smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164902605 721546261 /nfs/dbraw/zinc/54/62/61/721546261.db2.gz AKZAZHZWEUYWKD-RDJZCZTQSA-N 0 3 402.426 2.870 20 5 HFBDHN COc1cc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC001130122225 1078991840 /nfs/dbraw/zinc/99/18/40/1078991840.db2.gz JUSVIYONYPXEIB-APWZRJJASA-N 0 3 411.458 2.959 20 5 HFBDHN O=C([C@@H]1CCCN1C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000787301086 1076748127 /nfs/dbraw/zinc/74/81/27/1076748127.db2.gz ASOBGVDBPYNAFX-KRWDZBQOSA-N 0 3 412.412 2.889 20 5 HFBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000791981973 1077622364 /nfs/dbraw/zinc/62/23/64/1077622364.db2.gz MBTRPDDQFHUBQL-WMZOPIPTSA-N 0 3 422.441 2.646 20 5 HFBDHN COc1ccc(C[C@H](C)N2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001170344286 1077954186 /nfs/dbraw/zinc/95/41/86/1077954186.db2.gz YCKUPSNTHDNBFY-CECAUBDESA-N 0 3 413.474 2.957 20 5 HFBDHN CN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1Cc1ccccc1 ZINC000792943747 1078023098 /nfs/dbraw/zinc/02/30/98/1078023098.db2.gz TWQVZLSGKCJRNQ-GOSISDBHSA-N 0 3 400.454 2.921 20 5 HFBDHN CN1CCN(CCCOc2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC001130741956 1080004787 /nfs/dbraw/zinc/00/47/87/1080004787.db2.gz GFJUQDYRNCXUSI-UHFFFAOYSA-N 0 3 404.492 2.925 20 5 HFBDHN CCOC(=O)C1CNCC=C1Nc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001170516917 1080242770 /nfs/dbraw/zinc/24/27/70/1080242770.db2.gz KTRBDLABSLVYPX-UHFFFAOYSA-N 0 3 421.251 2.550 20 5 HFBDHN O=[N+]([O-])c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1-c1ccccc1 ZINC001164746656 720802437 /nfs/dbraw/zinc/80/24/37/720802437.db2.gz MHLTVHBLPJMDPU-MSOLQXFVSA-N 0 3 418.457 2.789 20 5 HFBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971417 722113056 /nfs/dbraw/zinc/11/30/56/722113056.db2.gz CKBCMWJAHCIAJA-UWJYYQICSA-N 0 3 420.473 2.660 20 5 HFBDHN CC(C)OCCN1CCC(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790842191 1078143890 /nfs/dbraw/zinc/14/38/90/1078143890.db2.gz DXSBPTWDSRARJH-UHFFFAOYSA-N 0 3 401.866 2.935 20 5 HFBDHN CN1CCN(c2ccncc2NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790872043 1078167537 /nfs/dbraw/zinc/16/75/37/1078167537.db2.gz KIPHTKZQICQTLV-UHFFFAOYSA-N 0 3 407.833 2.715 20 5 HFBDHN COC(=O)COc1ccc(CNC[C@@H]2COC3(CCC(C)CC3)O2)cc1[N+](=O)[O-] ZINC000788963515 1077364770 /nfs/dbraw/zinc/36/47/70/1077364770.db2.gz CJPLAFGYFLCSQJ-CZDRUDQFSA-N 0 3 408.451 2.558 20 5 HFBDHN COc1ccc(NC(=O)CCN[C@@H](CC(=O)N(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170358087 1077949603 /nfs/dbraw/zinc/94/96/03/1077949603.db2.gz LBQFATVTLGRUEU-SFHVURJKSA-N 0 3 414.462 2.741 20 5 HFBDHN O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982049 722100720 /nfs/dbraw/zinc/10/07/20/722100720.db2.gz MMJFDQLEIIJXKB-WBVHZDCISA-N 0 3 403.870 2.766 20 5 HFBDHN NC(=O)c1ccc(NCCOC(=O)c2cccc(CN3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000805884310 1079338300 /nfs/dbraw/zinc/33/83/00/1079338300.db2.gz RNJWPUOELKHMNP-UHFFFAOYSA-N 0 3 412.446 2.558 20 5 HFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000788918884 1077355293 /nfs/dbraw/zinc/35/52/93/1077355293.db2.gz XFNBDWQQEBMZJC-UHFFFAOYSA-N 0 3 420.329 2.854 20 5 HFBDHN COC(=O)COc1ccc(CNC[C@H]2COC3(CCCCCC3)O2)cc1[N+](=O)[O-] ZINC000788963625 1077364548 /nfs/dbraw/zinc/36/45/48/1077364548.db2.gz DETCBOWXQKZJNH-INIZCTEOSA-N 0 3 408.451 2.702 20 5 HFBDHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000790023090 1077917321 /nfs/dbraw/zinc/91/73/21/1077917321.db2.gz UGFSKFZKNOAILO-UHFFFAOYSA-N 0 3 416.887 2.699 20 5 HFBDHN COc1ccc(C[C@H](C)n2cc(Br)ccc2=NCCN)c([N+](=O)[O-])c1 ZINC001170317319 1077941875 /nfs/dbraw/zinc/94/18/75/1077941875.db2.gz FUZYTUFCFLLQMO-LBPRGKRZSA-N 0 3 409.284 2.831 20 5 HFBDHN C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCN(Cc2ccccc2)C1 ZINC001170332912 1077945704 /nfs/dbraw/zinc/94/57/04/1077945704.db2.gz IXBDIAZTBXJQLG-SFHVURJKSA-N 0 3 408.502 2.938 20 5 HFBDHN CC(C)N(C)Cc1nn(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)c2c1CCNC2 ZINC001164683446 719615806 /nfs/dbraw/zinc/61/58/06/719615806.db2.gz JBOILEHBBJKMIG-UHFFFAOYSA-N 0 3 414.844 2.923 20 5 HFBDHN O=[N+]([O-])c1cc(Cl)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979789 722110809 /nfs/dbraw/zinc/11/08/09/722110809.db2.gz QARZBAIMOHEPJE-NVXWUHKLSA-N 0 3 403.870 2.766 20 5 HFBDHN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC2CCN(C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000790836543 1078162108 /nfs/dbraw/zinc/16/21/08/1078162108.db2.gz UHUJWLYFLWCWDH-UHFFFAOYSA-N 0 3 414.484 2.661 20 5 HFBDHN COc1cnccc1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000794343758 1078420910 /nfs/dbraw/zinc/42/09/10/1078420910.db2.gz LAIKVZIJCJVSJK-UHFFFAOYSA-N 0 3 411.462 2.561 20 5 HFBDHN CCN1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)cc2)CC1 ZINC000791322878 1077373533 /nfs/dbraw/zinc/37/35/33/1077373533.db2.gz OPQTYXJBWQXTCW-UHFFFAOYSA-N 0 3 401.442 2.706 20 5 HFBDHN COc1ccc(C[C@@H](C)N2CCC(OCC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170355846 1077949261 /nfs/dbraw/zinc/94/92/61/1077949261.db2.gz RBWTXSRFSMYBRM-MRXNPFEDSA-N 0 3 405.495 2.638 20 5 HFBDHN COc1ccc(C[C@H](C)NCc2ccnc(OCC3CCOCC3)n2)c([N+](=O)[O-])c1 ZINC001170322408 1077943301 /nfs/dbraw/zinc/94/33/01/1077943301.db2.gz GCNPSEHSAKRAJU-HNNXBMFYSA-N 0 3 416.478 2.920 20 5 HFBDHN C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCN(Cc2ccccc2)C1 ZINC001170332910 1077945672 /nfs/dbraw/zinc/94/56/72/1077945672.db2.gz IXBDIAZTBXJQLG-GOSISDBHSA-N 0 3 408.502 2.938 20 5 HFBDHN COc1ccc(C[C@@H](C)N2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170336373 1077947448 /nfs/dbraw/zinc/94/74/48/1077947448.db2.gz XDAMHEDDXNQODY-LXGVVRJTSA-N 0 3 417.506 2.636 20 5 HFBDHN CC(C)(C)OC(=O)NCC[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000792976977 1078031070 /nfs/dbraw/zinc/03/10/70/1078031070.db2.gz HACFNJAMEZBKAL-INIZCTEOSA-N 0 3 409.483 2.714 20 5 HFBDHN COc1cc(CNC2(CO)Cc3ccccc3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505596226 1126095343 /nfs/dbraw/zinc/09/53/43/1126095343.db2.gz KXTMAYDMVQMGGY-UHFFFAOYSA-N 0 3 408.401 2.867 20 5 HFBDHN O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164973176 722112385 /nfs/dbraw/zinc/11/23/85/722112385.db2.gz GTEBHMPFDURTHC-LAUBAEHRSA-N 0 3 420.473 2.660 20 5 HFBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971416 722112850 /nfs/dbraw/zinc/11/28/50/722112850.db2.gz CKBCMWJAHCIAJA-UTKZUKDTSA-N 0 3 420.473 2.660 20 5 HFBDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000805111607 1078895973 /nfs/dbraw/zinc/89/59/73/1078895973.db2.gz ZPLQYMQTCIQKIQ-BXUZGUMPSA-N 0 3 418.313 2.605 20 5 HFBDHN COc1cc(N2CCC(OC(=O)C3CCN(C4CC4)CC3)CC2)ccc1[N+](=O)[O-] ZINC000805885699 1079338247 /nfs/dbraw/zinc/33/82/47/1079338247.db2.gz JHVDMGDKHZYWET-UHFFFAOYSA-N 0 3 403.479 2.990 20 5 HFBDHN COc1cc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OCC(=O)N(C)C ZINC000788651803 1077226456 /nfs/dbraw/zinc/22/64/56/1077226456.db2.gz MIYKANIHNVSNGA-ZDUSSCGKSA-N 0 3 402.451 2.503 20 5 HFBDHN COc1cnccc1N1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000792993773 1078042926 /nfs/dbraw/zinc/04/29/26/1078042926.db2.gz XCFKFMUGUMDRIG-UHFFFAOYSA-N 0 3 405.842 2.684 20 5 HFBDHN CN(CCCN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)Cc1ccco1 ZINC000807413264 1080608877 /nfs/dbraw/zinc/60/88/77/1080608877.db2.gz HVLKMSXRYRYZDB-UHFFFAOYSA-N 0 3 408.842 2.760 20 5 HFBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc([N+](=O)[O-])cc5)nn4)C[C@@H]3C2)cn1 ZINC001164771443 721192308 /nfs/dbraw/zinc/19/23/08/721192308.db2.gz PXAINCJWQJUVTF-OALUTQOASA-N 0 3 419.489 2.744 20 5 HFBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C[C@@H]3C2)cn1 ZINC001164765659 721216235 /nfs/dbraw/zinc/21/62/35/721216235.db2.gz ICWYAIACKBNENH-MSOLQXFVSA-N 0 3 419.489 2.744 20 5 HFBDHN Nc1nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-] ZINC001164906677 721711061 /nfs/dbraw/zinc/71/10/61/721711061.db2.gz NVBGLHJWSPRIIY-SFHVURJKSA-N 0 3 404.421 2.705 20 5 HFBDHN Nc1nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ccc1[N+](=O)[O-] ZINC001164906675 721711593 /nfs/dbraw/zinc/71/15/93/721711593.db2.gz NVBGLHJWSPRIIY-GOSISDBHSA-N 0 3 404.421 2.705 20 5 HFBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790777156 1078130744 /nfs/dbraw/zinc/13/07/44/1078130744.db2.gz HCRKPHDLXJPFOV-MEDUHNTESA-N 0 3 423.311 2.908 20 5 HFBDHN CCN(C)C(=O)OC[C@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000805761455 1079263110 /nfs/dbraw/zinc/26/31/10/1079263110.db2.gz WARLWPHVYFICEJ-MRXNPFEDSA-N 0 3 422.482 2.875 20 5 HFBDHN O=C([C@H]1CCCN1C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000787301087 1076748286 /nfs/dbraw/zinc/74/82/86/1076748286.db2.gz ASOBGVDBPYNAFX-QGZVFWFLSA-N 0 3 412.412 2.889 20 5 HFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000788915302 1077352793 /nfs/dbraw/zinc/35/27/93/1077352793.db2.gz JCMDPADPTGZMBK-UHFFFAOYSA-N 0 3 420.329 2.854 20 5 HFBDHN COC(=O)COc1ccc(CNC[C@@H](O)c2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000788965185 1077365190 /nfs/dbraw/zinc/36/51/90/1077365190.db2.gz UDCVRCZOYIKCOU-OAHLLOKOSA-N 0 3 412.801 2.762 20 5 HFBDHN COC(=O)COc1ccc(CNC[C@@](C)(O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000788966607 1077365450 /nfs/dbraw/zinc/36/54/50/1077365450.db2.gz QKNSRTWABFQAJI-LJQANCHMSA-N 0 3 408.838 2.797 20 5 HFBDHN CCOC(=O)C1CCN(C2CCN(c3nc(Cl)nc(C)c3[N+](=O)[O-])CC2)CC1 ZINC001164614051 719021287 /nfs/dbraw/zinc/02/12/87/719021287.db2.gz BSIFENZSILNEJL-UHFFFAOYSA-N 0 3 411.890 2.591 20 5 HFBDHN CCOc1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164902608 721546074 /nfs/dbraw/zinc/54/60/74/721546074.db2.gz AKZAZHZWEUYWKD-WBVHZDCISA-N 0 3 402.426 2.870 20 5 HFBDHN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)c(C)c1[N+](=O)[O-] ZINC000790850841 1078149496 /nfs/dbraw/zinc/14/94/96/1078149496.db2.gz IGZJLYFUVPETLC-CQSZACIVSA-N 0 3 414.484 2.615 20 5 HFBDHN CCN(CC)CC(=O)N1CCN(c2ccc(C)c(Br)c2[N+](=O)[O-])CC1 ZINC000787896665 1077003088 /nfs/dbraw/zinc/00/30/88/1077003088.db2.gz LKEBJSYMQNNYHK-UHFFFAOYSA-N 0 3 413.316 2.656 20 5 HFBDHN COc1ccc(C[C@](C)(CO)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC001198230830 1126155871 /nfs/dbraw/zinc/15/58/71/1126155871.db2.gz SBLSJWUGUNSQIW-HXUWFJFHSA-N 0 3 400.435 2.572 20 5 HFBDHN CCOC(=O)C1CCN(C2CCN(c3nc(C)nc(Cl)c3[N+](=O)[O-])CC2)CC1 ZINC001164613942 719023382 /nfs/dbraw/zinc/02/33/82/719023382.db2.gz KJXWFERJKPBCKG-UHFFFAOYSA-N 0 3 411.890 2.591 20 5 HFBDHN CNC(=O)CN1CCCC12CCN(c1cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC001164689840 719745942 /nfs/dbraw/zinc/74/59/42/719745942.db2.gz LJFNMEREMLBYPR-UHFFFAOYSA-N 0 3 424.505 2.541 20 5 HFBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C[C@H]3C2)cn1 ZINC001164765673 721215649 /nfs/dbraw/zinc/21/56/49/721215649.db2.gz ICWYAIACKBNENH-ZWKOTPCHSA-N 0 3 419.489 2.744 20 5 HFBDHN O=[N+]([O-])c1ccc2ncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164983364 722103969 /nfs/dbraw/zinc/10/39/69/722103969.db2.gz PQOVUBLJVUJMKD-LAUBAEHRSA-N 0 3 420.473 2.660 20 5 HFBDHN CC(C)NS(=O)(=O)Cc1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788563089 1077201809 /nfs/dbraw/zinc/20/18/09/1077201809.db2.gz KOHFFXBMMSJNTG-CQSZACIVSA-N 0 3 406.508 2.856 20 5 HFBDHN COc1cccc(CN(CCN(C)C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1 ZINC000791341285 1077379789 /nfs/dbraw/zinc/37/97/89/1077379789.db2.gz UUDYAFUCNWFWDT-UHFFFAOYSA-N 0 3 415.475 2.812 20 5 HFBDHN COc1ccc(C[C@@H](C)N2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170341672 1077953610 /nfs/dbraw/zinc/95/36/10/1077953610.db2.gz SFFZMVLHOHGOPT-XPKQXGJGSA-N 0 3 417.506 2.540 20 5 HFBDHN O=[N+]([O-])c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1-c1ccccc1 ZINC001164746659 720802000 /nfs/dbraw/zinc/80/20/00/720802000.db2.gz MHLTVHBLPJMDPU-ROUUACIJSA-N 0 3 418.457 2.789 20 5 HFBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C[C@@H]3C2)cn1 ZINC001164765669 721215156 /nfs/dbraw/zinc/21/51/56/721215156.db2.gz ICWYAIACKBNENH-ROUUACIJSA-N 0 3 419.489 2.744 20 5 HFBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971414 722112938 /nfs/dbraw/zinc/11/29/38/722112938.db2.gz CKBCMWJAHCIAJA-DYESRHJHSA-N 0 3 420.473 2.660 20 5 HFBDHN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCc2ccccc2CN(C)C)c(C)c1[N+](=O)[O-] ZINC000790824931 1078157785 /nfs/dbraw/zinc/15/77/85/1078157785.db2.gz XZCUTJXLKHPRTR-UHFFFAOYSA-N 0 3 422.463 2.660 20 5 HFBDHN O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])C1CCN(C2CC2)CC1 ZINC000805877605 1079318209 /nfs/dbraw/zinc/31/82/09/1079318209.db2.gz MGYYVHIVAYTTQB-QGZVFWFLSA-N 0 3 401.463 2.617 20 5 HFBDHN COc1ccc(C[C@@H](C)N2CCc3ncc(Cn4cccn4)n3CC2)c([N+](=O)[O-])c1 ZINC001170338828 1077951990 /nfs/dbraw/zinc/95/19/90/1077951990.db2.gz DFHDYJLIKXYZOE-MRXNPFEDSA-N 0 3 410.478 2.534 20 5 HFBDHN COc1ccc(C[C@@H](C)N2CCC(NC(=O)C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001170347146 1077954866 /nfs/dbraw/zinc/95/48/66/1077954866.db2.gz QOXLNWMFQRFHNI-OAHLLOKOSA-N 0 3 405.495 2.542 20 5 HFBDHN CC(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000792979880 1078032763 /nfs/dbraw/zinc/03/27/63/1078032763.db2.gz KSZNIDIEZXSPKT-MRXNPFEDSA-N 0 3 402.495 2.918 20 5 HFBDHN C[C@@]1(NC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CCN(Cc2ccccc2)C1 ZINC001130614360 1079642131 /nfs/dbraw/zinc/64/21/31/1079642131.db2.gz VUYOAIVVBMFJDV-JOCHJYFZSA-N 0 3 420.473 2.629 20 5 HFBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc([N+](=O)[O-])cc5)nn4)C[C@@H]3C2)cn1 ZINC001164771442 721193237 /nfs/dbraw/zinc/19/32/37/721193237.db2.gz PXAINCJWQJUVTF-MOPGFXCFSA-N 0 3 419.489 2.744 20 5 HFBDHN O=[N+]([O-])c1cc(Cl)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979790 722110800 /nfs/dbraw/zinc/11/08/00/722110800.db2.gz QARZBAIMOHEPJE-RDJZCZTQSA-N 0 3 403.870 2.766 20 5 HFBDHN CCCN(CCN(CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790870829 1078167524 /nfs/dbraw/zinc/16/75/24/1078167524.db2.gz MGBPICCUCVRBGA-UHFFFAOYSA-N 0 3 416.500 2.862 20 5 HFBDHN COc1ccc(C[C@H](C)N2CCC3(CC2)C(=O)NCN3c2ccccc2)c([N+](=O)[O-])c1 ZINC001170327713 1077944299 /nfs/dbraw/zinc/94/42/99/1077944299.db2.gz HDCUGUBVHNFRNN-KRWDZBQOSA-N 0 3 424.501 2.963 20 5 HFBDHN CN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1Cc1ccccc1 ZINC000792943748 1078023150 /nfs/dbraw/zinc/02/31/50/1078023150.db2.gz TWQVZLSGKCJRNQ-SFHVURJKSA-N 0 3 400.454 2.921 20 5 HFBDHN CC(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000792979879 1078032803 /nfs/dbraw/zinc/03/28/03/1078032803.db2.gz KSZNIDIEZXSPKT-INIZCTEOSA-N 0 3 402.495 2.918 20 5 HFBDHN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000807413458 1080612426 /nfs/dbraw/zinc/61/24/26/1080612426.db2.gz OXPJHUBCHJVJBH-UHFFFAOYSA-N 0 3 406.414 2.554 20 5 HFBDHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790769662 1078128663 /nfs/dbraw/zinc/12/86/63/1078128663.db2.gz HQYSXXZFDREYCL-NSHDSACASA-N 0 3 409.284 2.662 20 5 HFBDHN COc1ccc([C@H](CN(C)C)NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000793513198 1078195510 /nfs/dbraw/zinc/19/55/10/1078195510.db2.gz AJIHPZJXYVBWMN-SFHVURJKSA-N 0 3 416.434 2.863 20 5 HFBDHN CCOC(=O)[C@H]1[C@H](NCCc2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000788796108 1077290273 /nfs/dbraw/zinc/29/02/73/1077290273.db2.gz DSIDJELPLOXPNH-NVXWUHKLSA-N 0 3 407.467 2.668 20 5 HFBDHN CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c2cnccc21 ZINC000791423127 1077395835 /nfs/dbraw/zinc/39/58/35/1077395835.db2.gz RMLKAIZOSVKCRG-UHFFFAOYSA-N 0 3 403.247 2.942 20 5 HFBDHN COc1ccc(C[C@H](C)N2CCC(OCC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170355845 1077949236 /nfs/dbraw/zinc/94/92/36/1077949236.db2.gz RBWTXSRFSMYBRM-INIZCTEOSA-N 0 3 405.495 2.638 20 5 HFBDHN COc1cc2ncnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2cc1[N+](=O)[O-] ZINC001164727732 720387212 /nfs/dbraw/zinc/38/72/12/720387212.db2.gz RFDZRIVOISBCSH-ZWKOTPCHSA-N 0 3 406.446 2.795 20 5 HFBDHN CCOc1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164902602 721546080 /nfs/dbraw/zinc/54/60/80/721546080.db2.gz AKZAZHZWEUYWKD-NVXWUHKLSA-N 0 3 402.426 2.870 20 5 HFBDHN O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2c1 ZINC001164983362 722103827 /nfs/dbraw/zinc/10/38/27/722103827.db2.gz PQOVUBLJVUJMKD-DYESRHJHSA-N 0 3 420.473 2.660 20 5 HFBDHN O=[N+]([O-])c1ccc2ncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164983368 722103856 /nfs/dbraw/zinc/10/38/56/722103856.db2.gz PQOVUBLJVUJMKD-UWJYYQICSA-N 0 3 420.473 2.660 20 5 HFBDHN CCCN1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000790836958 1078140421 /nfs/dbraw/zinc/14/04/21/1078140421.db2.gz VIYFKWLMJNMOFO-UHFFFAOYSA-N 0 3 414.484 2.615 20 5 HFBDHN COc1cc(OCC(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001130124877 1078975270 /nfs/dbraw/zinc/97/52/70/1078975270.db2.gz NHUYLRZZYYYURY-XLIONFOSSA-N 0 3 411.458 2.715 20 5 HFBDHN CN(C)c1cc(F)c(C(=O)NCCCN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000791210398 1077345324 /nfs/dbraw/zinc/34/53/24/1077345324.db2.gz HNNIPNOCLLNZDB-UHFFFAOYSA-N 0 3 400.454 2.978 20 5 HFBDHN CN1CCC(NC(=S)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000789336189 1077527041 /nfs/dbraw/zinc/52/70/41/1077527041.db2.gz BUNZZQARAROOLD-UHFFFAOYSA-N 0 3 413.341 2.684 20 5 HFBDHN COc1ccc(C[C@@H](C)n2nc(C(=O)NC3CCC3)c3c2CCNC3)c([N+](=O)[O-])c1 ZINC001170340864 1077953072 /nfs/dbraw/zinc/95/30/72/1077953072.db2.gz HCRGWOZTNNLKGH-CYBMUJFWSA-N 0 3 413.478 2.532 20 5 HFBDHN COc1ccc(C[C@H](C)N2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341838 1077953592 /nfs/dbraw/zinc/95/35/92/1077953592.db2.gz SNDKGMUSZJDFOT-SGXKBVARSA-N 0 3 415.490 2.960 20 5 HFBDHN COc1ccc(C[C@@H](C)N2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170342884 1077953625 /nfs/dbraw/zinc/95/36/25/1077953625.db2.gz XNJCZDKLIOFRHH-CDMIOBSGSA-N 0 3 413.474 2.957 20 5 HFBDHN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCCN2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000790385287 1078011164 /nfs/dbraw/zinc/01/11/64/1078011164.db2.gz GIWMHKFTFOPXDS-UHFFFAOYSA-N 0 3 414.484 2.520 20 5 HFBDHN Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@@H](C)N(C)C[C@@H]3C)c2c1C ZINC001164635940 719246747 /nfs/dbraw/zinc/24/67/47/719246747.db2.gz RLEMWGXFZQIJAU-NEPJUHHUSA-N 0 3 415.523 2.990 20 5 HFBDHN O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164973184 722112157 /nfs/dbraw/zinc/11/21/57/722112157.db2.gz GTEBHMPFDURTHC-UWJYYQICSA-N 0 3 420.473 2.660 20 5 HFBDHN CN(c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000804529742 1078567822 /nfs/dbraw/zinc/56/78/22/1078567822.db2.gz JBKRKWRZHMPJDL-QGZVFWFLSA-N 0 3 409.490 2.886 20 5 HFBDHN CCN(C)C(=O)OC[C@@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000805761454 1079262951 /nfs/dbraw/zinc/26/29/51/1079262951.db2.gz WARLWPHVYFICEJ-INIZCTEOSA-N 0 3 422.482 2.875 20 5 HFBDHN COC(=O)COc1ccc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000788967073 1077365959 /nfs/dbraw/zinc/36/59/59/1077365959.db2.gz ZYOLNLZIWHSLAD-HNNXBMFYSA-N 0 3 423.466 2.636 20 5 HFBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000791974731 1077615928 /nfs/dbraw/zinc/61/59/28/1077615928.db2.gz GKCGXXNPUDRUPQ-FPOVZHCZSA-N 0 3 422.485 2.858 20 5 HFBDHN COc1ccc(C[C@H](C)N2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170336372 1077947412 /nfs/dbraw/zinc/94/74/12/1077947412.db2.gz XDAMHEDDXNQODY-JGGXIQRISA-N 0 3 417.506 2.636 20 5 HFBDHN