smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(-c4ccccc4)n3)cn2)CC1 ZINC000301888832 971100315 /nfs/dbraw/zinc/10/03/15/971100315.db2.gz RVOIBDMHNNTHBB-UHFFFAOYSA-N 0 1 418.501 3.806 20 5 HHBDMN CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CCN(CC3CCCCC3)CC2)s1 ZINC000301937731 971125477 /nfs/dbraw/zinc/12/54/77/971125477.db2.gz RJWHHBFHUAIBMQ-UHFFFAOYSA-N 0 1 401.554 3.516 20 5 HHBDMN Cc1cc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302151724 971188613 /nfs/dbraw/zinc/18/86/13/971188613.db2.gz HUJAZTRHSCAMNJ-UHFFFAOYSA-N 0 1 415.453 3.895 20 5 HHBDMN O=[N+]([O-])c1cc(Br)ccc1NCc1n[nH]c(COc2ccccc2)n1 ZINC000302253858 971218655 /nfs/dbraw/zinc/21/86/55/971218655.db2.gz NXHYWFNEZORFFV-UHFFFAOYSA-N 0 1 404.224 3.667 20 5 HHBDMN Cc1cc(NCc2n[nH]c(COc3ccccc3)n2)c(Br)cc1[N+](=O)[O-] ZINC000302630561 971266569 /nfs/dbraw/zinc/26/65/69/971266569.db2.gz BTSRGZJAYKGSKV-UHFFFAOYSA-N 0 1 418.251 3.975 20 5 HHBDMN CCc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000537549842 1013071131 /nfs/dbraw/zinc/07/11/31/1013071131.db2.gz GXECFKFWVALURO-GOSISDBHSA-N 0 1 405.458 3.962 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCN([C@H](C)c3ccccc3)CC2)cc1C ZINC000303649635 971929105 /nfs/dbraw/zinc/92/91/05/971929105.db2.gz JZKUOVFUVVGUFK-QGZVFWFLSA-N 0 1 417.531 3.716 20 5 HHBDMN Cc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n[nH]1 ZINC000553294339 1013251691 /nfs/dbraw/zinc/25/16/91/1013251691.db2.gz LREDLPZWISJWEA-LLVKDONJSA-N 0 1 414.853 3.778 20 5 HHBDMN C[C@H](C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000542555857 1013498554 /nfs/dbraw/zinc/49/85/54/1013498554.db2.gz WRUSNNFCAASJNP-INIZCTEOSA-N 0 1 421.513 3.767 20 5 HHBDMN CC(C)c1ccc(CN2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000026249484 964503235 /nfs/dbraw/zinc/50/32/35/964503235.db2.gz LXFBCXQMWPXGPU-UHFFFAOYSA-N 0 1 410.518 3.865 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000026297753 964517747 /nfs/dbraw/zinc/51/77/47/964517747.db2.gz DJCGESWXMZYXGL-UHFFFAOYSA-N 0 1 418.497 3.813 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C3CC3)n2)c1C ZINC000026541383 964595024 /nfs/dbraw/zinc/59/50/24/964595024.db2.gz SXOXZWFLGFJPLP-UHFFFAOYSA-N 0 1 413.459 3.675 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000027060801 964766643 /nfs/dbraw/zinc/76/66/43/964766643.db2.gz DZMMVGNLEPWGMR-UHFFFAOYSA-N 0 1 411.506 3.568 20 5 HHBDMN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000027344100 964857536 /nfs/dbraw/zinc/85/75/36/964857536.db2.gz VCSHQDFERMWJOP-SFHVURJKSA-N 0 1 403.866 3.580 20 5 HHBDMN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H](c2cccs2)N(C)C)CC1 ZINC000027675885 964941930 /nfs/dbraw/zinc/94/19/30/964941930.db2.gz YHUHXKIFFSPSIB-LJQANCHMSA-N 0 1 416.547 3.925 20 5 HHBDMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000028831405 965194183 /nfs/dbraw/zinc/19/41/83/965194183.db2.gz UIXZQTSMXSKTLI-UHFFFAOYSA-N 0 1 407.814 3.903 20 5 HHBDMN CC(C)CCCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000029140339 965279365 /nfs/dbraw/zinc/27/93/65/965279365.db2.gz NIQHHECCQUKNQH-UHFFFAOYSA-N 0 1 405.476 3.562 20 5 HHBDMN C[C@@H](NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000538021288 1013592085 /nfs/dbraw/zinc/59/20/85/1013592085.db2.gz PGDJFZLDMPBDIJ-LLVKDONJSA-N 0 1 402.252 3.993 20 5 HHBDMN C[C@@H](NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000538021288 1013592091 /nfs/dbraw/zinc/59/20/91/1013592091.db2.gz PGDJFZLDMPBDIJ-LLVKDONJSA-N 0 1 402.252 3.993 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)N2CCCC2)c1 ZINC000542710263 1013623202 /nfs/dbraw/zinc/62/32/02/1013623202.db2.gz GIJWGSBAGPNNKT-LJQANCHMSA-N 0 1 402.426 3.701 20 5 HHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000061285890 966419900 /nfs/dbraw/zinc/41/99/00/966419900.db2.gz VDKMYNFVXDOGTP-UHFFFAOYSA-N 0 1 423.498 3.582 20 5 HHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000538120007 1013682090 /nfs/dbraw/zinc/68/20/90/1013682090.db2.gz KGAVAHJDOBIZJO-VXGBXAGGSA-N 0 1 409.389 3.883 20 5 HHBDMN COc1ccc(CCC2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000045307750 967414950 /nfs/dbraw/zinc/41/49/50/967414950.db2.gz JPHMWURZMBKSIM-UHFFFAOYSA-N 0 1 408.458 3.965 20 5 HHBDMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000045570658 967499382 /nfs/dbraw/zinc/49/93/82/967499382.db2.gz VZPQCTAHUGDHTK-UHFFFAOYSA-N 0 1 406.441 3.561 20 5 HHBDMN COc1ccc([C@H](Cc2ccc(F)cc2)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000538181296 1013740181 /nfs/dbraw/zinc/74/01/81/1013740181.db2.gz VAMZTBGNICVKGB-NRFANRHFSA-N 0 1 423.444 3.915 20 5 HHBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2cc(OC)c(OC)cc2C)c([N+](=O)[O-])c1 ZINC000538187325 1013744860 /nfs/dbraw/zinc/74/48/60/1013744860.db2.gz FRSROOYQHOPFGF-AWEZNQCLSA-N 0 1 417.462 3.608 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000046542370 967850693 /nfs/dbraw/zinc/85/06/93/967850693.db2.gz QHRUTBTXMPSCET-UHFFFAOYSA-N 0 1 414.439 3.983 20 5 HHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](Cn3ccnn3)C2)cc1OC ZINC000542915232 1013754961 /nfs/dbraw/zinc/75/49/61/1013754961.db2.gz KXIBDCWNRUQQPR-DLBZAZTESA-N 0 1 417.510 3.532 20 5 HHBDMN COCCSc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000538205288 1013759334 /nfs/dbraw/zinc/75/93/34/1013759334.db2.gz RPFVGGVOFJQDHS-HNNXBMFYSA-N 0 1 403.504 3.931 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000538227922 1013777745 /nfs/dbraw/zinc/77/77/45/1013777745.db2.gz JKBSLEXXDDJZRZ-ZDUSSCGKSA-N 0 1 417.437 3.821 20 5 HHBDMN CN(C)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccsc1 ZINC000047865612 968347033 /nfs/dbraw/zinc/34/70/33/968347033.db2.gz YTIWZNORKKIEIP-ZDUSSCGKSA-N 0 1 400.407 3.682 20 5 HHBDMN COc1ccc(-c2n[nH]c(SCCOc3cccc([N+](=O)[O-])c3)n2)c(OC)c1 ZINC000066000055 968764732 /nfs/dbraw/zinc/76/47/32/968764732.db2.gz FDKRWRKQRGCMOG-UHFFFAOYSA-N 0 1 402.432 3.568 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000069434768 968832959 /nfs/dbraw/zinc/83/29/59/968832959.db2.gz GJHJPGBZJHCTJM-UHFFFAOYSA-N 0 1 409.490 3.563 20 5 HHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000109484798 969523752 /nfs/dbraw/zinc/52/37/52/969523752.db2.gz VAWJZKJYJZVWRM-UHFFFAOYSA-N 0 1 423.498 3.582 20 5 HHBDMN CCNc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000115053192 969828954 /nfs/dbraw/zinc/82/89/54/969828954.db2.gz BRXXJDSMMYCZLV-UHFFFAOYSA-N 0 1 417.897 3.684 20 5 HHBDMN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)c1 ZINC000115860386 969857571 /nfs/dbraw/zinc/85/75/71/969857571.db2.gz NVESDJWTUPNHGQ-FQEVSTJZSA-N 0 1 413.474 3.569 20 5 HHBDMN Cc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000116594943 969907883 /nfs/dbraw/zinc/90/78/83/969907883.db2.gz NPCMHOCWPDHVQP-HXUWFJFHSA-N 0 1 412.490 3.663 20 5 HHBDMN COc1ccc(CN[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000237304497 970259498 /nfs/dbraw/zinc/25/94/98/970259498.db2.gz UUAJKHAJZQECAG-NRFANRHFSA-N 0 1 419.481 3.967 20 5 HHBDMN COc1ccc(-c2ccc(CNCc3ccc(-n4cncn4)cc3)o2)c([N+](=O)[O-])c1 ZINC000237421154 970282680 /nfs/dbraw/zinc/28/26/80/970282680.db2.gz YZRDBWOSVXELSN-UHFFFAOYSA-N 0 1 405.414 3.734 20 5 HHBDMN CNc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2C)cc1[N+](=O)[O-] ZINC000147392335 970327428 /nfs/dbraw/zinc/32/74/28/970327428.db2.gz VPIJZNSQAUKGHY-UHFFFAOYSA-N 0 1 400.504 3.746 20 5 HHBDMN Cn1cc(CNCc2ccc(OCC(F)(F)F)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237933130 970397958 /nfs/dbraw/zinc/39/79/58/970397958.db2.gz WCPMUPRNCYNBEG-UHFFFAOYSA-N 0 1 421.379 3.621 20 5 HHBDMN CCCOc1ccc([C@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000261395981 970649487 /nfs/dbraw/zinc/64/94/87/970649487.db2.gz JERUSFIWOFOFKZ-KXBFYZLASA-N 0 1 413.474 3.848 20 5 HHBDMN COc1cccc(CN(Cc2cc([N+](=O)[O-])ccc2OC)C2CCC(O)CC2)c1 ZINC000261400659 970652407 /nfs/dbraw/zinc/65/24/07/970652407.db2.gz QVUZKUHEGAMARE-UHFFFAOYSA-N 0 1 400.475 3.918 20 5 HHBDMN CCN1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3C(F)(F)F)cn2)CC1 ZINC000301078251 970737579 /nfs/dbraw/zinc/73/75/79/970737579.db2.gz HMXGHCUZMRJXBH-UHFFFAOYSA-N 0 1 409.412 3.763 20 5 HHBDMN CN(C)[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(F)cc1 ZINC000426028904 974151056 /nfs/dbraw/zinc/15/10/56/974151056.db2.gz NKLSWSUZEDNFAL-FQEVSTJZSA-N 0 1 400.454 3.711 20 5 HHBDMN COc1cc(CN2CCc3cc[nH]c(=O)c3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426402285 974433913 /nfs/dbraw/zinc/43/39/13/974433913.db2.gz HVWSLICCMVEMDQ-UHFFFAOYSA-N 0 1 421.453 3.841 20 5 HHBDMN Cc1[nH]nc(C(=O)N(Cc2ccccc2Br)C2CCCC2)c1[N+](=O)[O-] ZINC000427103479 974906033 /nfs/dbraw/zinc/90/60/33/974906033.db2.gz XZBXKLJCRYYAOS-UHFFFAOYSA-N 0 1 407.268 3.974 20 5 HHBDMN CCN(CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000427260638 975010101 /nfs/dbraw/zinc/01/01/01/975010101.db2.gz OSWLTSUSXHECLA-UHFFFAOYSA-N 0 1 401.307 3.618 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1[N+](=O)[O-] ZINC000427482495 975140673 /nfs/dbraw/zinc/14/06/73/975140673.db2.gz WQCJUDXALLQFCZ-LBPRGKRZSA-N 0 1 403.508 3.626 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000427529949 975164192 /nfs/dbraw/zinc/16/41/92/975164192.db2.gz GTPARLDKYRJNNN-NRFANRHFSA-N 0 1 402.410 3.999 20 5 HHBDMN COc1cc(CN(C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000428465410 975765823 /nfs/dbraw/zinc/76/58/23/975765823.db2.gz XGMHMUWWFQWVAG-UYAOXDASSA-N 0 1 400.475 3.918 20 5 HHBDMN C/C=C/c1ccc(OC[C@H](O)CNC(C)(C)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000429259218 976547600 /nfs/dbraw/zinc/54/76/00/976547600.db2.gz JMVBNOFNATYMDI-ZGRWHYIRSA-N 0 1 400.475 3.901 20 5 HHBDMN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430228442 977404812 /nfs/dbraw/zinc/40/48/12/977404812.db2.gz UZMYSZYXAQRDRM-HNNXBMFYSA-N 0 1 417.428 3.616 20 5 HHBDMN Cc1ccc([C@@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000431974073 978625894 /nfs/dbraw/zinc/62/58/94/978625894.db2.gz PWZIZWIXILXFPT-GOSISDBHSA-N 0 1 400.479 3.868 20 5 HHBDMN CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)n1 ZINC000432187686 978705688 /nfs/dbraw/zinc/70/56/88/978705688.db2.gz WUKQIFZUBAZUIZ-UHFFFAOYSA-N 0 1 402.432 3.625 20 5 HHBDMN O=C(COc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1)Nc1ccccc1 ZINC000432468650 978830059 /nfs/dbraw/zinc/83/00/59/978830059.db2.gz KNRJFRAMWSATAP-UHFFFAOYSA-N 0 1 407.382 3.570 20 5 HHBDMN C[C@@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000433165963 979110966 /nfs/dbraw/zinc/11/09/66/979110966.db2.gz WLWRVKCNAZTOIE-JLTOFOAXSA-N 0 1 417.531 3.918 20 5 HHBDMN COc1ccc(CN2CC[C@H](N[C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000433279281 979212607 /nfs/dbraw/zinc/21/26/07/979212607.db2.gz QDPAPSKGYRQYIN-LEWJYISDSA-N 0 1 409.486 3.717 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000433673893 979473518 /nfs/dbraw/zinc/47/35/18/979473518.db2.gz UFCIRENDWNZZRT-ZDUSSCGKSA-N 0 1 405.886 3.614 20 5 HHBDMN COc1ccc2[nH]cc(C3=CCN(C(=O)c4n[nH]c(C(C)C)c4[N+](=O)[O-])CC3)c2c1 ZINC000433983984 979734201 /nfs/dbraw/zinc/73/42/01/979734201.db2.gz OCFCSDHJIMGASC-UHFFFAOYSA-N 0 1 409.446 3.861 20 5 HHBDMN Cc1ccc([C@H](C)NC(=O)NCC2(CN3CCOCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000435415814 980850130 /nfs/dbraw/zinc/85/01/30/980850130.db2.gz DDXQABPXMXZZMT-SFHVURJKSA-N 0 1 418.538 3.546 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 ZINC000435815250 981042810 /nfs/dbraw/zinc/04/28/10/981042810.db2.gz BIINYWQKDIBMCF-HXUWFJFHSA-N 0 1 403.457 3.853 20 5 HHBDMN C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCCC[C@@H]1C ZINC000436098543 981199237 /nfs/dbraw/zinc/19/92/37/981199237.db2.gz KEFBLHNIPRIWIT-KBPBESRZSA-N 0 1 413.468 3.952 20 5 HHBDMN COC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000436164981 981229778 /nfs/dbraw/zinc/22/97/78/981229778.db2.gz WKJCLWHBQPLEQR-ZDUSSCGKSA-N 0 1 423.249 3.707 20 5 HHBDMN C[C@H]1CC[C@H](C)N(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000436328964 981302999 /nfs/dbraw/zinc/30/29/99/981302999.db2.gz AUZZHPYJCBCCGS-GJZGRUSLSA-N 0 1 417.487 3.656 20 5 HHBDMN Cn1c(COc2ccccc2Cl)nnc1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436474230 981392466 /nfs/dbraw/zinc/39/24/66/981392466.db2.gz KCCMPWSVHJTTPT-UHFFFAOYSA-N 0 1 406.851 3.954 20 5 HHBDMN O=C(c1cc(Cl)c2ccccc2c1O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000436541265 981431025 /nfs/dbraw/zinc/43/10/25/981431025.db2.gz YZQYJFWZBPJYPS-LBPRGKRZSA-N 0 1 412.833 3.829 20 5 HHBDMN C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000436893096 981603327 /nfs/dbraw/zinc/60/33/27/981603327.db2.gz NQPUZKRGOZNJJB-KPZWWZAWSA-N 0 1 407.829 3.516 20 5 HHBDMN COc1ccc(-c2ccc(CN3C[C@H](C)OC4(CCOCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000448357707 981721864 /nfs/dbraw/zinc/72/18/64/981721864.db2.gz YCQKFZSMAVFMQM-HNNXBMFYSA-N 0 1 402.447 3.633 20 5 HHBDMN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-])CCO2 ZINC000461010174 982721656 /nfs/dbraw/zinc/72/16/56/982721656.db2.gz ZIPAZGQLRBXQID-SFHVURJKSA-N 0 1 422.441 3.801 20 5 HHBDMN CCOc1cc(C(=O)Nc2c(F)cc(C(C)=O)c(F)c2F)c([N+](=O)[O-])cc1OC ZINC000461091392 982785569 /nfs/dbraw/zinc/78/55/69/982785569.db2.gz ODOPOZOHCSKKEK-UHFFFAOYSA-N 0 1 412.320 3.874 20 5 HHBDMN CCCCN1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(OC)c3)c2C1 ZINC000461117743 982812013 /nfs/dbraw/zinc/81/20/13/982812013.db2.gz ZNENKHQHZCLVSR-UHFFFAOYSA-N 0 1 405.476 3.520 20 5 HHBDMN O=C(CCN1CCc2ccc([N+](=O)[O-])cc2C1)Nc1ccccc1Br ZINC000438524347 982862333 /nfs/dbraw/zinc/86/23/33/982862333.db2.gz SZBLAYSLIQQTTE-UHFFFAOYSA-N 0 1 404.264 3.744 20 5 HHBDMN CCc1nnc(-c2ccc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)cc2)o1 ZINC000438719535 983024281 /nfs/dbraw/zinc/02/42/81/983024281.db2.gz UENLHTQXLQEGGR-UHFFFAOYSA-N 0 1 422.850 3.970 20 5 HHBDMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461402596 983071562 /nfs/dbraw/zinc/07/15/62/983071562.db2.gz CNEQXJQGNZHJCF-UHFFFAOYSA-N 0 1 404.835 3.735 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)N2CCCCC2)cc1 ZINC000438904170 983145381 /nfs/dbraw/zinc/14/53/81/983145381.db2.gz YHJVXMFLWVSXGG-JOCHJYFZSA-N 0 1 411.502 3.798 20 5 HHBDMN COc1ccc(OCCN2CCC[C@H]2c2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1 ZINC000441247399 984137038 /nfs/dbraw/zinc/13/70/38/984137038.db2.gz RQDVDNIOPZDGJG-KRWDZBQOSA-N 0 1 402.447 3.837 20 5 HHBDMN Cc1ccc([C@@H](Cn2ccnc2)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000441379769 984219879 /nfs/dbraw/zinc/21/98/79/984219879.db2.gz DWTUYGKAMCMHCS-LAUBAEHRSA-N 0 1 407.474 3.766 20 5 HHBDMN Cc1cc(S(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000441537982 984310504 /nfs/dbraw/zinc/31/05/04/984310504.db2.gz YNMZOUWZWKDDNU-KRWDZBQOSA-N 0 1 420.878 3.959 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441545082 984314404 /nfs/dbraw/zinc/31/44/04/984314404.db2.gz LCZBXKQYMBULMB-MRXNPFEDSA-N 0 1 420.878 3.959 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441545079 984314544 /nfs/dbraw/zinc/31/45/44/984314544.db2.gz LCZBXKQYMBULMB-INIZCTEOSA-N 0 1 420.878 3.959 20 5 HHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(CSC3CCOCC3)c2)c1 ZINC000442342551 984849171 /nfs/dbraw/zinc/84/91/71/984849171.db2.gz AGUCSFGELNLKOP-UHFFFAOYSA-N 0 1 408.501 3.808 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC1Cc2ccccc2C1 ZINC000462360400 985348039 /nfs/dbraw/zinc/34/80/39/985348039.db2.gz QPFNIUJMQDLGDI-UHFFFAOYSA-N 0 1 401.271 3.595 20 5 HHBDMN C[NH+](C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000462469805 985427631 /nfs/dbraw/zinc/42/76/31/985427631.db2.gz RXSIJHPGQYPFDR-GFCCVEGCSA-N 0 1 424.331 3.544 20 5 HHBDMN CN(C)[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000462469805 985427634 /nfs/dbraw/zinc/42/76/34/985427634.db2.gz RXSIJHPGQYPFDR-GFCCVEGCSA-N 0 1 424.331 3.544 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCOc2ccccc21 ZINC000462475981 985432777 /nfs/dbraw/zinc/43/27/77/985432777.db2.gz YPLHIBSHIWRGMI-GFCCVEGCSA-N 0 1 403.243 3.704 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000443422079 985578641 /nfs/dbraw/zinc/57/86/41/985578641.db2.gz FIPRDVWTRNJSAD-UHFFFAOYSA-N 0 1 408.329 3.784 20 5 HHBDMN CC1CC[NH+](C2CCC([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)CC1 ZINC000443741131 985956171 /nfs/dbraw/zinc/95/61/71/985956171.db2.gz BCCSLFMJARIHGJ-UHFFFAOYSA-N 0 1 415.943 3.570 20 5 HHBDMN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000463209583 986181057 /nfs/dbraw/zinc/18/10/57/986181057.db2.gz KSSXPZDWKWNWCJ-OVLVRJBISA-N 0 1 409.914 3.838 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C[NH+]3CCSCC3)c2)c1C ZINC000444045578 986243566 /nfs/dbraw/zinc/24/35/66/986243566.db2.gz WNYATDJVMHRBOK-UHFFFAOYSA-N 0 1 421.544 3.561 20 5 HHBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444113809 986313087 /nfs/dbraw/zinc/31/30/87/986313087.db2.gz PSDQZJBEAYMRMJ-UHFFFAOYSA-N 0 1 422.366 3.905 20 5 HHBDMN C[C@H](c1ccc(Cl)cc1)N1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000444171920 986348553 /nfs/dbraw/zinc/34/85/53/986348553.db2.gz QSJYNZDBRSWTIY-MRXNPFEDSA-N 0 1 416.909 3.956 20 5 HHBDMN CCc1[nH]nc(C(=O)N2Cc3cc(OC)ccc3C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000444293619 986479999 /nfs/dbraw/zinc/47/99/99/986479999.db2.gz MAVZQFOMJXOHBN-LJQANCHMSA-N 0 1 406.442 3.829 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)ccc1[N+](=O)[O-] ZINC000468776607 986488494 /nfs/dbraw/zinc/48/84/94/986488494.db2.gz BDTYRZJTRQFZBP-UHFFFAOYSA-N 0 1 420.365 3.654 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)c1[N+](=O)[O-] ZINC000444367694 986544991 /nfs/dbraw/zinc/54/49/91/986544991.db2.gz UNSSBUIWBSUFLZ-CYBMUJFWSA-N 0 1 411.231 3.759 20 5 HHBDMN COc1cccc(CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CCC(O)CC2)c1 ZINC000444641444 986827628 /nfs/dbraw/zinc/82/76/28/986827628.db2.gz RLVUZQWOFAGTKF-UHFFFAOYSA-N 0 1 410.474 3.785 20 5 HHBDMN CCOc1cc(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)c([N+](=O)[O-])cc1OC ZINC000469253682 986972694 /nfs/dbraw/zinc/97/26/94/986972694.db2.gz PPNDVOZGCDDDAB-MRXNPFEDSA-N 0 1 415.446 3.640 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)c1[N+](=O)[O-] ZINC000469305699 987020188 /nfs/dbraw/zinc/02/01/88/987020188.db2.gz NRKKXWMGCQXYCS-UHFFFAOYSA-N 0 1 412.277 3.711 20 5 HHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000469455459 987140941 /nfs/dbraw/zinc/14/09/41/987140941.db2.gz VOYJBODXTZOQRG-ZDUSSCGKSA-N 0 1 403.385 3.661 20 5 HHBDMN Cc1c(CC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cccc1[N+](=O)[O-] ZINC000469507694 987184469 /nfs/dbraw/zinc/18/44/69/987184469.db2.gz AOKMPHXMQLBWHH-SFHVURJKSA-N 0 1 409.408 3.884 20 5 HHBDMN COc1cc(Cc2noc(CCc3nc4cccc(C)c4[nH]3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445824734 987892824 /nfs/dbraw/zinc/89/28/24/987892824.db2.gz OKAXQSANPKDMTB-UHFFFAOYSA-N 0 1 423.429 3.556 20 5 HHBDMN C[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000470146708 988053725 /nfs/dbraw/zinc/05/37/25/988053725.db2.gz LCOXJXZSQOLDBZ-ZDUSSCGKSA-N 0 1 419.432 3.508 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCC1 ZINC000470149875 988058277 /nfs/dbraw/zinc/05/82/77/988058277.db2.gz DTCCBOQGJNDRCT-SFHVURJKSA-N 0 1 402.426 3.701 20 5 HHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000470184292 988100746 /nfs/dbraw/zinc/10/07/46/988100746.db2.gz RFRRBXJPUOPSKB-LGMDPLHJSA-N 0 1 418.515 3.803 20 5 HHBDMN CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470663465 988683662 /nfs/dbraw/zinc/68/36/62/988683662.db2.gz XMSHYHMYJKDCAW-OAQYLSRUSA-N 0 1 419.485 3.517 20 5 HHBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000464942019 989231479 /nfs/dbraw/zinc/23/14/79/989231479.db2.gz VPTLZBQQUFJQFE-UHFFFAOYSA-N 0 1 418.881 3.651 20 5 HHBDMN Cc1c(NC(=O)CCN2CCN(c3ccc4ccccc4n3)CC2)cccc1[N+](=O)[O-] ZINC000471191288 989326608 /nfs/dbraw/zinc/32/66/08/989326608.db2.gz NFJZWAVAKLTVQO-UHFFFAOYSA-N 0 1 419.485 3.602 20 5 HHBDMN CC[C@H]1CCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000465040710 989364987 /nfs/dbraw/zinc/36/49/87/989364987.db2.gz XGCJPGOTLWSLHU-IFXJQAMLSA-N 0 1 417.487 3.704 20 5 HHBDMN Cc1ccc2nc(CNC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1 ZINC000466765739 992073410 /nfs/dbraw/zinc/07/34/10/992073410.db2.gz LQSFUTFDZBCMBG-UHFFFAOYSA-N 0 1 409.446 3.533 20 5 HHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000467227391 992550841 /nfs/dbraw/zinc/55/08/41/992550841.db2.gz WBIFYBGALKGFCT-AWEZNQCLSA-N 0 1 417.897 3.668 20 5 HHBDMN O=C1c2ccccc2CCN1CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467398120 992706879 /nfs/dbraw/zinc/70/68/79/992706879.db2.gz FMURVBJTAJPEPH-HSZRJFAPSA-N 0 1 401.466 3.972 20 5 HHBDMN COc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000467771813 993013059 /nfs/dbraw/zinc/01/30/59/993013059.db2.gz XKEKGPWXLXHJER-UHFFFAOYSA-N 0 1 409.222 3.528 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1C ZINC000480989348 993830856 /nfs/dbraw/zinc/83/08/56/993830856.db2.gz YGYRARMIBPAYMM-CRAIPNDOSA-N 0 1 423.560 3.635 20 5 HHBDMN Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000481063897 993904703 /nfs/dbraw/zinc/90/47/03/993904703.db2.gz YURFZUAAWPSACQ-MAUKXSAKSA-N 0 1 423.560 3.635 20 5 HHBDMN COc1ccc(NC(=O)CN(CC(C)C)[C@H]2CCCc3cccnc32)c([N+](=O)[O-])c1 ZINC000481326162 994145384 /nfs/dbraw/zinc/14/53/84/994145384.db2.gz APMPFSPBHSCYNS-IBGZPJMESA-N 0 1 412.490 3.973 20 5 HHBDMN COC(=O)COc1ccc(-c2nc3c(cc(Br)cc3C)[nH]2)cc1[N+](=O)[O-] ZINC000473439399 994289246 /nfs/dbraw/zinc/28/92/46/994289246.db2.gz AIJXCPUXHKMTJN-UHFFFAOYSA-N 0 1 420.219 3.761 20 5 HHBDMN COc1cc(Br)cc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000473774527 994696007 /nfs/dbraw/zinc/69/60/07/994696007.db2.gz SQLAOACAQGEPET-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000481953096 994835033 /nfs/dbraw/zinc/83/50/33/994835033.db2.gz BMXKGYJENYUGEI-UHFFFAOYSA-N 0 1 417.487 3.685 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000481956227 994839506 /nfs/dbraw/zinc/83/95/06/994839506.db2.gz BBTPBQHYPNZTQT-UHFFFAOYSA-N 0 1 413.459 3.675 20 5 HHBDMN CC(C)(C)c1ccc(C(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000474594674 995553034 /nfs/dbraw/zinc/55/30/34/995553034.db2.gz ORLZBNAOKPMZJK-UHFFFAOYSA-N 0 1 409.446 3.519 20 5 HHBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000483113549 995984128 /nfs/dbraw/zinc/98/41/28/995984128.db2.gz BBBNKXBMAMDZEQ-INIZCTEOSA-N 0 1 421.563 3.668 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1SC ZINC000475303835 996056867 /nfs/dbraw/zinc/05/68/67/996056867.db2.gz OOJNVIJBRLNIMS-INIZCTEOSA-N 0 1 415.515 3.672 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000475508332 996189741 /nfs/dbraw/zinc/18/97/41/996189741.db2.gz CQBBBXJXIVSUDG-UHFFFAOYSA-N 0 1 405.454 3.722 20 5 HHBDMN C[C@@H]1CCC[C@H](N(Cc2c([N+](=O)[O-])ncn2C)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000475524612 996201144 /nfs/dbraw/zinc/20/11/44/996201144.db2.gz ALWPWINLMBOWFM-INMHGKMJSA-N 0 1 400.479 3.884 20 5 HHBDMN COC(=O)COc1ccc(CN(C)Cc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000475555252 996216959 /nfs/dbraw/zinc/21/69/59/996216959.db2.gz PWMKSSLWPJLSSC-UHFFFAOYSA-N 0 1 412.364 3.797 20 5 HHBDMN CC(C)(NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(OC(F)(F)F)cc1 ZINC000475690458 996303156 /nfs/dbraw/zinc/30/31/56/996303156.db2.gz KQOCXJPQNBXLRV-UHFFFAOYSA-N 0 1 423.391 3.907 20 5 HHBDMN COC(=O)COc1ccc(CN2C[C@@H](C)C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475720733 996322432 /nfs/dbraw/zinc/32/24/32/996322432.db2.gz AWFOAFMRGGZUSA-KSSFIOAISA-N 0 1 402.422 3.869 20 5 HHBDMN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000484058426 996546544 /nfs/dbraw/zinc/54/65/44/996546544.db2.gz ANIJPLGZUDBLEO-SFHVURJKSA-N 0 1 424.501 3.523 20 5 HHBDMN CN1CCC(N(c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000476447934 996920059 /nfs/dbraw/zinc/92/00/59/996920059.db2.gz IUISAEBQHSPAFM-UHFFFAOYSA-N 0 1 409.895 3.538 20 5 HHBDMN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476888608 997482213 /nfs/dbraw/zinc/48/22/13/997482213.db2.gz BPZUFVYXOIDQHH-UHFFFAOYSA-N 0 1 413.430 3.578 20 5 HHBDMN CC(C)(NC(=O)c1cccc(Cl)c1)c1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000486130623 998578693 /nfs/dbraw/zinc/57/86/93/998578693.db2.gz RUYGJFXXPIMQEC-UHFFFAOYSA-N 0 1 402.794 3.669 20 5 HHBDMN COc1ccc([C@@H](C[N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[NH+]2CCCC2)cc1 ZINC000486427247 998762033 /nfs/dbraw/zinc/76/20/33/998762033.db2.gz AZWMIWBLNRYKRC-LJQANCHMSA-N 0 1 409.446 3.902 20 5 HHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000486471272 998784246 /nfs/dbraw/zinc/78/42/46/998784246.db2.gz JFMAQYCZIFXMJE-CYBMUJFWSA-N 0 1 422.407 3.964 20 5 HHBDMN Cc1ccc(Br)cc1NC(=O)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000478357656 998913842 /nfs/dbraw/zinc/91/38/42/998913842.db2.gz QYDSZGUBBFUNOW-UHFFFAOYSA-N 0 1 410.243 3.923 20 5 HHBDMN O=C(CSc1nc(Cc2ccccc2)n[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000478757736 999125510 /nfs/dbraw/zinc/12/55/10/999125510.db2.gz JGMXXIASAULABJ-UHFFFAOYSA-N 0 1 403.851 3.688 20 5 HHBDMN COc1ccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1OC1CCCC1 ZINC000487355411 999145389 /nfs/dbraw/zinc/14/53/89/999145389.db2.gz RLFOJXWOGVOEOL-UHFFFAOYSA-N 0 1 410.430 3.731 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)cc1[N+](=O)[O-] ZINC000488262335 999414739 /nfs/dbraw/zinc/41/47/39/999414739.db2.gz IDUBETVNEHWCFG-UHFFFAOYSA-N 0 1 419.390 3.731 20 5 HHBDMN COc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1F ZINC000479548021 999471904 /nfs/dbraw/zinc/47/19/04/999471904.db2.gz VWGCSONQWHJEQK-UHFFFAOYSA-N 0 1 419.228 3.614 20 5 HHBDMN Cc1ccc([C@@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000488663988 999563515 /nfs/dbraw/zinc/56/35/15/999563515.db2.gz HMZYSQBDWSFMQN-GOSISDBHSA-N 0 1 400.479 3.868 20 5 HHBDMN COc1cccc([C@H]2[C@@H](NC(=O)NCc3cccc([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000479751568 999571771 /nfs/dbraw/zinc/57/17/71/999571771.db2.gz TXSSWLAKZFZZMJ-UNMCSNQZSA-N 0 1 424.501 3.689 20 5 HHBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000488824162 999619142 /nfs/dbraw/zinc/61/91/42/999619142.db2.gz ZHJUVBFNWXMYAR-MRXNPFEDSA-N 0 1 421.563 3.668 20 5 HHBDMN COc1cc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc([N+](=O)[O-])c1C ZINC000479942834 999657124 /nfs/dbraw/zinc/65/71/24/999657124.db2.gz SLLBYSACGMLHJL-UHFFFAOYSA-N 0 1 401.488 3.713 20 5 HHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC000489213645 999723789 /nfs/dbraw/zinc/72/37/89/999723789.db2.gz ICWMONLOILEIKX-QLFBSQMISA-N 0 1 414.510 3.954 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000480129245 999725099 /nfs/dbraw/zinc/72/50/99/999725099.db2.gz YLHPWGDAGHPADF-UHFFFAOYSA-N 0 1 423.517 3.933 20 5 HHBDMN Cc1csc(Sc2ccc(C(=O)N3CCN(C)[C@H](C(C)C)C3)cc2[N+](=O)[O-])n1 ZINC000489333268 999747478 /nfs/dbraw/zinc/74/74/78/999747478.db2.gz GGUAZMMQFAUSBI-INIZCTEOSA-N 0 1 420.560 3.923 20 5 HHBDMN Cc1ccc(C[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000489533113 999785965 /nfs/dbraw/zinc/78/59/65/999785965.db2.gz LETOFJCULUOWAA-UHFFFAOYSA-N 0 1 403.504 3.917 20 5 HHBDMN COC1CCC(C)(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000480429443 999797169 /nfs/dbraw/zinc/79/71/69/999797169.db2.gz YDZUUDSMLPVGLV-UHFFFAOYSA-N 0 1 411.307 3.775 20 5 HHBDMN COc1cc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000489992123 999874368 /nfs/dbraw/zinc/87/43/68/999874368.db2.gz XPGMCWDPXXQESA-CQSZACIVSA-N 0 1 404.854 3.503 20 5 HHBDMN CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000490008636 999876728 /nfs/dbraw/zinc/87/67/28/999876728.db2.gz HMHOMWGUBKUUQE-LJQANCHMSA-N 0 1 419.485 3.517 20 5 HHBDMN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCC(c2cnc[nH]2)CC1 ZINC000490112487 999894643 /nfs/dbraw/zinc/89/46/43/999894643.db2.gz NHBIRNGYUMJINQ-UHFFFAOYSA-N 0 1 405.458 3.950 20 5 HHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(OCc2ccccc2)nc1 ZINC000490400358 999951566 /nfs/dbraw/zinc/95/15/66/999951566.db2.gz QGXIPGRAFJTGGJ-UHFFFAOYSA-N 0 1 416.397 3.606 20 5 HHBDMN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cnn1CCC(C)C ZINC000491583268 1000086035 /nfs/dbraw/zinc/08/60/35/1000086035.db2.gz HVSNJYATXBQAQR-UHFFFAOYSA-N 0 1 417.491 3.749 20 5 HHBDMN CCOc1cc(CN2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000492654176 1000136902 /nfs/dbraw/zinc/13/69/02/1000136902.db2.gz NUZLHSYIVIQZTE-OAHLLOKOSA-N 0 1 417.428 3.616 20 5 HHBDMN COc1cc(NC2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)cc(OC)c1 ZINC000493012489 1000154420 /nfs/dbraw/zinc/15/44/20/1000154420.db2.gz YYVCKEZGKUEOQL-UHFFFAOYSA-N 0 1 401.463 3.697 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(F)c1 ZINC000494130489 1000322843 /nfs/dbraw/zinc/32/28/43/1000322843.db2.gz JDOPROVDGJEYKY-GOSISDBHSA-N 0 1 414.462 3.890 20 5 HHBDMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000494443950 1000495013 /nfs/dbraw/zinc/49/50/13/1000495013.db2.gz YFHJTCQWMOONSS-MRXNPFEDSA-N 0 1 414.481 3.675 20 5 HHBDMN C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000494482898 1000517202 /nfs/dbraw/zinc/51/72/02/1000517202.db2.gz GPRAMTKCEIHEDN-LLVKDONJSA-N 0 1 417.409 3.836 20 5 HHBDMN COc1ccc(-c2n[nH]c(SCc3c(F)cc([N+](=O)[O-])cc3F)n2)c(OC)c1 ZINC000505515327 1000853668 /nfs/dbraw/zinc/85/36/68/1000853668.db2.gz VMNHJPCATQCBAK-UHFFFAOYSA-N 0 1 408.386 3.968 20 5 HHBDMN COc1ccc(-c2n[nH]c(CNc3ccc(Br)cc3[N+](=O)[O-])n2)cc1 ZINC000505571322 1000911442 /nfs/dbraw/zinc/91/14/42/1000911442.db2.gz YEWMIYNATKVCAM-UHFFFAOYSA-N 0 1 404.224 3.763 20 5 HHBDMN COc1ccc(-c2nc(CNc3ccc(Br)cc3[N+](=O)[O-])n[nH]2)cc1 ZINC000505571322 1000911449 /nfs/dbraw/zinc/91/14/49/1000911449.db2.gz YEWMIYNATKVCAM-UHFFFAOYSA-N 0 1 404.224 3.763 20 5 HHBDMN O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505777090 1001018146 /nfs/dbraw/zinc/01/81/46/1001018146.db2.gz MMRRBVDMJAFXJX-HXUWFJFHSA-N 0 1 423.494 3.891 20 5 HHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000505778200 1001018565 /nfs/dbraw/zinc/01/85/65/1001018565.db2.gz RPJLYZYGEKJMME-UHFFFAOYSA-N 0 1 414.531 3.886 20 5 HHBDMN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000497063847 1001263594 /nfs/dbraw/zinc/26/35/94/1001263594.db2.gz FTQDTJSAZOHJEB-GOSISDBHSA-N 0 1 402.414 3.839 20 5 HHBDMN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000497063847 1001263600 /nfs/dbraw/zinc/26/36/00/1001263600.db2.gz FTQDTJSAZOHJEB-GOSISDBHSA-N 0 1 402.414 3.839 20 5 HHBDMN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000506233757 1001296122 /nfs/dbraw/zinc/29/61/22/1001296122.db2.gz VGHUJRXHXROGMQ-UHFFFAOYSA-N 0 1 415.449 3.828 20 5 HHBDMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000506383162 1001388880 /nfs/dbraw/zinc/38/88/80/1001388880.db2.gz ADBVBGHXYAZDHF-MRXNPFEDSA-N 0 1 420.454 3.550 20 5 HHBDMN Cc1ccc([C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000506448683 1001418144 /nfs/dbraw/zinc/41/81/44/1001418144.db2.gz RUKTVJSBCGGWGW-LJQANCHMSA-N 0 1 400.479 3.642 20 5 HHBDMN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506483420 1001434450 /nfs/dbraw/zinc/43/44/50/1001434450.db2.gz BKYFYJPUVDIHTK-UHFFFAOYSA-N 0 1 405.248 3.867 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C[C@@H](C)O1 ZINC000507297513 1001981182 /nfs/dbraw/zinc/98/11/82/1001981182.db2.gz BOMVNFRLLRVJRP-HUUCEWRRSA-N 0 1 417.893 3.787 20 5 HHBDMN Cc1csc(Sc2ccc(C(=O)N3CCN(C)CC[C@@H]3C)cc2[N+](=O)[O-])n1 ZINC000498713025 1002096322 /nfs/dbraw/zinc/09/63/22/1002096322.db2.gz ZNXWUURJBJQNJY-ZDUSSCGKSA-N 0 1 406.533 3.677 20 5 HHBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507568664 1002172800 /nfs/dbraw/zinc/17/28/00/1002172800.db2.gz QFRIRXFFSJIKTM-MRXNPFEDSA-N 0 1 407.474 3.877 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OC1CCOCC1 ZINC000507580717 1002185009 /nfs/dbraw/zinc/18/50/09/1002185009.db2.gz DQCZICUGAPDQBQ-UHFFFAOYSA-N 0 1 424.450 3.655 20 5 HHBDMN CC(C)COC[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000508021476 1002544830 /nfs/dbraw/zinc/54/48/30/1002544830.db2.gz FHWALDRYWDLVOO-ZDUSSCGKSA-N 0 1 402.856 3.533 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCC(C)(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000509292729 1003687732 /nfs/dbraw/zinc/68/77/32/1003687732.db2.gz BOCLBOHVTDRQGI-UHFFFAOYSA-N 0 1 421.295 3.837 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512230484 1004130541 /nfs/dbraw/zinc/13/05/41/1004130541.db2.gz UMBFVJIVPIGHNP-INIZCTEOSA-N 0 1 412.273 3.862 20 5 HHBDMN C[C@@H]1c2cccc(Br)c2CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000512314813 1004210595 /nfs/dbraw/zinc/21/05/95/1004210595.db2.gz PLBAKSAMBXHQMH-SNVBAGLBSA-N 0 1 415.247 3.993 20 5 HHBDMN Cc1ccc2nc(CNC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000510037701 1004281803 /nfs/dbraw/zinc/28/18/03/1004281803.db2.gz CUUYJLCETPZVKZ-UHFFFAOYSA-N 0 1 403.236 3.780 20 5 HHBDMN COC(=O)c1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(C(=O)OC)c1 ZINC000501268533 1004324622 /nfs/dbraw/zinc/32/46/22/1004324622.db2.gz IRGUCAVISKKCDZ-UHFFFAOYSA-N 0 1 400.431 3.579 20 5 HHBDMN COc1cc(C(=O)Nc2cccc(CN3CCSCC3)c2C)ccc1[N+](=O)[O-] ZINC000512639010 1004451252 /nfs/dbraw/zinc/45/12/52/1004451252.db2.gz CEWJBRWZBKIRBC-UHFFFAOYSA-N 0 1 401.488 3.713 20 5 HHBDMN C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000501805130 1004746835 /nfs/dbraw/zinc/74/68/35/1004746835.db2.gz MSZFIYGIXICYRU-IRXDYDNUSA-N 0 1 407.474 3.740 20 5 HHBDMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000501998433 1004853785 /nfs/dbraw/zinc/85/37/85/1004853785.db2.gz YHMBOVPLUSBIJI-UHFFFAOYSA-N 0 1 417.897 3.582 20 5 HHBDMN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCN(Cc2ccccc2)CC1 ZINC000510845052 1004887794 /nfs/dbraw/zinc/88/77/94/1004887794.db2.gz ULUQGEDDOGXKBC-UHFFFAOYSA-N 0 1 420.416 3.936 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1[N+](=O)[O-] ZINC000502119840 1004910863 /nfs/dbraw/zinc/91/08/63/1004910863.db2.gz NLGJCRIVYXFZKO-LLVKDONJSA-N 0 1 401.398 3.741 20 5 HHBDMN O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000513411965 1004952532 /nfs/dbraw/zinc/95/25/32/1004952532.db2.gz RTBXWJFMRQGOBG-QGZVFWFLSA-N 0 1 401.413 3.641 20 5 HHBDMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000511096106 1005017275 /nfs/dbraw/zinc/01/72/75/1005017275.db2.gz QRKUWGZZPPEJMB-QAPCUYQASA-N 0 1 421.906 3.553 20 5 HHBDMN Cn1ccnc1[C@@H](NCC(C)(C)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000513718378 1005094950 /nfs/dbraw/zinc/09/49/50/1005094950.db2.gz XTUWXKRBWSNKNY-QFIPXVFZSA-N 0 1 419.529 3.844 20 5 HHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000513786943 1005126765 /nfs/dbraw/zinc/12/67/65/1005126765.db2.gz PZYVDEQTQVQNBW-INIZCTEOSA-N 0 1 406.866 3.531 20 5 HHBDMN Cc1nc([C@H]2CCCCN2C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n[nH]1 ZINC000513935597 1005194812 /nfs/dbraw/zinc/19/48/12/1005194812.db2.gz JUCKCGLKUYQRIX-GOSISDBHSA-N 0 1 412.494 3.625 20 