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	719059071	/nfs/dbraw/zinc/05/90/71/719059071.db2.gz	NSMJVYTUOBUHRP-AEFFLSMTSA-N	1	1	444.919	3.921	20	5		IHBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)ncc1[N+](=O)[O-])CC2	ZINC001164710580	720102375	/nfs/dbraw/zinc/10/23/75/720102375.db2.gz	JKHNFOKQASMTOX-QGZVFWFLSA-N	1	1	431.924	3.546	20	5		IHBDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)C2	ZINC001164815308	720198832	/nfs/dbraw/zinc/19/88/32/720198832.db2.gz	YSFZYOQIBUBIBT-NTKDMRAZSA-N	1	1	440.519	3.981	20	5		IHBDMO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)CC2	ZINC001164841730	720672863	/nfs/dbraw/zinc/67/28/63/720672863.db2.gz	PSJFUDZNAWKOJO-FQEVSTJZSA-N	1	1	433.512	3.798	20	5		IHBDMO
O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164899747	721523994	/nfs/dbraw/zinc/52/39/94/721523994.db2.gz	MCZGAEJZCUEXCP-JSGCOSHPSA-N	1	1	427.263	3.778	20	5		IHBDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12	ZINC001164810107	721541717	/nfs/dbraw/zinc/54/17/17/721541717.db2.gz	WZIZZADWTRAFMP-DJIMGWMZSA-N	1	1	438.315	3.560	20	5		IHBDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12	ZINC001164810107	721541718	/nfs/dbraw/zinc/54/17/18/721541718.db2.gz	WZIZZADWTRAFMP-DJIMGWMZSA-N	1	1	438.315	3.560	20	5		IHBDMO
O=[N+]([O-])c1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc2[nH]ccc21	ZINC001164907348	721715967	/nfs/dbraw/zinc/71/59/67/721715967.db2.gz	RCHLFDINKDKJPQ-FQEVSTJZSA-N	1	1	428.443	3.604	20	5		IHBDMO
CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn1)C2	ZINC001164910497	721760543	/nfs/dbraw/zinc/76/05/43/721760543.db2.gz	HCFUKIAIFMAUKH-VURMDHGXSA-N	1	1	448.527	3.705	20	5		IHBDMO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21	ZINC001164625913	719059207	/nfs/dbraw/zinc/05/92/07/719059207.db2.gz	NSMJVYTUOBUHRP-SJLPKXTDSA-N	1	1	444.919	3.921	20	5		IHBDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2	ZINC001164649727	719309297	/nfs/dbraw/zinc/30/92/97/719309297.db2.gz	XGVJMZHCNLJQLE-UHFFFAOYSA-N	1	1	428.871	3.590	20	5		IHBDMO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2	ZINC001164840327	720725291	/nfs/dbraw/zinc/72/52/91/720725291.db2.gz	PEMYWTFWVSICNG-LJQANCHMSA-N	1	1	433.512	3.798	20	5		IHBDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)[C@H]2C	ZINC001164857043	720938153	/nfs/dbraw/zinc/93/81/53/720938153.db2.gz	GCLHTHIUGNVPON-LBPRGKRZSA-N	1	1	428.871	3.806	20	5		IHBDMO
COc1cc2ncnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2cc1[N+](=O)[O-]	ZINC001164792246	721495905	/nfs/dbraw/zinc/49/59/05/721495905.db2.gz	LNPJWDBTBAJYPA-UHFFFAOYSA-N	1	1	448.527	3.823	20	5		IHBDMO
O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164907722	721530508	/nfs/dbraw/zinc/53/05/08/721530508.db2.gz	OFUMGGQHINLVPJ-JSGCOSHPSA-N	1	1	427.263	3.778	20	5		IHBDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@@H]12	ZINC001164799014	721550382	/nfs/dbraw/zinc/55/03/82/721550382.db2.gz	AIQZRAMEXYNHOE-HDMKZQKVSA-N	1	1	438.315	3.560	20	5		IHBDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@@H]12	ZINC001164799014	721550384	/nfs/dbraw/zinc/55/03/84/721550384.db2.gz	AIQZRAMEXYNHOE-HDMKZQKVSA-N	1	1	438.315	3.560	20	5		IHBDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)C2	ZINC001164909444	721748526	/nfs/dbraw/zinc/74/85/26/721748526.db2.gz	UFWPLPAQAZQKTK-UHFFFAOYSA-N	1	1	430.468	3.721	20	5		IHBDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)C2	ZINC001164909444	721748537	/nfs/dbraw/zinc/74/85/37/721748537.db2.gz	UFWPLPAQAZQKTK-UHFFFAOYSA-N	1	1	430.468	3.721	20	5		IHBDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3ccc([N+](=O)[O-])cc31)C2	ZINC001164909421	721751819	/nfs/dbraw/zinc/75/18/19/721751819.db2.gz	SDRFXZHOTZVDNS-UHFFFAOYSA-N	1	1	430.468	3.721	20	5		IHBDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3ccc([N+](=O)[O-])cc31)C2	ZINC001164909421	721751824	/nfs/dbraw/zinc/75/18/24/721751824.db2.gz	SDRFXZHOTZVDNS-UHFFFAOYSA-N	1	1	430.468	3.721	20	5		IHBDMO
CSc1nc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-]	ZINC001165025939	721815123	/nfs/dbraw/zinc/81/51/23/721815123.db2.gz	OJXCIEBNGHYOBV-NUEKZKHPSA-N	1	1	448.980	3.892	20	5		IHBDMO
Cc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc2ccc([N+](=O)[O-])cc12	ZINC001164960538	722053958	/nfs/dbraw/zinc/05/39/58/722053958.db2.gz	RQSGFIKTXVTMBV-UHFFFAOYSA-N	1	1	447.539	3.965	20	5		IHBDMO
Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164982162	722107124	/nfs/dbraw/zinc/10/71/24/722107124.db2.gz	MZHOEALNAGHFAG-WMZHIEFXSA-N	1	1	433.512	3.574	20	5		IHBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1	ZINC001164994024	722204145	/nfs/dbraw/zinc/20/41/45/722204145.db2.gz	CZDKVMWRZNBTFS-QFIPXVFZSA-N	1	1	428.464	3.551	20	5		IHBDMO
O=[N+]([O-])c1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1Br	ZINC001308040926	1126162975	/nfs/dbraw/zinc/16/29/75/1126162975.db2.gz	XYJRCWPCUOADOA-BBRMVZONSA-N	1	1	433.224	3.981	20	5		IHBDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2	ZINC001164653382	719317998	/nfs/dbraw/zinc/31/79/98/719317998.db2.gz	MIIHQRXXLAEHTM-UHFFFAOYSA-N	1	1	429.912	3.593	20	5		IHBDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn1)C2	ZINC001164815574	720149689	/nfs/dbraw/zinc/14/96/89/720149689.db2.gz	IJKHUSIMHOXLOF-HYBUGGRVSA-N	1	1	437.544	3.545	20	5		IHBDMO
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	720537329	/nfs/dbraw/zinc/53/73/29/720537329.db2.gz	DGSLFMDVVDTCHJ-DZKIICNBSA-N	1	1	439.347	3.871	20	5		IHBDMO
Cc1nc(Cl)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-]	ZINC001164837526	720659683	/nfs/dbraw/zinc/65/96/83/720659683.db2.gz	CGGNSEBOTWPDAC-QGZVFWFLSA-N	1	1	431.924	3.607	20	5		IHBDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5ccc6cccnc6c5n4)C3)O2)CC1	ZINC001164887929	721395103	/nfs/dbraw/zinc/39/51/03/721395103.db2.gz	IXZVGLBMGBLKRI-ATIYNZHBSA-N	1	1	431.584	3.548	20	5		IHBDMO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1	ZINC001164896888	721526229	/nfs/dbraw/zinc/52/62/29/721526229.db2.gz	CAGQQNMJOPOWJL-HOCLYGCPSA-N	1	1	442.825	3.669	20	5		IHBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)ncc1[N+](=O)[O-])CC2	ZINC001164710578	720103557	/nfs/dbraw/zinc/10/35/57/720103557.db2.gz	JKHNFOKQASMTOX-KRWDZBQOSA-N	1	1	431.924	3.546	20	5		IHBDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn1)C2	ZINC001164815576	720148646	/nfs/dbraw/zinc/14/86/46/720148646.db2.gz	IJKHUSIMHOXLOF-YKSBVNFPSA-N	1	1	437.544	3.545	20	5		IHBDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3ccc4cccnc4c3n1)CCC2	ZINC001164814199	720216107	/nfs/dbraw/zinc/21/61/07/720216107.db2.gz	UFCPHGOACYXPQT-UHFFFAOYSA-N	1	1	428.540	3.590	20	5		IHBDMO
COc1cc(C)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-]	ZINC001164841021	720688172	/nfs/dbraw/zinc/68/81/72/720688172.db2.gz	HACZVZUDHYHSTO-IBGZPJMESA-N	1	1	426.517	3.567	20	5		IHBDMO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164898622	721523633	/nfs/dbraw/zinc/52/36/33/721523633.db2.gz	JKKGCTVLGXLLOF-GDBMZVCRSA-N	1	1	443.866	3.672	20	5		IHBDMO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1	ZINC001164906752	721566829	/nfs/dbraw/zinc/56/68/29/721566829.db2.gz	KQLVNINHXJXWIX-RDJZCZTQSA-N	1	1	443.866	3.672	20	5		IHBDMO
O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC001165036322	721909733	/nfs/dbraw/zinc/90/97/33/721909733.db2.gz	ASPGODQOBJVAAW-OAHLLOKOSA-N	1	1	436.871	3.876	20	5		IHBDMO
O=[N+]([O-])c1ccc2ccnc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1	ZINC001164959968	722058794	/nfs/dbraw/zinc/05/87/94/722058794.db2.gz	AVXCXRAAHGIYFB-UHFFFAOYSA-N	1	1	433.512	3.657	20	5		IHBDMO
O=[N+]([O-])c1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1Br	ZINC001308040928	1126162958	/nfs/dbraw/zinc/16/29/58/1126162958.db2.gz	XYJRCWPCUOADOA-CZUORRHYSA-N	1	1	433.224	3.981	20	5		IHBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2	ZINC001164710759	720095656	/nfs/dbraw/zinc/09/56/56/720095656.db2.gz	MAZJPHZAULQFKT-GOSISDBHSA-N	1	1	431.924	3.546	20	5		IHBDMO
Cc1nc(Cl)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-]	ZINC001164837525	720659174	/nfs/dbraw/zinc/65/91/74/720659174.db2.gz	CGGNSEBOTWPDAC-KRWDZBQOSA-N	1	1	431.924	3.607	20	5		IHBDMO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)CC2	ZINC001164841733	720672186	/nfs/dbraw/zinc/67/21/86/720672186.db2.gz	PSJFUDZNAWKOJO-HXUWFJFHSA-N	1	1	433.512	3.798	20	5		IHBDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])[C@@H]2C	ZINC001164862389	721005422	/nfs/dbraw/zinc/00/54/22/721005422.db2.gz	SEUCDGDVLDHVHP-SNVBAGLBSA-N	1	1	447.849	3.675	20	5		IHBDMO
Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164861684	721008664	/nfs/dbraw/zinc/00/86/64/721008664.db2.gz	PGBUFAJBDLHMEU-KRWDZBQOSA-N	1	1	435.532	3.978	20	5		IHBDMO
Cc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc2ccc([N+](=O)[O-])cc12	ZINC001164799079	721540201	/nfs/dbraw/zinc/54/02/01/721540201.db2.gz	AONHPJYNQYQMTF-AOHZBQACSA-N	1	1	433.512	3.715	20	5		IHBDMO