COc1ccc(C[C@H](C)N2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170342885 1077953692 /nfs/dbraw/zinc/95/36/92/1077953692.db2.gz XNJCZDKLIOFRHH-CECAUBDESA-N 0 3 413.474 2.957 20 5 HFBDHN COc1ccc(C[C@H](C)N2CCC(NC(=O)C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001170347145 1077954893 /nfs/dbraw/zinc/95/48/93/1077954893.db2.gz QOXLNWMFQRFHNI-HNNXBMFYSA-N 0 3 405.495 2.542 20 5 HFBDHN Cc1c(CN2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000747095872 1078039058 /nfs/dbraw/zinc/03/90/58/1078039058.db2.gz VCVXFXJYOIXAHR-QGZVFWFLSA-N 0 3 420.510 2.756 20 5 HFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 ZINC000807563281 1080818659 /nfs/dbraw/zinc/81/86/59/1080818659.db2.gz BMDXHZLQOOQXRD-MRXNPFEDSA-N 0 3 402.407 2.853 20 5 HFBDHN O=[N+]([O-])c1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164981799 722100726 /nfs/dbraw/zinc/10/07/26/722100726.db2.gz MMJFDQLEIIJXKB-DOTOQJQBSA-N 0 3 403.870 2.766 20 5 HFBDHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790613519 1078076547 /nfs/dbraw/zinc/07/65/47/1078076547.db2.gz DCYQMFJUKDCDNH-UHFFFAOYSA-N 0 3 417.865 2.662 20 5 HFBDHN COc1cc(F)c([N+](=O)[O-])c(N2CCN(CCN(C)Cc3ccccc3)CC2)c1 ZINC000747216146 1078666721 /nfs/dbraw/zinc/66/67/21/1078666721.db2.gz LSZMEBJNYOFEHU-UHFFFAOYSA-N 0 3 402.470 2.997 20 5 HFBDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000805111610 1078895945 /nfs/dbraw/zinc/89/59/45/1078895945.db2.gz ZPLQYMQTCIQKIQ-SMDDNHRTSA-N 0 3 418.313 2.605 20 5 HFBDHN COc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000791337730 1077378312 /nfs/dbraw/zinc/37/83/12/1077378312.db2.gz VIZFVKIHGRAKQD-UHFFFAOYSA-N 0 3 402.407 2.716 20 5 HFBDHN COc1ccc(C[C@@H](C)N2CCC3(CC2)CN(CC2CC2)C(=O)CO3)c([N+](=O)[O-])c1 ZINC001170340851 1077953076 /nfs/dbraw/zinc/95/30/76/1077953076.db2.gz GSXCHKPNQXRWGY-MRXNPFEDSA-N 0 3 417.506 2.638 20 5 HFBDHN O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2c1 ZINC001164983366 722103771 /nfs/dbraw/zinc/10/37/71/722103771.db2.gz PQOVUBLJVUJMKD-UTKZUKDTSA-N 0 3 420.473 2.660 20 5 HFBDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000805111608 1078896048 /nfs/dbraw/zinc/89/60/48/1078896048.db2.gz ZPLQYMQTCIQKIQ-FZMZJTMJSA-N 0 3 418.313 2.605 20 5 HFBDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000805113787 1078898509 /nfs/dbraw/zinc/89/85/09/1078898509.db2.gz PIVAYEDYDCDOHY-SMDDNHRTSA-N 0 3 418.313 2.605 20 5 HFBDHN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN1C ZINC001130098248 1078948882 /nfs/dbraw/zinc/94/88/82/1078948882.db2.gz MLTWMBSGVZEIMS-LLVKDONJSA-N 0 3 417.247 2.674 20 5 HFBDHN COc1ccc(C[C@H](C)N2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341529 1077953478 /nfs/dbraw/zinc/95/34/78/1077953478.db2.gz JXCMXPDPRWPBBB-FAAYRAOTSA-N 0 3 402.451 2.558 20 5 HFBDHN COCCN1C(=O)CCC12CCN([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])CC2 ZINC001170344516 1077954202 /nfs/dbraw/zinc/95/42/02/1077954202.db2.gz ZTWMCLOQYRQSRG-INIZCTEOSA-N 0 3 405.495 2.638 20 5 HFBDHN C[C@]1(NC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CCN(Cc2ccccc2)C1 ZINC001130614361 1079642030 /nfs/dbraw/zinc/64/20/30/1079642030.db2.gz VUYOAIVVBMFJDV-QFIPXVFZSA-N 0 3 420.473 2.629 20 5 HFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H](CO)Cc2ccccc2)c1 ZINC000518844015 1126095916 /nfs/dbraw/zinc/09/59/16/1126095916.db2.gz JYEFLGBWEYURIV-HNNXBMFYSA-N 0 3 412.227 2.893 20 5 HFBDHN Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@@H](C)N(C)C[C@H]3C)c2c1C ZINC001164635954 719246710 /nfs/dbraw/zinc/24/67/10/719246710.db2.gz RLEMWGXFZQIJAU-VXGBXAGGSA-N 0 3 415.523 2.990 20 5 HFBDHN CNC(=O)CN1CCCC12CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC001164690047 719753576 /nfs/dbraw/zinc/75/35/76/719753576.db2.gz RBDAVFSHPKCJEP-UHFFFAOYSA-N 0 3 409.490 2.838 20 5 HFBDHN O=[N+]([O-])c1cc(Cl)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979791 722110499 /nfs/dbraw/zinc/11/04/99/722110499.db2.gz QARZBAIMOHEPJE-WBVHZDCISA-N 0 3 403.870 2.766 20 5 HFBDHN COc1ccc([C@@H](CN(C)C)NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000793513197 1078195579 /nfs/dbraw/zinc/19/55/79/1078195579.db2.gz AJIHPZJXYVBWMN-GOSISDBHSA-N 0 3 416.434 2.863 20 5 HFBDHN CS[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H]1N(C)C ZINC000772845437 1078535040 /nfs/dbraw/zinc/53/50/40/1078535040.db2.gz JQCNASPTDGBVCB-NEPJUHHUSA-N 0 3 406.277 2.614 20 5 HFBDHN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCN1C ZINC001130098249 1078948831 /nfs/dbraw/zinc/94/88/31/1078948831.db2.gz MLTWMBSGVZEIMS-NSHDSACASA-N 0 3 417.247 2.674 20 5 HFBDHN COC(=O)COc1ccc(CNc2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000788969105 1077366148 /nfs/dbraw/zinc/36/61/48/1077366148.db2.gz LHTKEMIQAGUAOE-UHFFFAOYSA-N 0 3 414.462 2.511 20 5 HFBDHN COc1cccc(CN(CCN(C)C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000791337382 1077378454 /nfs/dbraw/zinc/37/84/54/1077378454.db2.gz YGXATFXSNBPMFR-UHFFFAOYSA-N 0 3 405.426 2.712 20 5 HFBDHN CC(C)N1CCN(CCCOC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000791995162 1077640820 /nfs/dbraw/zinc/64/08/20/1077640820.db2.gz PKTBFBBWCBZXLH-UHFFFAOYSA-N 0 3 414.300 2.930 20 5 HFBDHN COc1ccc(C[C@H](C)N2CCc3nnc(Cn4cccc4)n3CC2)c([N+](=O)[O-])c1 ZINC001170338888 1077952339 /nfs/dbraw/zinc/95/23/39/1077952339.db2.gz FBNVAPXCHBLMGI-INIZCTEOSA-N 0 3 410.478 2.534 20 5 HFBDHN COc1ccc(C[C@@H](C)N2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341839 1077953668 /nfs/dbraw/zinc/95/36/68/1077953668.db2.gz SNDKGMUSZJDFOT-TVTNDZMWSA-N 0 3 415.490 2.960 20 5 HFBDHN Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@H](C)N(C)C[C@@H]3C)c2c1C ZINC001164635950 719246896 /nfs/dbraw/zinc/24/68/96/719246896.db2.gz RLEMWGXFZQIJAU-RYUDHWBXSA-N 0 3 415.523 2.990 20 5 HFBDHN O=[N+]([O-])c1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982046 722100656 /nfs/dbraw/zinc/10/06/56/722100656.db2.gz MMJFDQLEIIJXKB-RDJZCZTQSA-N 0 3 403.870 2.766 20 5 HFBDHN O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164973180 722112175 /nfs/dbraw/zinc/11/21/75/722112175.db2.gz GTEBHMPFDURTHC-UTKZUKDTSA-N 0 3 420.473 2.660 20 5 HFBDHN COC(=O)COc1ccc(CNC[C@](C)(O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000788966605 1077365546 /nfs/dbraw/zinc/36/55/46/1077365546.db2.gz QKNSRTWABFQAJI-IBGZPJMESA-N 0 3 408.838 2.797 20 5 HFBDHN COc1ccc(C[C@H](C)N2CCC3(CC2)c2ncc(C)n2CCN3C)c([N+](=O)[O-])c1 ZINC001170343140 1077953955 /nfs/dbraw/zinc/95/39/55/1077953955.db2.gz NXQWPBQNJILZRO-INIZCTEOSA-N 0 3 413.522 2.976 20 5 HFBDHN