5 HHBDMN C[N@@H+]1CC[C@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000502853095 1005244597 /nfs/dbraw/zinc/24/45/97/1005244597.db2.gz QRYAZECXHYNVFR-KZULUSFZSA-N 0 1 407.829 3.516 20 5 HHBDMN C[N@H+]1CC[C@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000502853095 1005244601 /nfs/dbraw/zinc/24/46/01/1005244601.db2.gz QRYAZECXHYNVFR-KZULUSFZSA-N 0 1 407.829 3.516 20 5 HHBDMN CCN(Cc1cnn(C)c1)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000511625465 1005249911 /nfs/dbraw/zinc/24/99/11/1005249911.db2.gz GXZPGWYGJYIBHS-UHFFFAOYSA-N 0 1 410.474 3.938 20 5 HHBDMN CC[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000514093222 1005262139 /nfs/dbraw/zinc/26/21/39/1005262139.db2.gz IGNJQOSZXKFHRB-GGAORHGYSA-N 0 1 419.529 3.844 20 5 HHBDMN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502935373 1005282155 /nfs/dbraw/zinc/28/21/55/1005282155.db2.gz MGNGOJIHQACWRI-QGZVFWFLSA-N 0 1 412.490 3.971 20 5 HHBDMN O=[N+]([O-])c1ccc(Sc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)c2ccncc21 ZINC000503297604 1005385770 /nfs/dbraw/zinc/38/57/70/1005385770.db2.gz XXQQSWSIGFVIEK-UHFFFAOYSA-N 0 1 407.411 3.851 20 5 HHBDMN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)n1 ZINC000503396892 1005407574 /nfs/dbraw/zinc/40/75/74/1005407574.db2.gz NDNBJWNYROCBNX-UHFFFAOYSA-N 0 1 410.324 3.957 20 5 HHBDMN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(Br)cc2nc[nH]c21 ZINC000503528518 1005444244 /nfs/dbraw/zinc/44/42/44/1005444244.db2.gz FDNNCKRZLNHVJS-UHFFFAOYSA-N 0 1 423.654 3.860 20 5 HHBDMN CCOc1ccc(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000503745572 1005488752 /nfs/dbraw/zinc/48/87/52/1005488752.db2.gz GXHDUTHXSMVXFP-INIZCTEOSA-N 0 1 407.430 3.756 20 5 HHBDMN CCOc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000503745572 1005488753 /nfs/dbraw/zinc/48/87/53/1005488753.db2.gz GXHDUTHXSMVXFP-INIZCTEOSA-N 0 1 407.430 3.756 20 5 HHBDMN CCC1(CC)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000504104461 1005553280 /nfs/dbraw/zinc/55/32/80/1005553280.db2.gz QEBJOSWZUQUHOC-UHFFFAOYSA-N 0 1 417.487 3.658 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)cc(Cl)c1O ZINC000534207525 1006201634 /nfs/dbraw/zinc/20/16/34/1006201634.db2.gz QBJNZSSBHPKQLR-UHFFFAOYSA-N 0 1 401.600 3.977 20 5 HHBDMN CN1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534222764 1006217941 /nfs/dbraw/zinc/21/79/41/1006217941.db2.gz SUQVNRKTDDHOMP-XOBRGWDASA-N 0 1 421.856 3.575 20 5 HHBDMN COc1ccc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000534225276 1006221915 /nfs/dbraw/zinc/22/19/15/1006221915.db2.gz CSTJIAUFRMLEBU-IFXJQAMLSA-N 0 1 421.856 3.819 20 5 HHBDMN COc1cc(CNC[C@@](C)(O)C(F)(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000534828598 1006839465 /nfs/dbraw/zinc/83/94/65/1006839465.db2.gz KFPQLLWAQCWTEX-GOSISDBHSA-N 0 1 414.380 3.585 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)c(C(F)(F)F)c1 ZINC000532612341 1007039564 /nfs/dbraw/zinc/03/95/64/1007039564.db2.gz OYJNOYQPPYXUMY-UHFFFAOYSA-N 0 1 424.360 3.871 20 5 HHBDMN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(-n4cnc5ccccc54)cc3)CC2)cn1 ZINC000535072193 1007091893 /nfs/dbraw/zinc/09/18/93/1007091893.db2.gz CAZKSMBTRNAEED-UHFFFAOYSA-N 0 1 414.469 3.651 20 5 HHBDMN O=C(Nc1ccccc1)c1cccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000533058566 1007421664 /nfs/dbraw/zinc/42/16/64/1007421664.db2.gz NZPVKKXDTAJCHL-HXUWFJFHSA-N 0 1 417.469 3.929 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Sc1nccn1C ZINC000517159169 1007469400 /nfs/dbraw/zinc/46/94/00/1007469400.db2.gz ZZZOMMWHAKGQTJ-UHFFFAOYSA-N 0 1 418.500 3.843 20 5 HHBDMN Cc1cc(Br)cc2c1CN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])CC2 ZINC000539373456 1007678029 /nfs/dbraw/zinc/67/80/29/1007678029.db2.gz GKOJBGXCJNPUDB-UHFFFAOYSA-N 0 1 407.268 3.711 20 5 HHBDMN Cc1ccc([C@@H](CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000539474797 1007786042 /nfs/dbraw/zinc/78/60/42/1007786042.db2.gz KIPNKRPQFLYBRA-GOSISDBHSA-N 0 1 401.463 3.527 20 5 HHBDMN COc1cc(C(=O)N[C@@H](C)c2nnc[nH]2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000536096571 1008119260 /nfs/dbraw/zinc/11/92/60/1008119260.db2.gz VIFXBYJTHNBKEQ-JTQLQIEISA-N 0 1 417.809 3.658 20 5 HHBDMN CCOc1cc(CN2CCSC[C@@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000539831983 1008125229 /nfs/dbraw/zinc/12/52/29/1008125229.db2.gz ONZQDDAOEDTOPH-HNNXBMFYSA-N 0 1 420.535 3.515 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1CN(c1nccs1)C2 ZINC000533896167 1008189110 /nfs/dbraw/zinc/18/91/10/1008189110.db2.gz KGFJKRXXUWTZLA-UHFFFAOYSA-N 0 1 416.484 3.681 20 5 HHBDMN CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000540117884 1008296925 /nfs/dbraw/zinc/29/69/25/1008296925.db2.gz USAILYFZNVUNJB-PBHICJAKSA-N 0 1 417.487 3.799 20 5 HHBDMN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000540326789 1008381288 /nfs/dbraw/zinc/38/12/88/1008381288.db2.gz RZGIHGKXAOVLRO-OAHLLOKOSA-N 0 1 406.442 3.519 20 5 HHBDMN O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000519029657 1008505734 /nfs/dbraw/zinc/50/57/34/1008505734.db2.gz OLJKGFYMVWVSBU-UHFFFAOYSA-N 0 1 421.457 3.920 20 5 HHBDMN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000519060308 1008514258 /nfs/dbraw/zinc/51/42/58/1008514258.db2.gz SZVVFANAJPLHIK-CQSZACIVSA-N 0 1 405.476 3.541 20 5 HHBDMN C[C@@H]1CC(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000548973520 1008553408 /nfs/dbraw/zinc/55/34/08/1008553408.db2.gz FCHZRJYCNZNJLA-NXEZZACHSA-N 0 1 411.307 3.774 20 5 HHBDMN CC(C)(NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000543183891 1008758568 /nfs/dbraw/zinc/75/85/68/1008758568.db2.gz IDNCAASOCQXQDF-CYBMUJFWSA-N 0 1 409.280 3.622 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C ZINC000519558436 1008903476 /nfs/dbraw/zinc/90/34/76/1008903476.db2.gz ODZKBARHNMPHER-UHFFFAOYSA-N 0 1 422.850 3.552 20 5 HHBDMN CN1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)cc2)CC1 ZINC000549338409 1008916442 /nfs/dbraw/zinc/91/64/42/1008916442.db2.gz RTGIQEQOYUUPSD-UHFFFAOYSA-N 0 1 422.407 3.613 20 5 HHBDMN CCN([C@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000519891685 1009058174 /nfs/dbraw/zinc/05/81/74/1009058174.db2.gz NNKOJGSFMKMHFQ-WBVHZDCISA-N 0 1 421.494 3.580 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000543635217 1009239599 /nfs/dbraw/zinc/23/95/99/1009239599.db2.gz OCBNCJFKTNWSQZ-HSZRJFAPSA-N 0 1 403.482 3.921 20 5 HHBDMN COC1CCC(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000543686457 1009295325 /nfs/dbraw/zinc/29/53/25/1009295325.db2.gz PDKWGEUWCSKDNP-UHFFFAOYSA-N 0 1 411.307 3.775 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000543837220 1009399797 /nfs/dbraw/zinc/39/97/97/1009399797.db2.gz FGQBOXDMPWZNOL-AWEZNQCLSA-N 0 1 412.368 3.503 20 5 HHBDMN O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000520311679 1009437777 /nfs/dbraw/zinc/43/77/77/1009437777.db2.gz UBZZETXBAXLUPT-GOSISDBHSA-N 0 1 420.469 3.633 20 5 HHBDMN Cc1cc(N2CCn3c(Cc4ccccc4)nnc3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543977439 1009578760 /nfs/dbraw/zinc/57/87/60/1009578760.db2.gz YAMDFSGATMVGSP-UHFFFAOYSA-N 0 1 400.442 3.654 20 5 HHBDMN COc1ccc(NC(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000544054008 1009657656 /nfs/dbraw/zinc/65/76/56/1009657656.db2.gz UOEWXLRKKQNPMR-OAHLLOKOSA-N 0 1 422.445 3.800 20 5 HHBDMN Cc1ccc(C(C)(C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000546783182 1009748060 /nfs/dbraw/zinc/74/80/60/1009748060.db2.gz LXCSZCRCEKILIW-UHFFFAOYSA-N 0 1 404.275 3.819 20 5 HHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000546858338 1009820618 /nfs/dbraw/zinc/82/06/18/1009820618.db2.gz QPRDZFOZEDFQLT-UHFFFAOYSA-N 0 1 421.247 3.747 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1n[nH]c(C(C)C)n1 ZINC000520769040 1009837858 /nfs/dbraw/zinc/83/78/58/1009837858.db2.gz WXQSEWNCCYXTCE-UHFFFAOYSA-N 0 1 415.475 3.867 20 5 HHBDMN COc1ccc(NC(=O)CC[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000550390745 1009901112 /nfs/dbraw/zinc/90/11/12/1009901112.db2.gz HBMZEGYDDKTCHU-KRWDZBQOSA-N 0 1 419.865 3.739 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000521331187 1010310172 /nfs/dbraw/zinc/31/01/72/1010310172.db2.gz UKUBEMPGLUOYSW-UHFFFAOYSA-N 0 1 404.511 3.838 20 5 HHBDMN CCN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCOC(C)(C)C1 ZINC000521692720 1010555579 /nfs/dbraw/zinc/55/55/79/1010555579.db2.gz BPYQGUXLGXHTAN-MRXNPFEDSA-N 0 1 418.519 3.936 20 5 HHBDMN CN(c1ccccc1)c1ccc(CN[C@H]2CCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000522107392 1010815692 /nfs/dbraw/zinc/81/56/92/1010815692.db2.gz QHAXFGDZFKTHDP-INIZCTEOSA-N 0 1 422.407 3.616 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F ZINC000522243393 1010885118 /nfs/dbraw/zinc/88/51/18/1010885118.db2.gz MEWHADPDLFAMPB-UHFFFAOYSA-N 0 1 422.407 3.926 20 5 HHBDMN COCCn1ccc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc21 ZINC000536117724 1011236039 /nfs/dbraw/zinc/23/60/39/1011236039.db2.gz WGSVVPWPUYHMLN-UHFFFAOYSA-N 0 1 403.460 3.614 20 5 HHBDMN O=[N+]([O-])c1ccccc1/C=C\CNCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000540601469 1011255744 /nfs/dbraw/zinc/25/57/44/1011255744.db2.gz HLYCOHSATPIZJM-FLIBITNWSA-N 0 1 415.515 3.572 20 5 HHBDMN O=C(CN1CCC[C@H]1C1CCOCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000540826296 1011490378 /nfs/dbraw/zinc/49/03/78/1011490378.db2.gz CGVCHDGLXKQEKJ-SFHVURJKSA-N 0 1 416.503 3.548 20 5 HHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541013247 1011648218 /nfs/dbraw/zinc/64/82/18/1011648218.db2.gz HFHYNQAFBJCJCA-UHFFFAOYSA-N 0 1 423.391 3.730 20 5 HHBDMN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000523269000 1011751203 /nfs/dbraw/zinc/75/12/03/1011751203.db2.gz BOLKOAHYGSTXTA-ZDUSSCGKSA-N 0 1 413.865 3.689 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Br)ccc1C ZINC000536699387 1011869385 /nfs/dbraw/zinc/86/93/85/1011869385.db2.gz DEUYCKNDHVWYIB-UHFFFAOYSA-N 0 1 415.265 3.613 20 5 HHBDMN Cc1c([C@H](C)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cccc1[N+](=O)[O-] ZINC000551817996 1011975485 /nfs/dbraw/zinc/97/54/85/1011975485.db2.gz OJWOYIOEZFHVIA-NPMXOYFQSA-N 0 1 422.485 3.979 20 5 HHBDMN CN(C)[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000552045938 1012065196 /nfs/dbraw/zinc/06/51/96/1012065196.db2.gz TYDHPEAAMKWFDD-WOJBJXKFSA-N 0 1 413.909 3.964 20 5 HHBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000536883707 1012132103 /nfs/dbraw/zinc/13/21/03/1012132103.db2.gz ZTHVZYKUOKMNJE-INIZCTEOSA-N 0 1 419.485 3.776 20 5 HHBDMN Cc1c(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000541545955 1012331699 /nfs/dbraw/zinc/33/16/99/1012331699.db2.gz QYOAXBPHVNEKRZ-HNNXBMFYSA-N 0 1 405.336 3.560 20 5 HHBDMN CCc1ccc([C@@H](NCCCN2C[C@@H](C)O[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549930 1012337366 /nfs/dbraw/zinc/33/73/66/1012337366.db2.gz LMHZCGSHUZCJAE-JKSBSHDWSA-N 0 1 401.507 3.929 20 5 HHBDMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000537053780 1012381587 /nfs/dbraw/zinc/38/15/87/1012381587.db2.gz CZUDQTHESUYLHP-LBPRGKRZSA-N 0 1 416.865 3.886 20 5 HHBDMN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(-c2cn[nH]n2)c1 ZINC000541589873 1012382219 /nfs/dbraw/zinc/38/22/19/1012382219.db2.gz QLTNJLXIBGSAIW-UHFFFAOYSA-N 0 1 420.351 3.839 20 5 HHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000523798066 1012457985 /nfs/dbraw/zinc/45/79/85/1012457985.db2.gz ATZCXNISDATZHM-UHFFFAOYSA-N 0 1 402.470 3.916 20 5 HHBDMN C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-c2cccnc2)cc1 ZINC000537133066 1012519110 /nfs/dbraw/zinc/51/91/10/1012519110.db2.gz CAOHFGQRHMVWBH-CQSZACIVSA-N 0 1 420.425 3.675 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541702424 1012552088 /nfs/dbraw/zinc/55/20/88/1012552088.db2.gz ZGEHMJXTHMHFKE-VQIMIIECSA-N 0 1 417.437 3.533 20 5 HHBDMN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](c1ccco1)N1CCCC1 ZINC000523887345 1012589310 /nfs/dbraw/zinc/58/93/10/1012589310.db2.gz FJQNQCOXEDPPDJ-MRXNPFEDSA-N 0 1 407.854 3.563 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[C@@H]3C(C)C)cc2)cc1[N+](=O)[O-] ZINC000537244669 1012687563 /nfs/dbraw/zinc/68/75/63/1012687563.db2.gz QNWGTWIBFITBGM-GOSISDBHSA-N 0 1 417.487 3.575 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c1 ZINC000541813924 1012700800 /nfs/dbraw/zinc/70/08/00/1012700800.db2.gz NBOPLARJCAOIOA-BEFAXECRSA-N 0 1 423.560 3.635 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000524131835 1012916079 /nfs/dbraw/zinc/91/60/79/1012916079.db2.gz NXCOCKYKNRGTTA-UHFFFAOYSA-N 0 1 402.208 3.703 20 5 HHBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000524143566 1012928963 /nfs/dbraw/zinc/92/89/63/1012928963.db2.gz COWJTSABIMRBRA-HNNXBMFYSA-N 0 1 424.320 3.986 20 5 HHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3ncsc3c2)ccc1Br ZINC000760341975 1072264330 /nfs/dbraw/zinc/26/43/30/1072264330.db2.gz CKFPLUQVPDONSV-UHFFFAOYSA-N 0 1 414.262 3.768 20 5 HHBDMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000571719851 1072710044 /nfs/dbraw/zinc/71/00/44/1072710044.db2.gz ZRMRWJTVIRDYFC-UHFFFAOYSA-N 0 1 400.263 3.949 20 5 HHBDMN COc1cc(CNC[C@H](O)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])cc1O ZINC000760701860 1073195895 /nfs/dbraw/zinc/19/58/95/1073195895.db2.gz FSQYNWXADVZEQV-QFIPXVFZSA-N 0 1 424.453 3.711 20 5 HHBDMN COC(=O)c1c(C)csc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000589039818 1073378950 /nfs/dbraw/zinc/37/89/50/1073378950.db2.gz BQJHXJRYSGHKGD-UHFFFAOYSA-N 0 1 405.251 3.828 20 5 HHBDMN O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000555422915 1073447359 /nfs/dbraw/zinc/44/73/59/1073447359.db2.gz NPTIOPJZONSROB-OAHLLOKOSA-N 0 1 413.478 3.532 20 5 HHBDMN O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000555422915 1073447363 /nfs/dbraw/zinc/44/73/63/1073447363.db2.gz NPTIOPJZONSROB-OAHLLOKOSA-N 0 1 413.478 3.532 20 5 HHBDMN COc1ccc(CN[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000555605689 1073670515 /nfs/dbraw/zinc/67/05/15/1073670515.db2.gz JUILNRCIFJHEJS-KBXCAEBGSA-N 0 1 401.438 3.584 20 5 HHBDMN C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000590499156 1073859672 /nfs/dbraw/zinc/85/96/72/1073859672.db2.gz AWSBEROLPMJCEZ-GJZGRUSLSA-N 0 1 417.487 3.799 20 5 HHBDMN O=C(Nc1ccccc1Nc1ccncc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000590537427 1073882960 /nfs/dbraw/zinc/88/29/60/1073882960.db2.gz AWMGVVWPJJJZGL-UHFFFAOYSA-N 0 1 400.398 3.593 20 5 HHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000590562328 1073916666 /nfs/dbraw/zinc/91/66/66/1073916666.db2.gz IWQPMZRYAFVRBX-UHFFFAOYSA-N 0 1 417.219 3.634 20 5 HHBDMN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000760886694 1074514607 /nfs/dbraw/zinc/51/46/07/1074514607.db2.gz OVXRGOQKTOWBEV-LSDHHAIUSA-N 0 1 416.478 3.985 20 5 HHBDMN COc1ccc(-c2ccc(CN3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000573726549 1074638738 /nfs/dbraw/zinc/63/87/38/1074638738.db2.gz VBBILYSMAXHLEQ-MLGOLLRUSA-N 0 1 414.380 3.856 20 5 HHBDMN COc1cc(Cl)ccc1S(=O)(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000592993217 1075155341 /nfs/dbraw/zinc/15/53/41/1075155341.db2.gz NNVQHCSWCQJCOK-UHFFFAOYSA-N 0 1 422.850 3.552 20 5 HHBDMN Cc1nc(CN2CCCC23CCN(c2ncnc4ccc([N+](=O)[O-])cc42)CC3)cs1 ZINC001164692077 719807728 /nfs/dbraw/zinc/80/77/28/719807728.db2.gz FPLQPOWJGVBMLS-UHFFFAOYSA-N 0 1 424.530 3.938 20 5 HHBDMN COc1cc(C)nc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164994566 722198636 /nfs/dbraw/zinc/19/86/36/722198636.db2.gz NYIGLRDPOXQUMX-NRFANRHFSA-N 0 1 400.454 3.691 20 5 HHBDMN Cc1nc(Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)ccc1[N+](=O)[O-] ZINC000301638551 971011355 /nfs/dbraw/zinc/01/13/55/971011355.db2.gz LMFMKFDVCSWRNG-UHFFFAOYSA-N 0 1 404.474 3.759 20 5 HHBDMN Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c2cc(F)ccc2n1 ZINC000301653456 971016053 /nfs/dbraw/zinc/01/60/53/971016053.db2.gz HERFJVVXAMALBR-UHFFFAOYSA-N 0 1 400.435 3.614 20 5 HHBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301898850 971104698 /nfs/dbraw/zinc/10/46/98/971104698.db2.gz XGNZYCDDRDPKII-YJYMSZOUSA-N 0 1 420.872 3.852 20 5 HHBDMN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000537544926 1013062343 /nfs/dbraw/zinc/06/23/43/1013062343.db2.gz UCIFIPSFBBOWQH-INIZCTEOSA-N 0 1 413.478 3.546 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(c4cccc(S(C)(=O)=O)c4[N+](=O)[O-])C3)[nH]c2c1 ZINC000302146732 971187527 /nfs/dbraw/zinc/18/75/27/971187527.db2.gz RKQHDVUAYHWSSV-AWEZNQCLSA-N 0 1 414.487 3.567 20 5 HHBDMN Cc1cc(NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302184230 971200868 /nfs/dbraw/zinc/20/08/68/971200868.db2.gz OWNFCRNMMNJGJU-IBGZPJMESA-N 0 1 420.469 3.972 20 5 HHBDMN COc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1[N+](=O)[O-] ZINC000537548834 1013067744 /nfs/dbraw/zinc/06/77/44/1013067744.db2.gz IKENPLQPKHAUSA-MRXNPFEDSA-N 0 1 413.478 3.789 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000537560568 1013088029 /nfs/dbraw/zinc/08/80/29/1013088029.db2.gz GZFAZKRYQAZDAR-OAHLLOKOSA-N 0 1 422.445 3.800 20 5 HHBDMN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000303589117 971882130 /nfs/dbraw/zinc/88/21/30/971882130.db2.gz RJLVJHSPFFSCFF-QGZVFWFLSA-N 0 1 407.392 3.547 20 5 HHBDMN O=C(CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303848187 972387444 /nfs/dbraw/zinc/38/74/44/972387444.db2.gz CXDQJMNXONZBMO-UHFFFAOYSA-N 0 1 421.482 3.550 20 5 HHBDMN Cc1cc(-c2nc(C3CC3)no2)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000542234877 1013190550 /nfs/dbraw/zinc/19/05/50/1013190550.db2.gz SLTSZECFXVAIDF-UHFFFAOYSA-N 0 1 414.443 3.940 20 5 HHBDMN Cc1cc(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)ccc1[N+](=O)[O-] ZINC000008115298 961436634 /nfs/dbraw/zinc/43/66/34/961436634.db2.gz PINPSJBJAPEMNY-UHFFFAOYSA-N 0 1 402.208 3.703 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)N1CCCC1 ZINC000010137014 961750030 /nfs/dbraw/zinc/75/00/30/961750030.db2.gz AIJHLQPROQORQU-SFHVURJKSA-N 0 1 415.515 3.892 20 5 HHBDMN CN(C)Cc1cc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000542353510 1013310677 /nfs/dbraw/zinc/31/06/77/1013310677.db2.gz BJOAXAWDHBSSSA-UHFFFAOYSA-N 0 1 411.886 3.857 20 5 HHBDMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)n2)o1 ZINC000012839293 962336055 /nfs/dbraw/zinc/33/60/55/962336055.db2.gz UCHSTUMLHSTMCE-FNORWQNLSA-N 0 1 403.395 3.655 20 5 HHBDMN COc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3F)n[nH]2)c([N+](=O)[O-])c1 ZINC000016904568 963129157 /nfs/dbraw/zinc/12/91/57/963129157.db2.gz UNPOKPCCFQDXSW-JTQLQIEISA-N 0 1 417.422 3.647 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000542472240 1013419992 /nfs/dbraw/zinc/41/99/92/1013419992.db2.gz ILAFOWJHSJACPO-OAHLLOKOSA-N 0 1 405.336 3.560 20 5 HHBDMN CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000024482532 964008642 /nfs/dbraw/zinc/00/86/42/964008642.db2.gz WWTIRZJLEHSSHL-OAHLLOKOSA-N 0 1 406.822 3.767 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)c1C ZINC000024576155 964024300 /nfs/dbraw/zinc/02/43/00/964024300.db2.gz BOKOCCJDZZACGD-UHFFFAOYSA-N 0 1 400.416 3.595 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccsc1 ZINC000050561562 964354475 /nfs/dbraw/zinc/35/44/75/964354475.db2.gz WEYGIVAUMWQFNE-INIZCTEOSA-N 0 1 402.501 3.813 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)c1[N+](=O)[O-] ZINC000537916461 1013500993 /nfs/dbraw/zinc/50/09/93/1013500993.db2.gz MOLOATMNUYVLGV-UHFFFAOYSA-N 0 1 417.516 3.962 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000027574190 964922289 /nfs/dbraw/zinc/92/22/89/964922289.db2.gz AJHNBUUZAGXLTD-KRWDZBQOSA-N 0 1 403.504 3.868 20 5 HHBDMN O=C(CCN1CCC(C(=O)c2cc(F)ccc2F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000052873089 965009647 /nfs/dbraw/zinc/00/96/47/965009647.db2.gz HLDJRPKJNQCMRE-UHFFFAOYSA-N 0 1 417.412 3.797 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000028840083 965197795 /nfs/dbraw/zinc/19/77/95/965197795.db2.gz KTQKHETVNORKMJ-IBGZPJMESA-N 0 1 405.882 3.826 20 5 HHBDMN COc1cc([C@H]2N(C)c3ccccc3C(=O)N2Cc2ccco2)cc([N+](=O)[O-])c1O ZINC000028923874 965217382 /nfs/dbraw/zinc/21/73/82/965217382.db2.gz RVZRRYFWQYWSDR-FQEVSTJZSA-N 0 1 409.398 3.693 20 5 HHBDMN CC(C)(C)[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000053644204 965238009 /nfs/dbraw/zinc/23/80/09/965238009.db2.gz KCUXEQISYADPOW-LJQANCHMSA-N 0 1 403.410 3.778 20 5 HHBDMN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000057121314 965293602 /nfs/dbraw/zinc/29/36/02/965293602.db2.gz FZBSEERTTATYHY-ZDUSSCGKSA-N 0 1 405.476 3.541 20 5 HHBDMN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029889423 965542817 /nfs/dbraw/zinc/54/28/17/965542817.db2.gz QIEHZIUSQLDZJO-UHFFFAOYSA-N 0 1 413.231 3.950 20 5 HHBDMN C[C@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000030001675 965591236 /nfs/dbraw/zinc/59/12/36/965591236.db2.gz GQJWLDAJKUFCDN-GJZGRUSLSA-N 0 1 400.435 3.724 20 5 HHBDMN CCN(CC)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000031000403 965855991 /nfs/dbraw/zinc/85/59/91/965855991.db2.gz BBFIYWMLTVBNSW-LJQANCHMSA-N 0 1 405.882 3.826 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000055573336 965927665 /nfs/dbraw/zinc/92/76/65/965927665.db2.gz NMHCRQYCOQCCAH-UHFFFAOYSA-N 0 1 405.476 3.641 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(OCc3cccnc3)c2)c1C ZINC000055632243 965976594 /nfs/dbraw/zinc/97/65/94/965976594.db2.gz JBTLYLCEQPJGIW-UHFFFAOYSA-N 0 1 413.455 3.986 20 5 HHBDMN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1 ZINC000060063769 966056066 /nfs/dbraw/zinc/05/60/66/966056066.db2.gz ACPDSPSSSHDISH-SFHVURJKSA-N 0 1 403.504 3.868 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000055870072 966111228 /nfs/dbraw/zinc/11/12/28/966111228.db2.gz ICUMMDNOAVHPCX-IAGOWNOFSA-N 0 1 412.490 3.563 20 5 HHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(-c3csnn3)cc2)cc1[N+](=O)[O-] ZINC000060554306 966203961 /nfs/dbraw/zinc/20/39/61/966203961.db2.gz AKZHTZCOALYIQK-UHFFFAOYSA-N 0 1 410.864 3.876 20 5 HHBDMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)F)c2Cl)c([N+](=O)[O-])c1 ZINC000542721835 1013633267 /nfs/dbraw/zinc/63/32/67/1013633267.db2.gz NYDMUDZLMTZXQJ-UHFFFAOYSA-N 0 1 420.777 3.773 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000056154197 966237036 /nfs/dbraw/zinc/23/70/36/966237036.db2.gz MZLROVHWPXFIGZ-UONOGXRCSA-N 0 1 417.462 3.607 20 5 HHBDMN O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000056212082 966260337 /nfs/dbraw/zinc/26/03/37/966260337.db2.gz CBSKDTUAOYVPDS-UHFFFAOYSA-N 0 1 414.849 3.603 20 5 HHBDMN CCOc1ccc(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)cc1[N+](=O)[O-] ZINC000032516448 966276631 /nfs/dbraw/zinc/27/66/31/966276631.db2.gz IHMIFHAWZOBRHZ-LJQANCHMSA-N 0 1 413.474 3.569 20 5 HHBDMN CCOc1cc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC000032762120 966324495 /nfs/dbraw/zinc/32/44/95/966324495.db2.gz ZMHNXRXNQAGQMB-INIZCTEOSA-N 0 1 419.503 3.631 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000041886361 966660416 /nfs/dbraw/zinc/66/04/16/966660416.db2.gz YVOAMDJATDYDEZ-VMPITWQZSA-N 0 1 408.502 3.563 20 5 HHBDMN COc1ccc(S(=O)(=O)[N-]c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000538133078 1013695319 /nfs/dbraw/zinc/69/53/19/1013695319.db2.gz QKGAHEUKVAIQKZ-OAHLLOKOSA-N 0 1 419.503 3.636 20 5 HHBDMN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000064510122 967218988 /nfs/dbraw/zinc/21/89/88/967218988.db2.gz XIJUJCDILJFSDG-UHFFFAOYSA-N 0 1 403.441 3.709 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000044802651 967293060 /nfs/dbraw/zinc/29/30/60/967293060.db2.gz RXKKTJBPTYVERO-NEPJUHHUSA-N 0 1 409.389 3.883 20 5 HHBDMN COc1cc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OC(C)C ZINC000538153249 1013713617 /nfs/dbraw/zinc/71/36/17/1013713617.db2.gz RFLSRLJTANCUHB-HNNXBMFYSA-N 0 1 401.463 3.988 20 5 HHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC000064931440 967328627 /nfs/dbraw/zinc/32/86/27/967328627.db2.gz DMJNNWVSOXNLEX-UHFFFAOYSA-N 0 1 415.334 3.705 20 5 HHBDMN O=C(NCc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045182036 967370789 /nfs/dbraw/zinc/37/07/89/967370789.db2.gz KYVRKFKUBJYHNQ-UHFFFAOYSA-N 0 1 402.882 3.712 20 5 HHBDMN CCOc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OCC ZINC000538166358 1013726958 /nfs/dbraw/zinc/72/69/58/1013726958.db2.gz UBMXUZPXXFLJOC-OAHLLOKOSA-N 0 1 401.463 3.990 20 5 HHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000542882787 1013731256 /nfs/dbraw/zinc/73/12/56/1013731256.db2.gz HLEWQRRDHPGCIM-ZBFHGGJFSA-N 0 1 417.510 3.834 20 5 HHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](Cc3cnn(C)c3)C2)cc1OC ZINC000542915727 1013755055 /nfs/dbraw/zinc/75/50/55/1013755055.db2.gz NDAWTUZVAODFEQ-DLBZAZTESA-N 0 1 416.522 3.826 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNc3nc4sccn4c3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000047511385 968217635 /nfs/dbraw/zinc/21/76/35/968217635.db2.gz KTAJDOQSVLZODD-ZIAGYGMSSA-N 0 1 401.492 3.525 20 5 HHBDMN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000071892200 968882772 /nfs/dbraw/zinc/88/27/72/968882772.db2.gz QWPQHRWUIPFMLJ-LJQANCHMSA-N 0 1 403.866 3.580 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000105110156 969220878 /nfs/dbraw/zinc/22/08/78/969220878.db2.gz DVDQFXWZTMSOEG-UHFFFAOYSA-N 0 1 405.476 3.641 20 5 HHBDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000109480871 969522743 /nfs/dbraw/zinc/52/27/43/969522743.db2.gz YSMVMKXONJVREH-MRXNPFEDSA-N 0 1 414.893 3.827 20 5 HHBDMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000109847379 969576836 /nfs/dbraw/zinc/57/68/36/969576836.db2.gz XKFBPJRYUGLRPP-MRXNPFEDSA-N 0 1 414.481 3.675 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2ccc(Br)cc2)CC1 ZINC000116415005 969892204 /nfs/dbraw/zinc/89/22/04/969892204.db2.gz WUPDHKIRXUOOAQ-UHFFFAOYSA-N 0 1 420.263 3.583 20 5 HHBDMN CN1CCN(c2ccc(Cl)cc2NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000209738961 970023272 /nfs/dbraw/zinc/02/32/72/970023272.db2.gz DJTYHPBYKYCCDD-WTKPLQERSA-N 0 1 400.866 3.652 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)ccc1[N+](=O)[O-] ZINC000217210751 970083557 /nfs/dbraw/zinc/08/35/57/970083557.db2.gz APUJQGQZEQHYJZ-UHFFFAOYSA-N 0 1 402.432 3.877 20 5 HHBDMN COc1cc(CNCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)ccn1 ZINC000237256803 970249470 /nfs/dbraw/zinc/24/94/70/970249470.db2.gz GLJJCWIFRBTEDJ-UHFFFAOYSA-N 0 1 409.442 3.876 20 5 HHBDMN CC(C)[N@@H+](C)Cc1ccccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146798707 970309287 /nfs/dbraw/zinc/30/92/87/970309287.db2.gz FVDONFKYZGYWNU-UHFFFAOYSA-N 0 1 411.911 3.567 20 5 HHBDMN O=[N+]([O-])c1cccc(CNCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1 ZINC000237859207 970383532 /nfs/dbraw/zinc/38/35/32/970383532.db2.gz VWVYQTCMUWBVFG-UHFFFAOYSA-N 0 1 421.476 3.745 20 5 HHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cccnc2N2CCOCC2)s1 ZINC000237960387 970406511 /nfs/dbraw/zinc/40/65/11/970406511.db2.gz BQJDEEZNILPASX-UHFFFAOYSA-N 0 1 410.499 3.845 20 5 HHBDMN Cc1sc(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)nc1-c1ccccc1 ZINC000409666188 973123687 /nfs/dbraw/zinc/12/36/87/973123687.db2.gz NTPZPRKSIYQFOD-UHFFFAOYSA-N 0 1 407.455 3.876 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000409868470 973335673 /nfs/dbraw/zinc/33/56/73/973335673.db2.gz VWKFVHGLXQMSMZ-UHFFFAOYSA-N 0 1 417.487 3.767 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426897365 974738708 /nfs/dbraw/zinc/73/87/08/974738708.db2.gz OWXFPUUWKAFYGJ-OAHLLOKOSA-N 0 1 423.391 3.627 20 5 HHBDMN CC(C)c1nc([C@H](C)NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n[nH]1 ZINC000426997728 974810033 /nfs/dbraw/zinc/81/00/33/974810033.db2.gz CEWXLARNAJPBFA-AWEZNQCLSA-N 0 1 409.446 3.906 20 5 HHBDMN O=C(NCc1ccnc(Oc2ccccc2F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000428033706 975397933 /nfs/dbraw/zinc/39/79/33/975397933.db2.gz RFDYCUXOOVFXQI-UHFFFAOYSA-N 0 1 407.361 3.728 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)ccc1[N+](=O)[O-] ZINC000431316136 978200972 /nfs/dbraw/zinc/20/09/72/978200972.db2.gz BMUULGLDRUFVRL-UHFFFAOYSA-N 0 1 424.438 3.743 20 5 HHBDMN C[C@@H](N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000432333863 978765047 /nfs/dbraw/zinc/76/50/47/978765047.db2.gz IAFRKCNLKBPFBB-PXAZEXFGSA-N 0 1 404.264 3.813 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)n2)cc1 ZINC000432913543 979010133 /nfs/dbraw/zinc/01/01/33/979010133.db2.gz ASWQXBIMJRHMJJ-UHFFFAOYSA-N 0 1 402.208 3.703 20 5 HHBDMN CC(C)NS(=O)(=O)c1cccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433160806 979107456 /nfs/dbraw/zinc/10/74/56/979107456.db2.gz PTQXKOGRAXUQCD-HXUWFJFHSA-N 0 1 417.531 3.794 20 5 HHBDMN CC1(C)C[C@H](NCc2cccc(N3CCCS3(=O)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433230164 979163775 /nfs/dbraw/zinc/16/37/75/979163775.db2.gz UBHPMZCMAITEQJ-FQEVSTJZSA-N 0 1 415.515 3.647 20 5 HHBDMN CC(C)c1n[nH]c(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000433751971 979547598 /nfs/dbraw/zinc/54/75/98/979547598.db2.gz SENQIJGARKSLPH-UHFFFAOYSA-N 0 1 419.913 3.737 20 5 HHBDMN CCOc1cc(CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])ccc1OC(F)F ZINC000433833261 979611884 /nfs/dbraw/zinc/61/18/84/979611884.db2.gz MZCMQJPCKQKUFH-UHFFFAOYSA-N 0 1 412.393 3.714 20 5 HHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000434070375 979811551 /nfs/dbraw/zinc/81/15/51/979811551.db2.gz GQWPYBQHLRMKKZ-UHFFFAOYSA-N 0 1 417.385 3.560 20 5 HHBDMN CSc1ccc(-c2nsc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])n2)cc1 ZINC000434398369 980142929 /nfs/dbraw/zinc/14/29/29/980142929.db2.gz JRCWZNROAYUDBS-UHFFFAOYSA-N 0 1 404.477 3.934 20 5 HHBDMN O=C(NC[C@H]1CCCCN1C1CC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000434446704 980186031 /nfs/dbraw/zinc/18/60/31/980186031.db2.gz QQOHNOCZIDCRIZ-OAHLLOKOSA-N 0 1 411.452 3.706 20 5 HHBDMN O=C(NCc1csc(CCc2ccccc2)n1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000434557838 980251240 /nfs/dbraw/zinc/25/12/40/980251240.db2.gz HDZYTLXONTTXEI-UHFFFAOYSA-N 0 1 407.455 3.643 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000435623464 980966017 /nfs/dbraw/zinc/96/60/17/980966017.db2.gz VGYUCNPZPLVNKN-UHFFFAOYSA-N 0 1 422.485 3.963 20 5 HHBDMN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435692624 980989475 /nfs/dbraw/zinc/98/94/75/980989475.db2.gz HLTRXIRXAZTJKY-GOSISDBHSA-N 0 1 421.457 3.505 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Cc1ccccc1 ZINC000435826694 981048453 /nfs/dbraw/zinc/04/84/53/981048453.db2.gz MWXNLEDSMIEXGW-KRWDZBQOSA-N 0 1 417.484 3.723 20 5 HHBDMN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000435970328 981122148 /nfs/dbraw/zinc/12/21/48/981122148.db2.gz VZHZAMTXLZKSQJ-XHDPSFHLSA-N 0 1 401.220 3.520 20 5 HHBDMN C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCCC[C@@H]1C ZINC000436098548 981199220 /nfs/dbraw/zinc/19/92/20/981199220.db2.gz KEFBLHNIPRIWIT-UONOGXRCSA-N 0 1 413.468 3.952 20 5 HHBDMN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436134157 981213982 /nfs/dbraw/zinc/21/39/82/981213982.db2.gz PHKQADULJOMKBP-UONOGXRCSA-N 0 1 413.468 3.810 20 5 HHBDMN C[N@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000436729996 981535547 /nfs/dbraw/zinc/53/55/47/981535547.db2.gz DCJLCKLZIWZGTM-SJKOYZFVSA-N 0 1 407.829 3.516 20 5 HHBDMN COc1c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c(O)c2)cccc1[N+](=O)[O-] ZINC000436987602 981670225 /nfs/dbraw/zinc/67/02/25/981670225.db2.gz JUHFHOYJZPKSEW-UHFFFAOYSA-N 0 1 413.430 3.624 20 5 HHBDMN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C ZINC000460240500 982018165 /nfs/dbraw/zinc/01/81/65/982018165.db2.gz SNRYEJWDHKTWHR-KRWDZBQOSA-N 0 1 406.490 3.584 20 5 HHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3nnc(C(C)C)n3c2)cc1[N+](=O)[O-] ZINC000438243249 982676974 /nfs/dbraw/zinc/67/69/74/982676974.db2.gz IAIQKTLWBYOBJL-UHFFFAOYSA-N 0 1 409.855 3.524 20 5 HHBDMN C[C@@H](O)CN1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000438262586 982687208 /nfs/dbraw/zinc/68/72/08/982687208.db2.gz SINWTLPFFCHUES-OAHLLOKOSA-N 0 1 405.882 3.539 20 5 HHBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Br)s1 ZINC000439191348 983301841 /nfs/dbraw/zinc/30/18/41/983301841.db2.gz UJWGSTPXFVTKMS-QMMMGPOBSA-N 0 1 422.264 3.946 20 5 HHBDMN COc1cc(CN(C)[C@H]2CC[C@H](O)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000439779295 983535334 /nfs/dbraw/zinc/53/53/34/983535334.db2.gz HKYKSOZAVBRHIB-WGSAOQKQSA-N 0 1 400.475 3.918 20 5 HHBDMN COc1cc(C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)cc([N+](=O)[O-])c1OC ZINC000439986334 983606144 /nfs/dbraw/zinc/60/61/44/983606144.db2.gz CXQJQMNPLGTSPQ-UHFFFAOYSA-N 0 1 419.522 3.585 20 5 HHBDMN COc1ccc([C@H]2CCCN2CCOc2ccc(OC)cc2[N+](=O)[O-])c(OC)c1 ZINC000441249846 984137940 /nfs/dbraw/zinc/13/79/40/984137940.db2.gz PIKPECYYJFGFSF-GOSISDBHSA-N 0 1 402.447 3.837 20 5 HHBDMN COc1ccc(OCCN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000441404955 984234865 /nfs/dbraw/zinc/23/48/65/984234865.db2.gz UYUNVNGNNQPAPT-INIZCTEOSA-N 0 1 402.422 3.716 20 5 HHBDMN Cc1cc(N2CCC(CCN3CCOCC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461781392 984776870 /nfs/dbraw/zinc/77/68/70/984776870.db2.gz SHVMTZNAEPGPFG-UHFFFAOYSA-N 0 1 401.429 3.861 20 5 HHBDMN CCn1cc(CN2CCCN(c3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)CC2)cn1 ZINC000461951702 984947502 /nfs/dbraw/zinc/94/75/02/984947502.db2.gz YFKDXMDWARCDCZ-UHFFFAOYSA-N 0 1 411.428 3.851 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000462164263 985140191 /nfs/dbraw/zinc/14/01/91/985140191.db2.gz ZNCJWIUFKODGHK-CYBMUJFWSA-N 0 1 422.334 3.541 20 5 HHBDMN COc1cc(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1C ZINC000462333437 985323753 /nfs/dbraw/zinc/32/37/53/985323753.db2.gz JQIKMGIGABKVCV-UHFFFAOYSA-N 0 1 419.286 3.740 20 5 HHBDMN Cc1c([C@H](C)N[C@@H]2CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000443205660 985442080 /nfs/dbraw/zinc/44/20/80/985442080.db2.gz DOZFCDFISSETQZ-KVSKMBFKSA-N 0 1 419.522 3.521 20 5 HHBDMN O=C1C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1CCOc1ccccc1 ZINC000462727023 985673859 /nfs/dbraw/zinc/67/38/59/985673859.db2.gz VOFIHSASCIMMMF-SFHVURJKSA-N 0 1 421.453 3.624 20 5 HHBDMN C[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000462729260 985675978 /nfs/dbraw/zinc/67/59/78/985675978.db2.gz PEKVNPXPSIMCAQ-SECBINFHSA-N 0 1 423.249 3.787 20 5 HHBDMN O=C(C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCN1CCC1 ZINC000443968930 986176376 /nfs/dbraw/zinc/17/63/76/986176376.db2.gz DVRLIABEGJZDFF-SAPNQHFASA-N 0 1 422.510 3.957 20 5 HHBDMN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000443999292 986198224 /nfs/dbraw/zinc/19/82/24/986198224.db2.gz AEWLWIUVUWNOGJ-ZIAGYGMSSA-N 0 1 413.468 3.952 20 5 HHBDMN COC(=O)COc1ccc(CN[C@@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000444005181 986202220 /nfs/dbraw/zinc/20/22/20/986202220.db2.gz