CSc1nc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-]	ZINC001165025936	721814805	/nfs/dbraw/zinc/81/48/05/721814805.db2.gz	OJXCIEBNGHYOBV-BPUTZDHNSA-N	1	1	448.980	3.892	20	5		IHBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1	ZINC001164994023	722204325	/nfs/dbraw/zinc/20/43/25/722204325.db2.gz	CZDKVMWRZNBTFS-JOCHJYFZSA-N	1	1	428.464	3.551	20	5		IHBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])CC2	ZINC001164719085	720111230	/nfs/dbraw/zinc/11/12/30/720111230.db2.gz	VPRICLCBZABOFL-SFHVURJKSA-N	1	1	445.951	3.854	20	5		IHBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2	ZINC001164717419	720123604	/nfs/dbraw/zinc/12/36/04/720123604.db2.gz	OTJISPZWXORCKH-FQEVSTJZSA-N	1	1	425.533	3.509	20	5		IHBDMO
CCc1cc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164732065	720456312	/nfs/dbraw/zinc/45/63/12/720456312.db2.gz	MXGFMMWUGFDEGM-FCHUYYIVSA-N	1	1	430.512	3.862	20	5		IHBDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)[C@@H]2C	ZINC001164858712	720944849	/nfs/dbraw/zinc/94/48/49/720944849.db2.gz	KLPJKEQDSBLREW-CYBMUJFWSA-N	1	1	429.912	3.809	20	5		IHBDMO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ccc21	ZINC001164867429	721102903	/nfs/dbraw/zinc/10/29/03/721102903.db2.gz	YKYGWIDOUGHKBC-IRXDYDNUSA-N	1	1	439.903	3.671	20	5		IHBDMO
O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1-c1ccccc1	ZINC001164872651	721184166	/nfs/dbraw/zinc/18/41/66/721184166.db2.gz	HZZJUIIRRVQHMF-NHCUHLMSSA-N	1	1	431.496	3.532	20	5		IHBDMO
O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1-c1ccc(F)cc1	ZINC001164867883	721187323	/nfs/dbraw/zinc/18/73/23/721187323.db2.gz	IXBYXVXWKMYTQJ-SFTDATJTSA-N	1	1	449.486	3.671	20	5		IHBDMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C)c3[N+](=O)[O-])C2)C1	ZINC001164779375	721344475	/nfs/dbraw/zinc/34/44/75/721344475.db2.gz	SUBFSRYFROVNIH-OAQYLSRUSA-N	1	1	449.939	3.675	20	5		IHBDMO
Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C)c3[N+](=O)[O-])C2)C1	ZINC001164779375	721344477	/nfs/dbraw/zinc/34/44/77/721344477.db2.gz	SUBFSRYFROVNIH-OAQYLSRUSA-N	1	1	449.939	3.675	20	5		IHBDMO
O=[N+]([O-])c1ccc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1-c1ccc(F)cc1	ZINC001164789697	721437758	/nfs/dbraw/zinc/43/77/58/721437758.db2.gz	WKBBVEYFKPFQCK-HZPDHXFCSA-N	1	1	425.489	3.821	20	5		IHBDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21	ZINC001164799026	721550363	/nfs/dbraw/zinc/55/03/63/721550363.db2.gz	AIQZRAMEXYNHOE-RKVPGOIHSA-N	1	1	438.315	3.560	20	5		IHBDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21	ZINC001164799026	721550365	/nfs/dbraw/zinc/55/03/65/721550365.db2.gz	AIQZRAMEXYNHOE-RKVPGOIHSA-N	1	1	438.315	3.560	20	5		IHBDMO
CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C2	ZINC001164910496	721761041	/nfs/dbraw/zinc/76/10/41/721761041.db2.gz	HCFUKIAIFMAUKH-SOFGYWHQSA-N	1	1	448.527	3.705	20	5		IHBDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@H]21	ZINC001165018609	721806398	/nfs/dbraw/zinc/80/63/98/721806398.db2.gz	BQCOWZUROYYXFD-NWANDNLSSA-N	1	1	437.331	3.824	20	5		IHBDMO
O=[N+]([O-])c1cccc2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc21	ZINC001164962226	722055421	/nfs/dbraw/zinc/05/54/21/722055421.db2.gz	BQLWPTJUNLOWII-UHFFFAOYSA-N	1	1	433.512	3.657	20	5		IHBDMO
Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164982146	722106975	/nfs/dbraw/zinc/10/69/75/722106975.db2.gz	MZHOEALNAGHFAG-AUSIDOKSSA-N	1	1	433.512	3.574	20	5		IHBDMO
CN(C)/C=C\c1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-]	ZINC001164995310	722207576	/nfs/dbraw/zinc/20/75/76/722207576.db2.gz	MDNKWVRPOQWSSD-RRZSJFKKSA-N	1	1	425.508	3.906	20	5		IHBDMO
Cc1cc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164652088	719315871	/nfs/dbraw/zinc/31/58/71/719315871.db2.gz	NLXGESQPACWFIW-UHFFFAOYSA-N	1	1	435.532	3.762	20	5		IHBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)cc([N+](=O)[O-])n1)CC2	ZINC001164718008	720111292	/nfs/dbraw/zinc/11/12/92/720111292.db2.gz	QAMHFLSXRLIIII-GOSISDBHSA-N	1	1	431.924	3.546	20	5		IHBDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)[C@H]2C	ZINC001164858286	720924373	/nfs/dbraw/zinc/92/43/73/720924373.db2.gz	MOXMNCHJLNQECH-LBPRGKRZSA-N	1	1	428.871	3.806	20	5		IHBDMO
Cc1ccc(-c2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)nn2)cc1[N+](=O)[O-]	ZINC001164862720	720985146	/nfs/dbraw/zinc/98/51/46/720985146.db2.gz	UDJBBAFTZPCPDB-QGZVFWFLSA-N	1	1	435.532	3.978	20	5		IHBDMO
Cc1ccc(-c2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)nn2)cc1[N+](=O)[O-]	ZINC001164862718	720985259	/nfs/dbraw/zinc/98/52/59/720985259.db2.gz	UDJBBAFTZPCPDB-KRWDZBQOSA-N	1	1	435.532	3.978	20	5		IHBDMO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ccc21	ZINC001164867427	721102264	/nfs/dbraw/zinc/10/22/64/721102264.db2.gz	YKYGWIDOUGHKBC-IAGOWNOFSA-N	1	1	439.903	3.671	20	5		IHBDMO
O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1-c1ccc(F)cc1	ZINC001164867880	721186909	/nfs/dbraw/zinc/18/69/09/721186909.db2.gz	IXBYXVXWKMYTQJ-LEWJYISDSA-N	1	1	449.486	3.671	20	5		IHBDMO
CCc1cc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164782119	721430763	/nfs/dbraw/zinc/43/07/63/721430763.db2.gz	GLVRNBPTJSPJEX-CALCHBBNSA-N	1	1	436.541	3.639	20	5		IHBDMO
CCc1cc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164782119	721430765	/nfs/dbraw/zinc/43/07/65/721430765.db2.gz	GLVRNBPTJSPJEX-CALCHBBNSA-N	1	1	436.541	3.639	20	5		IHBDMO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1	ZINC001164901350	721523934	/nfs/dbraw/zinc/52/39/34/721523934.db2.gz	WQZDCFCINDRCQL-DOTOQJQBSA-N	1	1	443.866	3.672	20	5		IHBDMO
O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164907720	721530243	/nfs/dbraw/zinc/53/02/43/721530243.db2.gz	OFUMGGQHINLVPJ-GXTWGEPZSA-N	1	1	427.263	3.778	20	5		IHBDMO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1	ZINC001164910278	721552905	/nfs/dbraw/zinc/55/29/05/721552905.db2.gz	WFBFKNRPGDPOBD-CTNGQTDRSA-N	1	1	435.459	3.533	20	5		IHBDMO
O=[N+]([O-])c1cccc2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c21	ZINC001164913822	721734475	/nfs/dbraw/zinc/73/44/75/721734475.db2.gz	YGOJWGCBWXHWMP-NRFANRHFSA-N	1	1	440.454	3.671	20	5		IHBDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3cccc([N+](=O)[O-])c31)C2	ZINC001164909532	721764807	/nfs/dbraw/zinc/76/48/07/721764807.db2.gz	BTFFJXNLBMVYHH-UHFFFAOYSA-N	1	1	430.468	3.721	20	5		IHBDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3cccc([N+](=O)[O-])c31)C2	ZINC001164909532	721764814	/nfs/dbraw/zinc/76/48/14/721764814.db2.gz	BTFFJXNLBMVYHH-UHFFFAOYSA-N	1	1	430.468	3.721	20	5		IHBDMO
CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1	ZINC001165028421	721803137	/nfs/dbraw/zinc/80/31/37/721803137.db2.gz	ZBEZNFTXGBSNDP-CWRNSKLLSA-N	1	1	448.980	3.892	20	5		IHBDMO
O=[N+]([O-])c1cccc2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ccc21	ZINC001164964721	722055763	/nfs/dbraw/zinc/05/57/63/722055763.db2.gz	XFEDLSWJRQONCZ-UHFFFAOYSA-N	1	1	433.512	3.657	20	5		IHBDMO
Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164982182	722107241	/nfs/dbraw/zinc/10/72/41/722107241.db2.gz	MZHOEALNAGHFAG-XXBNENTESA-N	1	1	433.512	3.574	20	5		IHBDMO
O=[N+]([O-])c1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1Br	ZINC001308040929	1126162945	/nfs/dbraw/zinc/16/29/45/1126162945.db2.gz	XYJRCWPCUOADOA-XJKSGUPXSA-N	1	1	433.224	3.981	20	5		IHBDMO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21	ZINC001164625918	719059562	/nfs/dbraw/zinc/05/95/62/719059562.db2.gz	NSMJVYTUOBUHRP-WMZOPIPTSA-N	1	1	444.919	3.921	20	5		IHBDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])C2	ZINC001164810500	720105361	/nfs/dbraw/zinc/10/53/61/720105361.db2.gz	JYAVECKYQRINRS-KSFYIVLOSA-N	1	1	430.936	3.981	20	5		IHBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)cc(Cl)c1[N+](=O)[O-])CC2	ZINC001164714188	720110561	/nfs/dbraw/zinc/11/05/61/720110561.db2.gz	ALCNGXAWWUBYRN-SFHVURJKSA-N	1	1	445.951	3.854	20	5		IHBDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164836675	720523677	/nfs/dbraw/zinc/52/36/77/720523677.db2.gz	NKWSMOBCPVKFRG-OFQRWUPVSA-N	1	1	439.347	3.871	20	5		IHBDMO
O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1-c1ccc(F)cc1	ZINC001164867882	721186336	/nfs/dbraw/zinc/18/63/36/721186336.db2.gz	IXBYXVXWKMYTQJ-RTWAWAEBSA-N	1	1	449.486	3.671	20	5		IHBDMO
O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164867511	721187215	/nfs/dbraw/zinc/18/72/15/721187215.db2.gz	GPUXPPZRNBUZHK-QZTJIDSGSA-N	1	1	439.903	3.671	20	5		IHBDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21	ZINC001164810109	721541756	/nfs/dbraw/zinc/54/17/56/721541756.db2.gz	WZIZZADWTRAFMP-OIISXLGYSA-N	1	1	438.315	3.560	20	5		IHBDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21	ZINC001164810109	721541759	/nfs/dbraw/zinc/54/17/59/721541759.db2.gz	WZIZZADWTRAFMP-OIISXLGYSA-N	1	1	438.315	3.560	20	5		IHBDMO
O=[N+]([O-])c1ccc2ncnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1	ZINC001164907475	721700058	/nfs/dbraw/zinc/70/00/58/721700058.db2.gz	UDEIHPYBHRXVOA-NRFANRHFSA-N	1	1	440.454	3.671	20	5		IHBDMO
Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5cccc([N+](=O)[O-])c54)CC3)C2)cc1	ZINC001164944241	721933245	/nfs/dbraw/zinc/93/32/45/721933245.db2.gz	RRPQYKCWQYJWOE-UHFFFAOYSA-N	1	1	433.512	3.718	20	5		IHBDMO
O=[N+]([O-])c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1-c1ccccc1	ZINC001164971718	722154904	/nfs/dbraw/zinc/15/49/04/722154904.db2.gz	DPXXJAVXTINHRC-FYYLOGMGSA-N	1	1	445.523	3.779	20	5		IHBDMO
CCOC(=O)c1ccnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-]	ZINC001164995716	722212233	/nfs/dbraw/zinc/21/22/33/722212233.db2.gz	KDIJCQYRCUSYPF-JOCHJYFZSA-N	1	1	428.464	3.551	20	5		IHBDMO
O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC001308033171	1126162307	/nfs/dbraw/zinc/16/23/07/1126162307.db2.gz	GGNFXHFCAWJLDP-GDBMZVCRSA-N	1	1	433.224	3.981	20	5		IHBDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])C2	ZINC001164810498	720106123	/nfs/dbraw/zinc/10/61/23/720106123.db2.gz	JYAVECKYQRINRS-AOMKIAJQSA-N	1	1	430.936	3.981	20	5		IHBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2	ZINC001164717421	720123523	/nfs/dbraw/zinc/12/35/23/720123523.db2.gz	OTJISPZWXORCKH-HXUWFJFHSA-N	1	1	425.533	3.509	20	5		IHBDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)C2	ZINC001164813204	720129500	/nfs/dbraw/zinc/12/95/00/720129500.db2.gz	PTXKMJDIZDPZOV-ZHRRBRCNSA-N	1	1	430.936	3.981	20	5		IHBDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)C2	ZINC001164815305	720198766	/nfs/dbraw/zinc/19/87/66/720198766.db2.gz	YSFZYOQIBUBIBT-CYFREDJKSA-N	1	1	440.519	3.981	20	5		IHBDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)CC[C@@H]21	ZINC001164843149	720599052	/nfs/dbraw/zinc/59/90/52/720599052.db2.gz	WYPSVGJJIQWABS-NWSQWKLXSA-N	1	1	447.543	3.626	20	5		IHBDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])[C@@H]2C	ZINC001164859797	720943061	/nfs/dbraw/zinc/94/30/61/720943061.db2.gz	NORRAPIMVNNTTN-CYBMUJFWSA-N	1	1	429.912	3.809	20	5		IHBDMO
O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1-c1ccccc1	ZINC001164872657	721184821	/nfs/dbraw/zinc/18/48/21/721184821.db2.gz	HZZJUIIRRVQHMF-SFTDATJTSA-N	1	1	431.496	3.532	20	5		IHBDMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C)c3[N+](=O)[O-])C2)C1	ZINC001164779372	721344347	/nfs/dbraw/zinc/34/43/47/721344347.db2.gz	SUBFSRYFROVNIH-NRFANRHFSA-N	1	1	449.939	3.675	20	5		IHBDMO
Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C)c3[N+](=O)[O-])C2)C1	ZINC001164779372	721344348	/nfs/dbraw/zinc/34/43/48/721344348.db2.gz	SUBFSRYFROVNIH-NRFANRHFSA-N	1	1	449.939	3.675	20	5		IHBDMO
O=[N+]([O-])c1ccc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc1-c1ccc(F)cc1	ZINC001164789696	721437923	/nfs/dbraw/zinc/43/79/23/721437923.db2.gz	WKBBVEYFKPFQCK-HOTGVXAUSA-N	1	1	425.489	3.821	20	5		IHBDMO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1	ZINC001164906755	721566803	/nfs/dbraw/zinc/56/68/03/721566803.db2.gz	KQLVNINHXJXWIX-WBVHZDCISA-N	1	1	443.866	3.672	20	5		IHBDMO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1	ZINC001164954073	722013855	/nfs/dbraw/zinc/01/38/55/722013855.db2.gz	IBBKOBBRSPDWQY-UHFFFAOYSA-N	1	1	434.953	3.648	20	5		IHBDMO
c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[C@@H]3C2)c1	ZINC001164984346	722107087	/nfs/dbraw/zinc/10/70/87/722107087.db2.gz	SRSMRMATDPYBCG-DHIUTWEWSA-N	1	1	425.536	3.905	20	5		IHBDMO
O=[N+]([O-])c1ccc(Br)c(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1	ZINC001620533890	1126240344	/nfs/dbraw/zinc/24/03/44/1126240344.db2.gz	BPNJWKPNZIZGLF-HOTGVXAUSA-N	1	1	433.224	3.981	20	5		IHBDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])C2	ZINC001164810504	720106094	/nfs/dbraw/zinc/10/60/94/720106094.db2.gz	JYAVECKYQRINRS-ZHRRBRCNSA-N	1	1	430.936	3.981	20	5		IHBDMO
O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nn2)ccc1Cl	ZINC001164731082	720467140	/nfs/dbraw/zinc/46/71/40/720467140.db2.gz	VNSSYXXBAWYYLE-WOJBJXKFSA-N	1	1	436.903	3.953	20	5		IHBDMO
O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164907724	721531362	/nfs/dbraw/zinc/53/13/62/721531362.db2.gz	OFUMGGQHINLVPJ-OCCSQVGLSA-N	1	1	427.263	3.778	20	5		IHBDMO
O=[N+]([O-])c1cccc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c21	ZINC001164913823	721734151	/nfs/dbraw/zinc/73/41/51/721734151.db2.gz	YGOJWGCBWXHWMP-OAQYLSRUSA-N	1	1	440.454	3.671	20	5		IHBDMO
c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[C@H]3C2)c1	ZINC001164984352	722107042	/nfs/dbraw/zinc/10/70/42/722107042.db2.gz	SRSMRMATDPYBCG-XZOQPEGZSA-N	1	1	425.536	3.905	20	5		IHBDMO
CCOC(=O)c1ccnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1[N+](=O)[O-]	ZINC001164691322	719815622	/nfs/dbraw/zinc/81/56/22/719815622.db2.gz	FZHOGAGHNCRWMN-UHFFFAOYSA-N	1	1	445.545	3.566	20	5		IHBDMO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1	ZINC001164837518	720670403	/nfs/dbraw/zinc/67/04/03/720670403.db2.gz	CAVWVLFIJAZLAB-QGZVFWFLSA-N	1	1	431.924	3.607	20	5		IHBDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)[C@@H]2C	ZINC001164863214	720945855	/nfs/dbraw/zinc/94/58/55/720945855.db2.gz	YVVPICSHABVVCM-GFCCVEGCSA-N	1	1	428.871	3.806	20	5		IHBDMO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164867321	721077493	/nfs/dbraw/zinc/07/74/93/721077493.db2.gz	XULSDQHQCNZSEV-SJORKVTESA-N	1	1	439.903	3.671	20	5		IHBDMO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1Cl	ZINC001164900686	721512385	/nfs/dbraw/zinc/51/23/85/721512385.db2.gz	SZGZGCUIFBCHCE-GOEBONIOSA-N	1	1	442.825	3.669	20	5		IHBDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]12	ZINC001164810111	721541472	/nfs/dbraw/zinc/54/14/72/721541472.db2.gz	WZIZZADWTRAFMP-USXIJHARSA-N	1	1	438.315	3.560	20	5		IHBDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]12	ZINC001164810111	721541476	/nfs/dbraw/zinc/54/14/76/721541476.db2.gz	WZIZZADWTRAFMP-USXIJHARSA-N	1	1	438.315	3.560	20	5		IHBDMO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1	ZINC001164908389	721748196	/nfs/dbraw/zinc/74/81/96/721748196.db2.gz	HNRJZIHXSURFME-UHFFFAOYSA-N	1	1	428.880	3.529	20	5		IHBDMO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1	ZINC001164908389	721748198	/nfs/dbraw/zinc/74/81/98/721748198.db2.gz	HNRJZIHXSURFME-UHFFFAOYSA-N	1	1	428.880	3.529	20	5		IHBDMO
CSc1nc(Cl)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-]	ZINC001165025938	721814842	/nfs/dbraw/zinc/81/48/42/721814842.db2.gz	OJXCIEBNGHYOBV-IMJJTQAJSA-N	1	1	448.980	3.892	20	5		IHBDMO
CN(C)/C=C\c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001165023924	721823089	/nfs/dbraw/zinc/82/30/89/721823089.db2.gz	ITGCDSMIKAKKIH-COFBHOFOSA-N	1	1	436.560	3.654	20	5		IHBDMO
c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[C@@H]3C2)c1	ZINC001164984350	722107156	/nfs/dbraw/zinc/10/71/56/722107156.db2.gz	SRSMRMATDPYBCG-PKTZIBPZSA-N	1	1	425.536	3.905	20	5		IHBDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn1)C2	ZINC001164815575	720148974	/nfs/dbraw/zinc/14/89/74/720148974.db2.gz	IJKHUSIMHOXLOF-RDPSFJRHSA-N	1	1	437.544	3.545	20	5		IHBDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)C2	ZINC001164819452	720177154	/nfs/dbraw/zinc/17/71/54/720177154.db2.gz	XEQFKKQBMHLXIF-YKSBVNFPSA-N	1	1	437.544	3.545	20	5		IHBDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)C2	ZINC001164819449	720177407	/nfs/dbraw/zinc/17/74/07/720177407.db2.gz	XEQFKKQBMHLXIF-HYBUGGRVSA-N	1	1	437.544	3.545	20	5		IHBDMO
O=[N+]([O-])c1cc(-c2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nn2)ccc1Cl	ZINC001164731079	720466156	/nfs/dbraw/zinc/46/61/56/720466156.db2.gz	VNSSYXXBAWYYLE-PMACEKPBSA-N	1	1	436.903	3.953	20	5		IHBDMO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3ccc([N+](=O)[O-])cc31)CC2	ZINC001164840394	720685671	/nfs/dbraw/zinc/68/56/71/720685671.db2.gz	DLIHXFAWSWQSAU-FQEVSTJZSA-N	1	1	433.512	3.798	20	5		IHBDMO
Clc1ccc2ccc3ccc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)nc3c2n1	ZINC001164738260	720702996	/nfs/dbraw/zinc/70/29/96/720702996.db2.gz	ITJMVCCRNZKZID-QZTJIDSGSA-N	1	1	432.915	3.568	20	5		IHBDMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)cc(Cl)c3[N+](=O)[O-])C2)C1	ZINC001164776182	721345075	/nfs/dbraw/zinc/34/50/75/721345075.db2.gz	AJOFZKROVFUDMK-OAQYLSRUSA-N	1	1	449.939	3.675	20	5		IHBDMO
Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)cc(Cl)c3[N+](=O)[O-])C2)C1	ZINC001164776182	721345077	/nfs/dbraw/zinc/34/50/77/721345077.db2.gz	AJOFZKROVFUDMK-OAQYLSRUSA-N	1	1	449.939	3.675	20	5		IHBDMO
O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc1-c1ccc(F)cc1	ZINC001164789699	721437464	/nfs/dbraw/zinc/43/74/64/721437464.db2.gz	WKBBVEYFKPFQCK-IYBDPMFKSA-N	1	1	425.489	3.821	20	5		IHBDMO
O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc1-c1ccc(F)cc1	ZINC001164789699	721437467	/nfs/dbraw/zinc/43/74/67/721437467.db2.gz	WKBBVEYFKPFQCK-IYBDPMFKSA-N	1	1	425.489	3.821	20	5		IHBDMO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1	ZINC001164901352	721523430	/nfs/dbraw/zinc/52/34/30/721523430.db2.gz	WQZDCFCINDRCQL-NVXWUHKLSA-N	1	1	443.866	3.672	20	5		IHBDMO