COc1ccc([C@H](CN(C)C)NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1 ZINC000807563280 1080818693 /nfs/dbraw/zinc/81/86/93/1080818693.db2.gz BMDXHZLQOOQXRD-INIZCTEOSA-N 0 3 402.407 2.853 20 5 HFBDHN CCOc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164979739 722132737 /nfs/dbraw/zinc/13/27/37/722132737.db2.gz LXFVJTKBRSUZIF-PKOBYXMFSA-N 0 3 413.478 2.511 20 5 HFBDHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790769661 1078128729 /nfs/dbraw/zinc/12/87/29/1078128729.db2.gz HQYSXXZFDREYCL-LLVKDONJSA-N 0 3 409.284 2.662 20 5 HFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000790851075 1078149123 /nfs/dbraw/zinc/14/91/23/1078149123.db2.gz BNVCBEVRARVNHK-SMDDNHRTSA-N 0 3 414.484 2.613 20 5 HFBDHN COc1cnccc1N1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000794342903 1078420495 /nfs/dbraw/zinc/42/04/95/1078420495.db2.gz IYWQXSKCMJMLEV-UHFFFAOYSA-N 0 3 408.817 2.682 20 5 HFBDHN CN1C(C)(C)CC(Nc2nc(S(C)(=O)=O)nc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC001170454538 1078539795 /nfs/dbraw/zinc/53/97/95/1078539795.db2.gz WOQCOQUZBNSGDZ-UHFFFAOYSA-N 0 3 405.908 2.505 20 5 HFBDHN CCCN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000804567537 1078601773 /nfs/dbraw/zinc/60/17/73/1078601773.db2.gz PGLRFZYZVDBZNM-UHFFFAOYSA-N 0 3 404.511 2.770 20 5 HFBDHN C[C@@H]1CN(CCCCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000791134326 1077316060 /nfs/dbraw/zinc/31/60/60/1077316060.db2.gz WLFLCWHCCZPEHQ-BETUJISGSA-N 0 3 401.866 2.935 20 5 HFBDHN CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789521117 1077615501 /nfs/dbraw/zinc/61/55/01/1077615501.db2.gz KHNLLIGIJGLEPI-GOSISDBHSA-N 0 3 424.457 2.626 20 5 HFBDHN CC(C)N1CCN(CCCOC(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 ZINC000792182460 1077737336 /nfs/dbraw/zinc/73/73/36/1077737336.db2.gz HXUXDMPISSAUQR-UHFFFAOYSA-N 0 3 420.329 2.992 20 5 HFBDHN COc1ccc(C[C@@H](C)NCc2ccnc(OC3CCOCC3)n2)c([N+](=O)[O-])c1 ZINC001170321402 1077943015 /nfs/dbraw/zinc/94/30/15/1077943015.db2.gz BITNKDBPQZNWQQ-CQSZACIVSA-N 0 3 402.451 2.672 20 5 HFBDHN COc1ccc(C[C@@H](C)N2CCC3(CC2)C(=O)NCN3c2ccccc2)c([N+](=O)[O-])c1 ZINC001170327717 1077944314 /nfs/dbraw/zinc/94/43/14/1077944314.db2.gz HDCUGUBVHNFRNN-QGZVFWFLSA-N 0 3 424.501 2.963 20 5 HFBDHN COc1ccc(C[C@@H](C)N2C[C@@H]3COC[C@]3(COc3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001170344285 1077954156 /nfs/dbraw/zinc/95/41/56/1077954156.db2.gz YCKUPSNTHDNBFY-CDMIOBSGSA-N 0 3 413.474 2.957 20 5 HFBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc([N+](=O)[O-])cc5)nn4)C[C@H]3C2)cn1 ZINC001164771445 721193331 /nfs/dbraw/zinc/19/33/31/721193331.db2.gz PXAINCJWQJUVTF-RTBURBONSA-N 0 3 419.489 2.744 20 5 HFBDHN O=[N+]([O-])c1cc(Cl)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979788 722110469 /nfs/dbraw/zinc/11/04/69/722110469.db2.gz QARZBAIMOHEPJE-DOTOQJQBSA-N 0 3 403.870 2.766 20 5 HFBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790777158 1078131157 /nfs/dbraw/zinc/13/11/57/1078131157.db2.gz HCRKPHDLXJPFOV-ZBEGNZNMSA-N 0 3 423.311 2.908 20 5 HFBDHN CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000790851060 1078149526 /nfs/dbraw/zinc/14/95/26/1078149526.db2.gz BNVCBEVRARVNHK-BXUZGUMPSA-N 0 3 414.484 2.613 20 5 HFBDHN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)c(C)c1[N+](=O)[O-] ZINC000790850840 1078149541 /nfs/dbraw/zinc/14/95/41/1078149541.db2.gz IGZJLYFUVPETLC-AWEZNQCLSA-N 0 3 414.484 2.615 20 5 HFBDHN CN(c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000804529741 1078567916 /nfs/dbraw/zinc/56/79/16/1078567916.db2.gz JBKRKWRZHMPJDL-KRWDZBQOSA-N 0 3 409.490 2.886 20 5 HFBDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000805113785 1078898516 /nfs/dbraw/zinc/89/85/16/1078898516.db2.gz PIVAYEDYDCDOHY-FZMZJTMJSA-N 0 3 418.313 2.605 20 5 HFBDHN CCOC(=O)[C@@H]1[C@H](NCCc2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000788796250 1077290256 /nfs/dbraw/zinc/29/02/56/1077290256.db2.gz DSIDJELPLOXPNH-WBVHZDCISA-N 0 3 407.467 2.668 20 5 HFBDHN COc1ccc(C[C@H](C)N2C[C@@H](NC(=O)C3CC3)[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170342365 1077953647 /nfs/dbraw/zinc/95/36/47/1077953647.db2.gz VMFODLXTVUYIDX-RDDTUUHWSA-N 0 3 417.506 2.540 20 5 HFBDHN CNC(=O)CN1CCCC12CCN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CC2 ZINC001164681775 719714081 /nfs/dbraw/zinc/71/40/81/719714081.db2.gz AKMVQUXSENZBTP-UHFFFAOYSA-N 0 3 417.897 2.977 20 5 HFBDHN O=[N+]([O-])c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc2[nH]ccc21 ZINC001164981123 722131337 /nfs/dbraw/zinc/13/13/37/722131337.db2.gz OODGGLHDTPMVEL-QFBILLFUSA-N 0 3 408.462 2.593 20 5 HFBDHN O=[N+]([O-])c1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc2[nH]ccc21 ZINC001164981121 722131771 /nfs/dbraw/zinc/13/17/71/722131771.db2.gz OODGGLHDTPMVEL-LPHOPBHVSA-N 0 3 408.462 2.593 20 5 HFBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790777152 1078130794 /nfs/dbraw/zinc/13/07/94/1078130794.db2.gz HCRKPHDLXJPFOV-BDJLRTHQSA-N 0 3 423.311 2.908 20 5 HFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790882657 1078169671 /nfs/dbraw/zinc/16/96/71/1078169671.db2.gz CRUQAUFJBRUGJU-UHFFFAOYSA-N 0 3 414.484 2.616 20 5 HFBDHN CS[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@H]1N(C)C ZINC000772845439 1078535081 /nfs/dbraw/zinc/53/50/81/1078535081.db2.gz JQCNASPTDGBVCB-NWDGAFQWSA-N 0 3 406.277 2.614 20 5 HFBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805799550 1079279939 /nfs/dbraw/zinc/27/99/39/1079279939.db2.gz UQSLFXNPYVPGJU-ZFWWWQNUSA-N 0 3 422.482 2.920 20 5 HFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000788915861 1077353915 /nfs/dbraw/zinc/35/39/15/1077353915.db2.gz LYQJPHZSJIDOJK-UHFFFAOYSA-N 0 3 420.329 2.854 20 5 HFBDHN COc1ccc(C[C@@H](C)NCc2cc(OC3CCOCC3)ncn2)c([N+](=O)[O-])c1 ZINC001170322897 1077943313 /nfs/dbraw/zinc/94/33/13/1077943313.db2.gz IGROXDXCZXXJLF-CQSZACIVSA-N 0 3 402.451 2.672 20 5 HFBDHN COc1ccc(NC(=O)CCN[C@H](CC(=O)N(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170358086 1077949559 /nfs/dbraw/zinc/94/95/59/1077949559.db2.gz LBQFATVTLGRUEU-GOSISDBHSA-N 0 3 414.462 2.741 20 5 HFBDHN COc1ccc(C[C@H](C)N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170339828 1077952582 /nfs/dbraw/zinc/95/25/82/1077952582.db2.gz JXCMXPDPRWPBBB-CUJLYAAOSA-N 0 3 402.451 2.558 20 5 HFBDHN COc1ccc(C[C@@H](C)N2C[C@@H](NC(=O)C3CC3)[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170342364 1077953602 /nfs/dbraw/zinc/95/36/02/1077953602.db2.gz VMFODLXTVUYIDX-GQNJESKTSA-N 0 3 417.506 2.540 20 