819173	/nfs/dbraw/zinc/81/91/73/720819173.db2.gz	NXGLETKYWPWVEC-XPWALMASSA-N	1	0	439.567	3.754	20	5		IHBDRO
COCC[N@@H+]1CCO[C@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)CC[C@H]2C1	ZINC001164858876	720857701	/nfs/dbraw/zinc/85/77/01/720857701.db2.gz	SEDQOVZPSJVCSZ-OALUTQOASA-N	1	0	426.948	3.610	20	5		IHBDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)[C@@H]2C	ZINC001164856475	721013974	/nfs/dbraw/zinc/01/39/74/721013974.db2.gz	ANWURFOQWLVQRN-OAHLLOKOSA-N	1	0	439.495	3.809	20	5		IHBDRO
CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1	ZINC001165028428	721803084	/nfs/dbraw/zinc/80/30/84/721803084.db2.gz	ZBEZNFTXGBSNDP-NUEKZKHPSA-N	1	0	448.980	3.892	20	5		IHBDRO
CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1	ZINC001165028424	721803207	/nfs/dbraw/zinc/80/32/07/721803207.db2.gz	ZBEZNFTXGBSNDP-IMJJTQAJSA-N	1	0	448.980	3.892	20	5		IHBDRO
CSc1nc(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1[N+](=O)[O-]	ZINC001164951694	722018984	/nfs/dbraw/zinc/01/89/84/722018984.db2.gz	CGIWEUYOPPIFMH-UHFFFAOYSA-N	1	0	434.953	3.648	20	5		IHBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)C2	ZINC001164819448	720176750	/nfs/dbraw/zinc/17/67/50/720176750.db2.gz	XEQFKKQBMHLXIF-GBXCKJPGSA-N	1	0	437.544	3.545	20	5		IHBDRO
CCc1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164732086	720456299	/nfs/dbraw/zinc/45/62/99/720456299.db2.gz	MXGFMMWUGFDEGM-YADHBBJMSA-N	1	0	430.512	3.862	20	5		IHBDRO
Clc1ccc2ccc3ccc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)nc3c2n1	ZINC001164738256	720703443	/nfs/dbraw/zinc/70/34/43/720703443.db2.gz	ITJMVCCRNZKZID-MSOLQXFVSA-N	1	0	432.915	3.568	20	5		IHBDRO
Clc1ccc2ccc3ccc(N4CC[N@@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)nc3c2n1	ZINC001164738264	720703665	/nfs/dbraw/zinc/70/36/65/720703665.db2.gz	ITJMVCCRNZKZID-ROUUACIJSA-N	1	0	432.915	3.568	20	5		IHBDRO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl	ZINC001164896292	721522128	/nfs/dbraw/zinc/52/21/28/721522128.db2.gz	AVQZNIJZTWPGFX-HIFRSBDPSA-N	1	0	442.825	3.669	20	5		IHBDRO
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1	ZINC001164905308	721559365	/nfs/dbraw/zinc/55/93/65/721559365.db2.gz	GPJCKDULIVTHTC-MJGOQNOKSA-N	1	0	435.459	3.533	20	5		IHBDRO
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cnc5cc([N+](=O)[O-])ccc5n4)CC3)C2)cc1	ZINC001164940446	721922632	/nfs/dbraw/zinc/92/26/32/721922632.db2.gz	QLVNOMHZEMEYOW-UHFFFAOYSA-N	1	0	433.512	3.718	20	5		IHBDRO
O=[N+]([O-])c1ccc2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nc2c1	ZINC001164962324	722054779	/nfs/dbraw/zinc/05/47/79/722054779.db2.gz	CXFRNRNRQZKRFM-UHFFFAOYSA-N	1	0	433.512	3.657	20	5		IHBDRO
c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[C@H]3C2)c1	ZINC001164984348	722106855	/nfs/dbraw/zinc/10/68/55/722106855.db2.gz	SRSMRMATDPYBCG-GOTSBHOMSA-N	1	0	425.536	3.905	20	5		IHBDRO
CCOc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)ccc1[N+](=O)[O-]	ZINC001460424706	1126191257	/nfs/dbraw/zinc/19/12/57/1126191257.db2.gz	QOUPLLRBKYCZPQ-FQEVSTJZSA-N	1	0	435.318	3.766	20	5		IHBDRO
[NH3+]C1([C@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)C[C@@H]2CF)CC1	ZINC001164621545	719126122	/nfs/dbraw/zinc/12/61/22/719126122.db2.gz	MJYKZDNZPCILMC-FZMZJTMJSA-N	1	0	441.841	3.763	20	5		IHBDRO