O=[N+]([O-])c1ccc2ncnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1	ZINC001164907476	721700409	/nfs/dbraw/zinc/70/04/09/721700409.db2.gz	UDEIHPYBHRXVOA-OAQYLSRUSA-N	1	1	440.454	3.671	20	5		IHBDMO
CN(C)/C=C/c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001165023927	721823221	/nfs/dbraw/zinc/82/32/21/721823221.db2.gz	ITGCDSMIKAKKIH-CZTLWLOHSA-N	1	1	436.560	3.654	20	5		IHBDMO
Cc1ccc(C[N@H+]2CCOC3(CCN(c4cnc5ccc([N+](=O)[O-])cc5n4)CC3)C2)cc1	ZINC001164939785	721922078	/nfs/dbraw/zinc/92/20/78/721922078.db2.gz	NBHUIELRJNPAOW-UHFFFAOYSA-N	1	1	433.512	3.718	20	5		IHBDMO
Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164982158	722107077	/nfs/dbraw/zinc/10/70/77/722107077.db2.gz	MZHOEALNAGHFAG-CVDCTZTESA-N	1	1	433.512	3.574	20	5		IHBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])cc(Cl)n1)CC2	ZINC001164710708	720095833	/nfs/dbraw/zinc/09/58/33/720095833.db2.gz	LHAHGTLIOVKYBL-GOSISDBHSA-N	1	1	431.924	3.546	20	5		IHBDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])C2	ZINC001164810502	720106640	/nfs/dbraw/zinc/10/66/40/720106640.db2.gz	JYAVECKYQRINRS-OPAMFIHVSA-N	1	1	430.936	3.981	20	5		IHBDMO
CCOc1nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1[N+](=O)[O-]	ZINC001164840314	720703746	/nfs/dbraw/zinc/70/37/46/720703746.db2.gz	PANZOGUXXXOLOC-IBGZPJMESA-N	1	1	426.517	3.648	20	5		IHBDMO
O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1	ZINC001164879795	721146848	/nfs/dbraw/zinc/14/68/48/721146848.db2.gz	UFDAEMAZTUVAND-MSOLQXFVSA-N	1	1	439.903	3.671	20	5		IHBDMO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl	ZINC001164896293	721521893	/nfs/dbraw/zinc/52/18/93/721521893.db2.gz	AVQZNIJZTWPGFX-UKRRQHHQSA-N	1	1	442.825	3.669	20	5		IHBDMO
Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164911002	721557683	/nfs/dbraw/zinc/55/76/83/721557683.db2.gz	XWNDHWAFOMJULQ-IRLDBZIGSA-N	1	1	449.486	3.841	20	5		IHBDMO
O=[N+]([O-])c1ccc2nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)cnc2c1	ZINC001164907077	721693247	/nfs/dbraw/zinc/69/32/47/721693247.db2.gz	QXSBIHOXFRCXKH-NRFANRHFSA-N	1	1	440.454	3.671	20	5		IHBDMO
CC(C)Oc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC001165024439	721826293	/nfs/dbraw/zinc/82/62/93/721826293.db2.gz	JVUKMDRYHGWXNM-DFQSSKMNSA-N	1	1	425.533	3.909	20	5		IHBDMO
O=[N+]([O-])c1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1Br	ZINC001308040927	1126162989	/nfs/dbraw/zinc/16/29/89/1126162989.db2.gz	XYJRCWPCUOADOA-CJNGLKHVSA-N	1	1	433.224	3.981	20	5		IHBDMO
Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)CC3)cs1	ZINC001164691552	719813202	/nfs/dbraw/zinc/81/32/02/719813202.db2.gz	GYWOZSDUYZDJCS-BJMVGYQFSA-N	1	1	442.589	3.922	20	5		IHBDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)C2	ZINC001164813202	720128957	/nfs/dbraw/zinc/12/89/57/720128957.db2.gz	PTXKMJDIZDPZOV-KSFYIVLOSA-N	1	1	430.936	3.981	20	5		IHBDMO
CCc1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164732078	720456702	/nfs/dbraw/zinc/45/67/02/720456702.db2.gz	MXGFMMWUGFDEGM-VXKWHMMOSA-N	1	1	430.512	3.862	20	5		IHBDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164834283	720537553	/nfs/dbraw/zinc/53/75/53/720537553.db2.gz	DGSLFMDVVDTCHJ-OFQRWUPVSA-N	1	1	439.347	3.871	20	5		IHBDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1	ZINC001164834282	720537928	/nfs/dbraw/zinc/53/79/28/720537928.db2.gz	DGSLFMDVVDTCHJ-IJEWVQPXSA-N	1	1	439.347	3.871	20	5		IHBDMO
COCC[N@H+]1CCO[C@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)CC[C@@H]2C1	ZINC001164858874	720857424	/nfs/dbraw/zinc/85/74/24/720857424.db2.gz	SEDQOVZPSJVCSZ-MOPGFXCFSA-N	1	1	426.948	3.610	20	5		IHBDMO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ccc21	ZINC001164867431	721103481	/nfs/dbraw/zinc/10/34/81/721103481.db2.gz	YKYGWIDOUGHKBC-SJORKVTESA-N	1	1	439.903	3.671	20	5		IHBDMO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1Cl	ZINC001164900688	721512562	/nfs/dbraw/zinc/51/25/62/721512562.db2.gz	SZGZGCUIFBCHCE-ZBFHGGJFSA-N	1	1	442.825	3.669	20	5		IHBDMO
O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164899748	721523487	/nfs/dbraw/zinc/52/34/87/721523487.db2.gz	MCZGAEJZCUEXCP-OCCSQVGLSA-N	1	1	427.263	3.778	20	5		IHBDMO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1	ZINC001164910282	721552984	/nfs/dbraw/zinc/55/29/84/721552984.db2.gz	WFBFKNRPGDPOBD-FPOVZHCZSA-N	1	1	435.459	3.533	20	5		IHBDMO
O=[N+]([O-])c1ccc2nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)cnc2c1	ZINC001164907078	721692537	/nfs/dbraw/zinc/69/25/37/721692537.db2.gz	QXSBIHOXFRCXKH-OAQYLSRUSA-N	1	1	440.454	3.671	20	5		IHBDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3cc([N+](=O)[O-])ccc31)C2	ZINC001164908250	721751905	/nfs/dbraw/zinc/75/19/05/721751905.db2.gz	GEWHODMZLVDXDF-UHFFFAOYSA-N	1	1	430.468	3.721	20	5		IHBDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3cc([N+](=O)[O-])ccc31)C2	ZINC001164908250	721751915	/nfs/dbraw/zinc/75/19/15/721751915.db2.gz	GEWHODMZLVDXDF-UHFFFAOYSA-N	1	1	430.468	3.721	20	5		IHBDMO
Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5cc([N+](=O)[O-])ccc54)CC3)C2)cc1	ZINC001164940898	721925338	/nfs/dbraw/zinc/92/53/38/721925338.db2.gz	WABHAFFMXKVWAL-UHFFFAOYSA-N	1	1	433.512	3.718	20	5		IHBDMO
O=[N+]([O-])c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1-c1ccccc1	ZINC001164971719	722154608	/nfs/dbraw/zinc/15/46/08/722154608.db2.gz	DPXXJAVXTINHRC-GGAORHGYSA-N	1	1	445.523	3.779	20	5		IHBDMO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21	ZINC001164625910	719058996	/nfs/dbraw/zinc/05/89/96/719058996.db2.gz	NSMJVYTUOBUHRP-FUHWJXTLSA-N	1	1	444.919	3.921	20	5		IHBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])cc(Cl)n1)CC2	ZINC001164710711	720095872	/nfs/dbraw/zinc/09/58/72/720095872.db2.gz	LHAHGTLIOVKYBL-SFHVURJKSA-N	1	1	431.924	3.546	20	5		IHBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(Cl)cc([N+](=O)[O-])n1)CC2	ZINC001164718009	720110606	/nfs/dbraw/zinc/11/06/06/720110606.db2.gz	QAMHFLSXRLIIII-SFHVURJKSA-N	1	1	431.924	3.546	20	5		IHBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)cc(Cl)c1[N+](=O)[O-])CC2	ZINC001164714184	720111284	/nfs/dbraw/zinc/11/12/84/720111284.db2.gz	ALCNGXAWWUBYRN-GOSISDBHSA-N	1	1	445.951	3.854	20	5		IHBDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)[C@H]2C	ZINC001164863216	720946603	/nfs/dbraw/zinc/94/66/03/720946603.db2.gz	YVVPICSHABVVCM-LBPRGKRZSA-N	1	1	428.871	3.806	20	5		IHBDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])[C@H]2C	ZINC001164862385	721004419	/nfs/dbraw/zinc/00/44/19/721004419.db2.gz	SEUCDGDVLDHVHP-JTQLQIEISA-N	1	1	447.849	3.675	20	5		IHBDMO
O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164867515	721186456	/nfs/dbraw/zinc/18/64/56/721186456.db2.gz	GPUXPPZRNBUZHK-ZWKOTPCHSA-N	1	1	439.903	3.671	20	5		IHBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5ccc6cccnc6c5n4)C3)O2)CC1	ZINC001164887936	721395612	/nfs/dbraw/zinc/39/56/12/721395612.db2.gz	IXZVGLBMGBLKRI-BKMJKUGQSA-N	1	1	431.584	3.548	20	5		IHBDMO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1Cl	ZINC001164900685	721512617	/nfs/dbraw/zinc/51/26/17/721512617.db2.gz	SZGZGCUIFBCHCE-GDBMZVCRSA-N	1	1	442.825	3.669	20	5		IHBDMO
O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164907726	721531047	/nfs/dbraw/zinc/53/10/47/721531047.db2.gz	OFUMGGQHINLVPJ-TZMCWYRMSA-N	1	1	427.263	3.778	20	5		IHBDMO
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164904329	721700666	/nfs/dbraw/zinc/70/06/66/721700666.db2.gz	FOSWMVSURCWIKC-OAQYLSRUSA-N	1	1	440.454	3.671	20	5		IHBDMO
O=[N+]([O-])c1c[nH]c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc12	ZINC001164908365	721713125	/nfs/dbraw/zinc/71/31/25/721713125.db2.gz	XHJPBTUBUPADNM-HXUWFJFHSA-N	1	1	428.443	3.604	20	5		IHBDMO
CN(C)/C=C\c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001165023922	721822950	/nfs/dbraw/zinc/82/29/50/721822950.db2.gz	ITGCDSMIKAKKIH-BNRCBSBZSA-N	1	1	436.560	3.654	20	5		IHBDMO
CN(C)/C=C/c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001165023929	721823098	/nfs/dbraw/zinc/82/30/98/721823098.db2.gz	ITGCDSMIKAKKIH-JVHVQKNDSA-N	1	1	436.560	3.654	20	5		IHBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])c(C)c1C)CC2	ZINC001164719690	720124171	/nfs/dbraw/zinc/12/41/71/720124171.db2.gz	ZYVFBVBYUGPVBX-HXUWFJFHSA-N	1	1	425.533	3.509	20	5		IHBDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)CC[C@@H]21	ZINC001164843259	720620703	/nfs/dbraw/zinc/62/07/03/720620703.db2.gz	XFBNNMKSQXDEMJ-DXIQSLLYSA-N	1	1	447.543	3.626	20	5		IHBDMO
c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[C@H]3[N@H+]2CC2CC2)n1	ZINC001164741513	720819190	/nfs/dbraw/zinc/81/91/90/720819190.db2.gz	NXGLETKYWPWVEC-RJGXRXQPSA-N	1	1	439.567	3.754	20	5		IHBDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)CC[C@H]2C1	ZINC001164858877	720857322	/nfs/dbraw/zinc/85/73/22/720857322.db2.gz	SEDQOVZPSJVCSZ-RBUKOAKNSA-N	1	1	426.948	3.610	20	5		IHBDMO