VNUVCYQVWMSFEC-LBPRGKRZSA-N 0 1 423.263 3.760 20 5 HHBDMN Nc1c(Br)cc(Br)cc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000463244721 986211866 /nfs/dbraw/zinc/21/18/66/986211866.db2.gz PSZJDPALLZQQRW-UHFFFAOYSA-N 0 1 415.085 3.992 20 5 HHBDMN CN(C)Cc1ccnc(NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444099984 986297966 /nfs/dbraw/zinc/29/79/66/986297966.db2.gz UVDHUJXKJXLZQP-UHFFFAOYSA-N 0 1 408.408 3.668 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)c1[N+](=O)[O-] ZINC000444257051 986454383 /nfs/dbraw/zinc/45/43/83/986454383.db2.gz CBWIJTQKIZXBCD-OAHLLOKOSA-N 0 1 414.853 3.901 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)c1[N+](=O)[O-] ZINC000444257050 986454589 /nfs/dbraw/zinc/45/45/89/986454589.db2.gz CBWIJTQKIZXBCD-HNNXBMFYSA-N 0 1 414.853 3.901 20 5 HHBDMN CC(C)CCSc1ccc(C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000444560070 986753604 /nfs/dbraw/zinc/75/36/04/986753604.db2.gz YSLDFDMREJKHRX-MRXNPFEDSA-N 0 1 423.579 3.650 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cccc(CCC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000469055303 986766956 /nfs/dbraw/zinc/76/69/56/986766956.db2.gz UAFIWRNJYBBZOH-UHFFFAOYSA-N 0 1 404.366 3.899 20 5 HHBDMN CN(C)[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000469482235 987164500 /nfs/dbraw/zinc/16/45/00/987164500.db2.gz QSNYVXZGYBVVBN-GOSISDBHSA-N 0 1 409.408 3.965 20 5 HHBDMN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)Cc3cccc(C(F)(F)F)c3)ccc2c1 ZINC000469741766 987392422 /nfs/dbraw/zinc/39/24/22/987392422.db2.gz NVKGMQBQSDKUNE-UHFFFAOYSA-N 0 1 411.361 4.104 20 5 HHBDMN COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000470117342 988019348 /nfs/dbraw/zinc/01/93/48/988019348.db2.gz ZEPUGWDLURGAIK-WOJBJXKFSA-N 0 1 414.437 3.842 20 5 HHBDMN O=C(CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000464199369 988318918 /nfs/dbraw/zinc/31/89/18/988318918.db2.gz KKNANOFPMFXSOU-UHFFFAOYSA-N 0 1 423.661 3.716 20 5 HHBDMN COc1ccc(CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])[C@H](CO)C(C)C)cc1 ZINC000464491129 988663027 /nfs/dbraw/zinc/66/30/27/988663027.db2.gz SRNDCPCGJMTPQW-HXUWFJFHSA-N 0 1 406.454 3.770 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000470712317 988734179 /nfs/dbraw/zinc/73/41/79/988734179.db2.gz WOMVVVNSXWUYIM-LLVKDONJSA-N 0 1 413.261 3.871 20 5 HHBDMN C[C@@H](Cc1ccccc1Br)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000470743038 988782406 /nfs/dbraw/zinc/78/24/06/988782406.db2.gz FSFXARKNDFCQDE-JTQLQIEISA-N 0 1 403.236 3.595 20 5 HHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000470880453 988949936 /nfs/dbraw/zinc/94/99/36/988949936.db2.gz QCWJHNVBKMFDEP-UHFFFAOYSA-N 0 1 402.407 3.827 20 5 HHBDMN O=C(CN(CCCO)[C@@H]1CCCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000471031933 989104481 /nfs/dbraw/zinc/10/44/81/989104481.db2.gz WRCWKXRODFHQAG-HXUWFJFHSA-N 0 1 417.893 3.949 20 5 HHBDMN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000465172169 989504547 /nfs/dbraw/zinc/50/45/47/989504547.db2.gz GFAOEVOROZTNBH-UHFFFAOYSA-N 0 1 408.414 3.691 20 5 HHBDMN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H](c1ccccc1)N(C)C ZINC000471540765 989739973 /nfs/dbraw/zinc/73/99/73/989739973.db2.gz VASHYWCAWJKHMI-AVRWGWEMSA-N 0 1 413.521 3.962 20 5 HHBDMN COc1cc(CNCc2cc3cc(Br)ccc3[nH]2)c([N+](=O)[O-])cc1O ZINC000466452916 991743486 /nfs/dbraw/zinc/74/34/86/991743486.db2.gz GPGRCCSIHDEDCL-UHFFFAOYSA-N 0 1 406.236 3.843 20 5 HHBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)CCC1CCOCC1 ZINC000466462142 991753391 /nfs/dbraw/zinc/75/33/91/991753391.db2.gz CUHYSIVCYHREKH-CQSZACIVSA-N 0 1 418.519 3.794 20 5 HHBDMN Cc1sc(S(=O)(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)cc1[N+](=O)[O-] ZINC000466956987 992267181 /nfs/dbraw/zinc/26/71/81/992267181.db2.gz DHUPWTIRNFTQEN-UHFFFAOYSA-N 0 1 416.452 3.860 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000467100321 992405922 /nfs/dbraw/zinc/40/59/22/992405922.db2.gz FWAUWAOOPJNZBL-HNNXBMFYSA-N 0 1 420.351 3.951 20 5 HHBDMN O=C1c2ccccc2CCN1CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467398121 992707194 /nfs/dbraw/zinc/70/71/94/992707194.db2.gz FMURVBJTAJPEPH-QHCPKHFHSA-N 0 1 401.466 3.972 20 5 HHBDMN O=C1NC[C@@H]2[C@H]1CCCN2Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000467521907 992798882 /nfs/dbraw/zinc/79/88/82/992798882.db2.gz SEHCLJJVQLFAAA-SJLPKXTDSA-N 0 1 401.850 3.751 20 5 HHBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000480751024 993618087 /nfs/dbraw/zinc/61/80/87/993618087.db2.gz PRNXYKFIUYLNEU-VIFPVBQESA-N 0 1 408.329 3.672 20 5 HHBDMN CC(C)(C)Oc1cccc(CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000481175216 994005983 /nfs/dbraw/zinc/00/59/83/994005983.db2.gz MLCMCRXITXXVPP-UHFFFAOYSA-N 0 1 424.505 3.756 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000481377832 994209703 /nfs/dbraw/zinc/20/97/03/994209703.db2.gz VQBRHAUAJFBCSN-MAUKXSAKSA-N 0 1 423.560 3.635 20 5 HHBDMN COC(=O)COc1ccc(CN[C@@H](C)c2cc3cccc(F)c3o2)cc1[N+](=O)[O-] ZINC000473996000 994984556 /nfs/dbraw/zinc/98/45/56/994984556.db2.gz NPQFOAINRWGYDW-LBPRGKRZSA-N 0 1 402.378 3.883 20 5 HHBDMN COC(=O)COc1ccc(CN[C@@H](C)c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000474024085 995015721 /nfs/dbraw/zinc/01/57/21/995015721.db2.gz UZMSVRMVMORMDR-LBPRGKRZSA-N 0 1 401.444 3.607 20 5 HHBDMN O=C(CN(Cc1ccccc1)CC1(O)CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000474232298 995229563 /nfs/dbraw/zinc/22/95/63/995229563.db2.gz OEKAEHKRJYXHCV-UHFFFAOYSA-N 0 1 417.893 3.994 20 5 HHBDMN COC(=O)COc1ccc(CNCc2c(OC)ccc3ccccc32)cc1[N+](=O)[O-] ZINC000474364098 995344201 /nfs/dbraw/zinc/34/42/01/995344201.db2.gz SWURRBJLSCRFPV-UHFFFAOYSA-N 0 1 410.426 3.598 20 5 HHBDMN COC(=O)COc1ccc(CNCc2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000474367059 995346985 /nfs/dbraw/zinc/34/69/85/995346985.db2.gz CJMWVMHZADNHIQ-UHFFFAOYSA-N 0 1 416.327 3.594 20 5 HHBDMN COc1ccc(-c2ccc(CN[C@H](c3nnc[nH]3)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000482537258 995545560 /nfs/dbraw/zinc/54/55/60/995545560.db2.gz RCZSCIWDXOQTFM-FQEVSTJZSA-N 0 1 405.414 3.861 20 5 HHBDMN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2ccc(Br)c(Cl)c2)c1 ZINC000475824904 996395131 /nfs/dbraw/zinc/39/51/31/996395131.db2.gz KEBMYEWACAPVMZ-UHFFFAOYSA-N 0 1 409.620 3.951 20 5 HHBDMN O=C(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476010470 996539724 /nfs/dbraw/zinc/53/97/24/996539724.db2.gz JSDGXHMPABBPCT-FQEVSTJZSA-N 0 1 420.400 3.961 20 5 HHBDMN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000476251117 996706616 /nfs/dbraw/zinc/70/66/16/996706616.db2.gz ILBJTZFETCHBHY-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(-c2nc(C3CC3)no2)c1 ZINC000476415692 996878246 /nfs/dbraw/zinc/87/82/46/996878246.db2.gz PTZQHXORHWCAMA-UHFFFAOYSA-N 0 1 414.443 3.940 20 5 HHBDMN COc1ccc(OC)c(-c2csc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)n2)c1 ZINC000476515691 997004608 /nfs/dbraw/zinc/00/46/08/997004608.db2.gz UOKJELWKOMVGOQ-UHFFFAOYSA-N 0 1 401.400 3.693 20 5 HHBDMN CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000484764477 997106755 /nfs/dbraw/zinc/10/67/55/997106755.db2.gz JHNIJLUXEQXRME-NRFANRHFSA-N 0 1 420.437 3.709 20 5 HHBDMN CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCc2ccccc2C1 ZINC000484797241 997148780 /nfs/dbraw/zinc/14/87/80/997148780.db2.gz KBUKIXOWWFZOGT-UHFFFAOYSA-N 0 1 419.428 3.763 20 5 HHBDMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000485090110 997463645 /nfs/dbraw/zinc/46/36/45/997463645.db2.gz CTUUWIJSMBUNPH-UHFFFAOYSA-N 0 1 404.386 3.953 20 5 HHBDMN COc1cc(CN2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000485720348 998189417 /nfs/dbraw/zinc/18/94/17/998189417.db2.gz YGHSNHOKXLQJDT-UHFFFAOYSA-N 0 1 415.465 3.579 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc2ncsc2c1 ZINC000485815574 998283470 /nfs/dbraw/zinc/28/34/70/998283470.db2.gz CQWBBFCDFHMDPG-VXGBXAGGSA-N 0 1 400.460 3.891 20 5 HHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000485948635 998392257 /nfs/dbraw/zinc/39/22/57/998392257.db2.gz ZQFRXWJMSDHOOR-NSHDSACASA-N 0 1 408.785 3.873 20 5 HHBDMN COC(=O)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)c(C)c([N+](=O)[O-])c1 ZINC000486018396 998463862 /nfs/dbraw/zinc/46/38/62/998463862.db2.gz RTGWOOPTYBFDGV-UHFFFAOYSA-N 0 1 400.412 3.644 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000487730002 999268658 /nfs/dbraw/zinc/26/86/58/999268658.db2.gz NFBNYHYYKLZBFR-QGZVFWFLSA-N 0 1 411.506 3.928 20 5 HHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cccc(N3CCOCC3)n2)s1 ZINC000479609788 999499882 /nfs/dbraw/zinc/49/98/82/999499882.db2.gz HFCBJKJKVWLOKY-UHFFFAOYSA-N 0 1 410.499 3.845 20 5 HHBDMN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000479766586 999580845 /nfs/dbraw/zinc/58/08/45/999580845.db2.gz QAUMGVPBTDRKCN-ZLIFDBKOSA-N 0 1 414.462 3.586 20 5 HHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000488882407 999635903 /nfs/dbraw/zinc/63/59/03/999635903.db2.gz CWEBQVLKBLCSAS-HNNXBMFYSA-N 0 1 417.506 3.995 20 5 HHBDMN C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489002649 999669051 /nfs/dbraw/zinc/66/90/51/999669051.db2.gz AKFDABZGWYRKIH-DLBZAZTESA-N 0 1 421.501 3.847 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[C@H](C)[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000480141984 999728914 /nfs/dbraw/zinc/72/89/14/999728914.db2.gz GMZAGEDEGIKCLQ-ZFWWWQNUSA-N 0 1 417.487 3.575 20 5 HHBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000489243922 999729070 /nfs/dbraw/zinc/72/90/70/999729070.db2.gz FESGJVGQPWFNEO-SCZZXKLOSA-N 0 1 410.272 3.788 20 5 HHBDMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489403771 999759994 /nfs/dbraw/zinc/75/99/94/999759994.db2.gz DONMTNKCSUCSJL-UHFFFAOYSA-N 0 1 403.354 3.514 20 5 HHBDMN CC[NH+](CC)C[C@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000480515617 999816428 /nfs/dbraw/zinc/81/64/28/999816428.db2.gz RWQFKYRSRIANDN-HNNXBMFYSA-N 0 1 406.508 3.538 20 5 HHBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480662069 999853662 /nfs/dbraw/zinc/85/36/62/999853662.db2.gz LPCBRRSKLNBXNA-LHSJRXKWSA-N 0 1 411.437 3.564 20 5 HHBDMN O=C(CCc1ccc(OC(F)F)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490344056 999941355 /nfs/dbraw/zinc/94/13/55/999941355.db2.gz MOUKBTPAMRJFDG-UHFFFAOYSA-N 0 1 403.345 3.553 20 5 HHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cnn(Cc2ccccc2Cl)c1 ZINC000490360105 999944198 /nfs/dbraw/zinc/94/41/98/999944198.db2.gz BXWKSPPIHGQKNX-UHFFFAOYSA-N 0 1 423.820 3.530 20 5 HHBDMN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490372659 999946809 /nfs/dbraw/zinc/94/68/09/999946809.db2.gz WHMNQFBFNVKBNN-GFCCVEGCSA-N 0 1 420.433 3.656 20 5 HHBDMN O=C(N[C@@H](c1cccc(F)c1)c1cccc(Br)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000490568730 999978714 /nfs/dbraw/zinc/97/87/14/999978714.db2.gz QXDFBLHTDRPPCI-OAHLLOKOSA-N 0 1 419.210 3.739 20 5 HHBDMN COc1cc(CN2CCCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491164832 1000051493 /nfs/dbraw/zinc/05/14/93/1000051493.db2.gz BWGMGZQRVCRSKR-UHFFFAOYSA-N 0 1 421.444 3.960 20 5 HHBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3cccnc3)nc2)cc1[N+](=O)[O-] ZINC000491583159 1000086040 /nfs/dbraw/zinc/08/60/40/1000086040.db2.gz GVVILTLGMGDJNK-UHFFFAOYSA-N 0 1 400.416 3.595 20 5 HHBDMN CC(C)c1nnc(-c2ccccc2NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[nH]1 ZINC000492148127 1000111968 /nfs/dbraw/zinc/11/19/68/1000111968.db2.gz RQHJVZUPWIHPFQ-UHFFFAOYSA-N 0 1 417.429 3.941 20 5 HHBDMN CCOc1cc(CN2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000492579580 1000133530 /nfs/dbraw/zinc/13/35/30/1000133530.db2.gz AZMVEQBJYHGFHZ-SFHVURJKSA-N 0 1 401.507 3.608 20 5 HHBDMN CC(C)c1nnc(-c2ccccc2NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[nH]1 ZINC000492636000 1000136595 /nfs/dbraw/zinc/13/65/95/1000136595.db2.gz KBPIPSZHNVFJIZ-UHFFFAOYSA-N 0 1 417.429 3.941 20 5 HHBDMN Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000493815285 1000195362 /nfs/dbraw/zinc/19/53/62/1000195362.db2.gz ICXZEPSJDOTGKK-KXBFYZLASA-N 0 1 423.560 3.635 20 5 HHBDMN CCSc1cc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccn1 ZINC000494273985 1000404379 /nfs/dbraw/zinc/40/43/79/1000404379.db2.gz MISIZEVDCDZBAF-UHFFFAOYSA-N 0 1 422.315 3.887 20 5 HHBDMN CCOc1ccc([C@@H](C)NCc2ccnc(OC3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000504926567 1000451925 /nfs/dbraw/zinc/45/19/25/1000451925.db2.gz JCSDTJWKQGMNMD-OAHLLOKOSA-N 0 1 401.463 3.797 20 5 HHBDMN Cc1c(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000494485258 1000518355 /nfs/dbraw/zinc/51/83/55/1000518355.db2.gz KGEXHXNUHBXWHZ-UHFFFAOYSA-N 0 1 411.439 3.956 20 5 HHBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000494488101 1000519177 /nfs/dbraw/zinc/51/91/77/1000519177.db2.gz RNDKMMLTVACRBZ-UHFFFAOYSA-N 0 1 411.439 3.577 20 5 HHBDMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494498486 1000525520 /nfs/dbraw/zinc/52/55/20/1000525520.db2.gz WIJWJYKEZLACLG-QAPCUYQASA-N 0 1 410.257 3.960 20 5 HHBDMN COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2OC)N2CCCCC2)cc1 ZINC000494610831 1000572764 /nfs/dbraw/zinc/57/27/64/1000572764.db2.gz FCQFELYTJRUMSL-FQEVSTJZSA-N 0 1 413.474 3.569 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000495149448 1000889640 /nfs/dbraw/zinc/88/96/40/1000889640.db2.gz GPSIYTGEOGEWAT-MRXNPFEDSA-N 0 1 411.380 3.655 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000505720475 1000992258 /nfs/dbraw/zinc/99/22/58/1000992258.db2.gz SWYHJVGMDGYNLM-UHFFFAOYSA-N 0 1 410.474 3.970 20 5 HHBDMN O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505777088 1001017950 /nfs/dbraw/zinc/01/79/50/1001017950.db2.gz MMRRBVDMJAFXJX-FQEVSTJZSA-N 0 1 423.494 3.891 20 5 HHBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000496706182 1001216713 /nfs/dbraw/zinc/21/67/13/1001216713.db2.gz FFMRCEZRRCLJMI-UHFFFAOYSA-N 0 1 413.459 3.570 20 5 HHBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000497358474 1001308267 /nfs/dbraw/zinc/30/82/67/1001308267.db2.gz ROOFOALXDAGIIM-KRWDZBQOSA-N 0 1 419.428 3.933 20 5 HHBDMN O=C(Nc1nnc(-c2cccc(Br)c2)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506331356 1001360109 /nfs/dbraw/zinc/36/01/09/1001360109.db2.gz NSKVPZCFYZGHEI-UHFFFAOYSA-N 0 1 421.232 3.834 20 5 HHBDMN O=C(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506469665 1001426999 /nfs/dbraw/zinc/42/69/99/1001426999.db2.gz JDPRPFRGOLOWCQ-UHFFFAOYSA-N 0 1 407.411 3.862 20 5 HHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000506493743 1001438144 /nfs/dbraw/zinc/43/81/44/1001438144.db2.gz JRYMHZBJYDUUSB-UHFFFAOYSA-N 0 1 414.531 3.886 20 5 HHBDMN C[C@H]1CN(Cc2ccc(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000497637278 1001467963 /nfs/dbraw/zinc/46/79/63/1001467963.db2.gz RZPNZNZRDCYKJJ-GJZGRUSLSA-N 0 1 417.893 3.787 20 5 HHBDMN O=C(NCCN1CCC1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000506741798 1001510588 /nfs/dbraw/zinc/51/05/88/1001510588.db2.gz JSBCUDYXZXMHEM-UHFFFAOYSA-N 0 1 422.844 3.685 20 5 HHBDMN C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000497868891 1001543448 /nfs/dbraw/zinc/54/34/48/1001543448.db2.gz QEHJQUUZZIXZGZ-CYBMUJFWSA-N 0 1 420.872 3.630 20 5 HHBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000497893441 1001553482 /nfs/dbraw/zinc/55/34/82/1001553482.db2.gz ZHXUFYDKOMKVRS-UHFFFAOYSA-N 0 1 404.377 3.678 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCC1 ZINC000498053622 1001623151 /nfs/dbraw/zinc/62/31/51/1001623151.db2.gz HULXPESFPMRRDS-KRWDZBQOSA-N 0 1 403.866 3.824 20 5 HHBDMN CCN1C[C@H](C)N(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498555424 1001971016 /nfs/dbraw/zinc/97/10/16/1001971016.db2.gz QBPAUJQNJSHLEC-IXDOHACOSA-N 0 1 411.506 3.718 20 5 HHBDMN CCN1C[C@H](C)N(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498555426 1001971294 /nfs/dbraw/zinc/97/12/94/1001971294.db2.gz QBPAUJQNJSHLEC-YESZJQIVSA-N 0 1 411.506 3.718 20 5 HHBDMN Cn1ccnc1C(=O)c1ccc(N[C@@H](CN2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000498805613 1002189978 /nfs/dbraw/zinc/18/99/78/1002189978.db2.gz OHFBVKXSIRAUJK-FQEVSTJZSA-N 0 1 419.485 3.808 20 5 HHBDMN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498904829 1002297858 /nfs/dbraw/zinc/29/78/58/1002297858.db2.gz URRNUNGPGBLGJD-LLVKDONJSA-N 0 1 409.368 3.629 20 5 HHBDMN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(CCCN2CCOCC2)CC1 ZINC000507840959 1002381740 /nfs/dbraw/zinc/38/17/40/1002381740.db2.gz MQGNNCCHYOUQOT-UHFFFAOYSA-N 0 1 417.531 3.774 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000507859986 1002396415 /nfs/dbraw/zinc/39/64/15/1002396415.db2.gz NMYUFKMBHVLZOY-UHFFFAOYSA-N 0 1 416.453 3.720 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCCc1cccc(C(F)(F)F)c1 ZINC000507877335 1002409403 /nfs/dbraw/zinc/40/94/03/1002409403.db2.gz BUQPMLIKCFQZNI-UHFFFAOYSA-N 0 1 406.357 3.664 20 5 HHBDMN C[C@H](NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000507950604 1002482811 /nfs/dbraw/zinc/48/28/11/1002482811.db2.gz ANGFNTZSLJALEZ-KSSFIOAISA-N 0 1 406.446 3.988 20 5 HHBDMN C[C@H](NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000507950604 1002482820 /nfs/dbraw/zinc/48/28/20/1002482820.db2.gz ANGFNTZSLJALEZ-KSSFIOAISA-N 0 1 406.446 3.988 20 5 HHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(CCc1ccccc1)Cc1ccncc1 ZINC000507975412 1002504921 /nfs/dbraw/zinc/50/49/21/1002504921.db2.gz JBBWJHRMVZBDLT-UHFFFAOYSA-N 0 1 401.426 3.751 20 5 HHBDMN COc1cc2nc(C)sc2cc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000499284203 1002695154 /nfs/dbraw/zinc/69/51/54/1002695154.db2.gz BISLPVNVVCPZKT-UHFFFAOYSA-N 0 1 407.473 3.506 20 5 HHBDMN COC(=O)COc1ccc(CN[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000500400234 1003693500 /nfs/dbraw/zinc/69/35/00/1003693500.db2.gz SHBDZVXHEDPMPI-RNODOKPDSA-N 0 1 404.850 3.825 20 5 HHBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000500441844 1003720682 /nfs/dbraw/zinc/72/06/82/1003720682.db2.gz ZEVMAUZBLSTSQQ-DLBZAZTESA-N 0 1 404.470 3.878 20 5 HHBDMN O=[N+]([O-])c1cc(CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)c2c(c1)COCO2 ZINC000500458021 1003729124 /nfs/dbraw/zinc/72/91/24/1003729124.db2.gz BNEXFIJVMCKWEW-HXUWFJFHSA-N 0 1 404.850 3.606 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511844599 1003822264 /nfs/dbraw/zinc/82/22/64/1003822264.db2.gz SZTXWFQQBFZLBM-INIZCTEOSA-N 0 1 407.392 3.926 20 5 HHBDMN CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000509566354 1003949323 /nfs/dbraw/zinc/94/93/23/1003949323.db2.gz FAIGCUUKWWBLEM-UHFFFAOYSA-N 0 1 419.793 3.594 20 5 HHBDMN CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000512067073 1003996523 /nfs/dbraw/zinc/99/65/23/1003996523.db2.gz KGBNMXXBDNVZIP-SFHVURJKSA-N 0 1 401.463 3.696 20 5 HHBDMN C[C@@H]1CN(C[C@H]2CCCN2Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000512070778 1003999729 /nfs/dbraw/zinc/99/97/29/1003999729.db2.gz HJYGHHIOVLFCEY-GQIGUUNPSA-N 0 1 416.547 3.792 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000512204763 1004106124 /nfs/dbraw/zinc/10/61/24/1004106124.db2.gz VLDJLFGYNRWAKY-QGZVFWFLSA-N 0 1 412.273 3.862 20 5 HHBDMN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000501367830 1004370965 /nfs/dbraw/zinc/37/09/65/1004370965.db2.gz VDKCCNDAHMKCQU-SNVBAGLBSA-N 0 1 415.247 3.821 20 5 HHBDMN Cc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OCC(F)(F)F)c1 ZINC000512837154 1004596808 /nfs/dbraw/zinc/59/68/08/1004596808.db2.gz GYCMZBFTMXZDRQ-UHFFFAOYSA-N 0 1 404.366 3.954 20 5 HHBDMN O=C(Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cccs1 ZINC000501833379 1004765381 /nfs/dbraw/zinc/76/53/81/1004765381.db2.gz XKJCXUUYFQSJJT-UHFFFAOYSA-N 0 1 403.441 3.709 20 5 HHBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Br)cc1 ZINC000501841010 1004770269 /nfs/dbraw/zinc/77/02/69/1004770269.db2.gz GTBFSOQILWQCCQ-JTQLQIEISA-N 0 1 416.235 3.885 20 5 HHBDMN CCOc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000513121102 1004817995 /nfs/dbraw/zinc/81/79/95/1004817995.db2.gz YLFPJOUWYKWCNE-CVEARBPZSA-N 0 1 415.490 3.700 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@@H]3c3n[nH]c(-c4ccccc4)n3)n2)cc1 ZINC000502156386 1004928573 /nfs/dbraw/zinc/92/85/73/1004928573.db2.gz PRXXKEIMVQSTAD-MRXNPFEDSA-N 0 1 403.402 3.771 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)n2)cc1 ZINC000502156386 1004928579 /nfs/dbraw/zinc/92/85/79/1004928579.db2.gz PRXXKEIMVQSTAD-MRXNPFEDSA-N 0 1 403.402 3.771 20 5 HHBDMN C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000513668474 1005075008 /nfs/dbraw/zinc/07/50/08/1005075008.db2.gz ZFASQQOMMZOZQW-NQSCKRDGSA-N 0 1 405.502 3.670 20 5 HHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513728689 1005099445 /nfs/dbraw/zinc/09/94/45/1005099445.db2.gz BLNNSHCYIBWSEV-UHFFFAOYSA-N 0 1 420.416 3.509 20 5 HHBDMN Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC000513944337 1005197700 /nfs/dbraw/zinc/19/77/00/1005197700.db2.gz MRXHGLCJTIGHOI-KDOFPFPSSA-N 0 1 412.494 3.625 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@](F)(c2ccccc2C)C1 ZINC000502875199 1005253723 /nfs/dbraw/zinc/25/37/23/1005253723.db2.gz BYLKHGDMNDOCJB-NRFANRHFSA-N 0 1 401.438 3.811 20 5 HHBDMN CC[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000514096822 1005263834 /nfs/dbraw/zinc/26/38/34/1005263834.db2.gz XYTPHRYFMWXXAX-GMAHTHKFSA-N 0 1 419.529 3.844 20 5 HHBDMN CCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502919881 1005274819 /nfs/dbraw/zinc/27/48/19/1005274819.db2.gz PMLCUXXJAHWHHP-KRWDZBQOSA-N 0 1 424.501 3.613 20 5 HHBDMN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(OC[C@@H]2CCCO2)c1 ZINC000511722363 1005292471 /nfs/dbraw/zinc/29/24/71/1005292471.db2.gz LSDCPAUVHVNHJX-KRWDZBQOSA-N 0 1 420.487 3.879 20 5 HHBDMN COc1ccc(CCCN(C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000511725835 1005293922 /nfs/dbraw/zinc/29/39/22/1005293922.db2.gz WZBBVSISMZWSOF-OAHLLOKOSA-N 0 1 401.463 3.504 20 5 HHBDMN O=C(CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000511778316 1005322558 /nfs/dbraw/zinc/32/25/58/1005322558.db2.gz ZIHKJYOMCLRIFG-AOIWGVFYSA-N 0 1 415.877 3.691 20 5 HHBDMN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000503735858 1005487258 /nfs/dbraw/zinc/48/72/58/1005487258.db2.gz AXOQCLGTZXLHCI-QGZVFWFLSA-N 0 1 407.430 3.513 20 5 HHBDMN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000503735858 1005487260 /nfs/dbraw/zinc/48/72/60/1005487260.db2.gz AXOQCLGTZXLHCI-QGZVFWFLSA-N 0 1 407.430 3.513 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000504007742 1005531316 /nfs/dbraw/zinc/53/13/16/1005531316.db2.gz NZYVQNPWLKVORO-UHFFFAOYSA-N 0 1 421.381 3.539 20 5 HHBDMN CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000504245809 1005581230 /nfs/dbraw/zinc/58/12/30/1005581230.db2.gz JOMWGBDVSMFSKG-AWEZNQCLSA-N 0 1 401.467 3.711 20 5 HHBDMN CN1CC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@@H]1c1ccccc1 ZINC000534019283 1005989991 /nfs/dbraw/zinc/98/99/91/1005989991.db2.gz OTBUIJORZNSPBI-OFVILXPXSA-N 0 1 411.505 3.716 20 5 HHBDMN CN(C)[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000531306499 1006107144 /nfs/dbraw/zinc/10/71/44/1006107144.db2.gz OHHDFCOFAFEBMC-IBGZPJMESA-N 0 1 400.866 3.622 20 5 HHBDMN CCc1nc([C@@H](C)NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)n[nH]1 ZINC000534241669 1006248382 /nfs/dbraw/zinc/24/83/82/1006248382.db2.gz NJXTYCCEDWQPGE-CQSZACIVSA-N 0 1 411.462 3.714 20 5 HHBDMN C[C@@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000515523346 1006513279 /nfs/dbraw/zinc/51/32/79/1006513279.db2.gz STUVMDXJEWRFNT-UONOGXRCSA-N 0 1 411.462 3.557 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H]3Cn3cnc4ccccc43)o2)cc1 ZINC000534579196 1006566999 /nfs/dbraw/zinc/56/69/99/1006566999.db2.gz GGEDQFOTJDHMGX-KRWDZBQOSA-N 0 1 404.430 3.659 20 5 HHBDMN C[C@H]1CCC[C@H]1CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000534628842 1006611077 /nfs/dbraw/zinc/61/10/77/1006611077.db2.gz TUXSTZRJTQKLNG-HOCLYGCPSA-N 0 1 417.487 3.562 20 5 HHBDMN Cc1cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])nn1-c1cc(C)cc(C)c1 ZINC000538496908 1006764708 /nfs/dbraw/zinc/76/47/08/1006764708.db2.gz NMYRUZBXZYUBOS-UHFFFAOYSA-N 0 1 414.487 3.690 20 5 HHBDMN O=C([C@H]1CCCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N1CCOCC1 ZINC000538739429 1007022207 /nfs/dbraw/zinc/02/22/07/1007022207.db2.gz GMSZUBFTHKZXCZ-LJQANCHMSA-N 0 1 415.515 3.537 20 5 HHBDMN CN1CC[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000534972039 1007029095 /nfs/dbraw/zinc/02/90/95/1007029095.db2.gz QJEHQWAJXNELSM-FZKQIMNGSA-N 0 1 406.845 3.591 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCSC[C@H]2CCO)cc1 ZINC000538812110 1007091756 /nfs/dbraw/zinc/09/17/56/1007091756.db2.gz XUKRKWWTTUNXIB-OAQYLSRUSA-N 0 1 424.526 3.747 20 5 HHBDMN CN1CCN(C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)c2ccccc2)CC1 ZINC000538870294 1007148813 /nfs/dbraw/zinc/14/88/13/1007148813.db2.gz URETXTPWMKBUSC-QGZVFWFLSA-N 0 1 406.433 3.597 20 5 HHBDMN CC(C)n1cnnc1[C@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000535271306 1007321629 /nfs/dbraw/zinc/32/16/29/1007321629.db2.gz QEZYNJWJCUVFOE-ZBFHGGJFSA-N 0 1 411.466 3.758 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(c2nc(C)cs2)CCCC1 ZINC000533065021 1007428195 /nfs/dbraw/zinc/42/81/95/1007428195.db2.gz UPCHZISRPAKFDO-UHFFFAOYSA-N 0 1 404.492 3.756 20 5 HHBDMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000539243671 1007537996 /nfs/dbraw/zinc/53/79/96/1007537996.db2.gz POOUHKJOUPAVBE-MRXNPFEDSA-N 0 1 405.520 3.785 20 5 HHBDMN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccn2)c1 ZINC000539256620 1007550860 /nfs/dbraw/zinc/55/08/60/1007550860.db2.gz FMBKACUEUFCWTP-KRWDZBQOSA-N 0 1 420.469 3.882 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OC ZINC000539268960 1007564358 /nfs/dbraw/zinc/56/43/58/1007564358.db2.gz OBKBUYRKYPLPEB-ZIAGYGMSSA-N 0 1 417.462 3.689 20 5 HHBDMN Cc1ccc(C(=O)C2CCN(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000533246368 1007565446 /nfs/dbraw/zinc/56/54/46/1007565446.db2.gz ZOXWHHVVWMKKBB-UHFFFAOYSA-N 0 1 423.469 3.796 20 5 HHBDMN CC1(C)CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN1Cc1ccccc1 ZINC000533288120 1007599975 /nfs/dbraw/zinc/59/99/75/1007599975.db2.gz PYVGPAZTSFQHPP-UHFFFAOYSA-N 0 1 407.474 3.741 20 5 HHBDMN COCCSc1ccc([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000539307269 1007605263 /nfs/dbraw/zinc/60/52/63/1007605263.db2.gz RQEKYMHAHRNNAQ-HNNXBMFYSA-N 0 1 403.504 3.647 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000533301919 1007619386 /nfs/dbraw/zinc/61/93/86/1007619386.db2.gz QTGNDUYKRFBGPG-GOEBONIOSA-N 0 1 401.438 3.634 20 5 HHBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000533636388 1007943078 /nfs/dbraw/zinc/94/30/78/1007943078.db2.gz MLIZLXQLSXNXNY-BXKDBHETSA-N 0 1 417.270 3.745 20 5 HHBDMN Cc1ccc(NC(=O)c2ccc(N3CCC(c4n[nH]c(=O)o4)CC3)c([N+](=O)[O-])c2)cc1 ZINC000518023398 1008109592 /nfs/dbraw/zinc/10/95/92/1008109592.db2.gz QWAUBGKMLXTICL-UHFFFAOYSA-N 0 1 423.429 3.628 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3c2CN(c2ccccn2)C3)c1C ZINC000533788542 1008111688 /nfs/dbraw/zinc/11/16/88/1008111688.db2.gz PZCBCRRVYHEGDD-UHFFFAOYSA-N 0 1 424.482 3.928 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000539856664 1008144022 /nfs/dbraw/zinc/14/40/22/1008144022.db2.gz YECQWHKKYUCPNQ-UHFFFAOYSA-N 0 1 422.793 3.797 20 5 HHBDMN COc1ccc([C@H](CN2CCCC2)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000539932075 1008190868 /nfs/dbraw/zinc/19/08/68/1008190868.db2.gz QXTCUVZCUCUXCD-SFHVURJKSA-N 0 1 403.866 3.824 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000540143675 1008310488 /nfs/dbraw/zinc/31/04/88/1008310488.db2.gz HCHCNKYZBRNGAF-VVUGWJFESA-N 0 1 419.428 3.894 20 5 HHBDMN O=C(Nc1nnc(C2CCOCC2)s1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000518599950 1008360960 /nfs/dbraw/zinc/36/09/60/1008360960.db2.gz YESLJQIUUCAIRY-UHFFFAOYSA-N 0 1 402.354 3.611 20 5 HHBDMN COc1cc(S(=O)(=O)[N-]c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000540332443 1008384013 /nfs/dbraw/zinc/38/40/13/1008384013.db2.gz BJULQLZPJNMAIK-HNNXBMFYSA-N 0 1 419.503 3.636 20 5 HHBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000518833129 1008437817 /nfs/dbraw/zinc/43/78/17/1008437817.db2.gz ZOXDDCVVNIXGEX-YVEFUNNKSA-N 0 1 409.845 3.574 20 5 HHBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000518876726 1008456047 /nfs/dbraw/zinc/45/60/47/1008456047.db2.gz ZGCLPWRJFQDYTG-BBRMVZONSA-N 0 1 407.854 3.562 20 5 HHBDMN O=C1CCCN1C[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000519748913 1008993471 /nfs/dbraw/zinc/99/34/71/1008993471.db2.gz RJAYSJJNPVIWND-KRWDZBQOSA-N 0 1 423.391 3.773 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000519890512 1009056718 /nfs/dbraw/zinc/05/67/18/1009056718.db2.gz DEHIDWXQAAQKQF-UHFFFAOYSA-N 0 1 416.430 3.791 20 5 HHBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000546039037 1009064040 /nfs/dbraw/zinc/06/40/40/1009064040.db2.gz XHUWJHZRQIJRLG-UHFFFAOYSA-N 0 1 410.340 3.646 20 5 HHBDMN COc1ccc2oc([C@H](C)NCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)c(C)c2c1 ZINC000543509575 1009098532 /nfs/dbraw/zinc/09/85/32/1009098532.db2.gz MMHDNBKNDYTELD-AWEZNQCLSA-N 0 1 409.442 3.898 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2nnc(N3CCN(C4CCC4)CC3)n2Cc2cccs2)c1 ZINC000549576362 1009200654 /nfs/dbraw/zinc/20/06/54/1009200654.db2.gz YFAXELILFLNHOZ-UHFFFAOYSA-N 0 1 424.530 3.638 20 5 HHBDMN Cc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)N2CCCC2)o1 ZINC000546584119 1009609004 /nfs/dbraw/zinc/60/90/04/1009609004.db2.gz NRTWNMIEFAUTER-GOSISDBHSA-N 0 1 403.454 3.866 20 5 HHBDMN O=C(NCc1cccc(OCc2ccccc2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000550255563 1009810313 /nfs/dbraw/zinc/81/03/13/1009810313.db2.gz XLLZKAPTNIKLDN-UHFFFAOYSA-N 0 1 402.410 3.980 20 5 HHBDMN COc1ccc(CN[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000550291357 1009837478 /nfs/dbraw/zinc/83/74/78/1009837478.db2.gz BOVOQHCHKGHGBV-KBXCAEBGSA-N 0 1 401.438 3.584 20 5 HHBDMN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cc(OC)no1 ZINC000544361251 1009988561 /nfs/dbraw/zinc/98/85/61/1009988561.db2.gz ZSVZBHLCCYTUAD-UHFFFAOYSA-N 0 1 417.399 3.749 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000544527999 1010156846 /nfs/dbraw/zinc/15/68/46/1010156846.db2.gz CGUQLPCJYPCXBS-FXAWDEMLSA-N 0 1 401.438 3.833 20 5 HHBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)c1 ZINC000521277201 1010271926 /nfs/dbraw/zinc/27/19/26/1010271926.db2.gz NABGATADIWEWCQ-UHFFFAOYSA-N 0 1 424.232 3.813 20 5 HHBDMN COc1ccc(-c2cc(-c3nc(Cc4ccccc4[N+](=O)[O-])no3)[nH]n2)cc1OC ZINC000544913512 1010487476 /nfs/dbraw/zinc/48/74/76/1010487476.db2.gz GPTXWUQMGJYVBY-UHFFFAOYSA-N 0 1 407.386 3.643 20 5 HHBDMN CC(C)OC[C@@H](CO)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000521687195 1010551254 /nfs/dbraw/zinc/55/12/54/1010551254.db2.gz NAXKBTTZDGWPMU-JOCHJYFZSA-N 0 1 424.501 3.665 20 5 HHBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000521858022 1010666802 /nfs/dbraw/zinc/66/68/02/1010666802.db2.gz PJSFAYMJHMOSCI-LJQANCHMSA-N 0 1 402.882 3.857 20 5 HHBDMN CNc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c(O)c2)cc1[N+](=O)[O-] ZINC000548705304 1010709587 /nfs/dbraw/zinc/70/95/87/1010709587.db2.gz LPOGXJUMHCXCNL-UHFFFAOYSA-N 0 1 412.446 3.657 20 5 HHBDMN CN(C)[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000522583764 1011093157 /nfs/dbraw/zinc/09/31/57/1011093157.db2.gz UIBYYCRFGPCURS-KRWDZBQOSA-N 0 1 409.845 3.575 20 5 HHBDMN CNc1ccc(C(=O)Nc2ccc(CN3CCSCC3)cc2C)cc1[N+](=O)[O-] ZINC000523342030 1011821336 /nfs/dbraw/zinc/82/13/36/1011821336.db2.gz MMTLTMBEEGSCCL-UHFFFAOYSA-N 0 1 400.504 3.746 20 5 HHBDMN CC(C)N1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1=O ZINC000523390962 1011869344 /nfs/dbraw/zinc/86/93/44/1011869344.db2.gz NYLFSCFKZMZZMD-LBPRGKRZSA-N 0 1 422.279 3.716 20 5 HHBDMN COc1ccc(CN(Cc2c([N+](=O)[O-])ncn2C)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000536743470 1011926326 /nfs/dbraw/zinc/92/63/26/1011926326.db2.gz DNTFSAOVXGWWOQ-NVXWUHKLSA-N 0 1 402.495 3.926 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@H](CC)CS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000536825985 1012054946 /nfs/dbraw/zinc/05/49/46/1012054946.db2.gz KKDFHNGENWBBRE-NVXWUHKLSA-N 0 1 406.504 3.897 20 5 HHBDMN Cc1c([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)nnn1-c1ccc(Cl)cc1 ZINC000536860129 1012094517 /nfs/dbraw/zinc/09/45/17/1012094517.db2.gz WRDLYSSXCQIQQU-CYBMUJFWSA-N 0 1 401.854 3.867 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000536867728 1012106978 /nfs/dbraw/zinc/10/69/78/1012106978.db2.gz FNRJNTWIFOEXSL-YGWPLHOASA-N 0 1 409.486 3.801 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000541776545 1012644041 /nfs/dbraw/zinc/64/40/41/1012644041.db2.gz XZSNXYSRNPXMGF-KRWDZBQOSA-N 0 1 409.364 3.697 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000541813927 1012700598 /nfs/dbraw/zinc/70/05/98/1012700598.db2.gz NBOPLARJCAOIOA-HNAYVOBHSA-N 0 1 423.560 3.635 20 5 HHBDMN CN(CCCN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccco1 ZINC000552751924 1012758034 /nfs/dbraw/zinc/75/80/34/1012758034.db2.gz LEAJPAHWYVXXTH-UHFFFAOYSA-N 0 1 414.487 3.905 20 5 HHBDMN CC1CCN([C@@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)c2cccs2)CC1 ZINC000552911121 1012911274 /nfs/dbraw/zinc/91/12/74/1012911274.db2.gz LRWZAEXMOSDKKF-KRWDZBQOSA-N 0 1 413.503 4.190 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)N1CCCC1 ZINC000542033927 1012931734 /nfs/dbraw/zinc/93/17/34/1012931734.db2.gz UFMQBCCLQFFNSN-SFHVURJKSA-N 0 1 414.462 3.571 20 5 HHBDMN CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000488204548 1072123378 /nfs/dbraw/zinc/12/33/78/1072123378.db2.gz RRAAHRAWCSRSPU-HNNXBMFYSA-N 0 1 411.930 3.876 20 5 HHBDMN CCCC[N@H+](C)CCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000488210891 1072138461 /nfs/dbraw/zinc/13/84/61/1072138461.db2.gz SZWJLBJHFXJRLC-UHFFFAOYSA-N 0 1 406.508 3.539 20 5 HHBDMN CCCC[N@@H+](C)CCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000488210891 1072138463 /nfs/dbraw/zinc/13/84/63/1072138463.db2.gz SZWJLBJHFXJRLC-UHFFFAOYSA-N 0 1 406.508 3.539 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccccc2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000488244184 1072160074 /nfs/dbraw/zinc/16/00/74/1072160074.db2.gz BZHHJNWSXQZVTQ-UHFFFAOYSA-N 0 1 408.329 3.648 20 5 HHBDMN Cn1nc(-c2ccc(Cl)s2)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000783875766 1072573969 /nfs/dbraw/zinc/57/39/69/1072573969.db2.gz FSAZQVLGRJLABM-UHFFFAOYSA-N 0 1 404.882 3.573 20 5 HHBDMN CN(CCCN(C)C(=O)c1ccc(Br)cc1[N+](=O)[O-])Cc1ccco1 ZINC000588091520 1072792882 /nfs/dbraw/zinc/79/28/82/1072792882.db2.gz DICLESQJYQVGGK-UHFFFAOYSA-N 0 1 410.268 3.544 20 5 HHBDMN Cc1nc2cccc(C(=O)N[C@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])c2[nH]1 ZINC000554989696 1073032218 /nfs/dbraw/zinc/03/22/18/1073032218.db2.gz SOTYLDXLUDBNHG-QGZVFWFLSA-N 0 1 410.430 3.592 20 5 HHBDMN O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000555422914 1073447211 /nfs/dbraw/zinc/44/72/11/1073447211.db2.gz NPTIOPJZONSROB-HNNXBMFYSA-N 0 1 413.478 3.532 20 5 HHBDMN O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000555422914 1073447215 /nfs/dbraw/zinc/44/72/15/1073447215.db2.gz NPTIOPJZONSROB-HNNXBMFYSA-N 0 1 413.478 3.532 20 5 HHBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@@H]1Cc1ccccc1Br ZINC000555773456 1073814944 /nfs/dbraw/zinc/81/49/44/1073814944.db2.gz OZQVKEQXJIUOHM-MRXNPFEDSA-N 0 1 420.307 3.616 20 5 HHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000555842674 1073882428 /nfs/dbraw/zinc/88/24/28/1073882428.db2.gz RLCCQOBQDZICMT-OAHLLOKOSA-N 0 1 418.291 3.670 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2nc(-c3ccc4ccccc4n3)n[nH]2)c1 ZINC000590556412 1073892276 /nfs/dbraw/zinc/89/22/76/1073892276.db2.gz JVCFCTIIOOAJJM-UHFFFAOYSA-N 0 1 418.413 3.644 20 5 HHBDMN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000899889282 1073940519 /nfs/dbraw/zinc/94/05/19/1073940519.db2.gz ZHGMBALKFVBJJK-FQEVSTJZSA-N 0 1 422.529 3.835 20 5 HHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1 ZINC000590762627 1073994446 /nfs/dbraw/zinc/99/44/46/1073994446.db2.gz YGIWJGQYVXZBSJ-UHFFFAOYSA-N 0 1 404.473 3.606 20 5 HHBDMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001165022518 721838987 /nfs/dbraw/zinc/83/89/87/721838987.db2.gz UPONLJAAXVIQNZ-UHFFFAOYSA-N 0 1 420.897 3.761 20 5 HHBDMN Cc1ccc(CN2CCOC3(CCN(c4nccc(Cl)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164938223 721921039 /nfs/dbraw/zinc/92/10/39/721921039.db2.gz JTRHMYQHXHNUIV-UHFFFAOYSA-N 0 1 416.909 3.823 20 5 HHBDMN CCN1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cn2)CC1 ZINC000301423668 970920640 /nfs/dbraw/zinc/92/06/40/970920640.db2.gz ARWVONAOAXZSAS-UHFFFAOYSA-N 0 1 409.412 3.763 20 5 HHBDMN CC1CCN(Cc2ccccc2CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000301887118 971099618 /nfs/dbraw/zinc/09/96/18/971099618.db2.gz MNTNZMMXTOJQBH-UHFFFAOYSA-N 0 1 417.531 3.842 20 5 HHBDMN C[C@@H]1CCCCN1Cc1ccccc1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301900111 971105944 /nfs/dbraw/zinc/10/59/44/971105944.db2.gz UKDBKMYWGSQYSW-MRXNPFEDSA-N 0 1 417.531 3.985 20 5 HHBDMN CC(C)NC(=O)c1ccc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000301975604 971139047 /nfs/dbraw/zinc/13/90/47/971139047.db2.gz VVCGPZODLGDYTE-GOSISDBHSA-N 0 1 420.473 3.860 20 5 HHBDMN CC(C)NC(=O)c1ccc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000301975604 971139054 /nfs/dbraw/zinc/13/90/54/971139054.db2.gz VVCGPZODLGDYTE-GOSISDBHSA-N 0 1 420.473 3.860 20 5 HHBDMN CCc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000537549843 1013070371 /nfs/dbraw/zinc/07/03/71/1013070371.db2.gz GXECFKFWVALURO-SFHVURJKSA-N 0 1 405.458 3.962 20 5 HHBDMN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000537549845 1013071099 /nfs/dbraw/zinc/07/10/99/1013071099.db2.gz HEPGSYHUEAWDJO-INIZCTEOSA-N 0 1 416.441 3.881 20 5 HHBDMN Cc1ccc(CN(CCN(C)C)C(=O)Cn2c3ccccc3c(=O)c3ccccc32)o1 ZINC000302973665 971429327 /nfs/dbraw/zinc/42/93/27/971429327.db2.gz IYUBCRNMVXMTED-UHFFFAOYSA-N 0 1 417.509 3.647 20 5 HHBDMN CN(CC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000537559332 1013084990 /nfs/dbraw/zinc/08/49/90/1013084990.db2.gz ZCIMZNQCUVDPCC-UHFFFAOYSA-N 0 1 402.414 3.608 20 5 HHBDMN O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000303334809 971638515 /nfs/dbraw/zinc/63/85/15/971638515.db2.gz KJNFXBLVKIYHKJ-UHFFFAOYSA-N 0 1 412.409 3.944 20 5 HHBDMN C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N(C)Cc1ccccc1 ZINC000303530651 971831537 /nfs/dbraw/zinc/83/15/37/971831537.db2.gz WOKWFKGGVKJZND-LJQANCHMSA-N 0 1 413.521 3.791 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC000553179704 1013138685 /nfs/dbraw/zinc/13/86/85/1013138685.db2.gz IUGFYAIHUZWTIV-HNNXBMFYSA-N 0 1 415.471 3.999 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1cccc(Br)c1 ZINC000542210114 1013156153 /nfs/dbraw/zinc/15/61/53/1013156153.db2.gz NFIOSAZTJYGCBS-IAGOWNOFSA-N 0 1 421.291 3.934 20 5 HHBDMN Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000537633693 1013188668 /nfs/dbraw/zinc/18/86/68/1013188668.db2.gz TXKUCOJHKARZAE-QGZVFWFLSA-N 0 1 412.881 3.824 20 5 HHBDMN CCCCOc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000537635809 1013190863 /nfs/dbraw/zinc/19/08/63/1013190863.db2.gz XZWYUUYQTPIYBV-KRWDZBQOSA-N 0 1 400.479 3.864 20 5 HHBDMN C[C@H](Sc1nc(-c2cc(F)cc(F)c2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000303907488 972478025 /nfs/dbraw/zinc/47/80/25/972478025.db2.gz MFBVZSCJKIYZOC-VIFPVBQESA-N 0 1 405.386 3.777 20 5 HHBDMN Cc1ccc(S(=O)(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000542237996 1013196741 /nfs/dbraw/zinc/19/67/41/1013196741.db2.gz JFBIZRKWGHNZNI-CQSZACIVSA-N 0 1 410.320 3.763 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)N1CCCC1 ZINC000010137007 961750093 /nfs/dbraw/zinc/75/00/93/961750093.db2.gz AIJHLQPROQORQU-GOSISDBHSA-N 0 1 415.515 3.892 20 5 HHBDMN CCOc1ccc(NC(=O)CSc2n[nH]c(CCC3CCCC3)n2)c([N+](=O)[O-])c1 ZINC000012104492 962239509 /nfs/dbraw/zinc/23/95/09/962239509.db2.gz UDAJWPKGHXWIQR-UHFFFAOYSA-N 0 1 419.507 3.965 20 5 HHBDMN CCOc1ccc(NC(=O)CSc2nc(CCC3CCCC3)n[nH]2)c([N+](=O)[O-])c1 ZINC000012104492 962239516 /nfs/dbraw/zinc/23/95/16/962239516.db2.gz UDAJWPKGHXWIQR-UHFFFAOYSA-N 0 1 419.507 3.965 20 5 HHBDMN Cc1ccc2nc(NC(=O)c3cc(I)cc([N+](=O)[O-])c3)[nH]c2c1 ZINC000553486814 1013392294 /nfs/dbraw/zinc/39/22/94/1013392294.db2.gz OYEKOUJMQSNRFC-UHFFFAOYSA-N 0 1 422.182 3.636 20 5 HHBDMN Cc1ccc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000542475635 1013423129 /nfs/dbraw/zinc/42/31/29/1013423129.db2.gz CHZXNQMWJKHSIN-HNNXBMFYSA-N 0 1 405.336 3.560 20 5 HHBDMN C[C@@H]1CCCN(c2ccc(C(=O)NC[C@H](c3ccsc3)N(C)C)cc2[N+](=O)[O-])C1 ZINC000025330353 964243120 /nfs/dbraw/zinc/24/31/20/964243120.db2.gz DHBMOUCDJAATRE-FOIQADDNSA-N 0 1 416.547 3.925 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)NCC(C)C)cc1C ZINC000050533915 964348261 /nfs/dbraw/zinc/34/82/61/964348261.db2.gz WVENZMMPJAIYBH-UHFFFAOYSA-N 0 1 419.503 3.652 20 5 HHBDMN CCOc1ccc2nc(SCCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])[nH]c2c1 ZINC000026358458 964538056 /nfs/dbraw/zinc/53/80/56/964538056.db2.gz VHVAKIWLMYNDQL-UHFFFAOYSA-N 0 1 416.459 3.999 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])N1CCCC1 ZINC000027572036 964920572 /nfs/dbraw/zinc/92/05/72/964920572.db2.gz CRFWNKYNXABJDA-LJQANCHMSA-N 0 1 415.515 3.892 20 5 HHBDMN CCN(CC)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000027578768 964923444 /nfs/dbraw/zinc/92/34/44/964923444.db2.gz RSGYBCVBVMQHOL-GOSISDBHSA-N 0 1 405.882 3.826 20 5 HHBDMN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@@H](c2cccs2)N(C)C)CC1 ZINC000027675888 964941994 /nfs/dbraw/zinc/94/19/94/964941994.db2.gz YHUHXKIFFSPSIB-IBGZPJMESA-N 0 1 416.547 3.925 20 5 HHBDMN CC(C)CN1CCN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000052960283 965031424 /nfs/dbraw/zinc/03/14/24/965031424.db2.gz NFQZMJBOXJJSGQ-QGZVFWFLSA-N 0 1 411.506 3.577 20 5 HHBDMN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000057157169 965316439 /nfs/dbraw/zinc/31/64/39/965316439.db2.gz QBLJDEFBGIDSTF-UHFFFAOYSA-N 0 1 405.476 3.622 20 5 HHBDMN CN1CCN(Cc2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2)CC1 ZINC000057273892 965380192 /nfs/dbraw/zinc/38/01/92/965380192.db2.gz IAFRFGWBNHMIBH-UHFFFAOYSA-N 0 1 410.499 3.809 20 5 HHBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553723748 1013571861 /nfs/dbraw/zinc/57/18/61/1013571861.db2.gz YFNBFBRCQQRHJB-APPDUMDISA-N 0 1 410.348 3.921 20 5 HHBDMN CCC1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000054611759 965582693 /nfs/dbraw/zinc/58/26/93/965582693.db2.gz PKJCFZVRXUWZTB-UHFFFAOYSA-N 0 1 417.487 3.658 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1C ZINC000055632396 965976922 /nfs/dbraw/zinc/97/69/22/965976922.db2.gz NWJUYNCUSZCSKZ-UHFFFAOYSA-N 0 1 405.476 3.541 20 5 HHBDMN O=C(Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)N1CCCCCC1 ZINC000060274819 966083153 /nfs/dbraw/zinc/08/31/53/966083153.db2.gz ONDMGELRDRAAFG-UHFFFAOYSA-N 0 1 418.475 3.804 20 5 HHBDMN CC(C)(C)CCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000031759174 966112739 /nfs/dbraw/zinc/11/27/39/966112739.db2.gz CRMDCJJAMIRLMF-UHFFFAOYSA-N 0 1 405.476 3.562 20 5 HHBDMN COc1ccc(-c2n[nH]c(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)n2)cc1 ZINC000031844093 966140669 /nfs/dbraw/zinc/14/06/69/966140669.db2.gz XXCCVBPKFJWENT-UHFFFAOYSA-N 0 1 410.415 3.731 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000032595621 966290814 /nfs/dbraw/zinc/29/08/14/966290814.db2.gz LLLRIILSBALQGA-UHFFFAOYSA-N 0 1 408.766 3.659 20 5 HHBDMN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000033181208 966386827 /nfs/dbraw/zinc/38/68/27/966386827.db2.gz CPOWYGPSZILNCV-RHSMWYFYSA-N 0 1 417.487 3.704 20 5 HHBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CCSCC3)c2C)c1 ZINC000061307238 966426596 /nfs/dbraw/zinc/42/65/96/966426596.db2.gz NQHXVPZDFIQEQC-UHFFFAOYSA-N 0 1 401.488 3.713 20 5 HHBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000061307477 966427763 /nfs/dbraw/zinc/42/77/63/966427763.db2.gz PUOXDFPTLITQCN-UHFFFAOYSA-N 0 1 415.515 3.860 20 5 HHBDMN Cc1cccc(N2CCN(CCCNC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000043147677 966918083 /nfs/dbraw/zinc/91/80/83/966918083.db2.gz KXOVHVVKAXWFKB-UHFFFAOYSA-N 0 1 411.506 3.545 20 5 HHBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000538126313 1013688136 /nfs/dbraw/zinc/68/81/36/1013688136.db2.gz ZVAAQYPHLPJNSU-MRXNPFEDSA-N 0 1 406.442 3.858 20 5 HHBDMN O=C(c1cccc(Cl)c1)N1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000064482182 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RPZLKXQIOUMWFA-UHFFFAOYSA-N 0 1 403.504 3.548 20 5 HHBDMN CN(CCc1cccc(Br)c1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000462838702 985761122 /nfs/dbraw/zinc/76/11/22/985761122.db2.gz ZEIWZMBGOZCJCO-UHFFFAOYSA-N 0 1 403.236 3.548 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)cc1SC ZINC000468207307 985899170 /nfs/dbraw/zinc/89/91/70/985899170.db2.gz USDOMABXFZYKPQ-UHFFFAOYSA-N 0 1 403.395 3.502 20 5 HHBDMN Cc1noc(C)c1[C@H](C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000443745076 985959563 /nfs/dbraw/zinc/95/95/63/985959563.db2.gz IPGGOSXRTANORH-SSDOTTSWSA-N 0 1 408.263 3.588 20 5 HHBDMN COc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000443917294 986120070 /nfs/dbraw/zinc/12/00/70/986120070.db2.gz CKSLYIUWXPBIGK-UHFFFAOYSA-N 0 1 403.866 3.651 20 5 HHBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444126175 986320714 /nfs/dbraw/zinc/32/07/14/986320714.db2.gz ZSWPBVHWSROKPN-UHFFFAOYSA-N 0 1 418.403 3.808 20 5 HHBDMN Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463514125 986490448 /nfs/dbraw/zinc/49/04/48/986490448.db2.gz QCFQWWKUUAMKRT-UHFFFAOYSA-N 0 1 412.471 3.852 20 5 HHBDMN Cc1cnn(Cc2ccccc2F)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000468971205 986676250 /nfs/dbraw/zinc/67/62/50/986676250.db2.gz OJCGAFHZFSXGRS-UHFFFAOYSA-N 0 1 424.841 3.741 20 5 HHBDMN COC(=O)C[C@@]1(NCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CCOC1 ZINC000463704209 986689640 /nfs/dbraw/zinc/68/96/40/986689640.db2.gz GWYGXXVXQCLDIW-NRFANRHFSA-N 0 1 416.499 3.866 20 5 HHBDMN Cc1cccc2nc(C3CCN(C(=O)c4[nH]nc5ccc([N+](=O)[O-])cc54)CC3)oc21 ZINC000444560781 986754684 /nfs/dbraw/zinc/75/46/84/986754684.db2.gz FSWKAVWQWLLXBG-UHFFFAOYSA-N 0 1 405.414 3.941 20 5 HHBDMN CC1(C)CCCN(CCNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000444631088 986816844 /nfs/dbraw/zinc/81/68/44/986816844.db2.gz SDYCLULFJQFJIX-UHFFFAOYSA-N 0 1 413.468 3.811 20 5 HHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 ZINC000444759059 986921061 /nfs/dbraw/zinc/92/10/61/986921061.db2.gz PFMSGEYQOIILEZ-VIFPVBQESA-N 0 1 414.281 3.717 20 5 HHBDMN COC(=O)c1cccc2nc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)[nH]c21 ZINC000444961363 987096202 /nfs/dbraw/zinc/09/62/02/987096202.db2.gz AZIKQOSRDQYBFC-UHFFFAOYSA-N 0 1 412.405 3.597 20 5 HHBDMN COc1ccc([C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000445646808 987720874 /nfs/dbraw/zinc/72/08/74/987720874.db2.gz GMFPIFBIYBPNCS-QFIPXVFZSA-N 0 1 411.502 3.879 20 5 HHBDMN COc1cc(Cc2noc(-c3cc(-c4ccc(C)o4)n[nH]3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445821090 987886918 /nfs/dbraw/zinc/88/69/18/987886918.db2.gz KBBLGERIAOILEO-UHFFFAOYSA-N 0 1 411.374 3.544 20 5 HHBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470116757 988018831 /nfs/dbraw/zinc/01/88/31/988018831.db2.gz WBEWWCKFXNWKNO-UHFFFAOYSA-N 0 1 417.441 3.528 20 5 HHBDMN CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000463910395 988019396 /nfs/dbraw/zinc/01/93/96/988019396.db2.gz MAJXGHRMCRRFKK-HUUCEWRRSA-N 0 1 419.503 3.950 20 5 HHBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000470129111 988032562 /nfs/dbraw/zinc/03/25/62/988032562.db2.gz SQOOXXBDGHYNPJ-UHFFFAOYSA-N 0 1 410.409 3.931 20 5 HHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000470347693 988313952 /nfs/dbraw/zinc/31/39/52/988313952.db2.gz XCYQWKDNXNACLR-UHFFFAOYSA-N 0 1 409.284 3.579 20 5 HHBDMN CNc1c(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cccc1[N+](=O)[O-] ZINC000470597603 988613014 /nfs/dbraw/zinc/61/30/14/988613014.db2.gz FMXKRGZVAHLJRR-MRXNPFEDSA-N 0 1 410.396 3.688 20 5 HHBDMN CCc1ccc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cc1[N+](=O)[O-] ZINC000471985649 990152979 /nfs/dbraw/zinc/15/29/79/990152979.db2.gz STMVDGDISMUHLW-UHFFFAOYSA-N 0 1 405.458 3.962 20 5 HHBDMN COc1cc(CNc2cccc(-c3ccc4c(c3)OCCO4)n2)cc([N+](=O)[O-])c1O ZINC000466627400 991942119 /nfs/dbraw/zinc/94/21/19/991942119.db2.gz TVJMVLMJVZGYPM-UHFFFAOYSA-N 0 1 409.398 3.754 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(CCCc3nc(-c4cccs4)no3)CC2)c1 ZINC000467735697 992986291 /nfs/dbraw/zinc/98/62/91/992986291.db2.gz OXXXSVJHSYBSEZ-UHFFFAOYSA-N 0 1 413.503 3.770 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCC(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000467849586 993081741 /nfs/dbraw/zinc/08/17/41/993081741.db2.gz HFQIZRCAFKLHJY-UHFFFAOYSA-N 0 1 407.268 3.663 20 5 HHBDMN Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000480732865 993598370 /nfs/dbraw/zinc/59/83/70/993598370.db2.gz SMVSXUPZRYJPOH-PKOBYXMFSA-N 0 1 417.531 3.543 20 5 HHBDMN Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000481063900 993904870 /nfs/dbraw/zinc/90/48/70/993904870.db2.gz YURFZUAAWPSACQ-YJBOKZPZSA-N 0 1 423.560 3.635 20 5 HHBDMN C[C@@H](c1nc2ccccc2o1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481183646 994014549 /nfs/dbraw/zinc/01/45/49/994014549.db2.gz RIEYTXVBGSFILQ-AWEZNQCLSA-N 0 1 406.446 3.886 20 5 HHBDMN C[C@H](NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000481312293 994129885 /nfs/dbraw/zinc/12/98/85/994129885.db2.gz WZJLXGKTTUNMAR-SJORKVTESA-N 0 1 417.531 3.866 20 5 HHBDMN Cc1nn(Cc2ccc(C(=O)Nc3cc4cn[nH]c4cc3C)cc2)c(C)c1[N+](=O)[O-] ZINC000481315675 994134417 /nfs/dbraw/zinc/13/44/17/994134417.db2.gz NFHOUENGKLGKMI-UHFFFAOYSA-N 0 1 404.430 3.893 20 5 HHBDMN COc1ccc(-c2cc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n[nH]2)cc1 ZINC000481848710 994703893 /nfs/dbraw/zinc/70/38/93/994703893.db2.gz YHLIOESNNNBJBY-UHFFFAOYSA-N 0 1 422.441 3.677 20 5 HHBDMN COc1cccc([C@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)CCN2C2CC2)c1 ZINC000482007034 994911835 /nfs/dbraw/zinc/91/18/35/994911835.db2.gz GHCFCUBVUSKEKM-PMACEKPBSA-N 0 1 415.877 3.965 20 5 HHBDMN COC(=O)c1ccc(-c2ccc(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1 ZINC000482008904 994913381 /nfs/dbraw/zinc/91/33/81/994913381.db2.gz NPDHFMBYSYPINX-QGZVFWFLSA-N 0 1 422.441 3.723 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CCN2C2CC2)c1 ZINC000482049123 994972215 /nfs/dbraw/zinc/97/22/15/994972215.db2.gz MZWGKOBGCXDTHS-FCHUYYIVSA-N 0 1 423.513 3.975 20 5 HHBDMN COC(=O)COc1ccc(CN[C@@H](c2ccc(F)cc2F)C(C)C)cc1[N+](=O)[O-] ZINC000474354238 995333493 /nfs/dbraw/zinc/33/34/93/995333493.db2.gz QUICFYYMIIYPDI-HXUWFJFHSA-N 0 1 408.401 3.912 20 5 HHBDMN COc1ccc(-c2ccc(CN[C@@H](c3nnc[nH]3)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000482537259 995545407 /nfs/dbraw/zinc/54/54/07/995545407.db2.gz RCZSCIWDXOQTFM-HXUWFJFHSA-N 0 1 405.414 3.861 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000474879246 995773194 /nfs/dbraw/zinc/77/31/94/995773194.db2.gz RXJYCCSHFHBOQM-AWEZNQCLSA-N 0 1 412.368 3.503 20 5 HHBDMN COC(=O)COc1ccc(CN(C)Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000475572172 996225232 /nfs/dbraw/zinc/22/52/32/996225232.db2.gz NZUKIKSHFUYERF-UHFFFAOYSA-N 0 1 412.364 3.797 20 5 HHBDMN CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2s1 ZINC000475613169 996247981 /nfs/dbraw/zinc/24/79/81/996247981.db2.gz AQQUKOITWPSTTE-UHFFFAOYSA-N 0 1 400.416 3.901 20 5 HHBDMN CC[C@@H]1CN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@@]2(CCOC2)O1 ZINC000475617826 996252148 /nfs/dbraw/zinc/25/21/48/996252148.db2.gz MWVVJSVJURHNHQ-QVKFZJNVSA-N 0 1 402.447 3.633 20 5 HHBDMN COC(=O)COc1ccc(CN2C[C@H](C)C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475720732 996322760 /nfs/dbraw/zinc/32/27/60/996322760.db2.gz AWFOAFMRGGZUSA-KDOFPFPSSA-N 0 1 402.422 3.869 20 5 HHBDMN COc1cc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc([N+](=O)[O-])c1C ZINC000483824680 996410882 /nfs/dbraw/zinc/41/08/82/996410882.db2.gz VAOIWIHIXZTMBR-UHFFFAOYSA-N 0 1 421.335 3.968 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)c1[N+](=O)[O-] ZINC000484766479 997110710 /nfs/dbraw/zinc/11/07/10/997110710.db2.gz DBSQDGUSXBQCDQ-INIZCTEOSA-N 0 1 412.425 3.777 20 5 HHBDMN CC[C@H](C)N(CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000484893848 997261763 /nfs/dbraw/zinc/26/17/63/997261763.db2.gz NATFFCFPMQNVFR-ZDUSSCGKSA-N 0 1 413.400 3.549 20 5 HHBDMN COc1c(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cccc1[N+](=O)[O-] ZINC000476726626 997275554 /nfs/dbraw/zinc/27/55/54/997275554.db2.gz ONKHLVTXNQYVKE-INIZCTEOSA-N 0 1 411.380 3.655 20 5 HHBDMN CN1CC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476981120 997601457 /nfs/dbraw/zinc/60/14/57/997601457.db2.gz NJYXNZDXYSJSSQ-VLIAUNLRSA-N 0 1 420.872 3.608 20 5 HHBDMN CN1CC[C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000476981115 997601589 /nfs/dbraw/zinc/60/15/89/997601589.db2.gz NJYXNZDXYSJSSQ-JLTOFOAXSA-N 0 1 420.872 3.608 20 5 HHBDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477243237 997916586 /nfs/dbraw/zinc/91/65/86/997916586.db2.gz HILZXJZAGUTUBA-UONOGXRCSA-N 0 1 423.477 3.895 20 5 HHBDMN CC(C)c1nc([C@H](C)NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000477305430 997993598 /nfs/dbraw/zinc/99/35/98/997993598.db2.gz ZZYHHWBUMCMGLW-JTQLQIEISA-N 0 1 414.388 3.535 20 5 HHBDMN COc1ccc(NC(=O)CNC2(c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 ZINC000477537372 998257148 /nfs/dbraw/zinc/25/71/48/998257148.db2.gz BNZQPRIXTHKYAX-UHFFFAOYSA-N 0 1 420.263 3.583 20 5 HHBDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000485942619 998386806 /nfs/dbraw/zinc/38/68/06/998386806.db2.gz GCCWZGOXPJLBPY-OAHLLOKOSA-N 0 1 414.893 3.827 20 5 HHBDMN COC(=O)c1cnc(NCc2ccccc2CN(C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000477729090 998461136 /nfs/dbraw/zinc/46/11/36/998461136.db2.gz DNQIQUQZOJPDEG-UHFFFAOYSA-N 0 1 410.430 3.614 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])N1CCCC1 ZINC000486650606 998876271 /nfs/dbraw/zinc/87/62/71/998876271.db2.gz LORDBKNQDAAFIZ-QGZVFWFLSA-N 0 1 415.515 3.892 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])N1CCCC1 ZINC000486650605 998876293 /nfs/dbraw/zinc/87/62/93/998876293.db2.gz LORDBKNQDAAFIZ-KRWDZBQOSA-N 0 1 415.515 3.892 20 5 HHBDMN C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000478566542 999027677 /nfs/dbraw/zinc/02/76/77/999027677.db2.gz QCLZBGHSQXJDRF-ACJLOTCBSA-N 0 1 407.829 3.516 20 5 HHBDMN CN(C)[C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000487182764 999090411 /nfs/dbraw/zinc/09/04/11/999090411.db2.gz CPGGMZGDQQDOOE-SFHVURJKSA-N 0 1 408.861 3.532 20 5 HHBDMN COc1cc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)cc1C ZINC000478701656 999096367 /nfs/dbraw/zinc/09/63/67/999096367.db2.gz PGYHGSCBJYDCLL-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN COc1cccc([C@H]2[C@@H](NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000488365263 999459051 /nfs/dbraw/zinc/45/90/51/999459051.db2.gz DRJRVLVSOBIZQB-UNMCSNQZSA-N 0 1 424.501 3.723 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000488365262 999459105 /nfs/dbraw/zinc/45/91/05/999459105.db2.gz DRJRVLVSOBIZQB-RBBKRZOGSA-N 0 1 424.501 3.723 20 5 HHBDMN CC(C)CCSc1ccc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000488779830 999605372 /nfs/dbraw/zinc/60/53/72/999605372.db2.gz VNKMDUWHESRAKX-QGZVFWFLSA-N 0 1 421.563 3.527 20 5 HHBDMN CCN(C(=O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccc2ccccc21 ZINC000488994012 999666794 /nfs/dbraw/zinc/66/67/94/999666794.db2.gz DHBWNYCSQQAKOM-UHFFFAOYSA-N 0 1 407.474 3.635 20 5 HHBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000480054753 999703641 /nfs/dbraw/zinc/70/36/41/999703641.db2.gz DPUFPOKMMNTYCZ-UHFFFAOYSA-N 0 1 411.418 3.706 20 5 HHBDMN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C ZINC000480253251 999756930 /nfs/dbraw/zinc/75/69/30/999756930.db2.gz VSEDAILRKRXCRL-VIFPVBQESA-N 0 1 406.386 3.890 20 5 HHBDMN COc1cc(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)ccc1[N+](=O)[O-] ZINC000489975272 999871719 /nfs/dbraw/zinc/87/17/19/999871719.db2.gz BXVYAFJGEKLAQF-UHFFFAOYSA-N 0 1 419.865 3.813 20 5 HHBDMN O=C(CCc1ccc(OC(F)(F)F)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490362933 999944816 /nfs/dbraw/zinc/94/48/16/999944816.db2.gz GVZHQRNRNFGIIP-UHFFFAOYSA-N 0 1 421.335 3.850 20 5 HHBDMN CCOc1ccc(OCCCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490396724 999950816 /nfs/dbraw/zinc/95/08/16/999950816.db2.gz HRDBGOZUWUIZOV-UHFFFAOYSA-N 0 1 411.418 3.576 20 5 HHBDMN COc1cc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)ccc1[N+](=O)[O-] ZINC000490613377 999984668 /nfs/dbraw/zinc/98/46/68/999984668.db2.gz XUSHRKBOZNDGMG-UHFFFAOYSA-N 0 1 407.308 3.660 20 5 HHBDMN CC(C)c1nnc(-c2ccccc2NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[nH]1 ZINC000492657376 1000137367 /nfs/dbraw/zinc/13/73/67/1000137367.db2.gz OMSUDOHXIVJNSY-UHFFFAOYSA-N 0 1 417.429 3.941 20 5 HHBDMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000493952442 1000234497 /nfs/dbraw/zinc/23/44/97/1000234497.db2.gz KVFLCJJRCFXBRU-QAPCUYQASA-N 0 1 411.792 3.585 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000504927829 1000453487 /nfs/dbraw/zinc/45/34/87/1000453487.db2.gz VHDQTOCCXKGONU-LSDHHAIUSA-N 0 1 421.519 3.656 20 5 HHBDMN CC1(C)CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000494460822 1000504392 /nfs/dbraw/zinc/50/43/92/1000504392.db2.gz ZYYMNNILAJYELL-UHFFFAOYSA-N 0 1 417.487 3.658 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494478588 1000514287 /nfs/dbraw/zinc/51/42/87/1000514287.db2.gz SWVMYFSREOWUDH-HNAYVOBHSA-N 0 1 407.829 3.754 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494478585 1000514342 /nfs/dbraw/zinc/51/43/42/1000514342.db2.gz SWVMYFSREOWUDH-BEFAXECRSA-N 0 1 407.829 3.754 20 5 HHBDMN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494479776 1000514934 /nfs/dbraw/zinc/51/49/34/1000514934.db2.gz YYGHQTOTRHAOSK-LIXBPZJASA-N 0 1 407.829 3.834 20 5 HHBDMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000494486487 1000518770 /nfs/dbraw/zinc/51/87/70/1000518770.db2.gz UPCWUSXEXJVPQR-UHFFFAOYSA-N 0 1 403.504 3.583 20 5 HHBDMN O=C1[C@H](N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000494492786 1000522216 /nfs/dbraw/zinc/52/22/16/1000522216.db2.gz MGKBZHVVVNHLAR-QRVBRYPASA-N 0 1 419.840 3.612 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494512222 1000533230 /nfs/dbraw/zinc/53/32/30/1000533230.db2.gz YFWZEQAAXMDDGO-APWZRJJASA-N 0 1 407.829 3.754 20 5 HHBDMN COc1ccccc1SC[C@@H](C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000505547901 1000894124 /nfs/dbraw/zinc/89/41/24/1000894124.db2.gz WEZQEQGBPILHMX-LBPRGKRZSA-N 0 1 400.460 3.638 20 5 HHBDMN COc1cc([C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1OCc1ccncc1 ZINC000505800020 1001033049 /nfs/dbraw/zinc/03/30/49/1001033049.db2.gz ZCGQGQIAOIMTNY-CQSZACIVSA-N 0 1 423.425 3.774 20 5 HHBDMN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505954459 1001125557 /nfs/dbraw/zinc/12/55/57/1001125557.db2.gz VPGJKITXDRWJTN-UHFFFAOYSA-N 0 1 424.375 3.797 20 5 HHBDMN O=C(NCCc1ccccc1)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000505972235 1001136447 /nfs/dbraw/zinc/13/64/47/1001136447.db2.gz YFFLBVQKVAVZQE-UHFFFAOYSA-N 0 1 405.410 3.525 20 5 HHBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000497357432 1001307534 /nfs/dbraw/zinc/30/75/34/1001307534.db2.gz HULXCBXGSMWDEN-MRXNPFEDSA-N 0 1 405.401 3.543 20 5 HHBDMN CCc1cc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497534133 1001423905 /nfs/dbraw/zinc/42/39/05/1001423905.db2.gz PDAODVKBQAYESQ-INIZCTEOSA-N 0 1 419.489 3.994 20 5 HHBDMN CCc1cc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497534133 1001423908 /nfs/dbraw/zinc/42/39/08/1001423908.db2.gz PDAODVKBQAYESQ-INIZCTEOSA-N 0 1 419.489 3.994 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000498044867 1001620071 /nfs/dbraw/zinc/62/00/71/1001620071.db2.gz IBLWGRKFXPSYHO-ZDUSSCGKSA-N 0 1 421.295 3.909 20 5 HHBDMN CN(C)[C@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000498113743 1001646692 /nfs/dbraw/zinc/64/66/92/1001646692.db2.gz INMIGZRQGFHJEN-GOSISDBHSA-N 0 1 408.861 3.532 20 5 HHBDMN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](c1ccco1)N1CCCCC1 ZINC000498125309 1001652570 /nfs/dbraw/zinc/65/25/70/1001652570.db2.gz JWOJJFAUWMFZHQ-GOSISDBHSA-N 0 1 420.897 3.910 20 5 HHBDMN Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C3)cs1 ZINC000507379558 1002035268 /nfs/dbraw/zinc/03/52/68/1002035268.db2.gz IMIJXYVBWGTROP-UHFFFAOYSA-N 0 1 401.469 3.992 20 5 HHBDMN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498897216 1002287720 /nfs/dbraw/zinc/28/77/20/1002287720.db2.gz VUXAFVWTUOKQJE-AWEZNQCLSA-N 0 1 424.486 3.734 20 5 HHBDMN C[C@H](c1ccc(F)cc1F)N1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000507719000 1002307820 /nfs/dbraw/zinc/30/78/20/1002307820.db2.gz QSSJKPCDDPMHRW-OAHLLOKOSA-N 0 1 418.444 3.580 20 5 HHBDMN COc1cc(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000508215006 1002745900 /nfs/dbraw/zinc/74/59/00/1002745900.db2.gz GYGGGGWUGINSFA-CQSZACIVSA-N 0 1 424.457 3.817 20 5 HHBDMN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000500310907 1003615864 /nfs/dbraw/zinc/61/58/64/1003615864.db2.gz LNTZHNPKQOASJF-UHFFFAOYSA-N 0 1 400.398 3.881 20 5 HHBDMN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000500310907 1003615868 /nfs/dbraw/zinc/61/58/68/1003615868.db2.gz LNTZHNPKQOASJF-UHFFFAOYSA-N 0 1 400.398 3.881 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000500352232 1003651125 /nfs/dbraw/zinc/65/11/25/1003651125.db2.gz VNXCAEVWTZMJGO-UHFFFAOYSA-N 0 1 401.400 3.549 20 5 HHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000509250853 1003654421 /nfs/dbraw/zinc/65/44/21/1003654421.db2.gz JFTAYTUGQYCEKZ-UHFFFAOYSA-N 0 1 418.251 3.860 20 5 HHBDMN COC(=O)COc1ccc(CN[C@]2(c3ccc(Cl)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000500400240 1003693387 /nfs/dbraw/zinc/69/33/87/1003693387.db2.gz SHBDZVXHEDPMPI-ZUOKHONESA-N 0 1 404.850 3.825 20 5 HHBDMN COc1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)ccc1[N+](=O)[O-] ZINC000511823790 1003794171 /nfs/dbraw/zinc/79/41/71/1003794171.db2.gz HJQOBIPEVPVCEA-MRXNPFEDSA-N 0 1 423.391 3.627 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)N(C)C)c1 ZINC000509371452 1003799416 /nfs/dbraw/zinc/79/94/16/1003799416.db2.gz JROFYKSPJBQUEW-OAQYLSRUSA-N 0 1 414.506 3.826 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000509383918 1003812132 /nfs/dbraw/zinc/81/21/32/1003812132.db2.gz JUFOMWPMSSCKHW-UHFFFAOYSA-N 0 1 417.365 3.595 20 5 HHBDMN C[C@@H]1CN(C[C@@H]2CCCN2Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)O1 ZINC000512070781 1003999891 /nfs/dbraw/zinc/99/98/91/1003999891.db2.gz HJYGHHIOVLFCEY-YRNRMSPPSA-N 0 1 416.547 3.792 20 5 HHBDMN C[C@@H]1CN(C[C@H]2CCCN2Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000512070779 1004000015 /nfs/dbraw/zinc/00/00/15/1004000015.db2.gz HJYGHHIOVLFCEY-JXXFODFXSA-N 0 1 416.547 3.792 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000509684486 1004028187 /nfs/dbraw/zinc/02/81/87/1004028187.db2.gz WOBMSXCUSDUSOX-GXFFZTMASA-N 0 1 404.341 3.587 20 5 HHBDMN CCOC1CC2(C1)CCN(Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C2 ZINC000512827600 1004585694 /nfs/dbraw/zinc/58/56/94/1004585694.db2.gz LASDULSIDYPHMN-UHFFFAOYSA-N 0 1 400.422 3.638 20 5 HHBDMN Cc1c(Br)cc(C(=O)NCc2ccc(F)c(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000510494623 1004613290 /nfs/dbraw/zinc/61/32/90/1004613290.db2.gz YJECOAPSRGQDPI-UHFFFAOYSA-N 0 1 424.270 3.796 20 5 HHBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccc(F)cc3)n2)c1[N+](=O)[O-] ZINC000501796657 1004739889 /nfs/dbraw/zinc/73/98/89/1004739889.db2.gz NIGAPYZKSOQNHX-AWEZNQCLSA-N 0 1 414.397 3.573 20 5 HHBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000502098265 1004902155 /nfs/dbraw/zinc/90/21/55/1004902155.db2.gz OAFDYTUJKRXZAJ-SPLOXXLWSA-N 0 1 424.457 3.526 20 5 HHBDMN Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000511157844 1005050001 /nfs/dbraw/zinc/05/00/01/1005050001.db2.gz ULUYUBCSMNQEGN-UHFFFAOYSA-N 0 1 417.487 3.767 20 5 HHBDMN COc1ccc(C(=O)Nc2ccc(CN3CCSCC3)cc2C)cc1[N+](=O)[O-] ZINC000502491786 1005090580 /nfs/dbraw/zinc/09/05/80/1005090580.db2.gz LKUIQTOOZSGPJC-UHFFFAOYSA-N 0 1 401.488 3.713 20 5 HHBDMN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC(F)(F)c2ccc(Cl)cc2)cc1 ZINC000511411178 1005164997 /nfs/dbraw/zinc/16/49/97/1005164997.db2.gz MWZWIMHPWCJTOO-UHFFFAOYSA-N 0 1 404.822 3.502 20 5 HHBDMN Cn1ccnc1[C@@H](NCC1(c2ccccc2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000514088808 1005260318 /nfs/dbraw/zinc/26/03/18/1005260318.db2.gz NGEYIEWTMNRVDK-NRFANRHFSA-N 0 1 406.486 3.756 20 5 HHBDMN CCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502919882 1005274755 /nfs/dbraw/zinc/27/47/55/1005274755.db2.gz PMLCUXXJAHWHHP-QGZVFWFLSA-N 0 1 424.501 3.613 20 5 HHBDMN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000514248513 1005332546 /nfs/dbraw/zinc/33/25/46/1005332546.db2.gz RKHFDXQUQXMICB-JXXFODFXSA-N 0 1 413.474 3.760 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H](c4ncc5n4CCCC5)C3)o2)cc1 ZINC000503381908 1005403773 /nfs/dbraw/zinc/40/37/73/1005403773.db2.gz GDOJAFPFPHBBHF-INIZCTEOSA-N 0 1 408.462 3.557 20 5 HHBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000503616050 1005465928 /nfs/dbraw/zinc/46/59/28/1005465928.db2.gz NIPSSKKTPBGDET-UHFFFAOYSA-N 0 1 400.504 3.503 20 5 HHBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc3ncccc32)c1 ZINC000534205365 1006197672 /nfs/dbraw/zinc/19/76/72/1006197672.db2.gz CURUJLHDOJBJGS-UHFFFAOYSA-N 0 1 408.233 3.706 20 5 HHBDMN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531443710 1006199962 /nfs/dbraw/zinc/19/99/62/1006199962.db2.gz AZCQUKJUYYPLOG-UONOGXRCSA-N 0 1 414.462 3.548 20 5 HHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000515335742 1006406362 /nfs/dbraw/zinc/40/63/62/1006406362.db2.gz FVRQPGFFLZNUJV-SFHVURJKSA-N 0 1 422.485 3.756 20 5 HHBDMN Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000534475001 1006462027 /nfs/dbraw/zinc/46/20/27/1006462027.db2.gz ULNGXQUFSRSAPQ-SFHVURJKSA-N 0 1 418.457 3.968 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1cncc(Br)c1)C1CC1 ZINC000515470079 1006484264 /nfs/dbraw/zinc/48/42/64/1006484264.db2.gz KLSXTTKBSTUGCK-SFHVURJKSA-N 0 1 419.279 3.740 20 5 HHBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000534587043 1006571969 /nfs/dbraw/zinc/57/19/69/1006571969.db2.gz RGCWOJHCEXPIFA-IBGZPJMESA-N 0 1 420.473 3.936 20 5 HHBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000534587043 1006571983 /nfs/dbraw/zinc/57/19/83/1006571983.db2.gz RGCWOJHCEXPIFA-IBGZPJMESA-N 0 1 420.473 3.936 20 5 HHBDMN COc1ccc(-c2ccc(CNC(C)(C)C(=O)NCC(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000538424666 1006691034 /nfs/dbraw/zinc/69/10/34/1006691034.db2.gz OTCRBVBXGAPJDE-UHFFFAOYSA-N 0 1 403.479 3.894 20 5 HHBDMN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cc(Cl)cc(Br)c1O ZINC000534707337 1006694365 /nfs/dbraw/zinc/69/43/65/1006694365.db2.gz XALVMXLLBKHRLL-UHFFFAOYSA-N 0 1 400.616 3.767 20 5 HHBDMN CN(C)[C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000532288208 1006771923 /nfs/dbraw/zinc/77/19/23/1006771923.db2.gz PQSXLDPLFGHOSC-LJQANCHMSA-N 0 1 402.882 3.619 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CCN2C2CC2)c1 ZINC000538674868 1006959786 /nfs/dbraw/zinc/95/97/86/1006959786.db2.gz GLJVFSXHUAUBEN-FDDCHVKYSA-N 0 1 422.485 3.878 20 5 HHBDMN O=C(CN1CCC(c2c[nH]c3cc(F)ccc32)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532561879 1006993994 /nfs/dbraw/zinc/99/39/94/1006993994.db2.gz WTABRVHEJDSLIG-UHFFFAOYSA-N 0 1 422.460 3.984 20 5 HHBDMN CN1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534962773 1007012172 /nfs/dbraw/zinc/01/21/72/1007012172.db2.gz JOMHNYSICKRECV-MGPUTAFESA-N 0 1 405.857 3.739 20 5 HHBDMN O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000516337493 1007026098 /nfs/dbraw/zinc/02/60/98/1007026098.db2.gz MOLWHDCLHYGXPL-SFHVURJKSA-N 0 1 401.413 3.641 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000538750816 1007035578 /nfs/dbraw/zinc/03/55/78/1007035578.db2.gz ADBFCSBQOBAADA-AWEZNQCLSA-N 0 1 417.428 3.616 20 5 HHBDMN CC(C)Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000532610813 1007038948 /nfs/dbraw/zinc/03/89/48/1007038948.db2.gz DWTVYJPTGLPTPJ-UHFFFAOYSA-N 0 1 415.265 3.945 20 5 HHBDMN C[C@H](C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000516920111 1007344187 /nfs/dbraw/zinc/34/41/87/1007344187.db2.gz FXZFOTLDGUMGCT-AWEZNQCLSA-N 0 1 402.882 3.742 20 5 HHBDMN CN1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H]1c1ccc(Cl)cc1 ZINC000535542670 1007583157 /nfs/dbraw/zinc/58/31/57/1007583157.db2.gz OQUJYWDZVDSKFL-MGPUTAFESA-N 0 1 400.866 3.990 20 5 HHBDMN COc1cc(C)c([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000539288168 1007584727 /nfs/dbraw/zinc/58/47/27/1007584727.db2.gz CNLNERBLZUFJCM-GFCCVEGCSA-N 0 1 407.854 3.863 20 5 HHBDMN CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000533295815 1007611690 /nfs/dbraw/zinc/61/16/90/1007611690.db2.gz TTZGFESLNXCAFG-HXUWFJFHSA-N 0 1 420.469 3.920 20 5 HHBDMN CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000533295815 1007611698 /nfs/dbraw/zinc/61/16/98/1007611698.db2.gz TTZGFESLNXCAFG-HXUWFJFHSA-N 0 1 420.469 3.920 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)c4c(C)cccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000539364753 