Clc1ccc2ccc3ccc(N4CC[N@@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)nc3c2n1	ZINC001164738267	720705453	/nfs/dbraw/zinc/70/54/53/720705453.db2.gz	ITJMVCCRNZKZID-ZWKOTPCHSA-N	1	0	432.915	3.568	20	5		IHBDRO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)n1	ZINC001164760465	721047569	/nfs/dbraw/zinc/04/75/69/721047569.db2.gz	VEOREGKLXNLPLF-UHFFFAOYSA-N	1	0	438.528	3.967	20	5		IHBDRO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl	ZINC001164896291	721522365	/nfs/dbraw/zinc/52/23/65/721522365.db2.gz	AVQZNIJZTWPGFX-DZGCQCFKSA-N	1	0	442.825	3.669	20	5		IHBDRO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1	ZINC001164901356	721523599	/nfs/dbraw/zinc/52/35/99/721523599.db2.gz	WQZDCFCINDRCQL-WBVHZDCISA-N	1	0	443.866	3.672	20	5		IHBDRO
Cc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc2ccc([N+](=O)[O-])cc12	ZINC001164799087	721540071	/nfs/dbraw/zinc/54/00/71/721540071.db2.gz	AONHPJYNQYQMTF-WPFOTENUSA-N	1	0	433.512	3.715	20	5		IHBDRO
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1	ZINC001164904320	721700737	/nfs/dbraw/zinc/70/07/37/721700737.db2.gz	FOSWMVSURCWIKC-NRFANRHFSA-N	1	0	440.454	3.671	20	5		IHBDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@@H]21	ZINC001165018611	721806573	/nfs/dbraw/zinc/80/65/73/721806573.db2.gz	BQCOWZUROYYXFD-VHDGCEQUSA-N	1	0	437.331	3.824	20	5		IHBDRO
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cnc2Cl)c1	ZINC001164409329	718865868	/nfs/dbraw/zinc/86/58/68/718865868.db2.gz	PKOGRAJBYOWSHJ-RDTXWAMCSA-N	1	0	438.862	3.670	20	5		IHBDRO
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@H]4C3)cnc2Cl)c1	ZINC001164409327	718865882	/nfs/dbraw/zinc/86/58/82/718865882.db2.gz	PKOGRAJBYOWSHJ-KSSFIOAISA-N	1	0	438.862	3.670	20	5		IHBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C)c1[N+](=O)[O-])CC2	ZINC001164719526	720109702	/nfs/dbraw/zinc/10/97/02/720109702.db2.gz	YFZOSEVLFZUXOW-GOSISDBHSA-N	1	0	445.951	3.854	20	5		IHBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)C2	ZINC001164819450	720177593	/nfs/dbraw/zinc/17/75/93/720177593.db2.gz	XEQFKKQBMHLXIF-RDPSFJRHSA-N	1	0	437.544	3.545	20	5		IHBDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)C2	ZINC001164815310	720199071	/nfs/dbraw/zinc/19/90/71/720199071.db2.gz	YSFZYOQIBUBIBT-YADARESESA-N	1	0	440.519	3.981	20	5		IHBDRO
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3ccc4cccnc4c3n2)CC1	ZINC001164823176	720304963	/nfs/dbraw/zinc/30/49/63/720304963.db2.gz	PEOQNTGIPDVKGB-VXKWHMMOSA-N	1	0	429.568	3.695	20	5		IHBDRO
CC(C)[N@H+]1[C@@H]2CCN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164843261	720620579	/nfs/dbraw/zinc/62/05/79/720620579.db2.gz	XFBNNMKSQXDEMJ-XQBPLPMBSA-N	1	0	447.543	3.626	20	5		IHBDRO
c1ncn(C[C@H]2C[C@@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[C@H]3[N@@H+]2CC2CC2)n1	ZINC001164741506	720818976	/nfs/dbraw/zinc/81/89/76/720818976.db2.gz	NXGLETKYWPWVEC-DNVJHFABSA-N	1	0	439.567	3.754	20	5		IHBDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)[C@H]2C	ZINC001164858082	721021939	/nfs/dbraw/zinc/02/19/39/721021939.db2.gz	FXFHVXDKZNMTMU-ZDUSSCGKSA-N	1	0	429.912	3.809	20	5		IHBDRO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164867320	721077813	/nfs/dbraw/zinc/07/78/13/721077813.db2.gz	XULSDQHQCNZSEV-IRXDYDNUSA-N	1	0	439.903	3.671	20	5		IHBDRO
O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1-c1ccccc1	ZINC001164872654	721185192	/nfs/dbraw/zinc/18/51/92/721185192.db2.gz	HZZJUIIRRVQHMF-RTWAWAEBSA-N	1	0	431.496	3.532	20	5		IHBDRO