O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1	ZINC001164879801	721147560	/nfs/dbraw/zinc/14/75/60/721147560.db2.gz	UFDAEMAZTUVAND-ZWKOTPCHSA-N	1	1	439.903	3.671	20	5		IHBDMO
O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164867513	721185939	/nfs/dbraw/zinc/18/59/39/721185939.db2.gz	GPUXPPZRNBUZHK-ROUUACIJSA-N	1	1	439.903	3.671	20	5		IHBDMO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1	ZINC001164906747	721567238	/nfs/dbraw/zinc/56/72/38/721567238.db2.gz	KQLVNINHXJXWIX-DOTOQJQBSA-N	1	1	443.866	3.672	20	5		IHBDMO
CC(C)Oc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ccc1[N+](=O)[O-]	ZINC001165024440	721826218	/nfs/dbraw/zinc/82/62/18/721826218.db2.gz	JVUKMDRYHGWXNM-IHPCNDPISA-N	1	1	425.533	3.909	20	5		IHBDMO
CC(C)Oc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC001165024441	721826352	/nfs/dbraw/zinc/82/63/52/721826352.db2.gz	JVUKMDRYHGWXNM-SXLOBPIMSA-N	1	1	425.533	3.909	20	5		IHBDMO
Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc([N+](=O)[O-])c(OC(C)C)n4)CC3)C2)cc1	ZINC001164940727	721931636	/nfs/dbraw/zinc/93/16/36/721931636.db2.gz	YXWAARLCNNCSAW-UHFFFAOYSA-N	1	1	440.544	3.957	20	5		IHBDMO
O=[N+]([O-])c1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c2ccccc21	ZINC001164964281	722055094	/nfs/dbraw/zinc/05/50/94/722055094.db2.gz	UKMUTTXNRWLPCU-UHFFFAOYSA-N	1	1	433.512	3.657	20	5		IHBDMO
O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC001308033173	1126162284	/nfs/dbraw/zinc/16/22/84/1126162284.db2.gz	GGNFXHFCAWJLDP-HOCLYGCPSA-N	1	1	433.224	3.981	20	5		IHBDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)C2	ZINC001164813201	720129230	/nfs/dbraw/zinc/12/92/30/720129230.db2.gz	PTXKMJDIZDPZOV-AOMKIAJQSA-N	1	1	430.936	3.981	20	5		IHBDMO
O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nn2)ccc1Cl	ZINC001164731080	720465692	/nfs/dbraw/zinc/46/56/92/720465692.db2.gz	VNSSYXXBAWYYLE-UXHICEINSA-N	1	1	436.903	3.953	20	5		IHBDMO
COc1cc(C)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1[N+](=O)[O-]	ZINC001164841024	720687129	/nfs/dbraw/zinc/68/71/29/720687129.db2.gz	HACZVZUDHYHSTO-LJQANCHMSA-N	1	1	426.517	3.567	20	5		IHBDMO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2	ZINC001164840326	720724366	/nfs/dbraw/zinc/72/43/66/720724366.db2.gz	PEMYWTFWVSICNG-IBGZPJMESA-N	1	1	433.512	3.798	20	5		IHBDMO
O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1-c1ccccc1	ZINC001164872647	721185084	/nfs/dbraw/zinc/18/50/84/721185084.db2.gz	HZZJUIIRRVQHMF-LEWJYISDSA-N	1	1	431.496	3.532	20	5		IHBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5ccc6cccnc6c5n4)C3)O2)CC1	ZINC001164887950	721395518	/nfs/dbraw/zinc/39/55/18/721395518.db2.gz	IXZVGLBMGBLKRI-NVQXNPDNSA-N	1	1	431.584	3.548	20	5		IHBDMO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1Cl	ZINC001164900687	721512750	/nfs/dbraw/zinc/51/27/50/721512750.db2.gz	SZGZGCUIFBCHCE-HOCLYGCPSA-N	1	1	442.825	3.669	20	5		IHBDMO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164898817	721523803	/nfs/dbraw/zinc/52/38/03/721523803.db2.gz	JKKGCTVLGXLLOF-ZBFHGGJFSA-N	1	1	443.866	3.672	20	5		IHBDMO
Cc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc2ccc([N+](=O)[O-])cc12	ZINC001164799082	721539829	/nfs/dbraw/zinc/53/98/29/721539829.db2.gz	AONHPJYNQYQMTF-FIXSFTCYSA-N	1	1	433.512	3.715	20	5		IHBDMO
Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164911009	721557415	/nfs/dbraw/zinc/55/74/15/721557415.db2.gz	XWNDHWAFOMJULQ-UNMCSNQZSA-N	1	1	449.486	3.841	20	5		IHBDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)C2	ZINC001164907970	721747128	/nfs/dbraw/zinc/74/71/28/721747128.db2.gz	FMQSSNTZTPUFPK-UHFFFAOYSA-N	1	1	430.468	3.721	20	5		IHBDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)C2	ZINC001164907970	721747136	/nfs/dbraw/zinc/74/71/36/721747136.db2.gz	FMQSSNTZTPUFPK-UHFFFAOYSA-N	1	1	430.468	3.721	20	5		IHBDMO
O=[N+]([O-])c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(Br)c1	ZINC001175699630	1126149107	/nfs/dbraw/zinc/14/91/07/1126149107.db2.gz	VKCZTEBAYYWXFY-HOTGVXAUSA-N	1	1	433.224	3.981	20	5		IHBDMO
O=[N+]([O-])c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(Br)c1	ZINC001175699628	1126149122	/nfs/dbraw/zinc/14/91/22/1126149122.db2.gz	VKCZTEBAYYWXFY-CVEARBPZSA-N	1	1	433.224	3.981	20	5		IHBDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2	ZINC001164649652	719309588	/nfs/dbraw/zinc/30/95/88/719309588.db2.gz	VRLZUAOAPHHABH-UHFFFAOYSA-N	1	1	429.912	3.593	20	5		IHBDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)C2	ZINC001164813203	720129800	/nfs/dbraw/zinc/12/98/00/720129800.db2.gz	PTXKMJDIZDPZOV-OPAMFIHVSA-N	1	1	430.936	3.981	20	5		IHBDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn1)C2	ZINC001164815573	720149434	/nfs/dbraw/zinc/14/94/34/720149434.db2.gz	IJKHUSIMHOXLOF-GBXCKJPGSA-N	1	1	437.544	3.545	20	5		IHBDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164843258	720621921	/nfs/dbraw/zinc/62/19/21/720621921.db2.gz	XFBNNMKSQXDEMJ-CNNODRBYSA-N	1	1	447.543	3.626	20	5		IHBDMO
CCc1cc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164782539	721430893	/nfs/dbraw/zinc/43/08/93/721430893.db2.gz	GLVRNBPTJSPJEX-IRXDYDNUSA-N	1	1	436.541	3.639	20	5		IHBDMO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1	ZINC001164896886	721526442	/nfs/dbraw/zinc/52/64/42/721526442.db2.gz	CAGQQNMJOPOWJL-GDBMZVCRSA-N	1	1	442.825	3.669	20	5		IHBDMO
Cc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164907358	721546895	/nfs/dbraw/zinc/54/68/95/721546895.db2.gz	NCVKLYNWUDPRNO-CTNGQTDRSA-N	1	1	449.486	3.841	20	5		IHBDMO
CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-]	ZINC001164928581	721863492	/nfs/dbraw/zinc/86/34/92/721863492.db2.gz	YSJLDARKONGHGV-DLBZAZTESA-N	1	1	449.914	3.789	20	5		IHBDMO
CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-]	ZINC001164928581	721863495	/nfs/dbraw/zinc/86/34/95/721863495.db2.gz	YSJLDARKONGHGV-DLBZAZTESA-N	1	1	449.914	3.789	20	5		IHBDMO
CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-]	ZINC001164928582	721863644	/nfs/dbraw/zinc/86/36/44/721863644.db2.gz	YSJLDARKONGHGV-IAGOWNOFSA-N	1	1	449.914	3.789	20	5		IHBDMO
CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-]	ZINC001164928582	721863645	/nfs/dbraw/zinc/86/36/45/721863645.db2.gz	YSJLDARKONGHGV-IAGOWNOFSA-N	1	1	449.914	3.789	20	5		IHBDMO
O=[N+]([O-])c1cc2ccccc2nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2	ZINC001164960649	722057845	/nfs/dbraw/zinc/05/78/45/722057845.db2.gz	FUWZQILRMSNMCT-UHFFFAOYSA-N	1	1	433.512	3.657	20	5		IHBDMO
O=[N+]([O-])c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1-c1ccccc1	ZINC001164971720	722154871	/nfs/dbraw/zinc/15/48/71/722154871.db2.gz	DPXXJAVXTINHRC-GMAHTHKFSA-N	1	1	445.523	3.779	20	5		IHBDMO
CN(C)/C=C/c1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-]	ZINC001164995304	722207468	/nfs/dbraw/zinc/20/74/68/722207468.db2.gz	MDNKWVRPOQWSSD-GULCCPCXSA-N	1	1	425.508	3.906	20	5		IHBDMO
CN(C)/C=C/c1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-]	ZINC001164995299	722207677	/nfs/dbraw/zinc/20/76/77/722207677.db2.gz	MDNKWVRPOQWSSD-BVRWQAIYSA-N	1	1	425.508	3.906	20	5		IHBDMO
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	720523743	/nfs/dbraw/zinc/52/37/43/720523743.db2.gz	NKWSMOBCPVKFRG-YCPHGPKFSA-N	1	1	439.347	3.871	20	5		IHBDMO
O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1	ZINC001164879797	721147540	/nfs/dbraw/zinc/14/75/40/721147540.db2.gz	UFDAEMAZTUVAND-QZTJIDSGSA-N	1	1	439.903	3.671	20	5		IHBDMO
O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164867507	721186274	/nfs/dbraw/zinc/18/62/74/721186274.db2.gz	GPUXPPZRNBUZHK-MSOLQXFVSA-N	1	1	439.903	3.671	20	5		IHBDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CC2	ZINC001164792021	721492630	/nfs/dbraw/zinc/49/26/30/721492630.db2.gz	JZMWDJZYPIOCQK-UHFFFAOYSA-N	1	1	437.331	3.968	20	5		IHBDMO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1	ZINC001164901354	721523781	/nfs/dbraw/zinc/52/37/81/721523781.db2.gz	WQZDCFCINDRCQL-RDJZCZTQSA-N	1	1	443.866	3.672	20	5		IHBDMO
Cc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164911005	721557769	/nfs/dbraw/zinc/55/77/69/721557769.db2.gz	XWNDHWAFOMJULQ-RBBKRZOGSA-N	1	1	449.486	3.841	20	5		IHBDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C2	ZINC001164909981	721749378	/nfs/dbraw/zinc/74/93/78/721749378.db2.gz	WDUDRCDVMXIOIE-UHFFFAOYSA-N	1	1	449.298	3.874	20	5		IHBDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C2	ZINC001164909981	721749386	/nfs/dbraw/zinc/74/93/86/721749386.db2.gz	WDUDRCDVMXIOIE-UHFFFAOYSA-N	1	1	449.298	3.874	20	5		IHBDMO
CC(C)Oc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ccc1[N+](=O)[O-]	ZINC001165024442	721826443	/nfs/dbraw/zinc/82/64/43/721826443.db2.gz	JVUKMDRYHGWXNM-YSIASYRMSA-N	1	1	425.533	3.909	20	5		IHBDMO
O=[N+]([O-])c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1-c1ccccc1	ZINC001164971721	722154594	/nfs/dbraw/zinc/15/45/94/722154594.db2.gz	DPXXJAVXTINHRC-JTHBVZDNSA-N	1	1	445.523	3.779	20	5		IHBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(Cl)c1[N+](=O)[O-])CC2	ZINC001164711021	720096340	/nfs/dbraw/zinc/09/63/40/720096340.db2.gz	NCJHJAPLSUFKJT-KRWDZBQOSA-N	1	1	431.924	3.546	20	5		IHBDMO