5 HFBDHN COc1ccc(C[C@@H](C)N2CCC3(CC2)c2ncc(C)n2CCN3C)c([N+](=O)[O-])c1 ZINC001170343142 1077953820 /nfs/dbraw/zinc/95/38/20/1077953820.db2.gz NXQWPBQNJILZRO-MRXNPFEDSA-N 0 3 413.522 2.976 20 5 HFBDHN COc1cc2ncnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2cc1[N+](=O)[O-] ZINC001164727705 720386193 /nfs/dbraw/zinc/38/61/93/720386193.db2.gz RFDZRIVOISBCSH-MSOLQXFVSA-N 0 3 406.446 2.795 20 5 HFBDHN CC(C)Oc1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164878328 721158795 /nfs/dbraw/zinc/15/87/95/721158795.db2.gz PSRWRTBMNWQGHT-ROUUACIJSA-N 0 3 413.478 2.652 20 5 HFBDHN CCOc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164979738 722132350 /nfs/dbraw/zinc/13/23/50/722132350.db2.gz LXFVJTKBRSUZIF-MJGOQNOKSA-N 0 3 413.478 2.511 20 5 HFBDHN CCOc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164979737 722132531 /nfs/dbraw/zinc/13/25/31/722132531.db2.gz LXFVJTKBRSUZIF-IEBWSBKVSA-N 0 3 413.478 2.511 20 5 HFBDHN CC(C)(C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000790936290 1077240260 /nfs/dbraw/zinc/24/02/60/1077240260.db2.gz PPTDLQJDZPMZNB-UHFFFAOYSA-N 0 3 420.329 2.758 20 5 HFBDHN COC(=O)COc1ccc(CNC[C@@H]2COC3(CCCCCC3)O2)cc1[N+](=O)[O-] ZINC000788963630 1077364450 /nfs/dbraw/zinc/36/44/50/1077364450.db2.gz DETCBOWXQKZJNH-MRXNPFEDSA-N 0 3 408.451 2.702 20 5 HFBDHN COc1ccc(C[C@@H](C)n2cc(Br)ccc2=NCCN)c([N+](=O)[O-])c1 ZINC001170317318 1077941948 /nfs/dbraw/zinc/94/19/48/1077941948.db2.gz FUZYTUFCFLLQMO-GFCCVEGCSA-N 0 3 409.284 2.831 20 5 HFBDHN COc1ccc(C[C@H](C)NCc2ccnc(OC3CCOCC3)n2)c([N+](=O)[O-])c1 ZINC001170321401 1077942972 /nfs/dbraw/zinc/94/29/72/1077942972.db2.gz BITNKDBPQZNWQQ-AWEZNQCLSA-N 0 3 402.451 2.672 20 5 HFBDHN COc1ccc(C[C@@H](C)N2CCc3nnc(Cn4cccc4)n3CC2)c([N+](=O)[O-])c1 ZINC001170338889 1077952298 /nfs/dbraw/zinc/95/22/98/1077952298.db2.gz FBNVAPXCHBLMGI-MRXNPFEDSA-N 0 3 410.478 2.534 20 5 HFBDHN CCOC(=O)C1CCN(C2CCN(c3nc(C)cc(OC)c3[N+](=O)[O-])CC2)CC1 ZINC001164614655 719025764 /nfs/dbraw/zinc/02/57/64/719025764.db2.gz WIYYQNZLGYPBGI-UHFFFAOYSA-N 0 3 406.483 2.551 20 5 HFBDHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccccc5[N+](=O)[O-])nn4)C[C@H]3C2)cn1 ZINC001164765663 721215189 /nfs/dbraw/zinc/21/51/89/721215189.db2.gz ICWYAIACKBNENH-QZTJIDSGSA-N 0 3 419.489 2.744 20 5 HFBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000805111609 1078895959 /nfs/dbraw/zinc/89/59/59/1078895959.db2.gz ZPLQYMQTCIQKIQ-RISCZKNCSA-N 0 3 418.313 2.605 20 5 HFBDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788914686 1077351849 /nfs/dbraw/zinc/35/18/49/1077351849.db2.gz DEVGNVFLOYWZNN-UHFFFAOYSA-N 0 3 420.329 2.854 20 5 HFBDHN COC(=O)COc1ccc(CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000788967076 1077365991 /nfs/dbraw/zinc/36/59/91/1077365991.db2.gz ZYOLNLZIWHSLAD-OAHLLOKOSA-N 0 3 423.466 2.636 20 5 HFBDHN COc1ccc(C[C@@H](C)N2C[C@@H]3COC[C@]3(CNC(=O)CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001170341568 1077953466 /nfs/dbraw/zinc/95/34/66/1077953466.db2.gz RKTMRMRKNQRPHV-CDMIOBSGSA-N 0 3 419.522 2.645 20 5 HFBDHN CCOC(=O)C1CNCC=C1Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc(Cl)c1C ZINC001170515322 1080188770 /nfs/dbraw/zinc/18/87/70/1080188770.db2.gz IOWLFXKJOKKBSG-UHFFFAOYSA-N 0 3 417.853 2.658 20 5 HFBDHN O=[N+]([O-])c1cc(I)cc(CNC2(CO)Cc3ccccc3C2)c1 ZINC000578372130 1126098214 /nfs/dbraw/zinc/09/82/14/1126098214.db2.gz PIYSFPQEJDBOSS-UHFFFAOYSA-N 0 3 424.238 2.819 20 5 HFBDHN CC(C)N(C)Cc1nn(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)c2c1CCNC2 ZINC001164683233 719612252 /nfs/dbraw/zinc/61/22/52/719612252.db2.gz HWYWIXIKTHILLC-UHFFFAOYSA-N 0 3 414.844 2.923 20 5 HFBDHN COc1cc2ncnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2cc1[N+](=O)[O-] ZINC001164727726 720387377 /nfs/dbraw/zinc/38/73/77/720387377.db2.gz RFDZRIVOISBCSH-ROUUACIJSA-N 0 3 406.446 2.795 20 5 HFBDHN O=[N+]([O-])c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1-c1ccccc1 ZINC001164746660 720802409 /nfs/dbraw/zinc/80/24/09/720802409.db2.gz MHLTVHBLPJMDPU-ZWKOTPCHSA-N 0 3 418.457 2.789 20 5 HFBDHN O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982042 722100500 /nfs/dbraw/zinc/10/05/00/722100500.db2.gz MMJFDQLEIIJXKB-NVXWUHKLSA-N 0 3 403.870 2.766 20 5 HFBDHN Cc1ccc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1Br ZINC000804567791 1078604556 /nfs/dbraw/zinc/60/45/56/1078604556.db2.gz YMEUDPNLACLOSX-AWEZNQCLSA-N 0 3 411.300 2.584 20 5 HFBDHN CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788563088 1077201749 /nfs/dbraw/zinc/20/17/49/1077201749.db2.gz KOHFFXBMMSJNTG-AWEZNQCLSA-N 0 3 406.508 2.856 20 5 HFBDHN CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789521121 1077615444 /nfs/dbraw/zinc/61/54/44/1077615444.db2.gz KHNLLIGIJGLEPI-SFHVURJKSA-N 0 3 424.457 2.626 20 5 HFBDHN COc1ccc(C[C@@H](C)N2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)c([N+](=O)[O-])c1 ZINC001170335689 1077947022 /nfs/dbraw/zinc/94/70/22/1077947022.db2.gz QJKQLFFJXLDHBL-UKHYVGRKSA-N 0 3 417.506 2.636 20 5 HFBDHN COc1ccc(C[C@H](C)N2CCC3(CC2)CN(CC2CC2)C(=O)CO3)c([N+](=O)[O-])c1 ZINC001170340850 1077953141 /nfs/dbraw/zinc/95/31/41/1077953141.db2.gz GSXCHKPNQXRWGY-INIZCTEOSA-N 0 3 417.506 2.638 20 5 HFBDHN C[C@]1(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CCN(Cc2ccccc2)C1 ZINC001130610536 1079630087 /nfs/dbraw/zinc/63/00/87/1079630087.db2.gz SDIBPUVFWFXEBC-NRFANRHFSA-N 0 3 406.446 2.570 20 5 HFBDHN COc1ccc(C[C@@](C)(CO)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC001198230827 1126155892 /nfs/dbraw/zinc/15/58/92/1126155892.db2.gz SBLSJWUGUNSQIW-FQEVSTJZSA-N 0 3 400.435 2.572 20 5 HFBDHN O=[N+]([O-])c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1-c1ccccc1 ZINC001164746658 720802372 /nfs/dbraw/zinc/80/23/72/720802372.db2.gz MHLTVHBLPJMDPU-QZTJIDSGSA-N 0 3 418.457 2.789 20 5 HFBDHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc([N+](=O)[O-])cc5)nn4)C[C@H]3C2)cn1 ZINC001164771444 721192166 /nfs/dbraw/zinc/19/21/66/721192166.db2.gz PXAINCJWQJUVTF-RBUKOAKNSA-N 0 3 419.489 2.744 20 5 HFBDHN O=[N+]([O-])c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc2[nH]ccc21 ZINC001164981119 722131747 /nfs/dbraw/zinc/13/17/47/722131747.db2.gz OODGGLHDTPMVEL-APWZRJJASA-N 0 3 408.462 2.593 20 5 HFBDHN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000790824221 1078157243 /nfs/dbraw/zinc/15/72/43/1078157243.db2.gz SGFUGVDUOCQJBY-UHFFFAOYSA-N 0 3 414.484 2.613 20 5 HFBDHN COC(=O)COc1ccc(CNC[C@H](O)c2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000788965183 1077365281 /nfs/dbraw/zinc/36/52/81/1077365281.db2.gz UDCVRCZOYIKCOU-HNNXBMFYSA-N 0 3 412.801 2.762 20 5 HFBDHN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1 ZINC000791390646 1077397024 /nfs/dbraw/zinc/39/70/24/1077397024.db2.gz CSPSJDOKGHQSDX-SFHVURJKSA-N 0 3 402.426 2.892 20 5 HFBDHN COc1ccc(C[C@H](C)N2CCc3ncc(Cn4cccn4)n3CC2)c([N+](=O)[O-])c1 ZINC001170338827 1077952089 /nfs/dbraw/zinc/95/20/89/1077952089.db2.gz DFHDYJLIKXYZOE-INIZCTEOSA-N 0 3 410.478 2.534 20 5 HFBDHN COc1ccc(C[C@H](C)n2nc(C(=O)NC3CCC3)c3c2CCNC3)c([N+](=O)[O-])c1 ZINC001170340865 1077953155 /nfs/dbraw/zinc/95/31/55/1077953155.db2.gz HCRGWOZTNNLKGH-ZDUSSCGKSA-N 0 3 413.478 2.532 20 5 HFBDHN CC(C)Oc1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164878325 721158861 /nfs/dbraw/zinc/15/88/61/721158861.db2.gz PSRWRTBMNWQGHT-QZTJIDSGSA-N 0 3 413.478 2.652 20 5 HFBDHN O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164973915 722127104 /nfs/dbraw/zinc/12/71/04/722127104.db2.gz HZDNBIKUHIXZCS-LPHOPBHVSA-N 0 3 408.462 2.593 20 5 HFBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001129584902 1078583713 /nfs/dbraw/zinc/58/37/13/1078583713.db2.gz LHTYKEUTORLNFR-UHFFFAOYSA-N 0 3 414.491 2.500 20 5 HFBDHN CCCN(CCN1CCCC1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000804808792 1078636954 /nfs/dbraw/zinc/63/69/54/1078636954.db2.gz KYEHTYBUXKKWGR-UHFFFAOYSA-N 0 3 410.540 2.692 20 5 HFBDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccsc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001129701495 1078660049 /nfs/dbraw/zinc/66/00/49/1078660049.db2.gz SZVNUMRSKMZCRF-UHFFFAOYSA-N 0 3 414.491 2.749 20 5 HFBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805801542 1079280492 /nfs/dbraw/zinc/28/04/92/1079280492.db2.gz OXKCTEGTXLFWHX-ZFWWWQNUSA-N 0 3 422.482 2.920 20 5 HFBDHN O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])C1CCN(C2CC2)CC1 ZINC000805877604 1079318245 /nfs/dbraw/zinc/31/82/45/1079318245.db2.gz MGYYVHIVAYTTQB-KRWDZBQOSA-N 0 3 401.463 2.617 20 5 HFBDHN C[C@H]1CN(CCCCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000791134328 1077316046 /nfs/dbraw/zinc/31/60/46/1077316046.db2.gz WLFLCWHCCZPEHQ-STQMWFEESA-N 0 3 401.866 2.935 20 5 HFBDHN C[C@@H]1CN(CCCCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000791134327 1077316187 /nfs/dbraw/zinc/31/61/87/1077316187.db2.gz WLFLCWHCCZPEHQ-CHWSQXEVSA-N 0 3 401.866 2.935 20 5 HFBDHN Cc1sc2nc(Cn3cnc([N+](=O)[O-])c3)nc(N3C[C@H](C)N(C)C[C@H]3C)c2c1C ZINC001164635947 719246660 /nfs/dbraw/zinc/24/66/60/719246660.db2.gz RLEMWGXFZQIJAU-NWDGAFQWSA-N 0 3 415.523 2.990 20 5 HFBDHN O=[N+]([O-])c1c[nH]c2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc21 ZINC001164962366 722057422 /nfs/dbraw/zinc/05/74/22/722057422.db2.gz DHUOJMYOVDPBBX-UHFFFAOYSA-N 0 3 422.489 2.985 20 5 HFBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790777153 1078130881 /nfs/dbraw/zinc/13/08/81/1078130881.db2.gz HCRKPHDLXJPFOV-BZNIZROVSA-N 0 3 423.311 2.908 20 5 HFBDHN COC(=O)COc1ccc(CNC[C@H](O)c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000788963445 1077364535 /nfs/dbraw/zinc/36/45/35/1077364535.db2.gz CADQBRLUAMSUKS-INIZCTEOSA-N 0 3 412.801 2.762 20 5 HFBDHN CCN(CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C)C(C)C ZINC000790050767 1077929934 /nfs/dbraw/zinc/92/99/34/1077929934.db2.gz BLZOIHPNMBUVJE-UHFFFAOYSA-N 0 3 408.318 2.674 20 5 HFBDHN COc1ccc(C[C@H](C)N2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170341670 1077953402 /nfs/dbraw/zinc/95/34/02/1077953402.db2.gz SFFZMVLHOHGOPT-CMBBURJTSA-N 0 3 417.506 2.540 20 5 HFBDHN C[C@@]1(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CCN(Cc2ccccc2)C1 ZINC001130610538 1079630038 /nfs/dbraw/zinc/63/00/38/1079630038.db2.gz SDIBPUVFWFXEBC-OAQYLSRUSA-N 0 3 406.446 2.570 20 5 HFBDHN O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164973920 722126986 /nfs/dbraw/zinc/12/69/86/722126986.db2.gz HZDNBIKUHIXZCS-VQIMIIECSA-N 0 3 408.462 2.593 20 5 HFBDHN O=[N+]([O-])c1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc2[nH]ccc21 ZINC001164981125 722131695 /nfs/dbraw/zinc/13/16/95/722131695.db2.gz OODGGLHDTPMVEL-VQIMIIECSA-N 0 3 408.462 2.593 20 5 HFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000790851065 1078149140 /nfs/dbraw/zinc/14/91/40/1078149140.db2.gz BNVCBEVRARVNHK-FZMZJTMJSA-N 0 3 414.484 2.613 20 5 HFBDHN CC(C)CN(C(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O)C1CCN(C)CC1 ZINC001129572435 1078565341 /nfs/dbraw/zinc/56/53/41/1078565341.db2.gz LRTMQQMIGWCHJH-UHFFFAOYSA-N 0 3 424.448 2.612 20 5 HFBDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000805113784 1078898483 /nfs/dbraw/zinc/89/84/83/1078898483.db2.gz PIVAYEDYDCDOHY-BXUZGUMPSA-N 0 3 418.313 2.605 20 5 HFBDHN COc1cccc(CN(CCN(C)C)C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000791341946 1077379938 /nfs/dbraw/zinc/37/99/38/1077379938.db2.gz YNIKIPNUHMLHLG-UHFFFAOYSA-N 0 3 411.462 2.544 20 5 HFBDHN COc1ccc(OC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)cc1[N+](=O)[O-] ZINC000792589600 1077924643 /nfs/dbraw/zinc/92/46/43/1077924643.db2.gz GRCYZTGIFAKCJJ-UHFFFAOYSA-N 0 3 423.429 2.700 20 5 HFBDHN COc1ccc(C[C@H](C)N2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)c([N+](=O)[O-])c1 ZINC001170335684 1077947007 /nfs/dbraw/zinc/94/70/07/1077947007.db2.gz QJKQLFFJXLDHBL-ICSUOEFDSA-N 0 3 417.506 2.636 20 5 HFBDHN COCCN1C(=O)CCC12CCN([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])CC2 ZINC001170344517 1077954165 /nfs/dbraw/zinc/95/41/65/1077954165.db2.gz ZTWMCLOQYRQSRG-MRXNPFEDSA-N 0 3 405.495 2.638 20 5 HFBDHN CNC(=O)CN1CCCC12CCN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)CC2 ZINC001164684664 719726006 /nfs/dbraw/zinc/72/60/06/719726006.db2.gz JGZHRIYTUNHYAE-UHFFFAOYSA-N 0 3 417.897 2.977 20 5 HFBDHN CC(C)Oc1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164878324 721159472 /nfs/dbraw/zinc/15/94/72/721159472.db2.gz PSRWRTBMNWQGHT-MSOLQXFVSA-N 0 3 413.478 2.652 20 5 HFBDHN O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164973173 722112122 /nfs/dbraw/zinc/11/21/22/722112122.db2.gz GTEBHMPFDURTHC-DYESRHJHSA-N 0 3 420.473 2.660 20 5 HFBDHN CCCCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000790835181 1078161573 /nfs/dbraw/zinc/16/15/73/1078161573.db2.gz WVGCRVQWZPIUPA-UHFFFAOYSA-N 0 3 414.484 2.663 20 5 HFBDHN O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001129564763 1078558398 /nfs/dbraw/zinc/55/83/98/1078558398.db2.gz YCTGZQGNCYJEIH-VQTJNVASSA-N 0 3 423.448 2.715 20 5 HFBDHN COc1cc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OCC(=O)N(C)C