1007667702 /nfs/dbraw/zinc/66/77/02/1007667702.db2.gz OIYXWLXAAHQHFA-HNNXBMFYSA-N 0 1 414.487 3.656 20 5 HHBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000539372541 1007676972 /nfs/dbraw/zinc/67/69/72/1007676972.db2.gz AMRVGKMQJYNUMD-UHFFFAOYSA-N 0 1 415.450 3.950 20 5 HHBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000539372541 1007676978 /nfs/dbraw/zinc/67/69/78/1007676978.db2.gz AMRVGKMQJYNUMD-UHFFFAOYSA-N 0 1 415.450 3.950 20 5 HHBDMN CN1CC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000535672625 1007692930 /nfs/dbraw/zinc/69/29/30/1007692930.db2.gz WXCXRUNTYKTWOY-FOIQADDNSA-N 0 1 405.857 3.739 20 5 HHBDMN CC1(C)CN(C2(CNC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CCCCC2)CCO1 ZINC000535694129 1007730136 /nfs/dbraw/zinc/73/01/36/1007730136.db2.gz KCVRHZSVGXSZCM-UHFFFAOYSA-N 0 1 414.506 3.620 20 5 HHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000533471713 1007780874 /nfs/dbraw/zinc/78/08/74/1007780874.db2.gz HENRVAPTDIOLRH-NRFANRHFSA-N 0 1 404.426 3.667 20 5 HHBDMN O=C(c1cccc(Br)c1O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000535792054 1007797889 /nfs/dbraw/zinc/79/78/89/1007797889.db2.gz OVONRPRTNXAMOQ-INIZCTEOSA-N 0 1 409.261 3.951 20 5 HHBDMN COc1cc(CN2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539821104 1008114663 /nfs/dbraw/zinc/11/46/63/1008114663.db2.gz IOZFOUVYTNGIPA-GOSISDBHSA-N 0 1 418.412 3.937 20 5 HHBDMN CC(C)(C)OC(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000540029296 1008246033 /nfs/dbraw/zinc/24/60/33/1008246033.db2.gz BJDBUYBMSZJUQZ-UHFFFAOYSA-N 0 1 409.402 3.588 20 5 HHBDMN COc1ccc(Br)c(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000540169735 1008320392 /nfs/dbraw/zinc/32/03/92/1008320392.db2.gz SNIJADHXNVMBSS-LBPRGKRZSA-N 0 1 422.279 3.873 20 5 HHBDMN CC(C)(C)Oc1cc(N2CCN(CCCOCC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000540298963 1008371923 /nfs/dbraw/zinc/37/19/23/1008371923.db2.gz CDEIJFOSVACCCX-UHFFFAOYSA-N 0 1 419.444 3.863 20 5 HHBDMN COc1cc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000540328304 1008382094 /nfs/dbraw/zinc/38/20/94/1008382094.db2.gz UNVYMQYEUZJUSQ-ZIAGYGMSSA-N 0 1 417.462 3.607 20 5 HHBDMN CC(C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(F)c1 ZINC000540411167 1008421491 /nfs/dbraw/zinc/42/14/91/1008421491.db2.gz LTWAEBPQUCKCHT-UHFFFAOYSA-N 0 1 410.243 3.960 20 5 HHBDMN CC(C)[N@@H+](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)C[C@@H]1CCCCO1 ZINC000540420115 1008425315 /nfs/dbraw/zinc/42/53/15/1008425315.db2.gz YFSBYKANCMNTMV-SFHVURJKSA-N 0 1 400.479 3.955 20 5 HHBDMN CC(C)[N@H+](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1)C[C@@H]1CCCCO1 ZINC000540420115 1008425316 /nfs/dbraw/zinc/42/53/16/1008425316.db2.gz YFSBYKANCMNTMV-SFHVURJKSA-N 0 1 400.479 3.955 20 5 HHBDMN CC(C)(NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1Br ZINC000540423600 1008427094 /nfs/dbraw/zinc/42/70/94/1008427094.db2.gz CMSOLDQSQIOGOD-CQSZACIVSA-N 0 1 409.280 3.622 20 5 HHBDMN O=[N+]([O-])c1cc(I)cc(COc2ccccc2-c2nnc[nH]2)c1 ZINC000518841483 1008441280 /nfs/dbraw/zinc/44/12/80/1008441280.db2.gz RJCYTNINNUDMFK-UHFFFAOYSA-N 0 1 422.182 3.564 20 5 HHBDMN Cc1c([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000540466720 1008442146 /nfs/dbraw/zinc/44/21/46/1008442146.db2.gz HACFMPMEYIVVJJ-UONOGXRCSA-N 0 1 411.437 3.906 20 5 HHBDMN Cc1c([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000540466749 1008442186 /nfs/dbraw/zinc/44/21/86/1008442186.db2.gz HACFMPMEYIVVJJ-ZIAGYGMSSA-N 0 1 411.437 3.906 20 5 HHBDMN Cc1ccc([C@H](C)NCC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000540477014 1008446962 /nfs/dbraw/zinc/44/69/62/1008446962.db2.gz WLKWVBVZHQSLQY-AWEZNQCLSA-N 0 1 407.417 3.814 20 5 HHBDMN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000518876727 1008456209 /nfs/dbraw/zinc/45/62/09/1008456209.db2.gz ZGCLPWRJFQDYTG-CZUORRHYSA-N 0 1 407.854 3.562 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000543184238 1008758865 /nfs/dbraw/zinc/75/88/65/1008758865.db2.gz ZLHBHVSAGXGDGW-GJZGRUSLSA-N 0 1 402.344 3.757 20 5 HHBDMN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2N2CCN(C)CC2)no1 ZINC000545710708 1008805326 /nfs/dbraw/zinc/80/53/26/1008805326.db2.gz VWWNMRHTQAVKNX-FOCLMDBBSA-N 0 1 405.458 3.957 20 5 HHBDMN CN1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000543312729 1008891906 /nfs/dbraw/zinc/89/19/06/1008891906.db2.gz KUAHZZHRAKELRG-HOTGVXAUSA-N 0 1 405.907 3.554 20 5 HHBDMN COc1cc([C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])ccc1OC(C)C ZINC000519891772 1009057968 /nfs/dbraw/zinc/05/79/68/1009057968.db2.gz RSEXFUBJPYZIIO-GFCCVEGCSA-N 0 1 412.439 3.569 20 5 HHBDMN O=C(Nc1cccc(Cl)c1)N1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549526825 1009136928 /nfs/dbraw/zinc/13/69/28/1009136928.db2.gz ACOUSIMFLGJKFC-UHFFFAOYSA-N 0 1 404.854 3.694 20 5 HHBDMN Cc1cc(C2CCN(C(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000546157516 1009190026 /nfs/dbraw/zinc/19/00/26/1009190026.db2.gz MHNWDVKTUJMEHQ-HNNXBMFYSA-N 0 1 411.506 3.882 20 5 HHBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543797077 1009364511 /nfs/dbraw/zinc/36/45/11/1009364511.db2.gz KWIXMKCIQMJBHV-CQSZACIVSA-N 0 1 411.430 3.825 20 5 HHBDMN Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4cc(O)ccc4[N+](=O)[O-])CC3)n2)cc1 ZINC000549770681 1009384597 /nfs/dbraw/zinc/38/45/97/1009384597.db2.gz XLEIFKPXQGFTQT-MRXNPFEDSA-N 0 1 423.473 3.538 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c1C ZINC000520280688 1009398481 /nfs/dbraw/zinc/39/84/81/1009398481.db2.gz VAKPYQJTKCJMHH-GJZGRUSLSA-N 0 1 419.503 3.626 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)[nH]c2c1 ZINC000520308571 1009435086 /nfs/dbraw/zinc/43/50/86/1009435086.db2.gz NAMQMHOVCBHOSZ-FQEVSTJZSA-N 0 1 416.441 3.943 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000543919195 1009510273 /nfs/dbraw/zinc/51/02/73/1009510273.db2.gz CGIDGBYYAYSSRN-ZDUSSCGKSA-N 0 1 412.368 3.674 20 5 HHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000549927808 1009542702 /nfs/dbraw/zinc/54/27/02/1009542702.db2.gz FEGXCAZXCDVXME-IBGZPJMESA-N 0 1 409.408 3.777 20 5 HHBDMN COc1ccc(-c2n[nH]c(SCCOc3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 ZINC000520695379 1009762918 /nfs/dbraw/zinc/76/29/18/1009762918.db2.gz KWWAAQTWOUREKO-UHFFFAOYSA-N 0 1 402.432 3.568 20 5 HHBDMN Cc1cc(C2CCN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000546858018 1009820070 /nfs/dbraw/zinc/82/00/70/1009820070.db2.gz OQWJZQSKUKMPFA-UHFFFAOYSA-N 0 1 412.368 3.587 20 5 HHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000544241584 1009851527 /nfs/dbraw/zinc/85/15/27/1009851527.db2.gz OPKBFLPMIUTYJV-LBPRGKRZSA-N 0 1 421.910 3.742 20 5 HHBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000544319069 1009943110 /nfs/dbraw/zinc/94/31/10/1009943110.db2.gz NUGGGMPALFLQPH-INIZCTEOSA-N 0 1 423.498 3.878 20 5 HHBDMN Cc1c([C@@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cnn1-c1ccc(F)cc1 ZINC000544433082 1010057436 /nfs/dbraw/zinc/05/74/36/1010057436.db2.gz MPLVYCZFXZZCQS-SZNDQCEHSA-N 0 1 423.448 3.684 20 5 HHBDMN Cc1sc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc1-c1ccc(Cl)cc1 ZINC000544471616 1010095103 /nfs/dbraw/zinc/09/51/03/1010095103.db2.gz XAGFWMMNQYTBCN-BDJLRTHQSA-N 0 1 421.910 3.588 20 5 HHBDMN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1 ZINC000544639451 1010263729 /nfs/dbraw/zinc/26/37/29/1010263729.db2.gz GXCYYBCZHNQZRX-UHFFFAOYSA-N 0 1 419.503 3.931 20 5 HHBDMN Cc1cc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cc([N+](=O)[O-])c1 ZINC000521300830 1010288866 /nfs/dbraw/zinc/28/88/66/1010288866.db2.gz RVUIUWGPZNOFKI-UHFFFAOYSA-N 0 1 410.474 3.970 20 5 HHBDMN Cc1c(NC(=O)[C@H](C)N2CCCN(Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000550998253 1010307482 /nfs/dbraw/zinc/30/74/82/1010307482.db2.gz VVZLQLVWMSWWGC-KRWDZBQOSA-N 0 1 414.481 3.577 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000521461823 1010385749 /nfs/dbraw/zinc/38/57/49/1010385749.db2.gz LBCBIIHRXQRUAS-AWEZNQCLSA-N 0 1 412.393 3.994 20 5 HHBDMN CC(C)([C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000548274053 1010576334 /nfs/dbraw/zinc/57/63/34/1010576334.db2.gz UJQVXZGYYNPSTE-SFHVURJKSA-N 0 1 404.417 3.614 20 5 HHBDMN CC(C)(CS(C)(=O)=O)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000545164532 1010661593 /nfs/dbraw/zinc/66/15/93/1010661593.db2.gz KIFDVYDXXSWXMJ-UHFFFAOYSA-N 0 1 412.895 3.953 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)[nH]c2c1 ZINC000522040066 1010771442 /nfs/dbraw/zinc/77/14/42/1010771442.db2.gz VKLRLKBQQBDGMZ-INIZCTEOSA-N 0 1 408.414 3.528 20 5 HHBDMN COc1ccc(CSCC(=O)N2CCN(C3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000522353515 1010951245 /nfs/dbraw/zinc/95/12/45/1010951245.db2.gz BMFSYHDMXPCGMM-UHFFFAOYSA-N 0 1 421.563 3.560 20 5 HHBDMN CN(C)[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000522583765 1011093014 /nfs/dbraw/zinc/09/30/14/1011093014.db2.gz UIBYYCRFGPCURS-QGZVFWFLSA-N 0 1 409.845 3.575 20 5 HHBDMN CCOc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000540851588 1011518407 /nfs/dbraw/zinc/51/84/07/1011518407.db2.gz VQAYRDUKWVHCDU-KRWDZBQOSA-N 0 1 421.457 3.798 20 5 HHBDMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000540860974 1011528281 /nfs/dbraw/zinc/52/82/81/1011528281.db2.gz OAXJPKZPKXOTMK-UHFFFAOYSA-N 0 1 417.381 3.557 20 5 HHBDMN COc1cccc([C@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])N(C)C)c1 ZINC000536754900 1011946073 /nfs/dbraw/zinc/94/60/73/1011946073.db2.gz DFURRRPNVMJXAM-FQEVSTJZSA-N 0 1 420.469 3.698 20 5 HHBDMN CN(C)Cc1ccc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000541468649 1012233264 /nfs/dbraw/zinc/23/32/64/1012233264.db2.gz NFBIMEVLVJQYGA-UHFFFAOYSA-N 0 1 411.886 3.857 20 5 HHBDMN COc1ccc(C[C@H](C)CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000552275211 1012289650 /nfs/dbraw/zinc/28/96/50/1012289650.db2.gz OGIFEYUOXYQUKP-KSFYIVLOSA-N 0 1 424.501 3.903 20 5 HHBDMN CCN([C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000523757349 1012383982 /nfs/dbraw/zinc/38/39/82/1012383982.db2.gz GEZTVBFHDHOING-MJGOQNOKSA-N 0 1 417.531 3.749 20 5 HHBDMN CCN([C@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000523757349 1012383988 /nfs/dbraw/zinc/38/39/88/1012383988.db2.gz GEZTVBFHDHOING-MJGOQNOKSA-N 0 1 417.531 3.749 20 5 HHBDMN CN(C(=O)CN[C@H](COc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000537116751 1012494388 /nfs/dbraw/zinc/49/43/88/1012494388.db2.gz VOGUUVXGRUQPPW-JOCHJYFZSA-N 0 1 405.454 3.968 20 5 HHBDMN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(OCC2CC2)c(F)c1 ZINC000537122942 1012504877 /nfs/dbraw/zinc/50/48/77/1012504877.db2.gz VURHNCRFTFIUEY-CQSZACIVSA-N 0 1 413.449 3.763 20 5 HHBDMN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000537123658 1012506978 /nfs/dbraw/zinc/50/69/78/1012506978.db2.gz BESMWSVNTNMBGO-VLIAUNLRSA-N 0 1 413.449 3.979 20 5 HHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(OCC(F)(F)F)c(F)c3)C2)nc1 ZINC000541773352 1012639958 /nfs/dbraw/zinc/63/99/58/1012639958.db2.gz XRSBNVDBKJXKBJ-ZDUSSCGKSA-N 0 1 414.359 3.756 20 5 HHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000541785416 1012655468 /nfs/dbraw/zinc/65/54/68/1012655468.db2.gz PUTXGOBXXXWTLS-AWEZNQCLSA-N 0 1 410.409 3.931 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc(-c3cnc(C)o3)cc2)cc1[N+](=O)[O-] ZINC000488244738 1072160737 /nfs/dbraw/zinc/16/07/37/1072160737.db2.gz PTZSVTYYXZUFHA-UHFFFAOYSA-N 0 1 407.379 3.507 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)N2CCCC2)c1 ZINC000911903261 1072222645 /nfs/dbraw/zinc/22/26/45/1072222645.db2.gz RBWQHCRMXALDCF-LJQANCHMSA-N 0 1 403.866 3.824 20 5 HHBDMN CSc1cccc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000760340195 1072264316 /nfs/dbraw/zinc/26/43/16/1072264316.db2.gz YOOMQYBHWALYNZ-UHFFFAOYSA-N 0 1 403.279 3.880 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1 ZINC000554903680 1072938852 /nfs/dbraw/zinc/93/88/52/1072938852.db2.gz KFAIURBDIGPUCZ-UHFFFAOYSA-N 0 1 405.208 3.885 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000555140238 1073210010 /nfs/dbraw/zinc/21/00/10/1073210010.db2.gz SRXDISVTCQVGRZ-UHFFFAOYSA-N 0 1 404.366 3.869 20 5 HHBDMN CCOc1cc(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC001626000388 1074072135 /nfs/dbraw/zinc/07/21/35/1074072135.db2.gz WXKSKKWNDWUOFD-HNNXBMFYSA-N 0 1 413.478 3.736 20 5 HHBDMN O=C1[C@@H](N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCN1Cc1ccccc1 ZINC000760842380 1074407337 /nfs/dbraw/zinc/40/73/37/1074407337.db2.gz XHLVQJLAADKMLL-QFIPXVFZSA-N 0 1 409.486 3.629 20 5 HHBDMN Cc1c(C)c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164908774 721710108 /nfs/dbraw/zinc/71/01/08/721710108.db2.gz ZBEJPTXGLLWTDQ-FQEVSTJZSA-N 0 1 417.460 3.739 20 5 HHBDMN O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c21 ZINC001164994268 722211888 /nfs/dbraw/zinc/21/18/88/722211888.db2.gz AAMOPBWIFGZATF-JOCHJYFZSA-N 0 1 407.449 3.922 20 5 HHBDMN CN(C)[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccccc1 ZINC000301186010 970794871 /nfs/dbraw/zinc/79/48/71/970794871.db2.gz PJCRSCGSCQRKEQ-SFHVURJKSA-N 0 1 413.865 3.509 20 5 HHBDMN O=[N+]([O-])c1cnc(NC2CCN(Cc3ccc(F)cc3)CC2)c(Br)c1 ZINC000301513679 970963318 /nfs/dbraw/zinc/96/33/18/970963318.db2.gz DTHAKAUGMCLPST-UHFFFAOYSA-N 0 1 409.259 3.968 20 5 HHBDMN O=[N+]([O-])c1cccc(CNc2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)c1 ZINC000301513320 970963350 /nfs/dbraw/zinc/96/33/50/970963350.db2.gz KZUUBGOKGUECRG-UHFFFAOYSA-N 0 1 420.397 3.681 20 5 HHBDMN C[C@H](c1ccncc1)N1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301811227 971072956 /nfs/dbraw/zinc/07/29/56/971072956.db2.gz XXUQCGPEDSHZLF-GFCCVEGCSA-N 0 1 406.284 3.785 20 5 HHBDMN O=[N+]([O-])c1cnc2ccc(NC[C@H](c3ccccc3)N3CCc4sccc4C3)nn21 ZINC000301872590 971094145 /nfs/dbraw/zinc/09/41/45/971094145.db2.gz DGUYMVYNPPZUSS-QGZVFWFLSA-N 0 1 420.498 3.911 20 5 HHBDMN CNC(=O)c1ccc(N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000302025030 971154524 /nfs/dbraw/zinc/15/45/24/971154524.db2.gz KDGBVDKIHJLTNI-UYAOXDASSA-N 0 1 418.444 3.869 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccc(F)c1 ZINC000524253344 1013063405 /nfs/dbraw/zinc/06/34/05/1013063405.db2.gz MIZPMRGYZDKYIM-MRXNPFEDSA-N 0 1 410.243 3.529 20 5 HHBDMN Cc1nc([C@H]2CCCN(c3ccc(C(=O)Nc4ccc(C)cc4)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000537561726 1013093813 /nfs/dbraw/zinc/09/38/13/1013093813.db2.gz MMPFONPHNCQUJG-KRWDZBQOSA-N 0 1 420.473 3.966 20 5 HHBDMN Cc1nnc([C@H]2CCCN(c3ccc(C(=O)Nc4ccc(C)cc4)cc3[N+](=O)[O-])C2)[nH]1 ZINC000537561726 1013093826 /nfs/dbraw/zinc/09/38/26/1013093826.db2.gz MMPFONPHNCQUJG-KRWDZBQOSA-N 0 1 420.473 3.966 20 5 HHBDMN C[C@H]([NH2+]C(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000303326951 971632734 /nfs/dbraw/zinc/63/27/34/971632734.db2.gz BAAYGUCCZHZOID-ZDUSSCGKSA-N 0 1 411.911 3.656 20 5 HHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000005089706 960650321 /nfs/dbraw/zinc/65/03/21/960650321.db2.gz GNCKKHHUZRWAPI-UHFFFAOYSA-N 0 1 402.882 3.951 20 5 HHBDMN C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000005677665 960763595 /nfs/dbraw/zinc/76/35/95/960763595.db2.gz ROFXBPAXOVQERH-VIFPVBQESA-N 0 1 405.386 3.777 20 5 HHBDMN CCOc1ccc(NC(=O)CSc2nc3ccc(OC)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000008759981 961595830 /nfs/dbraw/zinc/59/58/30/961595830.db2.gz NULDBDIGDFWDRH-UHFFFAOYSA-N 0 1 402.432 3.609 20 5 HHBDMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000012105036 962241304 /nfs/dbraw/zinc/24/13/04/962241304.db2.gz OTYKORANXGXHRK-UHFFFAOYSA-N 0 1 401.492 3.517 20 5 HHBDMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000012105036 962241320 /nfs/dbraw/zinc/24/13/20/962241320.db2.gz OTYKORANXGXHRK-UHFFFAOYSA-N 0 1 401.492 3.517 20 5 HHBDMN CN1CC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000542381949 1013336395 /nfs/dbraw/zinc/33/63/95/1013336395.db2.gz SXPQQCYCCOOGAF-BEFAXECRSA-N 0 1 405.907 3.902 20 5 HHBDMN C[C@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000014389439 962496998 /nfs/dbraw/zinc/49/69/98/962496998.db2.gz FPBBRPNCIAVYAD-ZETCQYMHSA-N 0 1 401.370 3.728 20 5 HHBDMN C[C@H](Sc1n[nH]c(C2CC2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000014389439 962497029 /nfs/dbraw/zinc/49/70/29/962497029.db2.gz FPBBRPNCIAVYAD-ZETCQYMHSA-N 0 1 401.370 3.728 20 5 HHBDMN COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC000023388934 963815261 /nfs/dbraw/zinc/81/52/61/963815261.db2.gz YIZNIWAJRQHLOB-NRFANRHFSA-N 0 1 402.410 3.999 20 5 HHBDMN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000023388787 963815407 /nfs/dbraw/zinc/81/54/07/963815407.db2.gz JEIIXOCVWKMPQK-QFIPXVFZSA-N 0 1 402.410 3.756 20 5 HHBDMN COc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC)N2CCCCC2)cc1 ZINC000027668351 964940202 /nfs/dbraw/zinc/94/02/02/964940202.db2.gz GQYJCEGGCVXQOH-FQEVSTJZSA-N 0 1 413.474 3.569 20 5 HHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057501815 965477987 /nfs/dbraw/zinc/47/79/87/965477987.db2.gz TYAMXGLKOYGZIN-UHFFFAOYSA-N 0 1 402.882 3.571 20 5 HHBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000058531528 965771266 /nfs/dbraw/zinc/77/12/66/965771266.db2.gz FXTQZJARPSDIPJ-UHFFFAOYSA-N 0 1 414.481 3.707 20 5 HHBDMN CC(C)COc1ccc([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000542683596 1013604141 /nfs/dbraw/zinc/60/41/41/1013604141.db2.gz SVSNSSSERYGGPJ-MRXNPFEDSA-N 0 1 406.504 3.754 20 5 HHBDMN CC1CCN([C@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000058723695 965863038 /nfs/dbraw/zinc/86/30/38/965863038.db2.gz ZPNCBWFQZQPCOT-GOSISDBHSA-N 0 1 423.560 3.549 20 5 HHBDMN CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000055632859 965977460 /nfs/dbraw/zinc/97/74/60/965977460.db2.gz HQVKJBQKGSUVFF-UHFFFAOYSA-N 0 1 419.503 3.966 20 5 HHBDMN CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000055632852 965978094 /nfs/dbraw/zinc/97/80/94/965978094.db2.gz LMAWMYHXDWZXMG-UHFFFAOYSA-N 0 1 419.503 3.966 20 5 HHBDMN CCc1ccc([C@@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000060159925 966071287 /nfs/dbraw/zinc/07/12/87/966071287.db2.gz UYDDITJMPPDXGE-OAQYLSRUSA-N 0 1 421.501 3.837 20 5 HHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000031960218 966162861 /nfs/dbraw/zinc/16/28/61/966162861.db2.gz KLQRVJBADZAYDP-HNNXBMFYSA-N 0 1 409.577 3.553 20 5 HHBDMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060496228 966173089 /nfs/dbraw/zinc/17/30/89/966173089.db2.gz XDPXCRQOQZPZIC-PKOBYXMFSA-N 0 1 415.515 3.517 20 5 HHBDMN C[C@@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056159845 966240103 /nfs/dbraw/zinc/24/01/03/966240103.db2.gz WCOCZRZHMGXRIR-UONOGXRCSA-N 0 1 411.462 3.557 20 5 HHBDMN CC(C)(C)c1nc2ccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2[nH]1 ZINC000032465406 966262663 /nfs/dbraw/zinc/26/26/63/966262663.db2.gz CMULSHLBMZWFHI-UHFFFAOYSA-N 0 1 409.446 3.527 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(OCc3ccccn3)c2)c1C ZINC000036760539 966450465 /nfs/dbraw/zinc/45/04/65/966450465.db2.gz BXUMXFAIZPJSNO-UHFFFAOYSA-N 0 1 413.455 3.986 20 5 HHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000061730941 966532327 /nfs/dbraw/zinc/53/23/27/966532327.db2.gz YGHDGSURHOEVLW-AWEZNQCLSA-N 0 1 406.851 3.565 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000043127194 966910980 /nfs/dbraw/zinc/91/09/80/966910980.db2.gz OLUBHGIEDJXGRH-SFHVURJKSA-N 0 1 414.462 3.571 20 5 HHBDMN Cc1cccc(N2CCN(CCCNC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000043346912 966956614 /nfs/dbraw/zinc/95/66/14/966956614.db2.gz KHLJRNQMRBVLJN-UHFFFAOYSA-N 0 1 411.506 3.545 20 5 HHBDMN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCN(Cc2ccccc2)CC1 ZINC000043727315 967020565 /nfs/dbraw/zinc/02/05/65/967020565.db2.gz ZWVUXHRCBVOHAG-UHFFFAOYSA-N 0 1 408.502 3.543 20 5 HHBDMN COc1ccc(CSCC(=O)N2CCN(CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000064126111 967057134 /nfs/dbraw/zinc/05/71/34/967057134.db2.gz GBLRNPRRCILVIL-UHFFFAOYSA-N 0 1 421.563 3.561 20 5 HHBDMN Cc1ccc(Sc2ccc(CNC[C@H]3CCCS3(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000553919999 1013701049 /nfs/dbraw/zinc/70/10/49/1013701049.db2.gz WIIHEACDGGINJC-QGZVFWFLSA-N 0 1 406.529 3.721 20 5 HHBDMN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC000538147216 1013707041 /nfs/dbraw/zinc/70/70/41/1013707041.db2.gz ISPLUXNZKIWXIG-GFCCVEGCSA-N 0 1 404.264 3.597 20 5 HHBDMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000044653508 967269851 /nfs/dbraw/zinc/26/98/51/967269851.db2.gz ODCDKLAIORMBKW-UHFFFAOYSA-N 0 1 413.865 3.519 20 5 HHBDMN C[C@@H](NCC(=O)NCCc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000538174728 1013733252 /nfs/dbraw/zinc/73/32/52/1013733252.db2.gz FNUJFHGNTAUJSP-CYBMUJFWSA-N 0 1 411.380 3.503 20 5 HHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1OC ZINC000542915730 1013754835 /nfs/dbraw/zinc/75/48/35/1013754835.db2.gz NDAWTUZVAODFEQ-SJORKVTESA-N 0 1 416.522 3.826 20 5 HHBDMN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000538207604 1013761374 /nfs/dbraw/zinc/76/13/74/1013761374.db2.gz HKZQNUNJOVLOFJ-CYBMUJFWSA-N 0 1 416.865 3.664 20 5 HHBDMN O=C(CN[C@@H](COc1ccccc1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000538217075 1013769137 /nfs/dbraw/zinc/76/91/37/1013769137.db2.gz ZBYBTSADHFGMIU-QFIPXVFZSA-N 0 1 417.465 3.894 20 5 HHBDMN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000538276067 1013815390 /nfs/dbraw/zinc/81/53/90/1013815390.db2.gz CUCBBMUKLHPDHV-INIZCTEOSA-N 0 1 421.501 3.673 20 5 HHBDMN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000065787238 968643142 /nfs/dbraw/zinc/64/31/42/968643142.db2.gz OMLSQQCAQRTFPL-UHFFFAOYSA-N 0 1 412.356 3.642 20 5 HHBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000065856858 968682876 /nfs/dbraw/zinc/68/28/76/968682876.db2.gz NWWUGEKGKIVBHI-LJQANCHMSA-N 0 1 405.414 3.916 20 5 HHBDMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000538311834 1013842743 /nfs/dbraw/zinc/84/27/43/1013842743.db2.gz CYGJCXHVEHAAQJ-UHFFFAOYSA-N 0 1 417.425 3.829 20 5 HHBDMN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000105875839 969269601 /nfs/dbraw/zinc/26/96/01/969269601.db2.gz KOALLDAMUOHNLU-UHFFFAOYSA-N 0 1 400.523 3.532 20 5 HHBDMN Cc1cc(NC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000195662404 969940221 /nfs/dbraw/zinc/94/02/21/969940221.db2.gz RXLLWZXUERRXFO-IRXDYDNUSA-N 0 1 412.490 3.834 20 5 HHBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000195684370 969954407 /nfs/dbraw/zinc/95/44/07/969954407.db2.gz FHRYHTFKMUBRNS-UHFFFAOYSA-N 0 1 402.882 3.684 20 5 HHBDMN CCNC(=O)c1ccc(CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 ZINC000236979513 970199195 /nfs/dbraw/zinc/19/91/95/970199195.db2.gz KGJAIBQWZVNELT-UHFFFAOYSA-N 0 1 409.442 3.903 20 5 HHBDMN COc1ccc(CN[C@@H](C)C(=O)NC(C)(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237243999 970247990 /nfs/dbraw/zinc/24/79/90/970247990.db2.gz UIGNPOXFLZLXKM-HNNXBMFYSA-N 0 1 415.490 3.575 20 5 HHBDMN COc1ccc(-c2ccc(CN[C@@H](Cc3ccccc3)C(=O)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000237438796 970288707 /nfs/dbraw/zinc/28/87/07/970288707.db2.gz VMJQVXVHQLYHJD-FQEVSTJZSA-N 0 1 423.469 3.653 20 5 HHBDMN CCCOc1ccc([C@@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000261395978 970649627 /nfs/dbraw/zinc/64/96/27/970649627.db2.gz JERUSFIWOFOFKZ-BEFAXECRSA-N 0 1 413.474 3.848 20 5 HHBDMN COc1ccccc1[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])N1CCCCC1 ZINC000301070675 970733675 /nfs/dbraw/zinc/73/36/75/970733675.db2.gz HAOAYFDMOYQMPO-HXUWFJFHSA-N 0 1 423.473 3.891 20 5 HHBDMN O=C(NCc1ccccc1[N+](=O)[O-])NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000410132437 973619630 /nfs/dbraw/zinc/61/96/30/973619630.db2.gz CONVKQDGJNIQNG-LJQANCHMSA-N 0 1 402.882 3.885 20 5 HHBDMN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000426725425 974617893 /nfs/dbraw/zinc/61/78/93/974617893.db2.gz BXEFVPBEKJHXJD-SFHVURJKSA-N 0 1 422.466 3.985 20 5 HHBDMN O=C([O-])[C@@H](CN1CCCc2ccccc21)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426736143 974624107 /nfs/dbraw/zinc/62/41/07/974624107.db2.gz WLTNYFWHLRRYOG-HXUWFJFHSA-N 0 1 421.453 3.850 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1[N+](=O)[O-] ZINC000427482494 975140780 /nfs/dbraw/zinc/14/07/80/975140780.db2.gz WQCJUDXALLQFCZ-GFCCVEGCSA-N 0 1 403.508 3.626 20 5 HHBDMN C[C@H](O)CN1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000428418693 975736445 /nfs/dbraw/zinc/73/64/45/975736445.db2.gz LELBMCZTYUOCNX-HNNXBMFYSA-N 0 1 405.882 3.539 20 5 HHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430292349 977452541 /nfs/dbraw/zinc/45/25/41/977452541.db2.gz ISSVMULUSVJYIQ-WBVHZDCISA-N 0 1 421.457 3.691 20 5 HHBDMN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000430360781 977502299 /nfs/dbraw/zinc/50/22/99/977502299.db2.gz AYVDBAVIQLVUMQ-UHFFFAOYSA-N 0 1 412.471 3.737 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000430363045 977503661 /nfs/dbraw/zinc/50/36/61/977503661.db2.gz GJKYYNFKJPDNGK-UHFFFAOYSA-N 0 1 412.471 3.904 20 5 HHBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000430424625 977537429 /nfs/dbraw/zinc/53/74/29/977537429.db2.gz ITMNXGSFLUEOPT-DOTOQJQBSA-N 0 1 421.240 3.508 20 5 HHBDMN C[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000430443737 977554473 /nfs/dbraw/zinc/55/44/73/977554473.db2.gz DQEYGAJSJLILKG-RHSMWYFYSA-N 0 1 417.487 3.656 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1C ZINC000431915291 978597857 /nfs/dbraw/zinc/59/78/57/978597857.db2.gz AGZGIEMKPSBHKK-MJGOQNOKSA-N 0 1 417.531 3.543 20 5 HHBDMN C[C@H](N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000432333866 978764870 /nfs/dbraw/zinc/76/48/70/978764870.db2.gz IAFRKCNLKBPFBB-YVEFUNNKSA-N 0 1 404.264 3.813 20 5 HHBDMN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432461044 978824344 /nfs/dbraw/zinc/82/43/44/978824344.db2.gz HAAGAKORIFAAFT-OKILXGFUSA-N 0 1 411.458 3.979 20 5 HHBDMN COc1cc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1Cl ZINC000432769873 978968374 /nfs/dbraw/zinc/96/83/74/978968374.db2.gz QINRFQTUXWAMGW-UHFFFAOYSA-N 0 1 422.793 3.967 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)c(OC)cc1C ZINC000432963126 979026423 /nfs/dbraw/zinc/02/64/23/979026423.db2.gz ZGGXCIKTHVPIPO-UHFFFAOYSA-N 0 1 400.840 3.512 20 5 HHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CO)(c2ccccc2)CC1 ZINC000433043299 979050199 /nfs/dbraw/zinc/05/01/99/979050199.db2.gz IEYJPNOGBWOYSI-INIZCTEOSA-N 0 1 408.458 3.732 20 5 HHBDMN CC[C@@H](c1nnc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])s1)c1ccccc1 ZINC000433770676 979562109 /nfs/dbraw/zinc/56/21/09/979562109.db2.gz IABQXAABPOYXBO-GFCCVEGCSA-N 0 1 400.464 4.087 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1[N+](=O)[O-] ZINC000434358752 980113785 /nfs/dbraw/zinc/11/37/85/980113785.db2.gz IDCYVGMRQYCDHG-LBPRGKRZSA-N 0 1 403.508 3.796 20 5 HHBDMN CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1Cc2ccccc2C1 ZINC000434718128 980352514 /nfs/dbraw/zinc/35/25/14/980352514.db2.gz LKPFJJYRRGLQBK-UHFFFAOYSA-N 0 1 408.483 3.756 20 5 HHBDMN C[C@@H](CN1CCOCC1)N(C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000435056378 980601086 /nfs/dbraw/zinc/60/10/86/980601086.db2.gz MJNVTFWLKIVCNG-INIZCTEOSA-N 0 1 403.454 3.679 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000435196647 980714420 /nfs/dbraw/zinc/71/44/20/980714420.db2.gz FRVKQBGJXDMAOJ-UHFFFAOYSA-N 0 1 400.460 3.780 20 5 HHBDMN Cc1c(NC(=O)N2CCN(C3CCCC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435322565 980781347 /nfs/dbraw/zinc/78/13/47/980781347.db2.gz DWXMUKPIAAJCBO-UHFFFAOYSA-N 0 1 411.300 3.758 20 5 HHBDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000435495816 980902385 /nfs/dbraw/zinc/90/23/85/980902385.db2.gz HVXWVVSGMLJGCK-UHFFFAOYSA-N 0 1 406.486 3.632 20 5 HHBDMN C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCCC[C@H]1C ZINC000436096176 981197886 /nfs/dbraw/zinc/19/78/86/981197886.db2.gz FAQLULQELJFVDB-KGLIPLIRSA-N 0 1 413.468 3.952 20 5 HHBDMN C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@@H](C)C1 ZINC000436103158 981201464 /nfs/dbraw/zinc/20/14/64/981201464.db2.gz UAVWWJZQHGLZNI-KGLIPLIRSA-N 0 1 413.468 3.810 20 5 HHBDMN CN(C)CCN(Cc1cccs1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000438533387 982870572 /nfs/dbraw/zinc/87/05/72/982870572.db2.gz RLXSSVXFBMNKMY-UHFFFAOYSA-N 0 1 419.550 3.807 20 5 HHBDMN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000461371984 983046747 /nfs/dbraw/zinc/04/67/47/983046747.db2.gz DWKAUJDFJHICPG-ZDUSSCGKSA-N 0 1 413.865 3.644 20 5 HHBDMN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000461371983 983046809 /nfs/dbraw/zinc/04/68/09/983046809.db2.gz DWKAUJDFJHICPG-CYBMUJFWSA-N 0 1 413.865 3.644 20 5 HHBDMN COc1cc(F)ccc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000438798874 983077944 /nfs/dbraw/zinc/07/79/44/983077944.db2.gz ZBWFFUCJRHGMED-UHFFFAOYSA-N 0 1 419.228 3.614 20 5 HHBDMN Cc1ccc(Br)cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000439190429 983301196 /nfs/dbraw/zinc/30/11/96/983301196.db2.gz VIHUNNUIMPLQRI-UHFFFAOYSA-N 0 1 402.208 3.703 20 5 HHBDMN CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000439466930 983422238 /nfs/dbraw/zinc/42/22/38/983422238.db2.gz IFEXWAULBJVJFS-YCRPNKLZSA-N 0 1 414.462 3.589 20 5 HHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000439733997 983519017 /nfs/dbraw/zinc/51/90/17/983519017.db2.gz PEOZYMVFVGYFEW-CYBMUJFWSA-N 0 1 422.407 3.964 20 5 HHBDMN COc1cc(C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000439989816 983607807 /nfs/dbraw/zinc/60/78/07/983607807.db2.gz SBVJJTHTENFUOD-UHFFFAOYSA-N 0 1 419.522 3.585 20 5 HHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000440171749 983668658 /nfs/dbraw/zinc/66/86/58/983668658.db2.gz BQBIYLOIKQMAJG-KRWDZBQOSA-N 0 1 423.517 3.889 20 5 HHBDMN CCCOc1ccc2c(c1)CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000441075283 984057215 /nfs/dbraw/zinc/05/72/15/984057215.db2.gz ZQLZBRDFHJQLRJ-UHFFFAOYSA-N 0 1 413.474 3.779 20 5 HHBDMN Cc1ccc([C@H](Cn2ccnc2)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000441386817 984224206 /nfs/dbraw/zinc/22/42/06/984224206.db2.gz XBIIFVNFNOGIAZ-YADHBBJMSA-N 0 1 419.485 3.545 20 5 HHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441659137 984379225 /nfs/dbraw/zinc/37/92/25/984379225.db2.gz OEMDHJUNEURRAU-KNKQGSTJSA-N 0 1 409.486 3.941 20 5 HHBDMN Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OCC1CCOCC1 ZINC000442314462 984812008 /nfs/dbraw/zinc/81/20/08/984812008.db2.gz HQTIYDUGTAOJHX-UHFFFAOYSA-N 0 1 406.460 3.509 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000462164264 985140104 /nfs/dbraw/zinc/14/01/04/985140104.db2.gz ZNCJWIUFKODGHK-ZDUSSCGKSA-N 0 1 422.334 3.541 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccnc(Sc3ccccn3)c2)cc1[N+](=O)[O-] ZINC000462199396 985182346 /nfs/dbraw/zinc/18/23/46/985182346.db2.gz OHRRQXWSHBXYRP-UHFFFAOYSA-N 0 1 402.457 3.645 20 5 HHBDMN C[C@@H](CCc1cccn1C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462400215 985378021 /nfs/dbraw/zinc/37/80/21/985378021.db2.gz DWOXRFXHEWCOJD-JTQLQIEISA-N 0 1 406.291 3.540 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCSc1ccccc1 ZINC000462467541 985426764 /nfs/dbraw/zinc/42/67/64/985426764.db2.gz RDEDUQLCBORPSU-UHFFFAOYSA-N 0 1 407.300 3.972 20 5 HHBDMN CC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000462599990 985545176 /nfs/dbraw/zinc/54/51/76/985545176.db2.gz DBTIAHRUDKUSLL-GFCCVEGCSA-N 0 1 421.306 3.682 20 5 HHBDMN CC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000462599991 985545439 /nfs/dbraw/zinc/54/54/39/985545439.db2.gz DBTIAHRUDKUSLL-LBPRGKRZSA-N 0 1 421.306 3.682 20 5 HHBDMN COc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(C)c(OC)c1 ZINC000443414122 985569959 /nfs/dbraw/zinc/56/99/59/985569959.db2.gz BSHHGAZJUNKOFM-UHFFFAOYSA-N 0 1 400.840 3.683 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@H](O)C[C@H]3c3cc(F)ccc3F)o2)c1 ZINC000443590087 985765878 /nfs/dbraw/zinc/76/58/78/985765878.db2.gz HZNRNDUUVCLARY-APWZRJJASA-N 0 1 415.396 3.878 20 5 HHBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(C)(C)C)cc1 ZINC000462846288 985770829 /nfs/dbraw/zinc/77/08/29/985770829.db2.gz AKTBKWBSLCBAPT-HNNXBMFYSA-N 0 1 406.504 3.897 20 5 HHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443660262 985860140 /nfs/dbraw/zinc/86/01/40/985860140.db2.gz QNTGWVKARKZVOO-OAHLLOKOSA-N 0 1 417.849 3.700 20 5 HHBDMN CNc1c(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000462980421 985927851 /nfs/dbraw/zinc/92/78/51/985927851.db2.gz IYWQLYYBIQSNMI-OAHLLOKOSA-N 0 1 422.407 3.660 20 5 HHBDMN O=C(NCC1(N2CCSCC2)CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463111830 986074367 /nfs/dbraw/zinc/07/43/67/986074367.db2.gz QOGXTRMYDFXUES-UHFFFAOYSA-N 0 1 417.453 3.705 20 5 HHBDMN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000468486545 986185211 /nfs/dbraw/zinc/18/52/11/986185211.db2.gz HOHWCBPTKKEQGD-SFHVURJKSA-N 0 1 413.468 3.810 20 5 HHBDMN CNC(=O)N[C@@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000468679982 986390282 /nfs/dbraw/zinc/39/02/82/986390282.db2.gz AWBMEJQSNBAEIA-OAHLLOKOSA-N 0 1 404.854 3.544 20 5 HHBDMN COc1cccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N(C)C)c1 ZINC000463435599 986411727 /nfs/dbraw/zinc/41/17/27/986411727.db2.gz UJYXODSOZJCLQG-KRWDZBQOSA-N 0 1 411.380 3.655 20 5 HHBDMN COc1ccc(Br)c(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000463446643 986426554 /nfs/dbraw/zinc/42/65/54/986426554.db2.gz XKPLOUMMKHIDGL-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN CCc1[nH]nc(C(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000444268799 986463628 /nfs/dbraw/zinc/46/36/28/986463628.db2.gz ONBZEZRABMCXPR-SFHVURJKSA-N 0 1 415.400 3.805 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc(-c3csc(C)n3)cc2)ccc1[N+](=O)[O-] ZINC000468766714 986480003 /nfs/dbraw/zinc/48/00/03/986480003.db2.gz ATTMYZLLOCBTNB-UHFFFAOYSA-N 0 1 405.457 3.836 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc3nc(C4CC4)sc3c2)ccc1[N+](=O)[O-] ZINC000468791435 986501836 /nfs/dbraw/zinc/50/18/36/986501836.db2.gz CCGXVCTXNAMQEK-UHFFFAOYSA-N 0 1 405.457 3.891 20 5 HHBDMN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1C1CC1 ZINC000463801750 986793163 /nfs/dbraw/zinc/79/31/63/986793163.db2.gz SERLKXHUJGIMAW-GFCCVEGCSA-N 0 1 415.475 3.989 20 5 HHBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 ZINC000444763913 986924788 /nfs/dbraw/zinc/92/47/88/986924788.db2.gz VXBNSZXUIQWKTE-JTQLQIEISA-N 0 1 419.322 3.543 20 5 HHBDMN COc1ccc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000469496497 987175866 /nfs/dbraw/zinc/17/58/66/987175866.db2.gz VMVLKAWNALOQDD-MRXNPFEDSA-N 0 1 411.380 3.655 20 5 HHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccoc4)no3)cc2)c1 ZINC000445461933 987527557 /nfs/dbraw/zinc/52/75/57/987527557.db2.gz YUSYVLWLQCMUCX-UHFFFAOYSA-N 0 1 412.383 3.706 