CN(C)/C=C\c1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ncc1[N+](=O)[O-]	ZINC001164796697	721500043	/nfs/dbraw/zinc/50/00/43/721500043.db2.gz	VLUCFUFRCPIHPS-WDZFZDKYSA-N	1	0	436.560	3.798	20	5		IHBDRO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl	ZINC001164896294	721521724	/nfs/dbraw/zinc/52/17/24/721521724.db2.gz	AVQZNIJZTWPGFX-ZFWWWQNUSA-N	1	0	442.825	3.669	20	5		IHBDRO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1	ZINC001164910288	721553001	/nfs/dbraw/zinc/55/30/01/721553001.db2.gz	WFBFKNRPGDPOBD-TZIWHRDSSA-N	1	0	435.459	3.533	20	5		IHBDRO
CC(C)Oc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-]	ZINC001164913123	721729229	/nfs/dbraw/zinc/72/92/29/721729229.db2.gz	TZWNWCTZKOYFMS-NRFANRHFSA-N	1	0	447.486	3.910	20	5		IHBDRO
CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1	ZINC001165028414	721803120	/nfs/dbraw/zinc/80/31/20/721803120.db2.gz	ZBEZNFTXGBSNDP-BPUTZDHNSA-N	1	0	448.980	3.892	20	5		IHBDRO
C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-]	ZINC001164928583	721863850	/nfs/dbraw/zinc/86/38/50/721863850.db2.gz	YSJLDARKONGHGV-IRXDYDNUSA-N	1	0	449.914	3.789	20	5		IHBDRO
Cc1ccc(-c2nc3sccc3c(N3CC[NH+](C[C@H]4CCCO4)CC3)n2)cc1[N+](=O)[O-]	ZINC001165039889	721918515	/nfs/dbraw/zinc/91/85/15/721918515.db2.gz	WTXTYUHNKQWCKT-QGZVFWFLSA-N	1	0	439.541	3.876	20	5		IHBDRO
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5ccc([N+](=O)[O-])cc54)CC3)C2)cc1	ZINC001164938902	721924995	/nfs/dbraw/zinc/92/49/95/721924995.db2.gz	AKCGMGDMSOAYNV-UHFFFAOYSA-N	1	0	433.512	3.718	20	5		IHBDRO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1	ZINC001164896887	721526070	/nfs/dbraw/zinc/52/60/70/721526070.db2.gz	CAGQQNMJOPOWJL-GOEBONIOSA-N	1	0	442.825	3.669	20	5		IHBDRO
O=[N+]([O-])c1ccc2ncc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2c1	ZINC001164907889	721586972	/nfs/dbraw/zinc/58/69/72/721586972.db2.gz	VTJQBPFDJZVWNI-OAQYLSRUSA-N	1	0	440.454	3.671	20	5		IHBDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@H]21	ZINC001165018608	721806599	/nfs/dbraw/zinc/80/65/99/721806599.db2.gz	BQCOWZUROYYXFD-BPLDGKMQSA-N	1	0	437.331	3.824	20	5		IHBDRO
COc1cc(C[NH2+][C@@H](CO)Cc2ccccc2C)c([N+](=O)[O-])cc1OCC(F)(F)F	ZINC001474114997	1126201920	/nfs/dbraw/zinc/20/19/20/1126201920.db2.gz	TUDMZRIMQRQIOK-MRXNPFEDSA-N	1	0	428.407	3.546	20	5		IHBDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2	ZINC001164711534	720096537	/nfs/dbraw/zinc/09/65/37/720096537.db2.gz	QLWNRROEKMKAEH-GOSISDBHSA-N	1	0	431.924	3.546	20	5		IHBDRO
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)CC[C@@H]21	ZINC001164843150	720599352	/nfs/dbraw/zinc/59/93/52/720599352.db2.gz	WYPSVGJJIQWABS-RRPUWOKSSA-N	1	0	447.543	3.626	20	5		IHBDRO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164898814	721523947	/nfs/dbraw/zinc/52/39/47/721523947.db2.gz	JKKGCTVLGXLLOF-GOEBONIOSA-N	1	0	443.866	3.672	20	5		IHBDRO
Cc1ccc(-c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164907359	721546598	/nfs/dbraw/zinc/54/65/98/721546598.db2.gz	NCVKLYNWUDPRNO-FPOVZHCZSA-N	1	0	449.486	3.841	20	5		IHBDRO
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1	ZINC001165022989	721842525	/nfs/dbraw/zinc/84/25/25/721842525.db2.gz	VERMAZSBHKOIHL-UHFFFAOYSA-N	1	0	425.489	3.589	20	5		IHBDRO