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	720523784	/nfs/dbraw/zinc/52/37/84/720523784.db2.gz	NKWSMOBCPVKFRG-DZKIICNBSA-N	1	1	439.347	3.871	20	5		IHBDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)CC[C@@H]21	ZINC001164843260	720621908	/nfs/dbraw/zinc/62/19/08/720621908.db2.gz	XFBNNMKSQXDEMJ-IPJJNNNSSA-N	1	1	447.543	3.626	20	5		IHBDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)[C@H]2C	ZINC001164858714	720943632	/nfs/dbraw/zinc/94/36/32/720943632.db2.gz	KLPJKEQDSBLREW-ZDUSSCGKSA-N	1	1	429.912	3.809	20	5		IHBDMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)cc(Cl)c3[N+](=O)[O-])C2)C1	ZINC001164776177	721345219	/nfs/dbraw/zinc/34/52/19/721345219.db2.gz	AJOFZKROVFUDMK-NRFANRHFSA-N	1	1	449.939	3.675	20	5		IHBDMO
Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)cc(Cl)c3[N+](=O)[O-])C2)C1	ZINC001164776177	721345223	/nfs/dbraw/zinc/34/52/23/721345223.db2.gz	AJOFZKROVFUDMK-NRFANRHFSA-N	1	1	449.939	3.675	20	5		IHBDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5ccc6cccnc6c5n4)C3)O2)CC1	ZINC001164887943	721395378	/nfs/dbraw/zinc/39/53/78/721395378.db2.gz	IXZVGLBMGBLKRI-GJZUVCINSA-N	1	1	431.584	3.548	20	5		IHBDMO
CCc1cc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164782120	721430474	/nfs/dbraw/zinc/43/04/74/721430474.db2.gz	GLVRNBPTJSPJEX-IAGOWNOFSA-N	1	1	436.541	3.639	20	5		IHBDMO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1	ZINC001164896889	721525917	/nfs/dbraw/zinc/52/59/17/721525917.db2.gz	CAGQQNMJOPOWJL-ZBFHGGJFSA-N	1	1	442.825	3.669	20	5		IHBDMO
Cc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc2ccc([N+](=O)[O-])cc12	ZINC001164799085	721539882	/nfs/dbraw/zinc/53/98/82/721539882.db2.gz	AONHPJYNQYQMTF-GPXNEJASSA-N	1	1	433.512	3.715	20	5		IHBDMO
Cc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164910999	721557382	/nfs/dbraw/zinc/55/73/82/721557382.db2.gz	XWNDHWAFOMJULQ-IFMALSPDSA-N	1	1	449.486	3.841	20	5		IHBDMO
CC(C)Oc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-]	ZINC001164913124	721728917	/nfs/dbraw/zinc/72/89/17/721728917.db2.gz	TZWNWCTZKOYFMS-OAQYLSRUSA-N	1	1	447.486	3.910	20	5		IHBDMO
O=[N+]([O-])c1ccc(-c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)cc1	ZINC001164955490	722021973	/nfs/dbraw/zinc/02/19/73/722021973.db2.gz	JEXAZWBCSZVAID-UHFFFAOYSA-N	1	1	430.512	3.939	20	5		IHBDMO
CN(C)/C=C\c1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-]	ZINC001164995315	722208000	/nfs/dbraw/zinc/20/80/00/722208000.db2.gz	MDNKWVRPOQWSSD-TZCKBEDOSA-N	1	1	425.508	3.906	20	5		IHBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)c(C)cc1[N+](=O)[O-])CC2	ZINC001164719084	720110645	/nfs/dbraw/zinc/11/06/45/720110645.db2.gz	VPRICLCBZABOFL-GOSISDBHSA-N	1	1	445.951	3.854	20	5		IHBDMO
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	720537389	/nfs/dbraw/zinc/53/73/89/720537389.db2.gz	DGSLFMDVVDTCHJ-YCPHGPKFSA-N	1	1	439.347	3.871	20	5		IHBDMO
O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1-c1ccc(F)cc1	ZINC001164867881	721185646	/nfs/dbraw/zinc/18/56/46/721185646.db2.gz	IXBYXVXWKMYTQJ-NHCUHLMSSA-N	1	1	449.486	3.671	20	5		IHBDMO
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nn1	ZINC001164905309	721558943	/nfs/dbraw/zinc/55/89/43/721558943.db2.gz	GPJCKDULIVTHTC-PKOBYXMFSA-N	1	1	435.459	3.533	20	5		IHBDMO
O=[N+]([O-])c1ccc2ncc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2c1	ZINC001164907888	721586839	/nfs/dbraw/zinc/58/68/39/721586839.db2.gz	VTJQBPFDJZVWNI-NRFANRHFSA-N	1	1	440.454	3.671	20	5		IHBDMO
O=[N+]([O-])c1ccccc1-c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nn1	ZINC001164955658	722022947	/nfs/dbraw/zinc/02/29/47/722022947.db2.gz	MHEHZHVIUCKFSL-UHFFFAOYSA-N	1	1	430.512	3.939	20	5		IHBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2	ZINC001164710760	720095408	/nfs/dbraw/zinc/09/54/08/720095408.db2.gz	MAZJPHZAULQFKT-SFHVURJKSA-N	1	1	431.924	3.546	20	5		IHBDMO
CCc1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164732070	720455782	/nfs/dbraw/zinc/45/57/82/720455782.db2.gz	MXGFMMWUGFDEGM-FGZHOGPDSA-N	1	1	430.512	3.862	20	5		IHBDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164843151	720597752	/nfs/dbraw/zinc/59/77/52/720597752.db2.gz	WYPSVGJJIQWABS-UNWVZKJWSA-N	1	1	447.543	3.626	20	5		IHBDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)[C@@H]2C	ZINC001164858081	721021547	/nfs/dbraw/zinc/02/15/47/721021547.db2.gz	FXFHVXDKZNMTMU-CYBMUJFWSA-N	1	1	429.912	3.809	20	5		IHBDMO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ccc21	ZINC001164867425	721103775	/nfs/dbraw/zinc/10/37/75/721103775.db2.gz	YKYGWIDOUGHKBC-DLBZAZTESA-N	1	1	439.903	3.671	20	5		IHBDMO
Cc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164907360	721546920	/nfs/dbraw/zinc/54/69/20/721546920.db2.gz	NCVKLYNWUDPRNO-PZJWPPBQSA-N	1	1	449.486	3.841	20	5		IHBDMO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1	ZINC001164910286	721552742	/nfs/dbraw/zinc/55/27/42/721552742.db2.gz	WFBFKNRPGDPOBD-PZJWPPBQSA-N	1	1	435.459	3.533	20	5		IHBDMO
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1	ZINC001164905307	721559209	/nfs/dbraw/zinc/55/92/09/721559209.db2.gz	GPJCKDULIVTHTC-IEBWSBKVSA-N	1	1	435.459	3.533	20	5		IHBDMO
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nn1	ZINC001164905306	721559415	/nfs/dbraw/zinc/55/94/15/721559415.db2.gz	GPJCKDULIVTHTC-HKUYNNGSSA-N	1	1	435.459	3.533	20	5		IHBDMO
O=[N+]([O-])c1c[nH]c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc12	ZINC001164908362	721713186	/nfs/dbraw/zinc/71/31/86/721713186.db2.gz	XHJPBTUBUPADNM-FQEVSTJZSA-N	1	1	428.443	3.604	20	5		IHBDMO
Cc1nc(Cl)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-]	ZINC001164907801	721744652	/nfs/dbraw/zinc/74/46/52/721744652.db2.gz	AXVLWUXHPUBMGD-UHFFFAOYSA-N	1	1	428.880	3.529	20	5		IHBDMO
Cc1nc(Cl)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-]	ZINC001164907801	721744653	/nfs/dbraw/zinc/74/46/53/721744653.db2.gz	AXVLWUXHPUBMGD-UHFFFAOYSA-N	1	1	428.880	3.529	20	5		IHBDMO
CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-]	ZINC001164928584	721863797	/nfs/dbraw/zinc/86/37/97/721863797.db2.gz	YSJLDARKONGHGV-SJORKVTESA-N	1	1	449.914	3.789	20	5		IHBDMO
CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-]	ZINC001164928584	721863798	/nfs/dbraw/zinc/86/37/98/721863798.db2.gz	YSJLDARKONGHGV-SJORKVTESA-N	1	1	449.914	3.789	20	5		IHBDMO
CCOc1nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)ccc1[N+](=O)[O-]	ZINC001164939966	721928894	/nfs/dbraw/zinc/92/88/94/721928894.db2.gz	PGWJHLOFAAXING-UHFFFAOYSA-N	1	1	426.517	3.568	20	5		IHBDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2	ZINC001164647880	719308935	/nfs/dbraw/zinc/30/89/35/719308935.db2.gz	ODGOQUAXGUXTJK-UHFFFAOYSA-N	1	1	428.871	3.590	20	5		IHBDMO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2	ZINC001164695694	719889741	/nfs/dbraw/zinc/88/97/41/719889741.db2.gz	REYROVZNIXXKLE-UHFFFAOYSA-N	1	1	444.344	3.625	20	5		IHBDMO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2	ZINC001164695694	719889744	/nfs/dbraw/zinc/88/97/44/719889744.db2.gz	REYROVZNIXXKLE-UHFFFAOYSA-N	1	1	444.344	3.625	20	5		IHBDMO
CCOc1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1[N+](=O)[O-]	ZINC001164840315	720702635	/nfs/dbraw/zinc/70/26/35/720702635.db2.gz	PANZOGUXXXOLOC-LJQANCHMSA-N	1	1	426.517	3.648	20	5		IHBDMO
Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164861695	721008934	/nfs/dbraw/zinc/00/89/34/721008934.db2.gz	PGBUFAJBDLHMEU-QGZVFWFLSA-N	1	1	435.532	3.978	20	5		IHBDMO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164867319	721077534	/nfs/dbraw/zinc/07/75/34/721077534.db2.gz	XULSDQHQCNZSEV-IAGOWNOFSA-N	1	1	439.903	3.671	20	5		IHBDMO
CN(C)/C=C/c1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ncc1[N+](=O)[O-]	ZINC001164796696	721500371	/nfs/dbraw/zinc/50/03/71/721500371.db2.gz	VLUCFUFRCPIHPS-IZZDOVSWSA-N	1	1	436.560	3.798	20	5		IHBDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]12	ZINC001164810110	721541839	/nfs/dbraw/zinc/54/18/39/721541839.db2.gz	WZIZZADWTRAFMP-UAGQMJEPSA-N	1	1	438.315	3.560	20	5		IHBDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]12	ZINC001164810110	721541844	/nfs/dbraw/zinc/54/18/44/721541844.db2.gz	WZIZZADWTRAFMP-UAGQMJEPSA-N	1	1	438.315	3.560	20	5		IHBDMO
Cc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164907361	721546611	/nfs/dbraw/zinc/54/66/11/721546611.db2.gz	NCVKLYNWUDPRNO-TZIWHRDSSA-N	1	1	449.486	3.841	20	5		IHBDMO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1	ZINC001164906749	721567262	/nfs/dbraw/zinc/56/72/62/721567262.db2.gz	KQLVNINHXJXWIX-NVXWUHKLSA-N	1	1	443.866	3.672	20	5		IHBDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@@H]21	ZINC001165018606	721806622	/nfs/dbraw/zinc/80/66/22/721806622.db2.gz	BQCOWZUROYYXFD-AEGPPILISA-N	1	1	437.331	3.824	20	5		IHBDMO
O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC001165036319	721909874	/nfs/dbraw/zinc/90/98/74/721909874.db2.gz	ASPGODQOBJVAAW-HNNXBMFYSA-N	1	1	436.871	3.876	20	5		IHBDMO