ZINC000788651802 1077226432 /nfs/dbraw/zinc/22/64/32/1077226432.db2.gz MIYKANIHNVSNGA-CYBMUJFWSA-N 0 3 402.451 2.503 20 5 HFBDHN COC(=O)COc1ccc(CNC[C@H]2COC3(CCC(C)CC3)O2)cc1[N+](=O)[O-] ZINC000788963521 1077364713 /nfs/dbraw/zinc/36/47/13/1077364713.db2.gz CJPLAFGYFLCSQJ-FXUPRZHBSA-N 0 3 408.451 2.558 20 5 HFBDHN COC(=O)COc1ccc(CNC[C@](C)(O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000788965192 1077365256 /nfs/dbraw/zinc/36/52/56/1077365256.db2.gz KPKREBFHZLQZSD-IBGZPJMESA-N 0 3 408.838 2.797 20 5 HFBDHN COc1ccc(C[C@@H](C)N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170339831 1077952593 /nfs/dbraw/zinc/95/25/93/1077952593.db2.gz JXCMXPDPRWPBBB-SKTNGFFKSA-N 0 3 402.451 2.558 20 5 HFBDHN COc1ccc(C[C@H](C)N2C[C@@H]3COC[C@]3(CNC(=O)CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001170341571 1077953456 /nfs/dbraw/zinc/95/34/56/1077953456.db2.gz RKTMRMRKNQRPHV-CECAUBDESA-N 0 3 419.522 2.645 20 5 HFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H](CO)Cc2ccccc2)c1 ZINC000578053277 1126098013 /nfs/dbraw/zinc/09/80/13/1126098013.db2.gz JYEFLGBWEYURIV-OAHLLOKOSA-N 0 3 412.227 2.893 20 5 HFBDHN CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)c2c1CCNC2 ZINC001164685037 719605080 /nfs/dbraw/zinc/60/50/80/719605080.db2.gz QGGSODQYDADOAF-UHFFFAOYSA-N 0 3 414.844 2.923 20 5 HFBDHN COc1cc2ncnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2cc1[N+](=O)[O-] ZINC001164727714 720387303 /nfs/dbraw/zinc/38/73/03/720387303.db2.gz RFDZRIVOISBCSH-QZTJIDSGSA-N 0 3 406.446 2.795 20 5 HFBDHN O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164973913 722127448 /nfs/dbraw/zinc/12/74/48/722127448.db2.gz HZDNBIKUHIXZCS-APWZRJJASA-N 0 3 408.462 2.593 20 5 HFBDHN CCOc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164979736 722132088 /nfs/dbraw/zinc/13/20/88/722132088.db2.gz LXFVJTKBRSUZIF-HKUYNNGSSA-N 0 3 413.478 2.511 20 5 HFBDHN CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000790851070 1078149160 /nfs/dbraw/zinc/14/91/60/1078149160.db2.gz BNVCBEVRARVNHK-RISCZKNCSA-N 0 3 414.484 2.613 20 5 HFBDHN CCOC(=O)[C@H]1[C@@H](NCCc2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000788796106 1077290293 /nfs/dbraw/zinc/29/02/93/1077290293.db2.gz DSIDJELPLOXPNH-DOTOQJQBSA-N 0 3 407.467 2.668 20 5 HFBDHN COC(=O)COc1ccc(CNC[C@@](C)(O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000788965193 1077365330 /nfs/dbraw/zinc/36/53/30/1077365330.db2.gz KPKREBFHZLQZSD-LJQANCHMSA-N 0 3 408.838 2.797 20 5 HFBDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cc1 ZINC000791390208 1077396960 /nfs/dbraw/zinc/39/69/60/1077396960.db2.gz CSPSJDOKGHQSDX-GOSISDBHSA-N 0 3 402.426 2.892 20 5 HFBDHN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000791779463 1077549687 /nfs/dbraw/zinc/54/96/87/1077549687.db2.gz OCHFCMDTTYCBRW-ZDUSSCGKSA-N 0 3 421.312 2.878 20 5 HFBDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000791982621 1077621700 /nfs/dbraw/zinc/62/17/00/1077621700.db2.gz XYLVINWELSAOHT-HKUYNNGSSA-N 0 3 418.457 2.932 20 5 HFBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(Oc2ccc(F)nc2)CC1 ZINC000792383469 1077847772 /nfs/dbraw/zinc/84/77/72/1077847772.db2.gz AGXRTXJFGRMNEK-UHFFFAOYSA-N 0 3 416.409 2.970 20 5 HFBDHN COc1ccc(C[C@H](C)NCc2cc(OC3CCOCC3)ncn2)c([N+](=O)[O-])c1 ZINC001170322896 1077943335 /nfs/dbraw/zinc/94/33/35/1077943335.db2.gz IGROXDXCZXXJLF-AWEZNQCLSA-N 0 3 402.451 2.672 20 5 HFBDHN COc1ccc(C[C@@H](C)N2C[C@@H]3C[C@H](Cc4nc(C)no4)O[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341528 1077953415 /nfs/dbraw/zinc/95/34/15/1077953415.db2.gz JXCMXPDPRWPBBB-AHAHFWPDSA-N 0 3 402.451 2.558 20 5 HFBDHN O=C(CN1CCCc2ccccc2CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001170342499 1077953652 /nfs/dbraw/zinc/95/36/52/1077953652.db2.gz OGICFMXJJFCETM-UHFFFAOYSA-N 0 3 408.502 2.734 20 5 HFBDHN CC(C)(C)OC(=O)NCC[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000792976981 1078031017 /nfs/dbraw/zinc/03/10/17/1078031017.db2.gz HACFNJAMEZBKAL-MRXNPFEDSA-N 0 3 409.483 2.714 20 5 HFBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2Cc3ccccc3[C@H]2O)c1 ZINC001560615167 1126213645 /nfs/dbraw/zinc/21/36/45/1126213645.db2.gz IRYARJIZIXEBMO-HZPDHXFCSA-N 0 3 410.211 2.947 20 5 HFBDHN CNC(=O)CN1CCCC12CCN(c1ccc(-c3ccc(C)c([N+](=O)[O-])c3)nn1)CC2 ZINC001164684515 719732425 /nfs/dbraw/zinc/73/24/25/719732425.db2.gz HOCNSNPQUINTST-UHFFFAOYSA-N 0 3 424.505 2.541 20 5 HFBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971415 722112669 /nfs/dbraw/zinc/11/26/69/722112669.db2.gz CKBCMWJAHCIAJA-LAUBAEHRSA-N 0 3 420.473 2.660 20 5 HFBDHN O=[N+]([O-])c1c[nH]c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164973917 722127620 /nfs/dbraw/zinc/12/76/20/722127620.db2.gz HZDNBIKUHIXZCS-QFBILLFUSA-N 0 3 408.462 2.593 20 5 HFBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000793055721 1078057608 /nfs/dbraw/zinc/05/76/08/1078057608.db2.gz JLEKSDCCEWEXOA-CVEARBPZSA-N 0 3 402.495 2.916 20 5 HFBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000805113786 1078898546 /nfs/dbraw/zinc/89/85/46/1078898546.db2.gz PIVAYEDYDCDOHY-RISCZKNCSA-N 0 3 418.313 2.605 20 5 HFBDHN COC(=O)COc1ccc(CNC[C@@H](O)c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000788963448 1077364511 /nfs/dbraw/zinc/36/45/11/1077364511.db2.gz CADQBRLUAMSUKS-MRXNPFEDSA-N 0 3 412.801 2.762 20 5 HFBDHN COc1ccc(C[C@@H](C)NCc2ccnc(OCC3CCOCC3)n2)c([N+](=O)[O-])c1 ZINC001170322409 1077943344 /nfs/dbraw/zinc/94/33/44/1077943344.db2.gz GCNPSEHSAKRAJU-OAHLLOKOSA-N 0 3 416.478 2.920 20 5 HFBDHN CC(C)Oc1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164878330 721159808 /nfs/dbraw/zinc/15/98/08/721159808.db2.gz PSRWRTBMNWQGHT-ZWKOTPCHSA-N 0 3 413.478 2.652 20 5 HFBDHN CCOc1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164902599 721545798 /nfs/dbraw/zinc/54/57/98/721545798.db2.gz AKZAZHZWEUYWKD-DOTOQJQBSA-N 0 3 402.426 2.870 20 5 HFBDHN Cc1ccc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1Br ZINC000804567793 1078604427 /nfs/dbraw/zinc/60/44/27/1078604427.db2.gz YMEUDPNLACLOSX-CQSZACIVSA-N 0 3 411.300 2.584 20 5 HFBDHN CCOC(=O)[C@@H]1[C@@H](NCCc2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000788796110 1077290319 /nfs/dbraw/zinc/29/03/19/1077290319.db2.gz DSIDJELPLOXPNH-RDJZCZTQSA-N 0 3 407.467 2.668 20 5 HFBDHN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(c2ccc(F)c(F)c2)C1=O ZINC000791779458 1077549733 /nfs/dbraw/zinc/54/97/33/1077549733.db2.gz OCHFCMDTTYCBRW-CYBMUJFWSA-N 0 3 421.312 2.878 20 5 HFBDHN