O=[N+]([O-])c1ccc2c(ccnc2N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1	ZINC001164966066	722062238	/nfs/dbraw/zinc/06/22/38/722062238.db2.gz	NVAGMMDVFXPBOV-UHFFFAOYSA-N	1	1	433.512	3.657	20	5		IHBDMO
O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC001308033174	1126162309	/nfs/dbraw/zinc/16/23/09/1126162309.db2.gz	GGNFXHFCAWJLDP-ZBFHGGJFSA-N	1	1	433.224	3.981	20	5		IHBDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2	ZINC001164649566	719307255	/nfs/dbraw/zinc/30/72/55/719307255.db2.gz	UQIJXZCANBXFJJ-UHFFFAOYSA-N	1	1	428.871	3.590	20	5		IHBDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CC2	ZINC001164652884	719316973	/nfs/dbraw/zinc/31/69/73/719316973.db2.gz	SIYWJZNAFSBBNM-UHFFFAOYSA-N	1	1	439.495	3.593	20	5		IHBDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1	ZINC001164836674	720524076	/nfs/dbraw/zinc/52/40/76/720524076.db2.gz	NKWSMOBCPVKFRG-IJEWVQPXSA-N	1	1	439.347	3.871	20	5		IHBDMO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1	ZINC001164837517	720671037	/nfs/dbraw/zinc/67/10/37/720671037.db2.gz	CAVWVLFIJAZLAB-KRWDZBQOSA-N	1	1	431.924	3.607	20	5		IHBDMO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3cc([N+](=O)[O-])ccc31)CC2	ZINC001164845381	720685489	/nfs/dbraw/zinc/68/54/89/720685489.db2.gz	ZBSCGDZOYZKHHS-HXUWFJFHSA-N	1	1	433.512	3.798	20	5		IHBDMO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3cc([N+](=O)[O-])ccc31)CC2	ZINC001164845380	720686229	/nfs/dbraw/zinc/68/62/29/720686229.db2.gz	ZBSCGDZOYZKHHS-FQEVSTJZSA-N	1	1	433.512	3.798	20	5		IHBDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)CC[C@@H]2C1	ZINC001164858878	720857722	/nfs/dbraw/zinc/85/77/22/720857722.db2.gz	SEDQOVZPSJVCSZ-RTBURBONSA-N	1	1	426.948	3.610	20	5		IHBDMO
CCOC(=O)c1ccnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-]	ZINC001164995718	722212443	/nfs/dbraw/zinc/21/24/43/722212443.db2.gz	KDIJCQYRCUSYPF-QFIPXVFZSA-N	1	1	428.464	3.551	20	5		IHBDMO
O=[N+]([O-])c1ccc(Br)c(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1	ZINC001620533892	1126240363	/nfs/dbraw/zinc/24/03/63/1126240363.db2.gz	BPNJWKPNZIZGLF-JKSUJKDBSA-N	1	1	433.224	3.981	20	5		IHBDMO
O=[N+]([O-])c1ccc(Br)c(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1	ZINC001620533889	1126240408	/nfs/dbraw/zinc/24/04/08/1126240408.db2.gz	BPNJWKPNZIZGLF-CVEARBPZSA-N	1	1	433.224	3.981	20	5		IHBDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)[C@@H]2C	ZINC001164858282	720924735	/nfs/dbraw/zinc/92/47/35/720924735.db2.gz	MOXMNCHJLNQECH-GFCCVEGCSA-N	1	1	428.871	3.806	20	5		IHBDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])[C@H]2C	ZINC001164859804	720944888	/nfs/dbraw/zinc/94/48/88/720944888.db2.gz	NORRAPIMVNNTTN-ZDUSSCGKSA-N	1	1	429.912	3.809	20	5		IHBDMO
O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1	ZINC001164879799	721148079	/nfs/dbraw/zinc/14/80/79/721148079.db2.gz	UFDAEMAZTUVAND-ROUUACIJSA-N	1	1	439.903	3.671	20	5		IHBDMO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164898816	721523459	/nfs/dbraw/zinc/52/34/59/721523459.db2.gz	JKKGCTVLGXLLOF-HOCLYGCPSA-N	1	1	443.866	3.672	20	5		IHBDMO
O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164899749	721523758	/nfs/dbraw/zinc/52/37/58/721523758.db2.gz	MCZGAEJZCUEXCP-TZMCWYRMSA-N	1	1	427.263	3.778	20	5		IHBDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@H]12	ZINC001164799010	721550078	/nfs/dbraw/zinc/55/00/78/721550078.db2.gz	AIQZRAMEXYNHOE-DAYGRLMNSA-N	1	1	438.315	3.560	20	5		IHBDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@H]12	ZINC001164799010	721550080	/nfs/dbraw/zinc/55/00/80/721550080.db2.gz	AIQZRAMEXYNHOE-DAYGRLMNSA-N	1	1	438.315	3.560	20	5		IHBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1	ZINC001164691291	719811227	/nfs/dbraw/zinc/81/12/27/719811227.db2.gz	DSOPNAPZHDBMCC-UHFFFAOYSA-N	1	1	445.545	3.566	20	5		IHBDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)C2	ZINC001164815306	720198949	/nfs/dbraw/zinc/19/89/49/720198949.db2.gz	YSFZYOQIBUBIBT-DVECYGJZSA-N	1	1	440.519	3.981	20	5		IHBDMO
O=[N+]([O-])c1cc(-c2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nn2)ccc1Cl	ZINC001164731081	720466792	/nfs/dbraw/zinc/46/67/92/720466792.db2.gz	VNSSYXXBAWYYLE-VQTJNVASSA-N	1	1	436.903	3.953	20	5		IHBDMO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3ccc([N+](=O)[O-])cc31)CC2	ZINC001164840397	720686299	/nfs/dbraw/zinc/68/62/99/720686299.db2.gz	DLIHXFAWSWQSAU-HXUWFJFHSA-N	1	1	433.512	3.798	20	5		IHBDMO
c1ncn(C[C@H]2C[C@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[C@H]3[N@H+]2CC2CC2)n1	ZINC001164741530	720819101	/nfs/dbraw/zinc/81/91/01/720819101.db2.gz	NXGLETKYWPWVEC-YTFSRNRJSA-N	1	1	439.567	3.754	20	5		IHBDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)[C@@H]2C	ZINC001164857042	720939790	/nfs/dbraw/zinc/93/97/90/720939790.db2.gz	GCLHTHIUGNVPON-GFCCVEGCSA-N	1	1	428.871	3.806	20	5		IHBDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)[C@H]2C	ZINC001164856474	721013431	/nfs/dbraw/zinc/01/34/31/721013431.db2.gz	ANWURFOQWLVQRN-HNNXBMFYSA-N	1	1	439.495	3.809	20	5		IHBDMO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164867318	721077885	/nfs/dbraw/zinc/07/78/85/721077885.db2.gz	XULSDQHQCNZSEV-DLBZAZTESA-N	1	1	439.903	3.671	20	5		IHBDMO
O=[N+]([O-])c1cc(-c2ccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nn2)ccc1Cl	ZINC001164789006	721433487	/nfs/dbraw/zinc/43/34/87/721433487.db2.gz	VJIXKOGQPUBEND-GASCZTMLSA-N	1	1	442.932	3.730	20	5		IHBDMO
O=[N+]([O-])c1cc(-c2ccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nn2)ccc1Cl	ZINC001164789006	721433489	/nfs/dbraw/zinc/43/34/89/721433489.db2.gz	VJIXKOGQPUBEND-GASCZTMLSA-N	1	1	442.932	3.730	20	5		IHBDMO
O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164899746	721523516	/nfs/dbraw/zinc/52/35/16/721523516.db2.gz	MCZGAEJZCUEXCP-GXTWGEPZSA-N	1	1	427.263	3.778	20	5		IHBDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12	ZINC001164799022	721550087	/nfs/dbraw/zinc/55/00/87/721550087.db2.gz	AIQZRAMEXYNHOE-IIDMSEBBSA-N	1	1	438.315	3.560	20	5		IHBDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12	ZINC001164799022	721550090	/nfs/dbraw/zinc/55/00/90/721550090.db2.gz	AIQZRAMEXYNHOE-IIDMSEBBSA-N	1	1	438.315	3.560	20	5		IHBDMO
O=[N+]([O-])c1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc2[nH]ccc21	ZINC001164907349	721715311	/nfs/dbraw/zinc/71/53/11/721715311.db2.gz	RCHLFDINKDKJPQ-HXUWFJFHSA-N	1	1	428.443	3.604	20	5		IHBDMO
CC(C)Oc1nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ccc1[N+](=O)[O-]	ZINC001164912298	721762537	/nfs/dbraw/zinc/76/25/37/721762537.db2.gz	XTIMZTNSWVQHLJ-UHFFFAOYSA-N	1	1	437.500	3.960	20	5		IHBDMO
CC(C)Oc1nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ccc1[N+](=O)[O-]	ZINC001164912298	721762540	/nfs/dbraw/zinc/76/25/40/721762540.db2.gz	XTIMZTNSWVQHLJ-UHFFFAOYSA-N	1	1	437.500	3.960	20	5		IHBDMO
CSc1nc(Cl)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-]	ZINC001165025937	721814923	/nfs/dbraw/zinc/81/49/23/721814923.db2.gz	OJXCIEBNGHYOBV-CWRNSKLLSA-N	1	1	448.980	3.892	20	5		IHBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(Cl)c1[N+](=O)[O-])CC2	ZINC001164711022	720096471	/nfs/dbraw/zinc/09/64/71/720096471.db2.gz	NCJHJAPLSUFKJT-QGZVFWFLSA-N	1	1	431.924	3.546	20	5		IHBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2	ZINC001164711535	720096873	/nfs/dbraw/zinc/09/68/73/720096873.db2.gz	QLWNRROEKMKAEH-SFHVURJKSA-N	1	1	431.924	3.546	20	5		IHBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C)c1[N+](=O)[O-])CC2	ZINC001164719528	720108996	/nfs/dbraw/zinc/10/89/96/720108996.db2.gz	YFZOSEVLFZUXOW-SFHVURJKSA-N	1	1	445.951	3.854	20	5		IHBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])c(C)c1C)CC2	ZINC001164719688	720123317	/nfs/dbraw/zinc/12/33/17/720123317.db2.gz	ZYVFBVBYUGPVBX-FQEVSTJZSA-N	1	1	425.533	3.509	20	5		IHBDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164843148	720597816	/nfs/dbraw/zinc/59/78/16/720597816.db2.gz	WYPSVGJJIQWABS-IEIRFRATSA-N	1	1	447.543	3.626	20	5		IHBDMO
c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[C@H]3[N@H+]2CC2CC2)n1	ZINC001164741521	720819174	/nfs/dbraw/zinc/81/91/74/720819174.db2.gz	NXGLETKYWPWVEC-XPWALMASSA-N	1	1	439.567	3.754	20	5		IHBDMO
COCC[N@H+]1CCO[C@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)CC[C@H]2C1	ZINC001164858876	720857703	/nfs/dbraw/zinc/85/77/03/720857703.db2.gz	SEDQOVZPSJVCSZ-OALUTQOASA-N	1	1	426.948	3.610	20	5		IHBDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)[C@@H]2C	ZINC001164856475	721013981	/nfs/dbraw/zinc/01/39/81/721013981.db2.gz	ANWURFOQWLVQRN-OAHLLOKOSA-N	1	1	439.495	3.809	20	5		IHBDMO
CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1	ZINC001165028428	721803085	/nfs/dbraw/zinc/80/30/85/721803085.db2.gz	ZBEZNFTXGBSNDP-NUEKZKHPSA-N	1	1	448.980	3.892	20	5		IHBDMO
CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1	ZINC001165028424	721803209	/nfs/dbraw/zinc/80/32/09/721803209.db2.gz	ZBEZNFTXGBSNDP-IMJJTQAJSA-N	1	1	448.980	3.892	20	5		IHBDMO
CSc1nc(Cl)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1[N+](=O)[O-]	ZINC001164951694	722018985	/nfs/dbraw/zinc/01/89/85/722018985.db2.gz	CGIWEUYOPPIFMH-UHFFFAOYSA-N	1	1	434.953	3.648	20	5		IHBDMO
O=[N+]([O-])c1ccc(Br)c(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1	ZINC001620533891	1126240448	/nfs/dbraw/zinc/24/04/48/1126240448.db2.gz	BPNJWKPNZIZGLF-HZPDHXFCSA-N	1	1	433.224	3.981	20	5		IHBDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)C2	ZINC001164819448	720176762	/nfs/dbraw/zinc/17/67/62/720176762.db2.gz	XEQFKKQBMHLXIF-GBXCKJPGSA-N	1	1	437.544	3.545	20	5		IHBDMO
CCc1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164732086	720456304	/nfs/dbraw/zinc/45/63/04/720456304.db2.gz	MXGFMMWUGFDEGM-YADHBBJMSA-N	1	1	430.512	3.862	20	5		IHBDMO
Clc1ccc2ccc3ccc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)nc3c2n1	ZINC001164738256	720703450	/nfs/dbraw/zinc/70/34/50/720703450.db2.gz	ITJMVCCRNZKZID-MSOLQXFVSA-N	1	1	432.915	3.568	20	5		IHBDMO
Clc1ccc2ccc3ccc(N4CC[N@H+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)nc3c2n1	ZINC001164738264	720703674	/nfs/dbraw/zinc/70/36/74/720703674.db2.gz	ITJMVCCRNZKZID-ROUUACIJSA-N	1	1	432.915	3.568	20	5		IHBDMO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1Cl	ZINC001164896292	721522130	/nfs/dbraw/zinc/52/21/30/721522130.db2.gz	AVQZNIJZTWPGFX-HIFRSBDPSA-N	1	1	442.825	3.669	20	5		IHBDMO
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1	ZINC001164905308	721559370	/nfs/dbraw/zinc/55/93/70/721559370.db2.gz	GPJCKDULIVTHTC-MJGOQNOKSA-N	1	1	435.459	3.533	20	5		IHBDMO
Cc1ccc(C[N@H+]2CCOC3(CCN(c4cnc5cc([N+](=O)[O-])ccc5n4)CC3)C2)cc1	ZINC001164940446	721922634	/nfs/dbraw/zinc/92/26/34/721922634.db2.gz	QLVNOMHZEMEYOW-UHFFFAOYSA-N	1	1	433.512	3.718	20	5		IHBDMO
O=[N+]([O-])c1ccc2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nc2c1	ZINC001164962324	722054781	/nfs/dbraw/zinc/05/47/81/722054781.db2.gz	CXFRNRNRQZKRFM-UHFFFAOYSA-N	1	1	433.512	3.657	20	5		IHBDMO
c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[C@H]3C2)c1	ZINC001164984348	722106857	/nfs/dbraw/zinc/10/68/57/722106857.db2.gz	SRSMRMATDPYBCG-GOTSBHOMSA-N	1	1	425.536	3.905	20	5		IHBDMO
Clc1ccc2ccc3ccc(N4CC[N@H+]5C[C@H](Oc6cncnc6)C[C@H]5C4)nc3c2n1	ZINC001164738267	720705465	/nfs/dbraw/zinc/70/54/65/720705465.db2.gz	ITJMVCCRNZKZID-ZWKOTPCHSA-N	1	1	432.915	3.568	20	5		IHBDMO
O=[N+]([O-])c1cc(-c2ccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nn2)ccc1Cl	ZINC001164789010	721433321	/nfs/dbraw/zinc/43/33/21/721433321.db2.gz	VJIXKOGQPUBEND-GJZGRUSLSA-N	1	1	442.932	3.730	20	5		IHBDMO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl	ZINC001164896291	721522366	/nfs/dbraw/zinc/52/23/66/721522366.db2.gz	AVQZNIJZTWPGFX-DZGCQCFKSA-N	1	1	442.825	3.669	20	5		IHBDMO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1	ZINC001164901356	721523603	/nfs/dbraw/zinc/52/36/03/721523603.db2.gz	WQZDCFCINDRCQL-WBVHZDCISA-N	1	1	443.866	3.672	20	5		IHBDMO
Cc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc2ccc([N+](=O)[O-])cc12	ZINC001164799087	721540073	/nfs/dbraw/zinc/54/00/73/721540073.db2.gz	AONHPJYNQYQMTF-WPFOTENUSA-N	1	1	433.512	3.715	20	5		IHBDMO
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164904320	721700738	/nfs/dbraw/zinc/70/07/38/721700738.db2.gz	FOSWMVSURCWIKC-NRFANRHFSA-N	1	1	440.454	3.671	20	5		IHBDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@@H]21	ZINC001165018611	721806576	/nfs/dbraw/zinc/80/65/76/721806576.db2.gz	BQCOWZUROYYXFD-VHDGCEQUSA-N	1	1	437.331	3.824	20	5		IHBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cc(C)c1[N+](=O)[O-])CC2	ZINC001164719526	720109709	/nfs/dbraw/zinc/10/97/09/720109709.db2.gz	YFZOSEVLFZUXOW-GOSISDBHSA-N	1	1	445.951	3.854	20	5		IHBDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)C2	ZINC001164819450	720177605	/nfs/dbraw/zinc/17/76/05/720177605.db2.gz	XEQFKKQBMHLXIF-RDPSFJRHSA-N	1	1	437.544	3.545	20	5		IHBDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)C2	ZINC001164815310	720199075	/nfs/dbraw/zinc/19/90/75/720199075.db2.gz	YSFZYOQIBUBIBT-YADARESESA-N	1	1	440.519	3.981	20	5		IHBDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164843261	720620585	/nfs/dbraw/zinc/62/05/85/720620585.db2.gz	XFBNNMKSQXDEMJ-XQBPLPMBSA-N	1	1	447.543	3.626	20	5		IHBDMO
c1ncn(C[C@H]2C[C@@H]3CN(c4ccc5ccc6cccnc6c5n4)CC[C@H]3[N@H+]2CC2CC2)n1	ZINC001164741506	720818977	/nfs/dbraw/zinc/81/89/77/720818977.db2.gz	NXGLETKYWPWVEC-DNVJHFABSA-N	1	1	439.567	3.754	20	5		IHBDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)[C@H]2C	ZINC001164858082	721021943	/nfs/dbraw/zinc/02/19/43/721021943.db2.gz	FXFHVXDKZNMTMU-ZDUSSCGKSA-N	1	1	429.912	3.809	20	5		IHBDMO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164867320	721077818	/nfs/dbraw/zinc/07/78/18/721077818.db2.gz	XULSDQHQCNZSEV-IRXDYDNUSA-N	1	1	439.903	3.671	20	5		IHBDMO
O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1-c1ccccc1	ZINC001164872654	721185207	/nfs/dbraw/zinc/18/52/07/721185207.db2.gz	HZZJUIIRRVQHMF-RTWAWAEBSA-N	1	1	431.496	3.532	20	5		IHBDMO
CN(C)/C=C\c1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ncc1[N+](=O)[O-]	ZINC001164796697	721500050	/nfs/dbraw/zinc/50/00/50/721500050.db2.gz	VLUCFUFRCPIHPS-WDZFZDKYSA-N	1	1	436.560	3.798	20	5		IHBDMO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1Cl	ZINC001164896294	721521726	/nfs/dbraw/zinc/52/17/26/721521726.db2.gz	AVQZNIJZTWPGFX-ZFWWWQNUSA-N	1	1	442.825	3.669	20	5		IHBDMO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)cc1	ZINC001164910288	721553003	/nfs/dbraw/zinc/55/30/03/721553003.db2.gz	WFBFKNRPGDPOBD-TZIWHRDSSA-N	1	1	435.459	3.533	20	5		IHBDMO
CC(C)Oc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-]	ZINC001164913123	721729230	/nfs/dbraw/zinc/72/92/30/721729230.db2.gz	TZWNWCTZKOYFMS-NRFANRHFSA-N	1	1	447.486	3.910	20	5		IHBDMO
CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1	ZINC001165028414	721803122	/nfs/dbraw/zinc/80/31/22/721803122.db2.gz	ZBEZNFTXGBSNDP-BPUTZDHNSA-N	1	1	448.980	3.892	20	5		IHBDMO
CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-]	ZINC001164928583	721863851	/nfs/dbraw/zinc/86/38/51/721863851.db2.gz	YSJLDARKONGHGV-IRXDYDNUSA-N	1	1	449.914	3.789	20	5		IHBDMO
CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-]	ZINC001164928583	721863852	/nfs/dbraw/zinc/86/38/52/721863852.db2.gz	YSJLDARKONGHGV-IRXDYDNUSA-N	1	1	449.914	3.789	20	5		IHBDMO
Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5ccc([N+](=O)[O-])cc54)CC3)C2)cc1	ZINC001164938902	721925000	/nfs/dbraw/zinc/92/50/00/721925000.db2.gz	AKCGMGDMSOAYNV-UHFFFAOYSA-N	1	1	433.512	3.718	20	5		IHBDMO
O=[N+]([O-])c1cc(-c2ccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nn2)ccc1Cl	ZINC001164789012	721433375	/nfs/dbraw/zinc/43/33/75/721433375.db2.gz	VJIXKOGQPUBEND-HUUCEWRRSA-N	1	1	442.932	3.730	20	5		IHBDMO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1	ZINC001164896887	721526073	/nfs/dbraw/zinc/52/60/73/721526073.db2.gz	CAGQQNMJOPOWJL-GOEBONIOSA-N	1	1	442.825	3.669	20	5		IHBDMO
O=[N+]([O-])c1ccc2ncc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2c1	ZINC001164907889	721586974	/nfs/dbraw/zinc/58/69/74/721586974.db2.gz	VTJQBPFDJZVWNI-OAQYLSRUSA-N	1	1	440.454	3.671	20	5		IHBDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C[C@H]21	ZINC001165018608	721806601	/nfs/dbraw/zinc/80/66/01/721806601.db2.gz	BQCOWZUROYYXFD-BPLDGKMQSA-N	1	1	437.331	3.824	20	5		IHBDMO
O=[N+]([O-])c1cc(-c2ccc(N3CC[NH+](CCOc4ccccc4)CC3)nn2)ccc1Cl	ZINC001165045564	721961335	/nfs/dbraw/zinc/96/13/35/721961335.db2.gz	YTPHCCSECQBPCD-UHFFFAOYSA-N	1	1	439.903	3.906	20	5		IHBDMO
O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC001308033172	1126162289	/nfs/dbraw/zinc/16/22/89/1126162289.db2.gz	GGNFXHFCAWJLDP-GOEBONIOSA-N	1	1	433.224	3.981	20	5		IHBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2	ZINC001164711534	720096541	/nfs/dbraw/zinc/09/65/41/720096541.db2.gz	QLWNRROEKMKAEH-GOSISDBHSA-N	1	1	431.924	3.546	20	5		IHBDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)CC[C@@H]21	ZINC001164843150	720599365	/nfs/dbraw/zinc/59/93/65/720599365.db2.gz	WYPSVGJJIQWABS-RRPUWOKSSA-N	1	1	447.543	3.626	20	5		IHBDMO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164898814	721523949	/nfs/dbraw/zinc/52/39/49/721523949.db2.gz	JKKGCTVLGXLLOF-GOEBONIOSA-N	1	1	443.866	3.672	20	5		IHBDMO
Cc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164907359	721546600	/nfs/dbraw/zinc/54/66/00/721546600.db2.gz	NCVKLYNWUDPRNO-FPOVZHCZSA-N	1	1	449.486	3.841	20	5		IHBDMO
O=[N+]([O-])c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(Br)c1	ZINC001175699632	1126149120	/nfs/dbraw/zinc/14/91/20/1126149120.db2.gz	VKCZTEBAYYWXFY-HZPDHXFCSA-N	1	1	433.224	3.981	20	5		IHBDMO
O=[N+]([O-])c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(Br)c1	ZINC001175699633	1126149205	/nfs/dbraw/zinc/14/92/05/1126149205.db2.gz	VKCZTEBAYYWXFY-JKSUJKDBSA-N	1	1	433.224	3.981	20	5		IHBDMO