20 5 HHBDMN Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C)N3CCC(Cc4ccccc4)CC3)n2)n1C ZINC000445620523 987691706 /nfs/dbraw/zinc/69/17/06/987691706.db2.gz OBVBEHIWNMFCNY-AWEZNQCLSA-N 0 1 410.478 3.702 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000445646805 987720942 /nfs/dbraw/zinc/72/09/42/987720942.db2.gz GMFPIFBIYBPNCS-JOCHJYFZSA-N 0 1 411.502 3.879 20 5 HHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000470185024 988100771 /nfs/dbraw/zinc/10/07/71/988100771.db2.gz VWAILYCBSXEPMY-QGOAFFKASA-N 0 1 411.477 3.914 20 5 HHBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470433314 988401044 /nfs/dbraw/zinc/40/10/44/988401044.db2.gz UEAVJWMYTDDVLY-UHFFFAOYSA-N 0 1 403.345 3.704 20 5 HHBDMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000464575521 988751656 /nfs/dbraw/zinc/75/16/56/988751656.db2.gz NBGLNBWLDNCCBR-UHFFFAOYSA-N 0 1 400.192 3.967 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000464608471 988789974 /nfs/dbraw/zinc/78/99/74/988789974.db2.gz MYFZVTZLDPGZMA-GXTWGEPZSA-N 0 1 403.483 3.541 20 5 HHBDMN Cc1cccc(CN(Cc2ccccn2)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000471181514 989311387 /nfs/dbraw/zinc/31/13/87/989311387.db2.gz MPHFTQNUGYIFJO-JOCHJYFZSA-N 0 1 407.470 3.740 20 5 HHBDMN COc1ccc(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000471860782 990032753 /nfs/dbraw/zinc/03/27/53/990032753.db2.gz YKQCVKCSLVIYKR-AWEZNQCLSA-N 0 1 409.364 3.517 20 5 HHBDMN Cc1sc(S(=O)(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000467021280 992329159 /nfs/dbraw/zinc/32/91/59/992329159.db2.gz FTUBBPDQMYMWOP-GFCCVEGCSA-N 0 1 416.349 3.825 20 5 HHBDMN Cc1sc(S(=O)(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1[N+](=O)[O-] ZINC000467044307 992353390 /nfs/dbraw/zinc/35/33/90/992353390.db2.gz GSRISGDMTJCVMJ-CYBMUJFWSA-N 0 1 420.516 3.718 20 5 HHBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(COc3ccccc3)n2)nc1-c1ccccc1 ZINC000472675389 993598496 /nfs/dbraw/zinc/59/84/96/993598496.db2.gz DPCDYEPNAGSRQG-UHFFFAOYSA-N 0 1 402.414 3.966 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000480841842 993716750 /nfs/dbraw/zinc/71/67/50/993716750.db2.gz MMWPHVNRQSJJPD-CYBMUJFWSA-N 0 1 417.270 3.963 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(c2cccc(F)c2)C2CCN(C)CC2)c1C ZINC000480955380 993796001 /nfs/dbraw/zinc/79/60/01/993796001.db2.gz BWBJYCSPJGKEDX-UHFFFAOYSA-N 0 1 421.494 3.640 20 5 HHBDMN Cc1ccc(C)c(S(=O)(=O)N(c2cccc(F)c2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000481007093 993850192 /nfs/dbraw/zinc/85/01/92/993850192.db2.gz CYUBRSVTYUFISF-UHFFFAOYSA-N 0 1 421.494 3.640 20 5 HHBDMN Cc1[nH]nc(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000472971233 993906353 /nfs/dbraw/zinc/90/63/53/993906353.db2.gz XEXSOAPAMXAVOB-UHFFFAOYSA-N 0 1 413.261 3.755 20 5 HHBDMN COc1ccc(NC(=O)CN[C@H](C)[C@H](OC)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000481387819 994219137 /nfs/dbraw/zinc/21/91/37/994219137.db2.gz CMOMNSXMWJUGMC-BLVKFPJESA-N 0 1 407.854 3.561 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cc(Br)c(F)cc2C)ccc1[N+](=O)[O-] ZINC000473421550 994272951 /nfs/dbraw/zinc/27/29/51/994272951.db2.gz QMMVEZKSLCYXSB-UHFFFAOYSA-N 0 1 419.228 3.614 20 5 HHBDMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000481871093 994733738 /nfs/dbraw/zinc/73/37/38/994733738.db2.gz UVYAIZXKDUKODW-UYAOXDASSA-N 0 1 415.515 3.517 20 5 HHBDMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000481883742 994748414 /nfs/dbraw/zinc/74/84/14/994748414.db2.gz RPFWUBNEHHDGHD-IEBWSBKVSA-N 0 1 415.515 3.517 20 5 HHBDMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000481893459 994762731 /nfs/dbraw/zinc/76/27/31/994762731.db2.gz XDPXCRQOQZPZIC-IEBWSBKVSA-N 0 1 415.515 3.517 20 5 HHBDMN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1 ZINC000481946005 994824478 /nfs/dbraw/zinc/82/44/78/994824478.db2.gz KQIYEPLVQNFVPJ-CQSZACIVSA-N 0 1 405.476 3.541 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000481957277 994841505 /nfs/dbraw/zinc/84/15/05/994841505.db2.gz FTFVCBPYJKENGU-UHFFFAOYSA-N 0 1 413.455 3.986 20 5 HHBDMN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000482051964 994977812 /nfs/dbraw/zinc/97/78/12/994977812.db2.gz RSBDTQXXDRPFDE-UHFFFAOYSA-N 0 1 421.818 3.894 20 5 HHBDMN COC(=O)COc1ccc(CN[C@@H]2CCCOc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000474003964 994993571 /nfs/dbraw/zinc/99/35/71/994993571.db2.gz ACLWYXBYQNXGHH-MRXNPFEDSA-N 0 1 420.849 3.804 20 5 HHBDMN COc1cccc([C@@H]2[C@H](NC(=O)CCc3cccc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000482068643 995002171 /nfs/dbraw/zinc/00/21/71/995002171.db2.gz AFZQLAYTCGFIKW-FYYLOGMGSA-N 0 1 409.486 3.630 20 5 HHBDMN C[C@H](Nc1ccc(C(=O)Nc2cc(CN(C)C)ccn2)cc1[N+](=O)[O-])c1ccccn1 ZINC000482335219 995314915 /nfs/dbraw/zinc/31/49/15/995314915.db2.gz PQTPETUDMIARIK-HNNXBMFYSA-N 0 1 420.473 3.872 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000474429969 995393087 /nfs/dbraw/zinc/39/30/87/995393087.db2.gz WWIHRBDWIZVOBW-UHFFFAOYSA-N 0 1 402.426 3.529 20 5 HHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482880924 995813465 /nfs/dbraw/zinc/81/34/65/995813465.db2.gz CEOYYOAXUFXPHZ-MRXNPFEDSA-N 0 1 405.454 3.974 20 5 HHBDMN Cc1c(NC(=O)CCN[C@H](C)c2ccc(Br)cn2)cccc1[N+](=O)[O-] ZINC000482977573 995895668 /nfs/dbraw/zinc/89/56/68/995895668.db2.gz FUZISUNGNGTUFJ-GFCCVEGCSA-N 0 1 407.268 3.740 20 5 HHBDMN CCCOc1ccc(C(C)(C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000483260893 996067236 /nfs/dbraw/zinc/06/72/36/996067236.db2.gz DTHYZWPFNXAUSK-UHFFFAOYSA-N 0 1 406.504 3.682 20 5 HHBDMN CCCOc1ccc(C(C)(C)NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000483283689 996080469 /nfs/dbraw/zinc/08/04/69/996080469.db2.gz IUCYFDZGOKDEJI-UHFFFAOYSA-N 0 1 401.463 3.856 20 5 HHBDMN CCOc1cc(N2CCN(Cc3cc4ccccc4[nH]c3=O)CC2)ccc1[N+](=O)[O-] ZINC000475496788 996180121 /nfs/dbraw/zinc/18/01/21/996180121.db2.gz WBUQKRJZUPTDAT-UHFFFAOYSA-N 0 1 408.458 3.570 20 5 HHBDMN CC[C@H](C)N(CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000475536685 996207782 /nfs/dbraw/zinc/20/77/82/996207782.db2.gz KLSNSOYRDFTTNK-ZDUSSCGKSA-N 0 1 413.400 3.549 20 5 HHBDMN CCOC(=O)C1(COC)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000475628613 996260482 /nfs/dbraw/zinc/26/04/82/996260482.db2.gz WQRBSAFGKGZGTN-UHFFFAOYSA-N 0 1 402.447 3.647 20 5 HHBDMN COC(=O)COc1ccc(CN2C[C@H](C)C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475720734 996322453 /nfs/dbraw/zinc/32/24/53/996322453.db2.gz AWFOAFMRGGZUSA-RDTXWAMCSA-N 0 1 402.422 3.869 20 5 HHBDMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000484187346 996624170 /nfs/dbraw/zinc/62/41/70/996624170.db2.gz JQUWIGZUKSDCFS-IBGZPJMESA-N 0 1 418.413 3.761 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)ccc1[N+](=O)[O-] ZINC000484218496 996641592 /nfs/dbraw/zinc/64/15/92/996641592.db2.gz HYRQFBTWDPNMHR-UHFFFAOYSA-N 0 1 410.448 3.545 20 5 HHBDMN CC(=O)c1cccc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000485395479 997824219 /nfs/dbraw/zinc/82/42/19/997824219.db2.gz FSVFVYDVLVRENX-UHFFFAOYSA-N 0 1 413.249 3.669 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)N1CCCCC1 ZINC000477454048 998161311 /nfs/dbraw/zinc/16/13/11/998161311.db2.gz GVVURHMBSKKQSX-FQEVSTJZSA-N 0 1 415.465 3.628 20 5 HHBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)[nH]1 ZINC000485699160 998162611 /nfs/dbraw/zinc/16/26/11/998162611.db2.gz WTGVEHDAUZQTOW-UHFFFAOYSA-N 0 1 406.464 3.811 20 5 HHBDMN CN1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477493494 998215143 /nfs/dbraw/zinc/21/51/43/998215143.db2.gz WUBLELLHHOTXBI-BBATYDOGSA-N 0 1 424.835 3.531 20 5 HHBDMN CSc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1[N+](=O)[O-] ZINC000485748569 998220281 /nfs/dbraw/zinc/22/02/81/998220281.db2.gz ZZIGNBZPCNPONP-UHFFFAOYSA-N 0 1 400.504 3.629 20 5 HHBDMN O=C(CNC1(c2cccc(C(F)(F)F)c2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000477510181 998230069 /nfs/dbraw/zinc/23/00/69/998230069.db2.gz QTVZUFVAIXWNQI-UHFFFAOYSA-N 0 1 423.347 3.560 20 5 HHBDMN CC(C)c1nnc(-c2ccccc2NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[nH]1 ZINC000485889515 998343341 /nfs/dbraw/zinc/34/33/41/998343341.db2.gz PKTOIZJINHWSDY-UHFFFAOYSA-N 0 1 401.373 3.963 20 5 HHBDMN COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(C)c([N+](=O)[O-])c1 ZINC000486005886 998450099 /nfs/dbraw/zinc/45/00/99/998450099.db2.gz QUTXYADCZHSBNE-UHFFFAOYSA-N 0 1 419.242 3.797 20 5 HHBDMN C[C@H]1CN(CCCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000486455972 998778012 /nfs/dbraw/zinc/77/80/12/998778012.db2.gz DHSDLYHVFRLNLK-IRXDYDNUSA-N 0 1 412.490 3.568 20 5 HHBDMN Nc1c(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000486636366 998868903 /nfs/dbraw/zinc/86/89/03/998868903.db2.gz DJKCQIXXFNYJGP-UHFFFAOYSA-N 0 1 422.407 3.544 20 5 HHBDMN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCN1Cc1ccccc1 ZINC000486732321 998912991 /nfs/dbraw/zinc/91/29/91/998912991.db2.gz CACRRMXZSVEPFF-SFHVURJKSA-N 0 1 407.392 3.894 20 5 HHBDMN CSc1cccc([C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccc(F)c(F)c2)c1 ZINC000487289301 999125635 /nfs/dbraw/zinc/12/56/35/999125635.db2.gz KMRFRFUYKSYGAP-MRXNPFEDSA-N 0 1 404.398 3.837 20 5 HHBDMN Cc1ccc(-n2cnc3c2CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C3)cc1 ZINC000487984355 999336624 /nfs/dbraw/zinc/33/66/24/999336624.db2.gz BGFQJJAIKIRFTN-UHFFFAOYSA-N 0 1 419.485 3.784 20 5 HHBDMN CC(C)CCSc1ccc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000488779829 999605380 /nfs/dbraw/zinc/60/53/80/999605380.db2.gz VNKMDUWHESRAKX-KRWDZBQOSA-N 0 1 421.563 3.527 20 5 HHBDMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 ZINC000489023745 999675172 /nfs/dbraw/zinc/67/51/72/999675172.db2.gz JEALKDISYDYCIA-UKRRQHHQSA-N 0 1 408.462 3.555 20 5 HHBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000480039252 999696985 /nfs/dbraw/zinc/69/69/85/999696985.db2.gz GHXXIJSPYJUREB-UHFFFAOYSA-N 0 1 411.418 3.706 20 5 HHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)n[nH]1 ZINC000489235941 999727856 /nfs/dbraw/zinc/72/78/56/999727856.db2.gz UYJSIRWFYHDZIB-VXGBXAGGSA-N 0 1 407.449 3.943 20 5 HHBDMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000489522540 999783571 /nfs/dbraw/zinc/78/35/71/999783571.db2.gz WBQGTLUAXNMOLZ-SFHVURJKSA-N 0 1 419.485 3.517 20 5 HHBDMN COc1cccc2c1CCN(Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])CC2 ZINC000489558599 999792062 /nfs/dbraw/zinc/79/20/62/999792062.db2.gz OPJSGNWOBKRRBD-UHFFFAOYSA-N 0 1 422.428 3.857 20 5 HHBDMN CN(C)[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(F)cc1 ZINC000489707074 999821776 /nfs/dbraw/zinc/82/17/76/999821776.db2.gz DJEBJKBBLCZKRQ-HXUWFJFHSA-N 0 1 400.454 3.711 20 5 HHBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480685554 999858986 /nfs/dbraw/zinc/85/89/86/999858986.db2.gz AHTGZRJPGXXOGI-LHSJRXKWSA-N 0 1 411.437 3.564 20 5 HHBDMN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(-c2cccc(Cl)c2)no1 ZINC000490371008 999946612 /nfs/dbraw/zinc/94/66/12/999946612.db2.gz SPKVFHVPRVDSOS-UHFFFAOYSA-N 0 1 410.777 3.941 20 5 HHBDMN Cc1oc(-c2cccs2)nc1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490380360 999948417 /nfs/dbraw/zinc/94/84/17/999948417.db2.gz WCVCXJIVOPVSON-UHFFFAOYSA-N 0 1 410.415 3.586 20 5 HHBDMN COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490397808 999950974 /nfs/dbraw/zinc/95/09/74/999950974.db2.gz LBNQDUIHHRHNDY-AWEZNQCLSA-N 0 1 407.430 3.837 20 5 HHBDMN CCOc1cc(CN2CCCN(c3cc(OC)cc(OC)c3)CC2)ccc1[N+](=O)[O-] ZINC000492696206 1000139343 /nfs/dbraw/zinc/13/93/43/1000139343.db2.gz MSNAGGNXEPXUDL-UHFFFAOYSA-N 0 1 415.490 3.723 20 5 HHBDMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000493932502 1000222259 /nfs/dbraw/zinc/22/22/59/1000222259.db2.gz BXUQTWSJTUZHEY-AEFFLSMTSA-N 0 1 411.792 3.585 20 5 HHBDMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000493932504 1000222382 /nfs/dbraw/zinc/22/23/82/1000222382.db2.gz BXUQTWSJTUZHEY-SJLPKXTDSA-N 0 1 411.792 3.585 20 5 HHBDMN CCOc1ccc([C@H](C)NCc2cccc(NC(=O)Cn3cccn3)c2)cc1[N+](=O)[O-] ZINC000504899321 1000435846 /nfs/dbraw/zinc/43/58/46/1000435846.db2.gz DWUVTPRPRHXJAT-INIZCTEOSA-N 0 1 423.473 3.680 20 5 HHBDMN CCOc1ccc([C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2cccc(Cl)c2)cc1 ZINC000495457565 1001019794 /nfs/dbraw/zinc/01/97/94/1001019794.db2.gz ZFPYJEAZPXXFJT-KRWDZBQOSA-N 0 1 400.822 3.889 20 5 HHBDMN O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505805403 1001035270 /nfs/dbraw/zinc/03/52/70/1001035270.db2.gz QIUTZXJTGRVCON-UHFFFAOYSA-N 0 1 402.300 3.970 20 5 HHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000506191485 1001269595 /nfs/dbraw/zinc/26/95/95/1001269595.db2.gz QHJOHKSYVOIXHD-UHFFFAOYSA-N 0 1 421.563 3.671 20 5 HHBDMN CC1CCN(c2ccc(C(=O)N[C@@H]3CN(C)C[C@H]3c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000497433535 1001362705 /nfs/dbraw/zinc/36/27/05/1001362705.db2.gz YAYAYACRIXNBPW-LEWJYISDSA-N 0 1 422.529 3.659 20 5 HHBDMN CCOc1cc(C(=O)Nc2nc(-c3cccs3)ns2)c([N+](=O)[O-])cc1OC ZINC000497975807 1001586970 /nfs/dbraw/zinc/58/69/70/1001586970.db2.gz IKPSDTITUXAOIR-UHFFFAOYSA-N 0 1 406.445 3.834 20 5 HHBDMN CCN([C@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000497981943 1001589562 /nfs/dbraw/zinc/58/95/62/1001589562.db2.gz HBMCDHXWQVSCTG-XLIONFOSSA-N 0 1 417.531 3.749 20 5 HHBDMN COc1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(Cl)c1OCC(N)=O ZINC000507174169 1001861649 /nfs/dbraw/zinc/86/16/49/1001861649.db2.gz QTYNJAQVIVEFDR-UHFFFAOYSA-N 0 1 421.881 3.532 20 5 HHBDMN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498898159 1002288556 /nfs/dbraw/zinc/28/85/56/1002288556.db2.gz YCXIPXKCEXMJQU-LLVKDONJSA-N 0 1 409.368 3.629 20 5 HHBDMN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H](C)CN1Cc1ccccc1 ZINC000500441848 1003720412 /nfs/dbraw/zinc/72/04/12/1003720412.db2.gz ZEVMAUZBLSTSQQ-IRXDYDNUSA-N 0 1 404.470 3.878 20 5 HHBDMN Cc1cccc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000511826609 1003796986 /nfs/dbraw/zinc/79/69/86/1003796986.db2.gz QYDVIGDPYXWYKN-INIZCTEOSA-N 0 1 407.392 3.926 20 5 HHBDMN O=C(CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000511830821 1003803806 /nfs/dbraw/zinc/80/38/06/1003803806.db2.gz SPCHPHVZNRGDOC-JFIYKMOQSA-N 0 1 409.442 3.530 20 5 HHBDMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000511834369 1003810176 /nfs/dbraw/zinc/81/01/76/1003810176.db2.gz YMACZRFCYWTSMM-INIZCTEOSA-N 0 1 411.355 3.757 20 5 HHBDMN O=[N+]([O-])c1ccc(CCCCNCc2ncc(I)s2)cc1 ZINC000511996828 1003943127 /nfs/dbraw/zinc/94/31/27/1003943127.db2.gz LWENFEWTZDZPIB-UHFFFAOYSA-N 0 1 417.272 3.768 20 5 HHBDMN Cc1c(Br)cc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000509694935 1004034908 /nfs/dbraw/zinc/03/49/08/1004034908.db2.gz DISWWMOXTFLXHO-HNNXBMFYSA-N 0 1 412.309 3.760 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCc3c(Br)cccc3[C@H]2C)c1[N+](=O)[O-] ZINC000509993964 1004253377 /nfs/dbraw/zinc/25/33/77/1004253377.db2.gz YKZXBJOZABKBTA-SNVBAGLBSA-N 0 1 407.268 3.963 20 5 HHBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000510245000 1004421987 /nfs/dbraw/zinc/42/19/87/1004421987.db2.gz SPPLNIHETVCGMN-XJKSGUPXSA-N 0 1 417.462 3.689 20 5 HHBDMN Cc1c(Br)cc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)cc1[N+](=O)[O-] ZINC000510534110 1004665990 /nfs/dbraw/zinc/66/59/90/1004665990.db2.gz QOEBQJFTRSSPOS-UHFFFAOYSA-N 0 1 402.208 3.703 20 5 HHBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c1 ZINC000510773892 1004845102 /nfs/dbraw/zinc/84/51/02/1004845102.db2.gz LFHUTUBZTCAMTG-INIZCTEOSA-N 0 1 402.499 3.567 20 5 HHBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000510883334 1004909770 /nfs/dbraw/zinc/90/97/70/1004909770.db2.gz OUYSKYPTWPSUAW-UHFFFAOYSA-N 0 1 414.481 3.582 20 5 HHBDMN CSc1ccc(C(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)cc1[N+](=O)[O-] ZINC000511174795 1005058733 /nfs/dbraw/zinc/05/87/33/1005058733.db2.gz RQQCXGSLFVWGLL-UHFFFAOYSA-N 0 1 417.878 3.728 20 5 HHBDMN O=C(CN[C@]1(Cc2ccc(Cl)cc2)CCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000502592409 1005131925 /nfs/dbraw/zinc/13/19/25/1005131925.db2.gz FRPQPDCICKKZSD-IBGZPJMESA-N 0 1 424.284 3.832 20 5 HHBDMN O=C(CCc1cc(Br)cs1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000502970433 1005297293 /nfs/dbraw/zinc/29/72/93/1005297293.db2.gz IOZHXNDZLLZHJD-UHFFFAOYSA-N 0 1 422.264 3.775 20 5 HHBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000534105183 1006080446 /nfs/dbraw/zinc/08/04/46/1006080446.db2.gz BAKYLUWEJGMPEB-UHFFFAOYSA-N 0 1 420.469 3.986 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)CN(C)c4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000534202382 1006194025 /nfs/dbraw/zinc/19/40/25/1006194025.db2.gz LGAGBCLJKWTXDB-INIZCTEOSA-N 0 1 407.474 3.622 20 5 HHBDMN COc1ccc(NC(=O)CSc2nc(C=Cc3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000514924949 1006207476 /nfs/dbraw/zinc/20/74/76/1006207476.db2.gz JOERDXUWRAIHPN-YFHOEESVSA-N 0 1 411.443 3.623 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000534215799 1006211541 /nfs/dbraw/zinc/21/15/41/1006211541.db2.gz RGGQGCTWLMITGC-JKSUJKDBSA-N 0 1 407.474 3.986 20 5 HHBDMN CN1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534222734 1006217774 /nfs/dbraw/zinc/21/77/74/1006217774.db2.gz SUQVNRKTDDHOMP-VLIAUNLRSA-N 0 1 421.856 3.575 20 5 HHBDMN CN1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534222732 1006217929 /nfs/dbraw/zinc/21/79/29/1006217929.db2.gz SUQVNRKTDDHOMP-JLTOFOAXSA-N 0 1 421.856 3.575 20 5 HHBDMN COc1ccc(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000534225277 1006221635 /nfs/dbraw/zinc/22/16/35/1006221635.db2.gz CSTJIAUFRMLEBU-KUHUBIRLSA-N 0 1 421.856 3.819 20 5 HHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000531501472 1006234507 /nfs/dbraw/zinc/23/45/07/1006234507.db2.gz FIXZLFQDRQZKTB-UHFFFAOYSA-N 0 1 424.501 3.981 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3c3n[nH]c(-c4ccccc4)n3)n2)cc1 ZINC000534580229 1006568482 /nfs/dbraw/zinc/56/84/82/1006568482.db2.gz XWYILAHTVFWHGS-QGZVFWFLSA-N 0 1 417.429 3.767 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)n2)cc1 ZINC000534580229 1006568493 /nfs/dbraw/zinc/56/84/93/1006568493.db2.gz XWYILAHTVFWHGS-QGZVFWFLSA-N 0 1 417.429 3.767 20 5 HHBDMN O=C(Nc1cccc(F)c1)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000515652214 1006575527 /nfs/dbraw/zinc/57/55/27/1006575527.db2.gz CAJIPIOWVRCTEE-UHFFFAOYSA-N 0 1 415.402 3.787 20 5 HHBDMN C[C@H](CC(=O)c1ccccc1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000534649566 1006628887 /nfs/dbraw/zinc/62/88/87/1006628887.db2.gz HLCVTEARTCLLOL-SNVBAGLBSA-N 0 1 417.270 3.841 20 5 HHBDMN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000534698830 1006683941 /nfs/dbraw/zinc/68/39/41/1006683941.db2.gz AQZDAJSMRPSHIB-UHFFFAOYSA-N 0 1 423.816 3.592 20 5 HHBDMN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538652854 1006923723 /nfs/dbraw/zinc/92/37/23/1006923723.db2.gz PCJHWFFYWYQSGR-CQSZACIVSA-N 0 1 401.442 3.920 20 5 HHBDMN CC(C)c1nn(-c2ccccc2)cc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000538736191 1007019088 /nfs/dbraw/zinc/01/90/88/1007019088.db2.gz HCRSVLQLBWHIFH-SFHVURJKSA-N 0 1 406.490 3.985 20 5 HHBDMN CN1CC[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534972038 1007029579 /nfs/dbraw/zinc/02/95/79/1007029579.db2.gz QJEHQWAJXNELSM-ACJLOTCBSA-N 0 1 406.845 3.591 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000538782265 1007063691 /nfs/dbraw/zinc/06/36/91/1007063691.db2.gz BSGSPSTUIFCMMI-QGZVFWFLSA-N 0 1 414.481 3.750 20 5 HHBDMN Cn1c(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000538791060 1007074525 /nfs/dbraw/zinc/07/45/25/1007074525.db2.gz FMCGYBKPOXKXST-UHFFFAOYSA-N 0 1 403.267 3.716 20 5 HHBDMN COC[C@@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000532737656 1007147930 /nfs/dbraw/zinc/14/79/30/1007147930.db2.gz VMHMWFMLRNNLDL-MOPGFXCFSA-N 0 1 403.866 3.943 20 5 HHBDMN COc1cccc(N2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 ZINC000532901695 1007278171 /nfs/dbraw/zinc/27/81/71/1007278171.db2.gz UIDYKHIDXWJIRU-UHFFFAOYSA-N 0 1 408.458 3.623 20 5 HHBDMN Cc1c([C@H](C)NCc2ccccc2CS(=O)(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000539044696 1007341578 /nfs/dbraw/zinc/34/15/78/1007341578.db2.gz UJYHUCBELHKLAG-KRWDZBQOSA-N 0 1 417.531 3.680 20 5 HHBDMN CC(C)(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000516993298 1007361885 /nfs/dbraw/zinc/36/18/85/1007361885.db2.gz UEOBDXIUFVYWNC-UHFFFAOYSA-N 0 1 416.421 3.912 20 5 HHBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000535349588 1007404387 /nfs/dbraw/zinc/40/43/87/1007404387.db2.gz KFCYMMHVKXCFGA-UHFFFAOYSA-N 0 1 410.449 3.539 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@H]2CCN(CCCc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000539121977 1007410572 /nfs/dbraw/zinc/41/05/72/1007410572.db2.gz LLQHRUVRJKPUML-XLIONFOSSA-N 0 1 411.502 3.878 20 5 HHBDMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000539322642 1007622067 /nfs/dbraw/zinc/62/20/67/1007622067.db2.gz FSJKHQJUEULXIP-UHFFFAOYSA-N 0 1 423.391 3.823 20 5 HHBDMN COc1cc(CN2CC3(CCOCC3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000517405736 1007630893 /nfs/dbraw/zinc/63/08/93/1007630893.db2.gz AVRYJEQAGJULQK-IBGZPJMESA-N 0 1 412.433 3.638 20 5 HHBDMN Cc1cc(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccccc2F)n1 ZINC000539380229 1007684576 /nfs/dbraw/zinc/68/45/76/1007684576.db2.gz NPNCDJFGDPTHRM-HNNXBMFYSA-N 0 1 411.437 3.826 20 5 HHBDMN C[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc2cc(Cl)ccc2o1 ZINC000539510166 1007819926 /nfs/dbraw/zinc/81/99/26/1007819926.db2.gz OXFMKHPNTJXIBS-GFCCVEGCSA-N 0 1 423.878 3.624 20 5 HHBDMN O=C(CCN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccccc1Br ZINC000533800005 1008119756 /nfs/dbraw/zinc/11/97/56/1008119756.db2.gz HAXSFIITGFEMCX-UHFFFAOYSA-N 0 1 404.264 3.744 20 5 HHBDMN CCOc1cc(CN2CCSC[C@H]2C)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000539831984 1008125167 /nfs/dbraw/zinc/12/51/67/1008125167.db2.gz ONZQDDAOEDTOPH-OAHLLOKOSA-N 0 1 420.535 3.515 20 5 HHBDMN COc1cc(CN2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000518061648 1008137591 /nfs/dbraw/zinc/13/75/91/1008137591.db2.gz IQIXUULXBWNFAN-AWEZNQCLSA-N 0 1 410.421 3.564 20 5 HHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000533828965 1008139074 /nfs/dbraw/zinc/13/90/74/1008139074.db2.gz YSLLOQOLNUQESL-ZFWWWQNUSA-N 0 1 409.450 3.512 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](c1cccnc1)C1CC1 ZINC000533914280 1008201400 /nfs/dbraw/zinc/20/14/00/1008201400.db2.gz SOPIJGLBMPHHJF-AWEZNQCLSA-N 0 1 402.259 3.726 20 5 HHBDMN COc1cc(CNCc2ccc(N(C)C)nc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000518268225 1008234164 /nfs/dbraw/zinc/23/41/64/1008234164.db2.gz HYQACBURQIFDSJ-UHFFFAOYSA-N 0 1 422.485 3.933 20 5 HHBDMN COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cn2)cc1[N+](=O)[O-] ZINC000518329479 1008263446 /nfs/dbraw/zinc/26/34/46/1008263446.db2.gz XQHCGLWEHDXIDA-UHFFFAOYSA-N 0 1 401.400 3.592 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000518332410 1008264347 /nfs/dbraw/zinc/26/43/47/1008264347.db2.gz YLVVUKHHMJMDSH-UHFFFAOYSA-N 0 1 403.382 3.789 20 5 HHBDMN O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518613304 1008365449 /nfs/dbraw/zinc/36/54/49/1008365449.db2.gz YKKAJQMQFHOXOH-SWLSCSKDSA-N 0 1 401.220 3.520 20 5 HHBDMN COc1ccc(S(=O)(=O)[N-]c2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c([N+](=O)[O-])c1 ZINC000540331231 1008383560 /nfs/dbraw/zinc/38/35/60/1008383560.db2.gz QLVMEOTURVAMCG-OAHLLOKOSA-N 0 1 419.503 3.779 20 5 HHBDMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000518790036 1008421778 /nfs/dbraw/zinc/42/17/78/1008421778.db2.gz SHLOZYRXGWQAEP-UHFFFAOYSA-N 0 1 414.437 3.801 20 5 HHBDMN CCCc1n[nH]c(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000518827956 1008436390 /nfs/dbraw/zinc/43/63/90/1008436390.db2.gz ZVYVEDPFXXSWCN-OAHLLOKOSA-N 0 1 405.524 3.535 20 5 HHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000543264740 1008837892 /nfs/dbraw/zinc/83/78/92/1008837892.db2.gz GJPRMJQKVULUAW-MRXNPFEDSA-N 0 1 405.907 3.731 20 5 HHBDMN C[C@@H](Nc1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000546150285 1009181053 /nfs/dbraw/zinc/18/10/53/1009181053.db2.gz COECBBHIYPIHSP-GFCCVEGCSA-N 0 1 407.434 3.801 20 5 HHBDMN C[C@@H](Nc1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1[N+](=O)[O-])c1ccccn1 ZINC000546150285 1009181059 /nfs/dbraw/zinc/18/10/59/1009181059.db2.gz COECBBHIYPIHSP-GFCCVEGCSA-N 0 1 407.434 3.801 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000520280687 1009397861 /nfs/dbraw/zinc/39/78/61/1009397861.db2.gz VAKPYQJTKCJMHH-GASCZTMLSA-N 0 1 419.503 3.626 20 5 HHBDMN C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)no1 ZINC000549931329 1009545723 /nfs/dbraw/zinc/54/57/23/1009545723.db2.gz AOJVQMNUUPCMIC-SNVBAGLBSA-N 0 1 419.235 3.964 20 5 HHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2Cc2c(F)cccc2Cl)c1 ZINC000520524005 1009614068 /nfs/dbraw/zinc/61/40/68/1009614068.db2.gz XMFPVKWBIAHOSZ-HOCLYGCPSA-N 0 1 408.857 3.834 20 5 HHBDMN O=[N+]([O-])c1ccc(O)cc1CN(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000550096465 1009699812 /nfs/dbraw/zinc/69/98/12/1009699812.db2.gz LINMTDQONDTKHA-UHFFFAOYSA-N 0 1 421.251 3.555 20 5 HHBDMN CN1CCN(c2ccccc2-c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)CC1 ZINC000547123346 1010075299 /nfs/dbraw/zinc/07/52/99/1010075299.db2.gz LGXDBUAHMFZXKF-CLFYSBASSA-N 0 1 409.421 3.706 20 5 HHBDMN COc1cccc([C@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)N2CCCC2)c1 ZINC000544532947 1010162684 /nfs/dbraw/zinc/16/26/84/1010162684.db2.gz TZCVUSZGKXERKL-BTYIYWSLSA-N 0 1 415.465 3.799 20 5 HHBDMN COc1ccc2cc([C@H](C)NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000544574126 1010203505 /nfs/dbraw/zinc/20/35/05/1010203505.db2.gz KWIRWAONLPDMJC-HNNXBMFYSA-N 0 1 414.483 3.881 20 5 HHBDMN CC(C)(C)c1ccc(Oc2ccc(CN[C@]3(CO)CCOC3)cc2[N+](=O)[O-])cc1 ZINC000544595088 1010220475 /nfs/dbraw/zinc/22/04/75/1010220475.db2.gz QAHDJWVIZRZERR-QFIPXVFZSA-N 0 1 400.475 3.926 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2CCN([C@H](C)c3ccccc3)CC2)c1 ZINC000544660130 1010280918 /nfs/dbraw/zinc/28/09/18/1010280918.db2.gz ALKCHWTZPKMJHX-QGZVFWFLSA-N 0 1 417.531 3.716 20 5 HHBDMN O=C(NC1CC1)N[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000544942874 1010507790 /nfs/dbraw/zinc/50/77/90/1010507790.db2.gz KYLFVMLEGCDCAB-CYBMUJFWSA-N 0 1 404.854 3.544 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@H](O)C[C@@H]3c3ccc(F)c(F)c3)o2)c1 ZINC000536239997 1011393448 /nfs/dbraw/zinc/39/34/48/1011393448.db2.gz PPYXJQVXPUSCAF-VQIMIIECSA-N 0 1 415.396 3.878 20 5 HHBDMN CN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H]1c1ccccc1 ZINC000536262369 1011428106 /nfs/dbraw/zinc/42/81/06/1011428106.db2.gz HEQSAMSQQKWCJC-DLBZAZTESA-N 0 1 404.264 3.533 20 5 HHBDMN C[C@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000551816163 1011972699 /nfs/dbraw/zinc/97/26/99/1011972699.db2.gz GTSKKMHNBBHEIT-FPTDNZKUSA-N 0 1 408.458 3.671 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000541308875 1012016829 /nfs/dbraw/zinc/01/68/29/1012016829.db2.gz RIWZOQKDRSQIFO-CQSZACIVSA-N 0 1 410.320 3.763 20 5 HHBDMN Cn1ccnc1[C@@H](NC[C@H](c1ccccc1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552040147 1012060831 /nfs/dbraw/zinc/06/08/31/1012060831.db2.gz FDTYAIOLVVCKNT-YADHBBJMSA-N 0 1 405.502 3.844 20 5 HHBDMN COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])c(C)c1Br)N(C)C ZINC000541578863 1012369431 /nfs/dbraw/zinc/36/94/31/1012369431.db2.gz WEAZAPSGNYYJKR-CQSZACIVSA-N 0 1 409.284 3.784 20 5 HHBDMN Cc1[nH]ncc1C1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000552420054 1012436264 /nfs/dbraw/zinc/43/62/64/1012436264.db2.gz PBKXOGVDEKKHDW-UHFFFAOYSA-N 0 1 407.268 3.717 20 5 HHBDMN COCCSc1ccc([C@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000537104028 1012470891 /nfs/dbraw/zinc/47/08/91/1012470891.db2.gz DSIJFSQZGPELPI-HNNXBMFYSA-N 0 1 415.515 3.573 20 5 HHBDMN COc1ccc([C@H](CN(C)C)NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 ZINC000552468745 1012494177 /nfs/dbraw/zinc/49/41/77/1012494177.db2.gz XPANTANAWNPAMW-QHCPKHFHSA-N 0 1 415.493 3.723 20 5 HHBDMN Cc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC000537175789 1012583128 /nfs/dbraw/zinc/58/31/28/1012583128.db2.gz AAEHGVHXAUFHAP-CQSZACIVSA-N 0 1 420.307 3.975 20 5 HHBDMN Cc1cc(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000537177285 1012585642 /nfs/dbraw/zinc/58/56/42/1012585642.db2.gz XQVNNDFLJXZOKM-HNNXBMFYSA-N 0 1 411.437 3.826 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1ccc(Br)cc1N1CCOCC1 ZINC000541758074 1012619481 /nfs/dbraw/zinc/61/94/81/1012619481.db2.gz LPVPHNJELIIWBE-UHFFFAOYSA-N 0 1 420.307 3.792 20 5 HHBDMN C[C@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000541990528 1012867696 /nfs/dbraw/zinc/86/76/96/1012867696.db2.gz TZVJYMDRLWFSKG-HNNXBMFYSA-N 0 1 419.428 3.933 20 5 HHBDMN COc1cc(Br)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000542000757 1012881387 /nfs/dbraw/zinc/88/13/87/1012881387.db2.gz NVPNLTQXBWSYAG-UHFFFAOYSA-N 0 1 421.656 3.820 20 5 HHBDMN CC(C)(C)OC(=O)C1(c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)CCC1 ZINC000904829592 1071908667 /nfs/dbraw/zinc/90/86/67/1071908667.db2.gz NWKHAWCPFUCKMD-UHFFFAOYSA-N 0 1 411.418 3.798 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1[N+](=O)[O-] ZINC000488251089 1072168466 /nfs/dbraw/zinc/16/84/66/1072168466.db2.gz PBHLFGWLSMBWND-UHFFFAOYSA-N 0 1 423.422 3.982 20 5 HHBDMN O=C(NCC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000760689300 1072956606 /nfs/dbraw/zinc/95/66/06/1072956606.db2.gz CFOLIOROGJXENZ-OAHLLOKOSA-N 0 1 409.229 3.631 20 5 HHBDMN CCN1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3SC3CCCC3)[C@H]2C1 ZINC000590500783 1073860968 /nfs/dbraw/zinc/86/09/68/1073860968.db2.gz XXJVZADDHVAGSU-RBUKOAKNSA-N 0 1 419.547 3.565 20 5 HHBDMN CC(C)c1ccc(CN(CCCN2CCOCC2)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000573018620 1074061384 /nfs/dbraw/zinc/06/13/84/1074061384.db2.gz YDOXIEIFEDYPQA-UHFFFAOYSA-N 0 1 412.534 3.838 20 5 HHBDMN CN1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)[C@H]1c1ccccc1 ZINC000760852630 1074451755 /nfs/dbraw/zinc/45/17/55/1074451755.db2.gz JRZXDEBWEBQVSQ-RHSMWYFYSA-N 0 1 404.264 3.533 20 5 HHBDMN O=[N+]([O-])c1cnc(Cl)cc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904189 721692193 /nfs/dbraw/zinc/69/21/93/721692193.db2.gz DRLUTZKJEYWFTE-GOSISDBHSA-N 0 1 423.851 3.776 20 5 HHBDMN CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000301762921 971057962 /nfs/dbraw/zinc/05/79/62/971057962.db2.gz NXCOZUDWJHWWFX-FQEVSTJZSA-N 0 1 413.474 3.569 20 5 HHBDMN O=[N+]([O-])c1cncc(Br)c1NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000301891969 971101098 /nfs/dbraw/zinc/10/10/98/971101098.db2.gz OLLMHYJZVNPJRX-UHFFFAOYSA-N 0 1 409.259 3.968 20 5 HHBDMN CNC(=O)c1ccc(N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000302025029 971154580 /nfs/dbraw/zinc/15/45/80/971154580.db2.gz KDGBVDKIHJLTNI-QUCCMNQESA-N 0 1 418.444 3.869 20 5 HHBDMN Cc1cc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302100762 971176163 /nfs/dbraw/zinc/17/61/63/971176163.db2.gz UXZNUUYTLOUMKN-UHFFFAOYSA-N 0 1 422.460 3.872 20 5 HHBDMN Cc1cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302127659 971182717 /nfs/dbraw/zinc/18/27/17/971182717.db2.gz BGMPBYAEUDLSJR-UHFFFAOYSA-N 0 1 412.396 3.692 20 5 HHBDMN Cc1cc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302137480 971185183 /nfs/dbraw/zinc/18/51/83/971185183.db2.gz DOCTWPCTNLDLAU-INIZCTEOSA-N 0 1 409.421 3.991 20 5 HHBDMN Cc1cc(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302175144 971197158 /nfs/dbraw/zinc/19/71/58/971197158.db2.gz MTFJHSJGVHVAPS-UHFFFAOYSA-N 0 1 412.396 3.692 20 5 HHBDMN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(Br)ccc1F ZINC000302961712 971421515 /nfs/dbraw/zinc/42/15/15/971421515.db2.gz GQDMHUKAFCACBZ-UHFFFAOYSA-N 0 1 410.243 3.957 20 5 HHBDMN Cc1nc([C@@H]2CCCN(c3ccc(C(=O)Nc4ccc(C)cc4)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000537561727 1013092828 /nfs/dbraw/zinc/09/28/28/1013092828.db2.gz MMPFONPHNCQUJG-QGZVFWFLSA-N 0 1 420.473 3.966 20 5 HHBDMN Cc1nnc([C@@H]2CCCN(c3ccc(C(=O)Nc4ccc(C)cc4)cc3[N+](=O)[O-])C2)[nH]1 ZINC000537561727 1013092844 /nfs/dbraw/zinc/09/28/44/1013092844.db2.gz MMPFONPHNCQUJG-QGZVFWFLSA-N 0 1 420.473 3.966 20 5 HHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](c4nc(-c5ccccc5)n[nH]4)C3)nc2c1 ZINC000537562554 1013096384 /nfs/dbraw/zinc/09/63/84/1013096384.db2.gz RIYWBVGYOKBPOU-HNNXBMFYSA-N 0 1 404.430 3.901 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000303651105 971930327 /nfs/dbraw/zinc/93/03/27/971930327.db2.gz KLCMMOGCVIOUIS-INIZCTEOSA-N 0 1 417.531 3.661 20 5 HHBDMN COC(=O)c1cc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc([N+](=O)[O-])c1 ZINC000303750828 972003498 /nfs/dbraw/zinc/00/34/98/972003498.db2.gz HUFJLCLYDZFWEY-UHFFFAOYSA-N 0 1 400.778 3.677 20 5 HHBDMN COCCOc1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000537630326 1013184353 /nfs/dbraw/zinc/18/43/53/1013184353.db2.gz NLQASTISRGXHRO-UHFFFAOYSA-N 0 1 416.474 3.672 20 5 HHBDMN Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000537633682 1013188076 /nfs/dbraw/zinc/18/80/76/1013188076.db2.gz TUWRXFGOEMGZRZ-IBGZPJMESA-N 0 1 406.490 3.538 20 5 HHBDMN COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)cc1 ZINC000006287663 960878361 /nfs/dbraw/zinc/87/83/61/960878361.db2.gz AUIKICZGNOWJGG-IBGZPJMESA-N 0 1 403.866 3.824 20 5 HHBDMN COc1ccc(OCCN2CCC(OCc3ccccc3OC)CC2)c([N+](=O)[O-])c1 ZINC000537684169 1013246424 /nfs/dbraw/zinc/24/64/24/1013246424.db2.gz TZZDBECRGJIKJI-UHFFFAOYSA-N 0 1 416.474 3.672 20 5 HHBDMN O=C(N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000553449653 1013362897 /nfs/dbraw/zinc/36/28/97/1013362897.db2.gz VWOIIJCKQGJOIX-INIZCTEOSA-N 0 1 403.320 3.986 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000015387697 962744896 /nfs/dbraw/zinc/74/48/96/962744896.db2.gz HYVRLWCWHKYGTA-HXUWFJFHSA-N 0 1 415.515 3.649 20 5 HHBDMN COc1cccc(NC(=O)[C@@H](NCCNc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000015505517 962777809 /nfs/dbraw/zinc/77/78/09/962777809.db2.gz PVCJSKJASURJFK-QFIPXVFZSA-N 0 1 420.469 3.985 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000016096066 962941520 /nfs/dbraw/zinc/94/15/20/962941520.db2.gz HAFJKQBUPAQOTE-UHFFFAOYSA-N 0 1 411.439 3.956 20 5 HHBDMN Cn1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000542446184 1013395119 /nfs/dbraw/zinc/39/51/19/1013395119.db2.gz LNNWJTMYMNUBFQ-UHFFFAOYSA-N 0 1 423.820 3.686 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000017911960 963240919 /nfs/dbraw/zinc/24/09/19/963240919.db2.gz PFNJRYSSGHDJEA-HXUWFJFHSA-N 0 1 415.515 3.892 20 5 HHBDMN CCc1ccc([C@@H](NC2CCC(S(C)(=O)=O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542496116 1013441967 /nfs/dbraw/zinc/44/19/67/1013441967.db2.gz HTIRFLMVIBAOHP-UPQHMETBSA-N 0 1 406.504 3.785 20 5 HHBDMN CSc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1[N+](=O)[O-] ZINC000023651511 963872387 /nfs/dbraw/zinc/87/23/87/963872387.db2.gz PAFLJXHGKGKFEC-UHFFFAOYSA-N 0 1 400.504 3.629 20 5 HHBDMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000023967085 963910411 /nfs/dbraw/zinc/91/04/11/963910411.db2.gz MFZNJIFUBVAJSM-UHFFFAOYSA-N 0 1 415.862 3.715 20 5 HHBDMN CC1CCN(c2ccc(C(=O)NC[C@H](c3ccsc3)N(C)C)cc2[N+](=O)[O-])CC1 ZINC000025330350 964243271 /nfs/dbraw/zinc/24/32/71/964243271.db2.gz FYLHHTSDWDBTQO-HXUWFJFHSA-N 0 1 416.547 3.925 20 5 HHBDMN CNc1ccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000027573279 964921765 /nfs/dbraw/zinc/92/17/65/964921765.db2.gz KGBYHPCWZFWBEM-GOSISDBHSA-N 0 1 402.520 3.901 20 5 HHBDMN CC(C)(C)[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000053644205 965238393 /nfs/dbraw/zinc/23/83/93/965238393.db2.gz KCUXEQISYADPOW-IBGZPJMESA-N 0 1 403.410 3.778 20 5 HHBDMN CCCCn1cc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(C)n1 ZINC000538012797 1013585635 /nfs/dbraw/zinc/58/56/35/1013585635.db2.gz LCGUMLISAICAOF-UHFFFAOYSA-N 0 1 421.306 3.685 20 5 HHBDMN CC1CCN([C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000058723694 965862922 /nfs/dbraw/zinc/86/29/22/965862922.db2.gz ZPNCBWFQZQPCOT-SFHVURJKSA-N 0 1 423.560 3.549 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000542693553 1013611803 /nfs/dbraw/zinc/61/18/03/1013611803.db2.gz ITOLGLRDFGXTPG-UHFFFAOYSA-N 0 1 402.252 3.741 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000542693553 1013611810 /nfs/dbraw/zinc/61/18/10/1013611810.db2.gz ITOLGLRDFGXTPG-UHFFFAOYSA-N 0 1 402.252 3.741 20 5 HHBDMN CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000055632894 965978276 /nfs/dbraw/zinc/97/82/76/965978276.db2.gz INJOJJQWSAAINB-UHFFFAOYSA-N 0 1 405.476 3.658 20 5 HHBDMN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1 ZINC000060063770 966056184 /nfs/dbraw/zinc/05/61/84/966056184.db2.gz ACPDSPSSSHDISH-GOSISDBHSA-N 0 1 403.504 3.868 20 5 HHBDMN CC(C)(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC000032399696 966241358 /nfs/dbraw/zinc/24/13/58/966241358.db2.gz GJAFORUBSUQMQQ-UHFFFAOYSA-N 0 1 403.236 3.899 20 5 HHBDMN CC(C)(C)c1nc2ccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cc2[nH]1 ZINC000032465739 966262559 /nfs/dbraw/zinc/26/25/59/966262559.db2.gz UAZKPDARFNZVNL-UHFFFAOYSA-N 0 1 405.418 3.602 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000056933037 966520008 /nfs/dbraw/zinc/52/00/08/966520008.db2.gz LIXKXLGXVYVSMI-FQEVSTJZSA-N 0 1 412.490 3.630 20 5 HHBDMN CS(=O)(=O)c1ccc(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000042678007 966828704 /nfs/dbraw/zinc/82/87/04/966828704.db2.gz SWZZVCILSZXCRQ-UHFFFAOYSA-N 0 1 410.864 3.588 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)N2CCCC2)c1 ZINC000043126873 966911013 /nfs/dbraw/zinc/91/10/13/966911013.db2.gz NQVDBLRYJHHZHE-LJQANCHMSA-N 0 1 414.462 3.571 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000063664301 966921548 /nfs/dbraw/zinc/92/15/48/966921548.db2.gz IVDVACKHILYDBY-GOSISDBHSA-N 0 1 401.463 3.609 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000063878350 966985010 /nfs/dbraw/zinc/98/50/10/966985010.db2.gz LMRNOOUCNRCHNP-UHFFFAOYSA-N 0 1 411.439 3.956 20 5 HHBDMN CC(=O)Nc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000064373866 967158515 /nfs/dbraw/zinc/15/85/15/967158515.db2.gz FICZTLHBMAHWSG-UHFFFAOYSA-N 0 1 417.365 3.681 20 5 HHBDMN CCCOc1ccc([C@@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000538150082 1013709548 /nfs/dbraw/zinc/70/95/48/1013709548.db2.gz HKJCUCUFXPMFKB-OAHLLOKOSA-N 0 1 401.463 3.990 20 5 HHBDMN Cc1nnc(-c2ccccc2NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)o1 ZINC000045774367 967550158 /nfs/dbraw/zinc/55/01/58/967550158.db2.gz VSFSJFQPHVDUEQ-UHFFFAOYSA-N 0 1 408.823 3.716 20 5 HHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](Cc3cnn(C)c3)C2)cc1OC ZINC000542915728 1013755170 /nfs/dbraw/zinc/75/51/70/1013755170.db2.gz NDAWTUZVAODFEQ-IAGOWNOFSA-N 0 1 416.522 3.826 20 5 HHBDMN COCCSc1ccc([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000538204409 1013759250 /nfs/dbraw/zinc/75/92/50/1013759250.db2.gz FDRHMJDQHIPFCB-HNNXBMFYSA-N 0 1 403.504 3.931 20 5 HHBDMN COc1ccc(-c2n[nH]c(SCCCOc3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 ZINC000065999967 968764493 /nfs/dbraw/zinc/76/44/93/968764493.db2.gz SBCMUAJAKRYQQU-UHFFFAOYSA-N 0 1 416.459 3.958 20 5 HHBDMN CC1CCN([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c2cccs2)CC1 ZINC000069210842 968820102 /nfs/dbraw/zinc/82/01/02/968820102.db2.gz OFZBGNPPEIXWAJ-IBGZPJMESA-N 0 1 416.547 3.925 20 5 HHBDMN COc1cccc([C@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)N(C)C)c1 ZINC000069366713 968830565 /nfs/dbraw/zinc/83/05/65/968830565.db2.gz NPQRFCNTUNCMKX-LIRRHRJNSA-N 0 1 403.504 3.503 20 5 HHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000072042852 968953745 /nfs/dbraw/zinc/95/37/45/968953745.db2.gz QMPFODVDJMRAIR-UHFFFAOYSA-N 0 1 402.882 3.951 20 5 HHBDMN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(CN2CCSCC2)c1 ZINC000072067765 968969440 /nfs/dbraw/zinc/96/94/40/968969440.db2.gz UXQVUPYJWOEZLG-UHFFFAOYSA-N 0 1 421.906 3.815 20 5 HHBDMN COc1ccc(OC)c(CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C2CC2)c1 ZINC000109103752 969462106 /nfs/dbraw/zinc/46/21/06/969462106.db2.gz DPWXAIHCTKGTRO-UHFFFAOYSA-N 0 1 413.474 3.914 20 5 HHBDMN COc1cc(CNCCOc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000237181617 970236485 /nfs/dbraw/zinc/23/64/85/970236485.db2.gz SHJXRFWXBCZROQ-UHFFFAOYSA-N 0 1 400.353 3.799 20 5 HHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNCCS(=O)(=O)c2ccccc2)s1 ZINC000237955664 970404445 /nfs/dbraw/zinc/40/44/45/970404445.db2.gz VVYFCJRUAMVTJN-UHFFFAOYSA-N 0 1 402.497 3.887 20 5 HHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000554723059 1014031657 /nfs/dbraw/zinc/03/16/57/1014031657.db2.gz NWGSFGSVWNXONK-LJQANCHMSA-N 0 1 423.473 3.839 20 5 HHBDMN O=c1[nH]cnc2cc(NC3CCN(Cc4ccc(Cl)cc4)CC3)c([N+](=O)[O-])cc12 ZINC000301066115 970730664 /nfs/dbraw/zinc/73/06/64/970730664.db2.gz JNDVYBVAJFKXGQ-UHFFFAOYSA-N 0 1 413.865 3.974 20 5 HHBDMN CC(C)[C@H](CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000301081084 970738253 /nfs/dbraw/zinc/73/82/53/970738253.db2.gz QGJVERBPQUYCLP-INIZCTEOSA-N 0 1 408.852 3.951 20 5 HHBDMN COc1cc2c(cc1OC)CN(CCNc1ccc([N+](=O)[O-])c3cnccc13)CC2 ZINC000301108502 970752374 /nfs/dbraw/zinc/75/23/74/970752374.db2.gz VKOOSRUKTDBNSU-UHFFFAOYSA-N 0 1 408.458 3.630 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc(Cl)cc1Br ZINC000319227487 972669153 /nfs/dbraw/zinc/66/91/53/972669153.db2.gz UNRZSTFDHPGXHB-UHFFFAOYSA-N 0 1 409.620 3.951 20 5 HHBDMN Cc1cc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(F)cc1Br ZINC000324521305 972722388 /nfs/dbraw/zinc/72/23/88/972722388.db2.gz KMLJLTMTOOCVRH-UHFFFAOYSA-N 0 1 407.192 3.745 20 5 HHBDMN C[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2ccccc2C1 ZINC000426009349 974125781 /nfs/dbraw/zinc/12/57/81/974125781.db2.gz GFEFDHAZQMQTNG-KRWDZBQOSA-N 0 1 408.502 3.716 20 5 HHBDMN O=C([O-])[C@@H](CN1CCCc2ccccc21)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426734476 974623550 /nfs/dbraw/zinc/62/35/50/974623550.db2.gz APMPPKJTQVJBAT-HXUWFJFHSA-N 0 1 421.453 3.850 20 5 HHBDMN Cc1cc(NCc2ccc(S(C)(=O)=O)c(Cl)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000428669999 975965057 /nfs/dbraw/zinc/96/50/57/975965057.db2.gz LGVFFETXQHYTAX-UHFFFAOYSA-N 0 1 405.863 3.542 20 5 HHBDMN CC(C)(NC[C@@H](O)COc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] ZINC000429246013 976536305 /nfs/dbraw/zinc/53/63/05/976536305.db2.gz MIKFZGNIHKBDEM-CQSZACIVSA-N 0 1 409.280 3.622 20 5 HHBDMN Cc1ccc([C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000431920056 978601512 /nfs/dbraw/zinc/60/15/12/978601512.db2.gz SENJBFUHIMYOTK-INIZCTEOSA-N 0 1 422.279 3.826 20 5 HHBDMN O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000432935167 979015723 /nfs/dbraw/zinc/01/57/23/979015723.db2.gz ZLGSCZZXMNTVNQ-UHFFFAOYSA-N 0 1 421.335 3.502 20 5 HHBDMN C[C@@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000433166452 979111975 /nfs/dbraw/zinc/11/19/75/979111975.db2.gz FXRYSCFNFQGKBM-VLIAUNLRSA-N 0 1 417.531 3.918 20 5 HHBDMN CCn1cccc(CNCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1=O ZINC000433178926 979122045 /nfs/dbraw/zinc/12/20/45/979122045.db2.gz DMTDJYALQRLFPW-UHFFFAOYSA-N 0 1 423.469 3.654 20 5 HHBDMN O=C1C[C@@]2(CCN(Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)C2)CN1 ZINC000435062225 980606168 /nfs/dbraw/zinc/60/61/68/980606168.db2.gz YEORLVLPOPQDFN-FQEVSTJZSA-N 0 1 401.850 3.753 20 5 HHBDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000435509368 980909081 /nfs/dbraw/zinc/90/90/81/980909081.db2.gz BUTQMRGGFHNPRL-UHFFFAOYSA-N 0 1 420.513 3.675 20 5 HHBDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000435669966 980980241 /nfs/dbraw/zinc/98/02/41/980980241.db2.gz QFJOUKJPNKEDAO-UHFFFAOYSA-N 0 1 406.486 3.979 20 5 HHBDMN C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCCC[C@H]1C ZINC000436098550 981199248 /nfs/dbraw/zinc/19/92/48/981199248.db2.gz KEFBLHNIPRIWIT-ZIAGYGMSSA-N 0 1 413.468 3.952 20 5 HHBDMN O=C(NCCCN1CCc2ccccc2C1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436099459 981199672 /nfs/dbraw/zinc/19/96/72/981199672.db2.gz MDNBPTYMWBHZOX-UHFFFAOYSA-N 0 1 411.505 3.860 20 5 HHBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nnc(-c2cccnc2)n1Cc1ccco1 ZINC000436476719 981393895 /nfs/dbraw/zinc/39/38/95/981393895.db2.gz UFNUYTGGEOKERU-UHFFFAOYSA-N 0 1 409.427 3.888 20 5 HHBDMN COc1cc(CSc2nc(-c3ccccc3O)n[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000436853629 981592175 /nfs/dbraw/zinc/59/21/75/981592175.db2.gz LIWYZEKNKKGEPU-UHFFFAOYSA-N 0 1 424.385 3.988 20 5 HHBDMN Nc1c(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)cccc1[N+](=O)[O-] ZINC000437526706 982152764 /nfs/dbraw/zinc/15/27/64/982152764.db2.gz SWZXNWLFVYNRJD-UHFFFAOYSA-N 0 1 400.398 3.881 20 5 HHBDMN Nc1c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)cccc1[N+](=O)[O-] ZINC000437526706 982152769 /nfs/dbraw/zinc/15/27/69/982152769.db2.gz SWZXNWLFVYNRJD-UHFFFAOYSA-N 0 1 400.398 3.881 20 5 HHBDMN CO[C@H](C)c1nc(CN2CCCN(Cc3cccc([N+](=O)[O-])c3C)CC2)cs1 ZINC000437528963 982155555 /nfs/dbraw/zinc/15/55/55/982155555.db2.gz WUVWZEQNUOPNIN-MRXNPFEDSA-N 0 1 404.536 3.775 20 5 HHBDMN O=[N+]([O-])c1ccccc1N1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000460381561 982160228 /nfs/dbraw/zinc/16/02/28/982160228.db2.gz SANPMLNRYVOXSA-UHFFFAOYSA-N 0 1 416.279 3.556 20 5 HHBDMN COc1ccc(-c2n[nH]c(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)n2)c(OC)c1 ZINC000439106640 983252315 /nfs/dbraw/zinc/25/23/15/983252315.db2.gz MWOYUXYKSWQZGF-UHFFFAOYSA-N 0 1 411.418 3.773 20 5 HHBDMN CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000439475790 983424145 /nfs/dbraw/zinc/42/41/45/983424145.db2.gz FJWWTEAXDLAQAV-YCRPNKLZSA-N 0 1 414.462 3.589 20 5 HHBDMN CSc1ccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000439766262 983529844 /nfs/dbraw/zinc/52/98/44/983529844.db2.gz HJATWMZMYOGODP-AWEZNQCLSA-N 0 1 400.504 3.667 20 5 HHBDMN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000439872741 983563824 /nfs/dbraw/zinc/56/38/24/983563824.db2.gz MSUJHMFGUSYCSS-ZWKOTPCHSA-N 0 1 417.531 3.655 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000439900602 983576253 /nfs/dbraw/zinc/57/62/53/983576253.db2.gz LQTGHZPWFYCBHP-UHFFFAOYSA-N 0 1 416.453 3.919 20 5 HHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000440188655 983676115 /nfs/dbraw/zinc/67/61/15/983676115.db2.gz NWHCEMWFFMNFFJ-QGZVFWFLSA-N 0 1 423.517 3.889 20 5 HHBDMN COc1ccc(OCCN2CCC(OCCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000441260059 984144323 /nfs/dbraw/zinc/14/43/23/984144323.db2.gz GCCPENIHAFXFLK-UHFFFAOYSA-N 0 1 400.475 3.706 20 5 HHBDMN CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000441816345 984473380 /nfs/dbraw/zinc/47/33/80/984473380.db2.gz CEYVRQPXSHRUSY-GOSISDBHSA-N 0 1 411.502 3.875 20 5 HHBDMN O=C(Cc1cccs1)Nc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442359953 984865550 /nfs/dbraw/zinc/86/55/50/984865550.db2.gz LGZHRJWFTXRTCE-UHFFFAOYSA-N 0 1 417.468 3.638 20 5 HHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N1CCN(CC)CC1 ZINC000462418894 985391915 /nfs/dbraw/zinc/39/19/15/985391915.db2.gz QTFHNPDBZWGXFW-LJQANCHMSA-N 0 1 410.518 3.944 20 5 HHBDMN Cc1c(NC(=O)CCN2CCN([C@@H](C)c3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000462462594 985422299 /nfs/dbraw/zinc/42/22/99/985422299.db2.gz IAZXZJQCYNMPRJ-INIZCTEOSA-N 0 1 402.520 3.672 20 5 HHBDMN Cc1c([C@H](C)N[C@H]2CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000443205661 985441785 /nfs/dbraw/zinc/44/17/85/985441785.db2.gz DOZFCDFISSETQZ-VDZJLULYSA-N 0 1 419.522 3.521 20 5 HHBDMN Cc1c([C@H](C)N[C@H]2CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000443205659 985441848 /nfs/dbraw/zinc/44/18/48/985441848.db2.gz DOZFCDFISSETQZ-IEZWGBDMSA-N 0 1 419.522 3.521 20 5 HHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000462513834 985464407 /nfs/dbraw/zinc/46/44/07/985464407.db2.gz TXQOOZPYRPWPKB-HXUWFJFHSA-N 0 1 410.518 3.550 20 5 HHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000462513832 985464627 /nfs/dbraw/zinc/46/46/27/985464627.db2.gz TXQOOZPYRPWPKB-FQEVSTJZSA-N 0 1 410.518 3.550 20 5 HHBDMN COc1ccc([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462536011 985483641 /nfs/dbraw/zinc/48/36/41/985483641.db2.gz KBFSKAXPHPHYHX-SECBINFHSA-N 0 1 405.259 3.950 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(Br)s1 ZINC000443344807 985509678 /nfs/dbraw/zinc/50/96/78/985509678.db2.gz RYBIILVJCQKTKQ-SECBINFHSA-N 0 1 414.281 3.717 20 5 HHBDMN O=C1C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1CCOc1ccccc1 ZINC000462727294 985674497 /nfs/dbraw/zinc/67/44/97/985674497.db2.gz CNCFCMVTZBLYMC-QGZVFWFLSA-N 0 1 421.453 3.624 20 5 HHBDMN C[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000462729261 985675817 /nfs/dbraw/zinc/67/58/17/985675817.db2.gz PEKVNPXPSIMCAQ-VIFPVBQESA-N 0 1 423.249 3.787 20 5 HHBDMN CNc1c(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000462899850 985828967 /nfs/dbraw/zinc/82/89/67/985828967.db2.gz FFABHYSJBMUAMF-FQEVSTJZSA-N 0 1 412.490 3.602 20 5 HHBDMN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@H](N2CCCCC2)C1 ZINC000444013293 986207534 /nfs/dbraw/zinc/20/75/34/986207534.db2.gz XGOSPXBZENVEDO-INIZCTEOSA-N 0 1 411.452 3.660 20 5 HHBDMN CCc1[nH]nc(C(=O)N(CCOC)[C@@H](C)c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000444050088 986248563 /nfs/dbraw/zinc/24/85/63/986248563.db2.gz IGJIGPMLIRYMEO-NSHDSACASA-N 0 1 414.384 3.749 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)c1[N+](=O)[O-] ZINC000444145101 986331571 /nfs/dbraw/zinc/33/15/71/986331571.db2.gz VXXNODINBDTPGJ-OAHLLOKOSA-N 0 1 416.478 3.525 20 5 HHBDMN Cc1cc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)n[nH]1 ZINC000468857435 986568000 /nfs/dbraw/zinc/56/80/00/986568000.db2.gz FXDVLTWYGJYSOL-UHFFFAOYSA-N 0 1 408.823 3.873 20 5 HHBDMN Cc1cc(Br)cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000468955438 986659763 /nfs/dbraw/zinc/65/97/63/986659763.db2.gz MCXTVSNDIYBEDG-UHFFFAOYSA-N 0 1 402.208 3.703 20 5 HHBDMN O=C(NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000469200741 986924854 /nfs/dbraw/zinc/92/48/54/986924854.db2.gz SXMGETSBCXBHMT-AWEZNQCLSA-N 0 1 409.467 3.959 20 5 HHBDMN CN(C)C1(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)Cc2ccccc2C1 ZINC000444995476 987124593 /nfs/dbraw/zinc/12/45/93/987124593.db2.gz HOIXMNLHDLKARL-UHFFFAOYSA-N 0 1 411.505 3.510 20 5 HHBDMN CN(C)Cc1cc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)ccc1F ZINC000445003477 987133737 /nfs/dbraw/zinc/13/37/37/987133737.db2.gz IDLDEAQAQCTFGH-UHFFFAOYSA-N 0 1 403.457 3.812 20 5 HHBDMN COc1ccc(CN2CCCN(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)cc1 ZINC000463960000 988072550 /nfs/dbraw/zinc/07/25/50/988072550.db2.gz WGADIRNBMVHQTE-UHFFFAOYSA-N 0 1 412.490 3.960 20 5 HHBDMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470303081 988261309 /nfs/dbraw/zinc/26/13/09/988261309.db2.gz LCGDTYJHRXGKDG-UHFFFAOYSA-N 0 1 404.835 3.603 20 5 HHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000470336711 988302260 /nfs/dbraw/zinc/30/22/60/988302260.db2.gz KWDPJQBTFFNTKD-UHFFFAOYSA-N 0 1 414.384 3.829 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000464608473 988790581 /nfs/dbraw/zinc/79/05/81/988790581.db2.gz MYFZVTZLDPGZMA-OCCSQVGLSA-N 0 1 403.483 3.541 20 5 HHBDMN CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000464772279 988996101 /nfs/dbraw/zinc/99/61/01/988996101.db2.gz IVDGXWGBUXOMSH-YPMHNXCESA-N 0 1 416.341 3.902 20 5 HHBDMN Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464778917 989006807 /nfs/dbraw/zinc/00/68/07/989006807.db2.gz TWYYCSJMEUJMDM-SFHVURJKSA-N 0 1 411.502 3.794 20 5 HHBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(COc2ccccc2)[n-]1 ZINC000471607988 989812122 /nfs/dbraw/zinc/81/21/22/989812122.db2.gz ANELRDQYLSDWGR-LPHOPBHVSA-N 0 1 407.474 3.793 20 5 HHBDMN Cc1sc(S(=O)(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000467025724 992334154 /nfs/dbraw/zinc/33/41/54/992334154.db2.gz UUKKJRKMHPILAR-GFCCVEGCSA-N 0 1 416.349 3.825 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000467100322 992406095 /nfs/dbraw/zinc/40/60/95/992406095.db2.gz FWAUWAOOPJNZBL-OAHLLOKOSA-N 0 1 420.351 3.951 20 5 HHBDMN COc1cc(CN2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000467559956 992840659 /nfs/dbraw/zinc/84/06/59/992840659.db2.gz MTSRGXOWPZETCD-YCRPNKLZSA-N 0 1 406.479 3.556 20 5 HHBDMN Cc1cc(F)c(Br)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000473410945 994263547 /nfs/dbraw/zinc/26/35/47/994263547.db2.gz LBSCYOPWPPQFMG-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000481445139 994282076 /nfs/dbraw/zinc/28/20/76/994282076.db2.gz QJOUOFWPKQDKFA-RNODOKPDSA-N 0 1 403.866 3.503 20 5 HHBDMN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481673772 994534192 /nfs/dbraw/zinc/53/41/92/994534192.db2.gz UCZFBWIPRZNBNN-YVEFUNNKSA-N 0 1 411.911 3.958 20 5 HHBDMN COc1ccc(CN[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000473670350 994558617 /nfs/dbraw/zinc/55/86/17/994558617.db2.gz KOQMECOMVAYONA-AWEZNQCLSA-N 0 1 410.257 3.805 20 5 HHBDMN Cc1cc(NC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000473770697 994690780 /nfs/dbraw/zinc/69/07/80/994690780.db2.gz MOIFCQFIGXWFSQ-OAHLLOKOSA-N 0 1 415.469 3.677 20 5 HHBDMN COc1ccc(S(=O)(=O)Nc2cc(Cc3ccccc3)ccc2O)cc1[N+](=O)[O-] ZINC000481951303 994832637 /nfs/dbraw/zinc/83/26/37/994832637.db2.gz QBUBIZOJKAHDBU-UHFFFAOYSA-N 0 1 414.439 3.701 20 5 HHBDMN O=C(N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482018316 994929058 /nfs/dbraw/zinc/92/90/58/994929058.db2.gz VCCIEIHQZUMCQR-IBGZPJMESA-N 0 1 415.409 3.581 20 5 HHBDMN COc1cccc([C@H]2[C@@H](NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CCN2C2CC2)c1 ZINC000482042753 994963002 /nfs/dbraw/zinc/96/30/02/994963002.db2.gz CUZYBKSPMJPQPB-AVRDEDQJSA-N 0 1 420.469 3.793 20 5 HHBDMN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cc(CN(C)C)ccn3)cc2[N+](=O)[O-])C1 ZINC000482361141 995342499 /nfs/dbraw/zinc/34/24/99/995342499.db2.gz GDFLHCPTXZWLPF-IYBDPMFKSA-N 0 1 411.506 3.786 20 5 HHBDMN CCN(Cc1cccc(Br)c1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000482377389 995362251 /nfs/dbraw/zinc/36/22/51/995362251.db2.gz BSJYEMZFJVLLTN-UHFFFAOYSA-N 0 1 403.236 3.896 20 5 HHBDMN COc1c(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cccc1[N+](=O)[O-] ZINC000474423540 995386506 /nfs/dbraw/zinc/38/65/06/995386506.db2.gz BURQSHOTKMNDKF-FQEVSTJZSA-N 0 1 402.410 3.999 20 5 HHBDMN COC(=O)COc1ccc(CN(C)Cc2ccc3cc(OC)ccc3c2)cc1[N+](=O)[O-] ZINC000475558850 996218524 /nfs/dbraw/zinc/21/85/24/996218524.db2.gz HNDBYMYHSDAFPK-UHFFFAOYSA-N 0 1 424.453 3.940 20 5 HHBDMN COc1ccc(-c2ccc(CN3C[C@@]4(CCOC4)OC(C)(C)C3)o2)c([N+](=O)[O-])c1 ZINC000475644864 996273715 /nfs/dbraw/zinc/27/37/15/996273715.db2.gz YROXTCVKSDPSMF-OAQYLSRUSA-N 0 1 402.447 3.633 20 5 HHBDMN CCc1nc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)n[nH]1 ZINC000483625313 996293928 /nfs/dbraw/zinc/29/39/28/996293928.db2.gz TVOVCAPVYJVZPA-UHFFFAOYSA-N 0 1 417.809 3.982 20 5 HHBDMN CCc1n[nH]c(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)n1 ZINC000483625313 996293930 /nfs/dbraw/zinc/29/39/30/996293930.db2.gz TVOVCAPVYJVZPA-UHFFFAOYSA-N 0 1 417.809 3.982 20 5 HHBDMN COC(=O)COc1ccc(CN2CCC(OC3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000475702480 996310175 /nfs/dbraw/zinc/31/01/75/996310175.db2.gz UFWMQFIIKSFTHS-UHFFFAOYSA-N 0 1 420.506 3.706 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccccc2-c2csc(C)n2)cc1[N+](=O)[O-] ZINC000475826354 996396043 /nfs/dbraw/zinc/39/60/43/996396043.db2.gz AMOBKTDTLIEBGJ-UHFFFAOYSA-N 0 1 423.447 3.975 20 5 HHBDMN CCOc1ccccc1Oc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000476009108 996538652 /nfs/dbraw/zinc/53/86/52/996538652.db2.gz LGKSHVNDNDSSQA-UHFFFAOYSA-N 0 1 409.398 3.816 20 5 HHBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000484741494 997084382 /nfs/dbraw/zinc/08/43/82/997084382.db2.gz ZSRCQLMENOINJQ-CYBMUJFWSA-N 0 1 421.244 3.618 20 5 HHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000484865653 997229592 /nfs/dbraw/zinc/22/95/92/997229592.db2.gz OMUTUYFKEYXHDS-NSHDSACASA-N 0 1 413.352 3.791 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000485080931 997450993 /nfs/dbraw/zinc/45/09/93/997450993.db2.gz SUQRAHCEAPPSNT-UHFFFAOYSA-N 0 1 422.875 3.990 20 5 HHBDMN Cc1nc(C)n(-c2ccccc2NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000477453548 998160550 /nfs/dbraw/zinc/16/05/50/998160550.db2.gz FCRUAPSPMJNDHD-UHFFFAOYSA-N 0 1 421.866 3.555 20 5 HHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000477473874 998192991 /nfs/dbraw/zinc/19/29/91/998192991.db2.gz GKAXZTKLFQBETM-UHFFFAOYSA-N 0 1 420.872 3.710 20 5 HHBDMN O=C(CNC1(c2ccc(Br)cc2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000477491263 998212266 /nfs/dbraw/zinc/21/22/66/998212266.db2.gz QBOAFVMIOGCCJB-UHFFFAOYSA-N 0 1 416.275 3.525 20 5 HHBDMN C[N@H+]1CC[C@@H]([N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1c1ccc(F)c(F)c1 ZINC000485994469 998437866 /nfs/dbraw/zinc/43/78/66/998437866.db2.gz PPMFSKOBGBBGDG-IAGOWNOFSA-N 0 1 401.373 3.780 20 5 HHBDMN CN1CC[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1c1ccc(F)c(F)c1 ZINC000485994469 998437870 /nfs/dbraw/zinc/43/78/70/998437870.db2.gz PPMFSKOBGBBGDG-IAGOWNOFSA-N 0 1 401.373 3.780 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000486222028 998657858 /nfs/dbraw/zinc/65/78/58/998657858.db2.gz MNKJOWKVEUQHBB-KBJGYGKASA-N 0 1 424.501 3.942 20 5 HHBDMN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000478174972 998803068 /nfs/dbraw/zinc/80/30/68/998803068.db2.gz IXPCUFMZQILGQT-IBGZPJMESA-N 0 1 403.866 3.580 20 5 HHBDMN COc1cc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(OC)c1OC ZINC000487194484 999093543 /nfs/dbraw/zinc/09/35/43/999093543.db2.gz IIPZDLWFMQXLRU-UHFFFAOYSA-N 0 1 400.353 3.929 20 5 HHBDMN Cc1cn(-c2cccc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)c2)c(=O)[nH]1 ZINC000478699008 999094514 /nfs/dbraw/zinc/09/45/14/999094514.db2.gz VXCIPIMINHGULZ-UHFFFAOYSA-N 0 1 422.850 3.557 20 5 HHBDMN CCCc1[nH]nc(C(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c1[N+](=O)[O-] ZINC000478774597 999134207 /nfs/dbraw/zinc/13/42/07/999134207.db2.gz SWIBQOHWWWOPNA-UHFFFAOYSA-N 0 1 410.818 3.834 20 5 HHBDMN CC[C@H](NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000487746706 999275508 /nfs/dbraw/zinc/27/55/08/999275508.db2.gz CISIMIKIXJZQLU-FQEVSTJZSA-N 0 1 411.506 3.928 20 5 HHBDMN CC(C)(C)OC(=O)c1ccc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(F)c1 ZINC000479456425 999425885 /nfs/dbraw/zinc/42/58/85/999425885.db2.gz MXKMWLHBKPUJMY-UHFFFAOYSA-N 0 1 414.386 3.629 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)n2)o1 ZINC000479466679 999430201 /nfs/dbraw/zinc/43/02/01/999430201.db2.gz RWCOGCMHCZAOKS-GFCCVEGCSA-N 0 1 410.434 3.770 20 5 HHBDMN C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000488376679 999464564 /nfs/dbraw/zinc/46/45/64/999464564.db2.gz FTKUVRPIOWRKLX-VIFPVBQESA-N 0 1 404.370 3.582 20 5 HHBDMN CC(C)c1ccc(CNCc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1[N+](=O)[O-] ZINC000479586561 999491127 /nfs/dbraw/zinc/49/11/27/999491127.db2.gz GEJQTOUWFQAPJV-UHFFFAOYSA-N 0 1 421.494 3.687 20 5 HHBDMN Cc1ccc([C@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000488663989 999563690 /nfs/dbraw/zinc/56/36/90/999563690.db2.gz HMZYSQBDWSFMQN-SFHVURJKSA-N 0 1 400.479 3.868 20 5 HHBDMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000488866991 999631288 /nfs/dbraw/zinc/63/12/88/999631288.db2.gz GWQXPUVHNBKNQH-KRWDZBQOSA-N 0 1 424.501 3.664 20 5 HHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000489243923 999729209 /nfs/dbraw/zinc/72/92/09/999729209.db2.gz FESGJVGQPWFNEO-WCBMZHEXSA-N 0 1 410.272 3.788 20 5 HHBDMN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480404081 999790874 /nfs/dbraw/zinc/79/08/74/999790874.db2.gz OEUVLQFPVKYRDT-QFBILLFUSA-N 0 1 419.485 3.807 20 5 HHBDMN Cc1c(CNCc2ccc(Br)cc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000480439087 999799418 /nfs/dbraw/zinc/79/94/18/999799418.db2.gz CARLHCQZQCWOCZ-UHFFFAOYSA-N 0 1 420.307 3.792 20 5 HHBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1nc2cccc(Cl)c2n1C ZINC000480656560 999852510 /nfs/dbraw/zinc/85/25/10/999852510.db2.gz AGJGMCMOTYFZDK-LBPRGKRZSA-N 0 1 401.854 3.642 20 5 HHBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nc2cccc(Cl)c2n1C ZINC000480696574 999862040 /nfs/dbraw/zinc/86/20/40/999862040.db2.gz XWMAYQABJXKQIP-GFCCVEGCSA-N 0 1 401.854 3.642 20 5 HHBDMN CCCCOc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1OC ZINC000490344367 999941346 /nfs/dbraw/zinc/94/13/46/999941346.db2.gz NYVTVQPIDSAYPB-UHFFFAOYSA-N 0 1 411.418 3.820 20 5 HHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Oc2cccnc2)cc1 ZINC000490345303 999941536 /nfs/dbraw/zinc/94/15/36/999941536.db2.gz QPDRZSMCYHSFNM-UHFFFAOYSA-N 0 1 402.370 3.820 20 5 HHBDMN CCOc1ccccc1OCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490359265 999944212 /nfs/dbraw/zinc/94/42/12/999944212.db2.gz BHQWRWXWHAPDCI-UHFFFAOYSA-N 0 1 411.418 3.576 20 5 HHBDMN COc1cc(CN2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490370673 999946417 /nfs/dbraw/zinc/94/64/17/999946417.db2.gz OLMJABUFVIAUBO-IBGZPJMESA-N 0 1 400.422 3.640 20 5 HHBDMN COc1cc(CNCc2ccc(-n3cccn3)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491017568 1000034343 /nfs/dbraw/zinc/03/43/43/1000034343.db2.gz FTNFXLXEAQKIJN-UHFFFAOYSA-N 0 1 418.400 3.723 20 5 HHBDMN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(OC)cc1Cl ZINC000491571778 1000084678 /nfs/dbraw/zinc/08/46/78/1000084678.db2.gz HOPJECVMDJFQBB-UHFFFAOYSA-N 0 1 400.840 3.683 20 5 HHBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2NC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000491594094 1000087390 /nfs/dbraw/zinc/08/73/90/1000087390.db2.gz MOPCNEQAXIRUCZ-UHFFFAOYSA-N 0 1 406.464 3.542 20 5 HHBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1 ZINC000492548187 1000131827 /nfs/dbraw/zinc/13/18/27/1000131827.db2.gz FKCIXXLLPVKVSI-MRVPVSSYSA-N 0 1 422.264 3.695 20 5 HHBDMN CCOc1cc(CN2CCC(C(=O)Nc3ccccc3OC)CC2)ccc1[N+](=O)[O-] ZINC000492647748 1000136749 /nfs/dbraw/zinc/13/67/49/1000136749.db2.gz FCRDKDSUSROAFI-UHFFFAOYSA-N 0 1 413.474 3.853 20 5 HHBDMN CCOc1cc(CN2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000492654175 1000136942 /nfs/dbraw/zinc/13/69/42/1000136942.db2.gz NUZLHSYIVIQZTE-HNNXBMFYSA-N 0 1 417.428 3.616 20 5 HHBDMN Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CC[N@@H+](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000493183966 1000162144 /nfs/dbraw/zinc/16/21/44/1000162144.db2.gz UZCWOECOWVAZDM-UHFFFAOYSA-N 0 1 403.504 3.649 20 5 HHBDMN Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CC[N@H+](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000493183966 1000162146 /nfs/dbraw/zinc/16/21/46/1000162146.db2.gz UZCWOECOWVAZDM-UHFFFAOYSA-N 0 1 403.504 3.649 20 5 HHBDMN Cc1[nH]nc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)c1[N+](=O)[O-] ZINC000504466065 1000220353 /nfs/dbraw/zinc/22/03/53/1000220353.db2.gz ZRVAFUMIAKOSHS-UHFFFAOYSA-N 0 1 410.868 3.676 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494445677 1000495735 /nfs/dbraw/zinc/49/57/35/1000495735.db2.gz KCRZSVYNZIUHCM-MOFZMDFASA-N 0 1 419.865 3.704 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000494449444 1000498117 /nfs/dbraw/zinc/49/81/17/1000498117.db2.gz YHECLHFSNHFYBV-UHFFFAOYSA-N 0 1 411.506 3.794 20 5 HHBDMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000494458712 1000502560 /nfs/dbraw/zinc/50/25/60/1000502560.db2.gz VMMKKRBSEVTGLD-UHFFFAOYSA-N 0 1 417.531 3.891 20 5 HHBDMN CCOc1ccc(NC(=O)CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000494478986 1000514442 /nfs/dbraw/zinc/51/44/42/1000514442.db2.gz WMDKUYNVBXXASS-FXAWDEMLSA-N 0 1 419.865 3.705 20 5 HHBDMN O=C1[C@H](N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000494492778 1000522253 /nfs/dbraw/zinc/52/22/53/1000522253.db2.gz MGKBZHVVVNHLAR-GUDVDZBRSA-N 0 1 419.840 3.612 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494512226 1000533060 /nfs/dbraw/zinc/53/30/60/1000533060.db2.gz YFWZEQAAXMDDGO-LPHOPBHVSA-N 0 1 407.829 3.754 20 5 HHBDMN O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000505129527 1000565558 /nfs/dbraw/zinc/56/55/58/1000565558.db2.gz JDOCRGYPQYFAQC-SFHVURJKSA-N 0 1 401.413 3.641 20 5 HHBDMN CN(C[C@H]1CCOC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000494964332 1000755164 /nfs/dbraw/zinc/75/51/64/1000755164.db2.gz OLACKJRMUCZERC-KUHUBIRLSA-N 0 1 403.866 3.896 20 5 HHBDMN COc1ccc(-c2n[nH]c(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n2)cc1 ZINC000505472441 1000798538 /nfs/dbraw/zinc/79/85/38/1000798538.db2.gz APUBSDQFRJJQPI-UHFFFAOYSA-N 0 1 409.427 3.533 20 5 HHBDMN COc1ccc(-c2nc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n[nH]2)cc1 ZINC000505472441 1000798543 /nfs/dbraw/zinc/79/85/43/1000798543.db2.gz APUBSDQFRJJQPI-UHFFFAOYSA-N 0 1 409.427 3.533 20 5 HHBDMN Cc1c(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cccc1[N+](=O)[O-] ZINC000505795193 1001028681 /nfs/dbraw/zinc/02/86/81/1001028681.db2.gz IYEMIVZGXXREGU-UHFFFAOYSA-N 0 1 410.474 3.970 20 5 HHBDMN Cc1cc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)ccc1[N+](=O)[O-] ZINC000505806276 1001035993 /nfs/dbraw/zinc/03/59/93/1001035993.db2.gz FFDKZRFMKOJGIP-UHFFFAOYSA-N 0 1 410.474 3.970 20 5 HHBDMN CC(C)c1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n[nH]1 ZINC000496673211 1001213531 /nfs/dbraw/zinc/21/35/31/1001213531.db2.gz OWZLKOIWYIEYEF-AWEZNQCLSA-N 0 1 408.462 3.939 20 5 HHBDMN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000506183279 1001265300 /nfs/dbraw/zinc/26/53/00/1001265300.db2.gz KQEGYHFJAXKZDO-GOSISDBHSA-N 0 1 404.430 3.818 20 5 HHBDMN CCCS(=O)(=O)NC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000506559427 1001459235 /nfs/dbraw/zinc/45/92/35/1001459235.db2.gz DSYJFIJZYVZOFQ-UHFFFAOYSA-N 0 1 423.560 3.617 20 5 HHBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)c(OC)c1 ZINC000506640408 1001479991 /nfs/dbraw/zinc/47/99/91/1001479991.db2.gz YWAXXTLDEROXHD-XJKSGUPXSA-N 0 1 417.462 3.689 20 5 HHBDMN O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506697968 1001497181 /nfs/dbraw/zinc/49/71/81/1001497181.db2.gz FXNGXPHFQAGYQN-UHFFFAOYSA-N 0 1 403.398 3.540 20 5 HHBDMN Cc1csc(Sc2ccc(C(=O)NCCN3CC=CCC3)cc2[N+](=O)[O-])n1 ZINC000506757329 1001515783 /nfs/dbraw/zinc/51/57/83/1001515783.db2.gz FMVJGIKFJJSOJB-UHFFFAOYSA-N 0 1 404.517 3.503 20 5 HHBDMN C[C@H]1CN(Cc2ccccc2CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H](C)O1 ZINC000506838678 1001558898 /nfs/dbraw/zinc/55/88/98/1001558898.db2.gz QBGUAOLBCSMNNU-HOTGVXAUSA-N 0 1 424.501 3.701 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000498026623 1001611766 /nfs/dbraw/zinc/61/17/66/1001611766.db2.gz NRAQPAODEMADOG-ZDUSSCGKSA-N 0 1 421.295 3.738 20 5 HHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000498043053 1001618885 /nfs/dbraw/zinc/61/88/85/1001618885.db2.gz GBRPXVLRMJGXDF-CYBMUJFWSA-N 0 1 405.248 3.768 20 5 HHBDMN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507083948 1001797242 /nfs/dbraw/zinc/79/72/42/1001797242.db2.gz IVWNDCBMCOWTNJ-DIFFPNOSSA-N 0 1 421.247 3.665 20 5 HHBDMN Cc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000507301851 1001983857 /nfs/dbraw/zinc/98/38/57/1001983857.db2.gz HZAVFTJDWDCFCM-SFHVURJKSA-N 0 1 421.457 3.505 20 5 HHBDMN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507334455 1002006941 /nfs/dbraw/zinc/00/69/41/1002006941.db2.gz HKBQNJVBQVLVOB-MGPLVRAMSA-N 0 1 409.236 3.569 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)cc1 ZINC000498733727 1002117975 /nfs/dbraw/zinc/11/79/75/1002117975.db2.gz LYMXBKXFPXHCHR-GOSISDBHSA-N 0 1 414.462 3.890 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507607263 1002213378 /nfs/dbraw/zinc/21/33/78/1002213378.db2.gz SNHRLFZXHOJENV-UHFFFAOYSA-N 0 1 407.474 3.796 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507607263 1002213389 /nfs/dbraw/zinc/21/33/89/1002213389.db2.gz SNHRLFZXHOJENV-UHFFFAOYSA-N 0 1 407.474 3.796 20 5 HHBDMN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498897218 1002287623 /nfs/dbraw/zinc/28/76/23/1002287623.db2.gz VUXAFVWTUOKQJE-CQSZACIVSA-N 0 1 424.486 3.734 20 5 HHBDMN CCCCc1nc2ccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])cc2[nH]1 ZINC000499296163 1002705911 /nfs/dbraw/zinc/70/59/11/1002705911.db2.gz NKHPUZSAAVARKS-UHFFFAOYSA-N 0 1 402.476 3.798 20 5 HHBDMN COC(=O)c1cc(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc([N+](=O)[O-])c1 ZINC000508247596 1002770330 /nfs/dbraw/zinc/77/03/30/1002770330.db2.gz LZDYOJISWRIFRP-CQSZACIVSA-N 0 1 422.441 3.586 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN[C@H](CO)c3cccc(Cl)c3F)o2)c1 ZINC000499937765 1003260417 /nfs/dbraw/zinc/26/04/17/1003260417.db2.gz VJUWMABLUCLWMO-MRXNPFEDSA-N 0 1 405.813 3.908 20 5 HHBDMN CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000500152573 1003508353 /nfs/dbraw/zinc/50/83/53/1003508353.db2.gz XPNDKWUGLNBKQJ-UHFFFAOYSA-N 0 1 423.922 3.533 20 5 HHBDMN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000500154343 1003509659 /nfs/dbraw/zinc/50/96/59/1003509659.db2.gz GDDHCXMYJDZKFZ-UHFFFAOYSA-N 0 1 408.502 3.838 20 5 HHBDMN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000500398622 1003692903 /nfs/dbraw/zinc/69/29/03/1003692903.db2.gz ZSJMCZXXEFNQLH-LJQANCHMSA-N 0 1 409.442 3.917 20 5 HHBDMN COC(=O)COc1ccc(CN[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000500400231 1003693591 /nfs/dbraw/zinc/69/35/91/1003693591.db2.gz SHBDZVXHEDPMPI-RBZFPXEDSA-N 0 1 404.850 3.825 20 5 HHBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@H](C)CN1Cc1ccccc1 ZINC000500441845 1003720514 /nfs/dbraw/zinc/72/05/14/1003720514.db2.gz ZEVMAUZBLSTSQQ-IAGOWNOFSA-N 0 1 404.470 3.878 20 5 HHBDMN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000500468851 1003734129 /nfs/dbraw/zinc/73/41/29/1003734129.db2.gz VZKZFNZHYLUFCC-MRXNPFEDSA-N 0 1 410.821 3.978 20 5 HHBDMN Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000511841414 1003818993 /nfs/dbraw/zinc/81/89/93/1003818993.db2.gz HZMQVWNJFKYYOR-QGZVFWFLSA-N 0 1 407.392 3.926 20 5 HHBDMN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512193358 1004094822 /nfs/dbraw/zinc/09/48/22/1004094822.db2.gz DQLHPXPHQKBONH-AWEZNQCLSA-N 0 1 415.471 3.695 20 5 HHBDMN O=C(CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000512201877 1004103043 /nfs/dbraw/zinc/10/30/43/1004103043.db2.gz IUGLLJNKYKSELF-KRWDZBQOSA-N 0 1 424.284 3.504 20 5 HHBDMN CCOc1cc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)c([N+](=O)[O-])cc1OCC ZINC000501523349 1004489028 /nfs/dbraw/zinc/48/90/28/1004489028.db2.gz SKPXJFYODRUFLP-INIZCTEOSA-N 0 1 422.507 3.878 20 5 HHBDMN C[C@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C[C@H]1C ZINC000501634657 1004567598 /nfs/dbraw/zinc/56/75/98/1004567598.db2.gz ZZNLNNGNNJOFNC-LSDHHAIUSA-N 0 1 417.487 3.514 20 5 HHBDMN O=C(Nc1c[nH]nc1[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000501749828 1004678239 /nfs/dbraw/zinc/67/82/39/1004678239.db2.gz XGVDXLFRPKJJPV-SFHVURJKSA-N 0 1 405.458 3.950 20 5 HHBDMN CCOC(=O)c1cnn(C2CCN(Cc3ccc([N+](=O)[O-])c(OCC)c3)CC2)c1C ZINC000510618228 1004757975 /nfs/dbraw/zinc/75/79/75/1004757975.db2.gz KTSIWSNPZOFHJS-UHFFFAOYSA-N 0 1 416.478 3.512 20 5 HHBDMN O=C(CN(CCCO)[C@@H]1CCc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000510646270 1004776389 /nfs/dbraw/zinc/77/63/89/1004776389.db2.gz JQFADILGRVHVLW-GOSISDBHSA-N 0 1 403.866 3.559 20 5 HHBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H]2CN2CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000510692840 1004801332 /nfs/dbraw/zinc/80/13/32/1004801332.db2.gz JFUIPTFTSLZGQR-LJQANCHMSA-N 0 1 415.465 3.823 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)N(C)C)c1 ZINC000510831315 1004879770 /nfs/dbraw/zinc/87/97/70/1004879770.db2.gz DNLFRYZEAIYLOJ-MRXNPFEDSA-N 0 1 424.404 3.629 20 5 HHBDMN COc1cccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)N(C)C)c1 ZINC000510831314 1004879969 /nfs/dbraw/zinc/87/99/69/1004879969.db2.gz DNLFRYZEAIYLOJ-INIZCTEOSA-N 0 1 424.404 3.629 20 5 HHBDMN CN(C)[C@H](CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-])c1ccco1 ZINC000502084854 1004895364 /nfs/dbraw/zinc/89/53/64/1004895364.db2.gz OWUGHNYDJNDANH-CQSZACIVSA-N 0 1 405.252 3.635 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)N2CCCCC2)cc1 ZINC000511061171 1005002531 /nfs/dbraw/zinc/00/25/31/1005002531.db2.gz BTWYIWOMYFAHDB-HXUWFJFHSA-N 0 1 413.474 3.569 20 5 HHBDMN CN(CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000511106073 1005021112 /nfs/dbraw/zinc/02/11/12/1005021112.db2.gz KLOZYLPTRFYLJA-UHFFFAOYSA-N 0 1 421.379 3.603 20 5 HHBDMN Cc1ccccc1CN1CCCN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000513817487 1005142429 /nfs/dbraw/zinc/14/24/29/1005142429.db2.gz ITSMRBGGOFKODX-UHFFFAOYSA-N 0 1 413.543 3.871 20 5 HHBDMN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000503108224 1005349104 /nfs/dbraw/zinc/34/91/04/1005349104.db2.gz HRXSVMAVQYSXHC-UHFFFAOYSA-N 0 1 412.273 3.746 20 5 HHBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000503621905 1005467195 /nfs/dbraw/zinc/46/71/95/1005467195.db2.gz YOAMQNOOTUBUAU-UHFFFAOYSA-N 0 1 400.504 3.503 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN([C@@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000534215797 1006211857 /nfs/dbraw/zinc/21/18/57/1006211857.db2.gz RGGQGCTWLMITGC-HOTGVXAUSA-N 0 1 407.474 3.986 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000532212229 1006725348 /nfs/dbraw/zinc/72/53/48/1006725348.db2.gz KNZYNNHSXVZSSO-GOSISDBHSA-N 0 1 414.487 3.922 20 5 HHBDMN Cc1cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])nn1-c1ccccc1Cl ZINC000538498338 1006766148 /nfs/dbraw/zinc/76/61/48/1006766148.db2.gz XKOYNPAEGDYYAI-UHFFFAOYSA-N 0 1 420.878 3.727 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1noc2ccccc21 ZINC000516208939 1006945801 /nfs/dbraw/zinc/94/58/01/1006945801.db2.gz PKFZKOBCLGRICK-UHFFFAOYSA-N 0 1 402.215 3.521 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)N(C)C)cc1OC ZINC000516272099 1006986523 /nfs/dbraw/zinc/98/65/23/1006986523.db2.gz XYHGBLWHYWREPK-MRXNPFEDSA-N 0 1 422.869 3.690 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN([C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000534952169 1006996873 /nfs/dbraw/zinc/99/68/73/1006996873.db2.gz UDISZYOZXQJDQE-HOTGVXAUSA-N 0 1 407.474 3.986 20 5 HHBDMN COc1cc(CN2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538726436 1007005382 /nfs/dbraw/zinc/00/53/82/1007005382.db2.gz RSWDFLGWMXNWOZ-APWZRJJASA-N 0 1 400.475 3.918 20 5 HHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccccc3OCc3ccncc3)C2)nc1 ZINC000538736381 1007019222 /nfs/dbraw/zinc/01/92/22/1007019222.db2.gz YJDKUMAMMCPNKG-LJQANCHMSA-N 0 1 405.458 3.650 20 5 HHBDMN Cc1c(CC(=O)Nc2nc(-c3ccccc3Br)n[nH]2)cccc1[N+](=O)[O-] ZINC000532684870 1007098980 /nfs/dbraw/zinc/09/89/80/1007098980.db2.gz ZUJYVPUUTXMJSO-UHFFFAOYSA-N 0 1 416.235 3.632 20 5 HHBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000539020444 1007317538 /nfs/dbraw/zinc/31/75/38/1007317538.db2.gz KFXBJQWENFZRKF-HNNXBMFYSA-N 0 1 415.471 3.517 20 5 HHBDMN Cc1c([C@@H](C)NCc2ccccc2CS(=O)(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000539044697 1007342028 /nfs/dbraw/zinc/34/20/28/1007342028.db2.gz UJYHUCBELHKLAG-QGZVFWFLSA-N 0 1 417.531 3.680 20 5 HHBDMN COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000532976469 1007346268 /nfs/dbraw/zinc/34/62/68/1007346268.db2.gz CECZZNPORATXCY-HOCLYGCPSA-N 0 1 401.438 3.634 20 5 HHBDMN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1OC(F)F ZINC000539251868 1007545034 /nfs/dbraw/zinc/54/50/34/1007545034.db2.gz CQGXPOACJZWJIS-CQSZACIVSA-N 0 1 409.389 3.884 20 5 HHBDMN CCCOc1ccc([C@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000539254739 1007548983 /nfs/dbraw/zinc/54/89/83/1007548983.db2.gz RMUZVDZRMYLUFB-HNNXBMFYSA-N 0 1 413.474 3.632 20 5 HHBDMN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(OCC(F)(F)F)cc1 ZINC000539262300 1007557928 /nfs/dbraw/zinc/55/79/28/1007557928.db2.gz FAGAKFKQCZAKTG-CYBMUJFWSA-N 0 1 423.391 3.776 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000535506882 1007562416 /nfs/dbraw/zinc/56/24/16/1007562416.db2.gz IUCRZQGHDZORKZ-UHFFFAOYSA-N 0 1 400.460 3.722 20 5 HHBDMN C[C@@H](NCC(=O)N(C)Cc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000539279465 1007575106 /nfs/dbraw/zinc/57/51/06/1007575106.db2.gz DMXPCOQYHCZGME-CYBMUJFWSA-N 0 1 406.280 3.667 20 5 HHBDMN CN1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H]1c1ccc(Cl)cc1 ZINC000535542630 1007583330 /nfs/dbraw/zinc/58/33/30/1007583330.db2.gz OQUJYWDZVDSKFL-FOIQADDNSA-N 0 1 400.866 3.990 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)CCOc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000535648961 1007658265 /nfs/dbraw/zinc/65/82/65/1007658265.db2.gz YVLLAQXZYWYZNB-MRXNPFEDSA-N 0 1 408.458 3.955 20 5 HHBDMN CCOc1ccc([C@H](C)NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000539381389 1007685759 /nfs/dbraw/zinc/68/57/59/1007685759.db2.gz VUDDQTYIGKLQLS-HOTGVXAUSA-N 0 1 415.490 3.839 20 5 HHBDMN Cc1c(NC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)cccc1[N+](=O)[O-] ZINC000517523014 1007741804 /nfs/dbraw/zinc/74/18/04/1007741804.db2.gz VVNCUMXUFXOYPW-UHFFFAOYSA-N 0 1 404.511 3.838 20 5 HHBDMN CC(C)(C)c1ccc(S(=O)(=O)CCNC/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000539447395 1007759045 /nfs/dbraw/zinc/75/90/45/1007759045.db2.gz VCISSOPZERPZED-VURMDHGXSA-N 0 1 402.516 3.969 20 5 HHBDMN COc1cc(CN2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000535801462 1007808560 /nfs/dbraw/zinc/80/85/60/1007808560.db2.gz OCARHGUGCPAZKL-TZMCWYRMSA-N 0 1 404.385 3.545 20 5 HHBDMN CCc1nsc(N2CCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)n1 ZINC000539825097 1008119109 /nfs/dbraw/zinc/11/91/09/1008119109.db2.gz LFTRCBBKXLPAAB-UHFFFAOYSA-N 0 1 413.503 3.981 20 5 HHBDMN COc1cc(CN2C[C@H](c3cnn(C)c3)C(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000518061649 1008137854 /nfs/dbraw/zinc/13/78/54/1008137854.db2.gz IQIXUULXBWNFAN-CQSZACIVSA-N 0 1 410.421 3.564 20 5 HHBDMN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000518388691 1008285423 /nfs/dbraw/zinc/28/54/23/1008285423.db2.gz IXDUIIYOGQEHSB-UHFFFAOYSA-N 0 1 424.232 3.813 20 5 HHBDMN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000518427609 1008300520 /nfs/dbraw/zinc/30/05/20/1008300520.db2.gz CZINYLCPAIFVBQ-DIFFPNOSSA-N 0 1 400.822 3.727 20 5 HHBDMN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518456809 1008315407 /nfs/dbraw/zinc/31/54/07/1008315407.db2.gz AMMLEDHLCPMLIZ-UHFFFAOYSA-N 0 1 410.777 3.539 20 5 HHBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000540193109 1008329961 /nfs/dbraw/zinc/32/99/61/1008329961.db2.gz WWLBYIBZAAXBQP-MRXNPFEDSA-N 0 1 403.504 3.620 20 5 HHBDMN COc1cc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000540328298 1008382171 /nfs/dbraw/zinc/38/21/71/1008382171.db2.gz UNVYMQYEUZJUSQ-KGLIPLIRSA-N 0 1 417.462 3.607 20 5 HHBDMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000540433487 1008431797 /nfs/dbraw/zinc/43/17/97/1008431797.db2.gz RZKHJTVFZBKDMV-OAHLLOKOSA-N 0 1 406.442 3.955 20 5 HHBDMN CCCc1n[nH]c(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000518827955 1008436427 /nfs/dbraw/zinc/43/64/27/1008436427.db2.gz ZVYVEDPFXXSWCN-HNNXBMFYSA-N 0 1 405.524 3.535 20 5 HHBDMN O=[N+]([O-])c1ccc(N2CCN(CCCCOc3ccccc3C(F)(F)F)CC2)cn1 ZINC000518899326 1008465168 /nfs/dbraw/zinc/46/51/68/1008465168.db2.gz GYMJATJQIGAJDF-UHFFFAOYSA-N 0 1 424.423 3.990 20 5 HHBDMN C[C@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000542968785 1008542679 /nfs/dbraw/zinc/54/26/79/1008542679.db2.gz CHPNVKKJQSUHOJ-RPTJNQDTSA-N 0 1 409.895 3.663 20 5 HHBDMN CCC(CC)CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000519116620 1008545549 /nfs/dbraw/zinc/54/55/49/1008545549.db2.gz PJRGFUPHZFYHGF-UHFFFAOYSA-N 0 1 405.476 3.562 20 5 HHBDMN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1Cc1ccccc1 ZINC000545445363 1008558015 /nfs/dbraw/zinc/55/80/15/1008558015.db2.gz GQXXZACEWSQBTE-SFHVURJKSA-N 0 1 404.470 3.880 20 5 HHBDMN C[C@H](NCC(=O)Nc1cc(N[C@@H](C)c2cccnc2)ccc1[N+](=O)[O-])c1cccnc1 ZINC000543053656 1008633131 /nfs/dbraw/zinc/63/31/31/1008633131.db2.gz YOVUUUHZHUTBGN-HOTGVXAUSA-N 0 1 420.473 3.847 20 5 HHBDMN CC(C)(NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1Br ZINC000543183895 1008758294 /nfs/dbraw/zinc/75/82/94/1008758294.db2.gz IDNCAASOCQXQDF-ZDUSSCGKSA-N 0 1 409.280 3.622 20 5 HHBDMN COc1ccc(-c2cc(-c3nc(Cc4ccc([N+](=O)[O-])c(OC)c4)no3)[nH]n2)cc1 ZINC000545764759 1008853774 /nfs/dbraw/zinc/85/37/74/1008853774.db2.gz ZBLXENBNWSCBKD-UHFFFAOYSA-N 0 1 407.386 3.643 20 5 HHBDMN CC[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1Cc1ccccc1 ZINC000546103706 1009127312 /nfs/dbraw/zinc/12/73/12/1009127312.db2.gz HZAYKAZCXJLERS-LJQANCHMSA-N 0 1 407.474 3.741 20 5 HHBDMN Cc1ccc([C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)N(C)C)cc1 ZINC000520061415 1009223016 /nfs/dbraw/zinc/22/30/16/1009223016.db2.gz APKDLDRPIIKFRC-DEOSSOPVSA-N 0 1 413.521 3.882 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000520155242 1009305303 /nfs/dbraw/zinc/30/53/03/1009305303.db2.gz YNPJFHIFNSLVBE-UHFFFAOYSA-N 0 1 421.381 3.539 20 5 HHBDMN C[C@@H]1C[C@@H]1c1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000546475123 1009495761 /nfs/dbraw/zinc/49/57/61/1009495761.db2.gz RCYOOTCFRWWFFG-BZNIZROVSA-N 0 1 400.416 3.569 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)ccc1[N+](=O)[O-] ZINC000549943442 1009552841 /nfs/dbraw/zinc/55/28/41/1009552841.db2.gz AJGPESFVMFGYDO-UHFFFAOYSA-N 0 1 416.459 3.801 20 5 HHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2Cc2c(F)cccc2Cl)c1 ZINC000520524003 1009613678 /nfs/dbraw/zinc/61/36/78/1009613678.db2.gz XMFPVKWBIAHOSZ-GDBMZVCRSA-N 0 1 408.857 3.834 20 5 HHBDMN COc1ccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)cc1OCc1cccnc1 ZINC000520958797 1010006499 /nfs/dbraw/zinc/00/64/99/1010006499.db2.gz KOSKBOYCZBJSRP-UHFFFAOYSA-N 0 1 409.442 3.876 20 5 HHBDMN O=C(c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1)N1CCOCC1 ZINC000520963639 1010008944 /nfs/dbraw/zinc/00/89/44/1010008944.db2.gz VPXVQEFVSRSNIW-UHFFFAOYSA-N 0 1 421.453 3.617 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000520966457 1010009808 /nfs/dbraw/zinc/00/98/08/1010009808.db2.gz MXBGOYGDXMKELZ-IBGZPJMESA-N 0 1 401.438 3.700 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000544402519 1010022420 /nfs/dbraw/zinc/02/24/20/1010022420.db2.gz GVUJBHJYFVVTSJ-HNNXBMFYSA-N 0 1 400.454 3.618 20 5 HHBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000547945703 1010476294 /nfs/dbraw/zinc/47/62/94/1010476294.db2.gz KRMKBKCLZOSACE-GOSISDBHSA-N 0 1 406.433 3.557 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC000521688000 1010551491 /nfs/dbraw/zinc/55/14/91/1010551491.db2.gz CPEBBQRKRLEITO-SFHVURJKSA-N 0 1 416.430 3.833 20 5 HHBDMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551475159 1010609949 /nfs/dbraw/zinc/60/99/49/1010609949.db2.gz OQCWQEFMZHDKQK-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000522148593 1010833359 /nfs/dbraw/zinc/83/33/59/1010833359.db2.gz DOFOJEWPAGSAPY-UHFFFAOYSA-N 0 1 402.204 3.760 20 5 HHBDMN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000522359299 1010955634 /nfs/dbraw/zinc/95/56/34/1010955634.db2.gz YDJDABAJKXQKQA-UHFFFAOYSA-N 0 1 405.476 3.622 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000540695026 1011347441 /nfs/dbraw/zinc/34/74/41/1011347441.db2.gz PSXXBVIMZWGNNO-UHFFFAOYSA-N 0 1 410.411 3.907 20 5 HHBDMN CN1CC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000536263236 1011431175 /nfs/dbraw/zinc/43/11/75/1011431175.db2.gz KBVGZNQQLKSTFY-NVXWUHKLSA-N 0 1 404.264 3.533 20 5 HHBDMN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000523268999 1011751449 /nfs/dbraw/zinc/75/14/49/1011751449.db2.gz BOLKOAHYGSTXTA-CYBMUJFWSA-N 0 1 413.865 3.689 20 5 HHBDMN CCc1cnccc1[C@@H](C)NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000541194626 1011865198 /nfs/dbraw/zinc/86/51/98/1011865198.db2.gz HKRPTWUWBBEOST-CYBMUJFWSA-N 0 1 411.487 3.965 20 5 HHBDMN C[C@@H](NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000551816165 1011974386 /nfs/dbraw/zinc/97/43/86/1011974386.db2.gz GTSKKMHNBBHEIT-PEBXRYMYSA-N 0 1 408.458 3.671 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000523486111 1012003072 /nfs/dbraw/zinc/00/30/72/1012003072.db2.gz WDZSMGPVAOZNAK-HXUWFJFHSA-N 0 1 411.502 3.834 20 5 HHBDMN COc1ccc(S(=O)(=O)Nc2sc(-c3ccccc3)nc2C)cc1[N+](=O)[O-] ZINC000541307045 1012013425 /nfs/dbraw/zinc/01/34/25/1012013425.db2.gz QDCRXNMYIFLQAD-UHFFFAOYSA-N 0 1 405.457 3.836 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@H]2CCCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000536837378 1012067501 /nfs/dbraw/zinc/06/75/01/1012067501.db2.gz FBDWFXVZUBAWMP-PBHICJAKSA-N 0 1 401.438 3.979 20 5 HHBDMN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000541488610 1012262168 /nfs/dbraw/zinc/26/21/68/1012262168.db2.gz JHQFNQJYIOKUIK-QGZVFWFLSA-N 0 1 412.494 3.850 20 5 HHBDMN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000541516064 1012297483 /nfs/dbraw/zinc/29/74/83/1012297483.db2.gz CGOYBYPZHIRQQI-UHFFFAOYSA-N 0 1 424.804 3.599 20 5 HHBDMN C[C@H]1[C@@H](NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCS1(=O)=O ZINC000552313146 1012323355 /nfs/dbraw/zinc/32/33/55/1012323355.db2.gz PYCGJEJYBJMACN-LRDDRELGSA-N 0 1 410.879 3.706 20 5 HHBDMN C[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000552321393 1012330905 /nfs/dbraw/zinc/33/09/05/1012330905.db2.gz PMPRFNDWGPODCX-NSHDSACASA-N 0 1 418.302 3.531 20 5 HHBDMN CCc1ccc([C@@H](NC[C@@H]2CN(CC(C)C)CCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549866 1012335451 /nfs/dbraw/zinc/33/54/51/1012335451.db2.gz KSZQOJAFQPHBEK-IRLDBZIGSA-N 0 1 401.507 3.786 20 5 HHBDMN COc1ccc(-c2ccc(CN[C@@H]3CCCN(c4cccnc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000541553387 1012341022 /nfs/dbraw/zinc/34/10/22/1012341022.db2.gz GHIWMRBIIHNRBP-LJQANCHMSA-N 0 1 422.441 3.544 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)c3ccoc3)c2)ccc1[N+](=O)[O-] ZINC000523728655 1012344088 /nfs/dbraw/zinc/34/40/88/1012344088.db2.gz JXMPWONDDAPWFR-UHFFFAOYSA-N 0 1 401.400 3.549 20 5 HHBDMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000537074358 1012416223 /nfs/dbraw/zinc/41/62/23/1012416223.db2.gz FHEGQJNPHRFPSG-QRWLVFNGSA-N 0 1 413.474 3.626 20 5 HHBDMN COc1cc(CN(C)C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000552488837 1012513415 /nfs/dbraw/zinc/51/34/15/1012513415.db2.gz MIWMTRHCKDRXDV-XLIONFOSSA-N 0 1 400.475 3.775 20 5 HHBDMN Cc1cc(Cl)c2c(c1)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCCO2 ZINC000541740391 1012596167 /nfs/dbraw/zinc/59/61/67/1012596167.db2.gz LYUQKFLTRAOHMF-SFHVURJKSA-N 0 1 424.906 3.834 20 5 HHBDMN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1 ZINC000541801753 1012680540 /nfs/dbraw/zinc/68/05/40/1012680540.db2.gz IVVOASHOBFXZEN-CYBMUJFWSA-N 0 1 405.476 3.541 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000552813056 1012820346 /nfs/dbraw/zinc/82/03/46/1012820346.db2.gz WCBLNVNXOFGLSR-LJQANCHMSA-N 0 1 408.433 3.829 20 5 HHBDMN CCO[C@@H]1C[C@@H](NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@H]1n1cccn1 ZINC000567474281 1072916585 /nfs/dbraw/zinc/91/65/85/1072916585.db2.gz SHMJZDMSYCYQFC-DUXKGJEZSA-N 0 1 412.446 3.568 20 5 HHBDMN CCOC(=O)c1n[n-]c(-c2cccc(C[NH2+]CC(C)=Cc3cccc([N+](=O)[O-])c3)c2)n1 ZINC000554879607 1072931647 /nfs/dbraw/zinc/93/16/47/1072931647.db2.gz WYYWGZFVMZXUKR-XNTDXEJSSA-N 0 1 421.457 3.750 20 5 HHBDMN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(Cc2ccccc2C)CC1 ZINC000555084121 1073147217 /nfs/dbraw/zinc/14/72/17/1073147217.db2.gz XLORNEBUJIMMEG-UHFFFAOYSA-N 0 1 406.490 3.504 20 5 HHBDMN CN(C)c1nc2ccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])cc2[nH]1 ZINC000555317027 1073329638 /nfs/dbraw/zinc/32/96/38/1073329638.db2.gz KAXKJIHFYFPNQL-UHFFFAOYSA-N 0 1 423.351 3.731 20 5 HHBDMN CCOc1cc(CN[C@@H](C)CF)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000588930949 1073348132 /nfs/dbraw/zinc/34/81/32/1073348132.db2.gz ZYQIBBOQGPVTCN-AWEZNQCLSA-N 0 1 420.437 3.887 20 5 HHBDMN COc1cc([C@H](C)NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1OCCO ZINC000555421242 1073444960 /nfs/dbraw/zinc/44/49/60/1073444960.db2.gz WOXWKYFAHAPEMY-LBPRGKRZSA-N 0 1 414.380 3.844 20 5 HHBDMN CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555527387 1073587386 /nfs/dbraw/zinc/58/73/86/1073587386.db2.gz DCYBEVRBLGCCRE-UHFFFAOYSA-N 0 1 405.454 3.638 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2noc(CNC3(Cc4ccc(F)cc4)CCOCC3)n2)cc1 ZINC000590186434 1073632018 /nfs/dbraw/zinc/63/20/18/1073632018.db2.gz PWPQGCSHZNJJBY-UHFFFAOYSA-N 0 1 412.421 3.665 20 5 HHBDMN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(F)c(Br)c1 ZINC000590195093 1073643654 /nfs/dbraw/zinc/64/36/54/1073643654.db2.gz WNEDGCLQAVFKGI-LLVKDONJSA-N 0 1 422.254 3.736 20 5 HHBDMN COc1ccc([C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccco2)cc1 ZINC001212184535 1075686370 /nfs/dbraw/zinc/68/63/70/1075686370.db2.gz KKZQGLZMVOIPLE-GOSISDBHSA-N 0 1 422.846 3.918 20 5 HHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]2C ZINC001164856181 720956345 /nfs/dbraw/zinc/95/63/45/720956345.db2.gz CDSQZKFQGBGJPF-NSHDSACASA-N 0 1 413.309 3.915 20 5 HHBDMN CCOc1nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001164994901 722204951 /nfs/dbraw/zinc/20/49/51/722204951.db2.gz JMUVVDXNBKULFX-OAQYLSRUSA-N 0 1 400.454 3.773 20 5 HHBDMN O=C1COc2cc([N+](=O)[O-])c(NC3CCN(Cc4ccc(Cl)cc4)CC3)cc2N1 ZINC000301599476 970997395 /nfs/dbraw/zinc/99/73/95/970997395.db2.gz HWQKXOQWVLOZML-UHFFFAOYSA-N 0 1 416.865 3.656 20 5 HHBDMN COC(=O)c1cc(NC2CCN(Cc3ccc(F)cc3)CC2)cc(C)c1[N+](=O)[O-] ZINC000301697250 971032121 /nfs/dbraw/zinc/03/21/21/971032121.db2.gz 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O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000432948724 979019824 /nfs/dbraw/zinc/01/98/24/979019824.db2.gz KQPQPHHCLMAGRO-CYBMUJFWSA-N 0 1 412.748 3.811 20 5 HHBDMN CC1(C)C[C@@H](NCc2cccc(C(=O)N3CCOCC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433142832 979096723 /nfs/dbraw/zinc/09/67/23/979096723.db2.gz FSIOEHZAHYKXBY-OAQYLSRUSA-N 0 1 409.486 3.579 20 5 HHBDMN CC1(C)C[C@@H](NCc2cccc(NC(=O)Cn3cccn3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433147132 979099279 /nfs/dbraw/zinc/09/92/79/979099279.db2.gz NKEMDICEWUVUDW-OAQYLSRUSA-N 0 1 419.485 3.942 20 5 HHBDMN C[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000433165970 979110956 /nfs/dbraw/zinc/11/09/56/979110956.db2.gz WLWRVKCNAZTOIE-XOBRGWDASA-N 0 1 417.531 3.918 20 5 HHBDMN COc1ccc(CN2CC[C@@H](N[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000433279283 979212760 /nfs/dbraw/zinc/21/27/60/979212760.db2.gz QDPAPSKGYRQYIN-RTWAWAEBSA-N 0 1 409.486 3.717 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1[N+](=O)[O-] ZINC000434017458 979761413 /nfs/dbraw/zinc/76/14/13/979761413.db2.gz NOWGSXAWTXPQPF-CYBMUJFWSA-N 0 1 402.842 3.948 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000434191686 979957487 /nfs/dbraw/zinc/95/74/87/979957487.db2.gz PFSKZWQSIHQPEF-UHFFFAOYSA-N 0 1 411.437 3.861 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000434237885 980007355 /nfs/dbraw/zinc/00/73/55/980007355.db2.gz TYVUYYMUDILMHY-CYBMUJFWSA-N 0 1 405.886 3.614 20 5 HHBDMN CC(C)[C@H](c1ccc(F)cc1)N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000434623485 980304217 /nfs/dbraw/zinc/30/42/17/980304217.db2.gz LMACNYLZBIMSIZ-HXUWFJFHSA-N 0 1 403.410 3.730 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccc(Br)c(C)c2)c1[N+](=O)[O-] ZINC000435967430 981120212 /nfs/dbraw/zinc/12/02/12/981120212.db2.gz OBWHXVQEAJJWDU-CQSZACIVSA-N 0 1 407.268 3.929 20 5 HHBDMN Cc1cc2cc[nH]c2cc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000436185303 981240164 /nfs/dbraw/zinc/24/01/64/981240164.db2.gz ZHDQGNWXXFSBSZ-UHFFFAOYSA-N 0 1 410.249 3.948 20 5 HHBDMN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)o1 ZINC000436239066 981264225 /nfs/dbraw/zinc/26/42/25/981264225.db2.gz KLGANPLAUZHUAT-UHFFFAOYSA-N 0 1 403.482 3.787 20 5 HHBDMN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000436898329 981605737 /nfs/dbraw/zinc/60/57/37/981605737.db2.gz GJDLGBUAKMNSFL-UHFFFAOYSA-N 0 1 415.449 3.828 20 5 HHBDMN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000437002527 981679057 /nfs/dbraw/zinc/67/90/57/981679057.db2.gz YNZSANBTPOQVJF-GOSISDBHSA-N 0 1 421.457 3.505 20 5 HHBDMN COc1ccc(-c2ccc(CN3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000448362977 981724651 /nfs/dbraw/zinc/72/46/51/981724651.db2.gz PLUTWTNZYPAUKZ-ZSDSOXJFSA-N 0 1 402.447 3.632 20 5 HHBDMN CO[C@@H](C)c1nc(CN2CCCN(Cc3cccc([N+](=O)[O-])c3C)CC2)cs1 ZINC000437528961 982155380 /nfs/dbraw/zinc/15/53/80/982155380.db2.gz WUVWZEQNUOPNIN-INIZCTEOSA-N 0 1 404.536 3.775 20 5 HHBDMN CCOC(=O)c1cc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)cc([N+](=O)[O-])c1 ZINC000438367075 982748740 /nfs/dbraw/zinc/74/87/40/982748740.db2.gz ZBBKGDZNNVDHOE-UHFFFAOYSA-N 0 1 411.458 3.995 20 5 HHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000461115940 982808993 /nfs/dbraw/zinc/80/89/93/982808993.db2.gz IESSFNLZVAJSSW-UHFFFAOYSA-N 0 1 401.894 3.819 20 5 HHBDMN COc1cc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000439448299 983414316 /nfs/dbraw/zinc/41/43/16/983414316.db2.gz GJHHZVCFLCWRKM-INIZCTEOSA-N 0 1 407.352 3.620 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nncn1C(C)C ZINC000439878555 983566347 /nfs/dbraw/zinc/56/63/47/983566347.db2.gz CJFANSBQHUQSCM-UHFFFAOYSA-N 0 1 415.475 3.797 20 5 HHBDMN COc1ccc(S(=O)(=O)Nc2cnccc2-c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000439883355 983568732 /nfs/dbraw/zinc/56/87/32/983568732.db2.gz OQMVRQXQRZLXMK-UHFFFAOYSA-N 0 1 403.391 3.605 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000439905888 983578460 /nfs/dbraw/zinc/57/84/60/983578460.db2.gz VBBKBOITQNEPAI-QGZVFWFLSA-N 0 1 402.451 3.935 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000440135731 983655631 /nfs/dbraw/zinc/65/56/31/983655631.db2.gz VGMWPUQATSYASU-LLVKDONJSA-N 0 1 413.261 3.871 20 5 HHBDMN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000440746644 983882703 /nfs/dbraw/zinc/88/27/03/983882703.db2.gz JXXNDEJUMAXZQT-KRWDZBQOSA-N 0 1 400.822 3.867 20 5 HHBDMN Cc1ccc([C@H](Cn2ccnc2)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441378731 984219049 /nfs/dbraw/zinc/21/90/49/984219049.db2.gz OINYGMZPOIAEMM-XLIONFOSSA-N 0 1 407.474 3.766 20 5 HHBDMN Cc1ccc([C@@H](Cn2ccnc2)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441384344 984222841 /nfs/dbraw/zinc/22/28/41/984222841.db2.gz NQQCDILROAXZBB-LAUBAEHRSA-N 0 1 407.474 3.766 20 5 HHBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000441539138 984310771 /nfs/dbraw/zinc/31/07/71/984310771.db2.gz AFFQOMYPSIZCTE-VIFPVBQESA-N 0 1 408.329 3.672 20 5 HHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCSCC2)c1 ZINC000442328564 984830450 /nfs/dbraw/zinc/83/04/50/984830450.db2.gz WXCNTCBBMSOMSY-UHFFFAOYSA-N 0 1 413.908 3.602 20 5 HHBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(Br)c1 ZINC000462015461 984993889 /nfs/dbraw/zinc/99/38/89/984993889.db2.gz JYYUCOSJDRGWLR-SNVBAGLBSA-N 0 1 416.235 3.885 20 5 HHBDMN C[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1ccccc1 ZINC000462126800 985096827 /nfs/dbraw/zinc/09/68/27/985096827.db2.gz GPJXPPNWWOACKW-JTQLQIEISA-N 0 1 405.259 3.647 20 5 HHBDMN COc1ccc(C2(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000462145510 985116687 /nfs/dbraw/zinc/11/66/87/985116687.db2.gz XJDYDGFSODQUEZ-UHFFFAOYSA-N 0 1 417.270 3.878 20 5 HHBDMN Cc1[nH]nc(C(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000442978294 985314066 /nfs/dbraw/zinc/31/40/66/985314066.db2.gz CNBDNIOZLXMZHH-UHFFFAOYSA-N 0 1 407.268 3.583 20 5 HHBDMN Cc1cc(N2CC[C@H](NCc3cccc([N+](=O)[O-])c3)C2=O)ccc1Br ZINC000462361919 985349618 /nfs/dbraw/zinc/34/96/18/985349618.db2.gz ZGPHEHGBAVTYCF-KRWDZBQOSA-N 0 1 404.264 3.561 20 5 HHBDMN O=C1Nc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)c3cccc1c23 ZINC000462384668 985367678 /nfs/dbraw/zinc/36/76/78/985367678.db2.gz QWIODVQRCHRWRF-UHFFFAOYSA-N 0 1 420.406 3.663 20 5 HHBDMN COc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1F ZINC000462422495 985394962 /nfs/dbraw/zinc/39/49/62/985394962.db2.gz OFTAYWXCXZJCPF-UHFFFAOYSA-N 0 1 409.222 3.528 20 5 HHBDMN CN(C)Cc1cc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)ccc1F ZINC000462499398 985451821 /nfs/dbraw/zinc/45/18/21/985451821.db2.gz IIJYHJNGYZUNNX-UHFFFAOYSA-N 0 1 410.449 4.382 20 5 HHBDMN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000443514970 985686205 /nfs/dbraw/zinc/68/62/05/985686205.db2.gz AHADZBJLDFNBGY-DOMZBBRYSA-N 0 1 400.426 4.565 20 5 HHBDMN O=C1CCc2cc([N+](=O)[O-])c(Sc3nc(-c4cc(F)cc(F)c4)n[nH]3)cc2N1 ZINC000462916234 985848586 /nfs/dbraw/zinc/84/85/86/985848586.db2.gz ZKJLUMYARMABPF-UHFFFAOYSA-N 0 1 403.370 3.694 20 5 HHBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1OCCCO ZINC000463035640 985994365 /nfs/dbraw/zinc/99/43/65/985994365.db2.gz IMUIRAKTXWJYKK-CYBMUJFWSA-N 0 1 409.280 3.969 20 5 HHBDMN NC(=O)c1ccc(N2CCN(C3c4ccccc4-c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000443890825 986090568 /nfs/dbraw/zinc/09/05/68/986090568.db2.gz CLXBTRBUNWWUHG-UHFFFAOYSA-N 0 1 414.465 3.586 20 5 HHBDMN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000468458626 986153029 /nfs/dbraw/zinc/15/30/29/986153029.db2.gz RBBPAXUAZNEGQB-LJQANCHMSA-N 0 1 413.468 3.810 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@@H](c4ncc(C(F)(F)F)[nH]4)C3)n2)cc1 ZINC000443957880 986165251 /nfs/dbraw/zinc/16/52/51/986165251.db2.gz KTVUCSMKDYIGMS-LLVKDONJSA-N 0 1 408.340 3.771 20 5 HHBDMN CCc1[nH]nc(C(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)c(C)c2)c1[N+](=O)[O-] ZINC000444177548 986355935 /nfs/dbraw/zinc/35/59/35/986355935.db2.gz XMNVYEZBKORWKQ-LJQANCHMSA-N 0 1 411.437 3.975 20 5 HHBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCc1cccc(Br)c1 ZINC000463416561 986387421 /nfs/dbraw/zinc/38/74/21/986387421.db2.gz BHKLOUFUBCMIEV-CYBMUJFWSA-N 0 1 406.280 3.859 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000444220177 986404197 /nfs/dbraw/zinc/40/41/97/986404197.db2.gz ZKEGAUMOPQCXQA-LEOMRAHMSA-N 0 1 405.495 3.602 20 5 HHBDMN CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc2[nH]c(CCN3CCOCC3)nc2c1 ZINC000468747995 986461288 /nfs/dbraw/zinc/46/12/88/986461288.db2.gz HBXQTQXUCXDLKX-LGMDPLHJSA-N 0 1 421.501 3.861 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c2ncccc12 ZINC000463520810 986497660 /nfs/dbraw/zinc/49/76/60/986497660.db2.gz YFKJTPLTMHXKRL-UHFFFAOYSA-N 0 1 413.333 3.842 20 5 HHBDMN COc1cccc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1[N+](=O)[O-] ZINC000444370564 986547341 /nfs/dbraw/zinc/54/73/41/986547341.db2.gz ZSJYWGAIHGETFV-OAHLLOKOSA-N 0 1 411.380 3.655 20 5 HHBDMN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1C1CC1 ZINC000463801751 986793445 /nfs/dbraw/zinc/79/34/45/986793445.db2.gz SERLKXHUJGIMAW-LBPRGKRZSA-N 0 1 415.475 3.989 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cccc(-c3nc(C)cs3)c2)ccc1[N+](=O)[O-] ZINC000469101260 986816959 /nfs/dbraw/zinc/81/69/59/986816959.db2.gz XVUILHWEQJJUDU-UHFFFAOYSA-N 0 1 405.457 3.836 20 5 HHBDMN COc1ccccc1-c1n[nH]c(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)n1 ZINC000444848015 987006216 /nfs/dbraw/zinc/00/62/16/987006216.db2.gz KLTSEVFOFLPBBF-UHFFFAOYSA-N 0 1 411.421 3.727 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000444901050 987049701 /nfs/dbraw/zinc/04/97/01/987049701.db2.gz JYCBZZOSNOIIMZ-HNNXBMFYSA-N 0 1 422.445 3.800 20 5 HHBDMN CN1CCN(c2ccc(Cl)cc2NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000445663926 987732674 /nfs/dbraw/zinc/73/26/74/987732674.db2.gz IYZMXFDWWLBKMA-UHFFFAOYSA-N 0 1 402.882 3.571 20 5 HHBDMN COC(=O)[C@@](C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000470150818 988059243 /nfs/dbraw/zinc/05/92/43/988059243.db2.gz YHRPORUHHRWJEI-NRFANRHFSA-N 0 1 411.483 3.939 20 5 HHBDMN CCc1[nH]nc(C(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000471447271 989632806 /nfs/dbraw/zinc/63/28/06/989632806.db2.gz QLXHLSQTQBQJPO-VIFPVBQESA-N 0 1 401.250 3.727 20 5 HHBDMN CCc1[nH]nc(C(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000471447270 989632889 /nfs/dbraw/zinc/63/28/89/989632889.db2.gz QLXHLSQTQBQJPO-SECBINFHSA-N 0 1 401.250 3.727 20 5 HHBDMN CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000465297031 989654353 /nfs/dbraw/zinc/65/43/53/989654353.db2.gz IKUIWPHTIHEJST-PBHICJAKSA-N 0 1 417.487 3.656 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000466427737 991717139 /nfs/dbraw/zinc/71/71/39/991717139.db2.gz DFMZKLONTRBTDW-HXUWFJFHSA-N 0 1 401.438 3.700 20 5 HHBDMN Cc1ccc(-c2nc(CNS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])co2)cc1 ZINC000466934464 992245653 /nfs/dbraw/zinc/24/56/53/992245653.db2.gz XIEZCFRINRCUTC-UHFFFAOYSA-N 0 1 407.835 3.690 20 5 HHBDMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000480725776 993593752 /nfs/dbraw/zinc/59/37/52/993593752.db2.gz FGBJGUIXBADOLW-YOEHRIQHSA-N 0 1 421.906 3.553 20 5 HHBDMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480734993 993600566 /nfs/dbraw/zinc/60/05/66/993600566.db2.gz WDNFPKPTRNEXSP-HKUYNNGSSA-N 0 1 415.515 3.517 20 5 HHBDMN CC(C)CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCc2cccnc21 ZINC000481333079 994153656 /nfs/dbraw/zinc/15/36/56/994153656.db2.gz QKEARVWTSPLOLQ-HXUWFJFHSA-N 0 1 408.502 3.915 20 5 HHBDMN CC(C)CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCc2cccnc21 ZINC000481430502 994265583 /nfs/dbraw/zinc/26/55/83/994265583.db2.gz AAYWILBVHMSIQG-OAQYLSRUSA-N 0 1 408.502 3.915 20 5 HHBDMN Cc1c([C@H](C)NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000481581333 994420734 /nfs/dbraw/zinc/42/07/34/994420734.db2.gz LWPFVXRWHKLROP-INIZCTEOSA-N 0 1 405.520 3.783 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000473763044 994677974 /nfs/dbraw/zinc/67/79/74/994677974.db2.gz JKDLKJIRSXELKY-UHFFFAOYSA-N 0 1 411.439 3.756 20 5 HHBDMN COC(=O)COc1ccc(CN[C@@H]2CCSc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000474348485 995328210 /nfs/dbraw/zinc/32/82/10/995328210.db2.gz MPCNGYNQNKECSW-OAHLLOKOSA-N 0 1 406.435 3.612 20 5 HHBDMN COC(=O)COc1ccc(CN[C@H]2CC(C)(C)Cc3oc(C)cc32)cc1[N+](=O)[O-] ZINC000474355362 995335203 /nfs/dbraw/zinc/33/52/03/995335203.db2.gz ONUWMQBEOWFFCA-INIZCTEOSA-N 0 1 402.447 3.851 20 5 HHBDMN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000475187448 995982807 /nfs/dbraw/zinc/98/28/07/995982807.db2.gz YGHSLHKGTVDOKE-AWEZNQCLSA-N 0 1 406.324 3.643 20 5 HHBDMN COc1cc(CN2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475564442 996220946 /nfs/dbraw/zinc/22/09/46/996220946.db2.gz YFYJATPQLGNLQZ-QGZVFWFLSA-N 0 1 406.401 3.936 20 5 HHBDMN COc1ccc(CN2CCCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)CC2)cc1 ZINC000475641222 996270851 /nfs/dbraw/zinc/27/08/51/996270851.db2.gz TUQDIDSHJUMYNB-UHFFFAOYSA-N 0 1 412.490 3.960 20 5 HHBDMN COC(=O)COc1ccc(CN2CCC[C@@H]2c2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000475716258 996319037 /nfs/dbraw/zinc/31/90/37/996319037.db2.gz PLWKVXBCNSEVCZ-LJQANCHMSA-N 0 1 413.474 3.550 20 5 HHBDMN Cc1nnc(-c2cc(F)ccc2NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000475829893 996398788 /nfs/dbraw/zinc/39/87/88/996398788.db2.gz LTCBZQIAGDKJET-UHFFFAOYSA-N 0 1 406.395 3.510 20 5 HHBDMN Cc1c(CNC(=O)C(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)cccc1[N+](=O)[O-] ZINC000483813318 996404641 /nfs/dbraw/zinc/40/46/41/996404641.db2.gz CRBPAZQEBJSOEG-MRXNPFEDSA-N 0 1 424.501 3.518 20 5 HHBDMN COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475928048 996477529 /nfs/dbraw/zinc/47/75/29/996477529.db2.gz VFBFUCXJSRFVEB-UHFFFAOYSA-N 0 1 413.430 3.578 20 5 HHBDMN O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476227098 996689975 /nfs/dbraw/zinc/68/99/75/996689975.db2.gz GTRBEIUIUHRGRN-UHFFFAOYSA-N 0 1 411.393 3.677 20 5 HHBDMN COCc1ccccc1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000485395119 997823751 /nfs/dbraw/zinc/82/37/51/997823751.db2.gz CNBVHVFSLIOIML-UHFFFAOYSA-N 0 1 415.265 3.613 20 5 HHBDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477271360 997949424 /nfs/dbraw/zinc/94/94/24/997949424.db2.gz YLJHHLJRRCIUJH-CQSZACIVSA-N 0 1 408.462 3.939 20 5 HHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(F)cc2-c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000478697530 999093716 /nfs/dbraw/zinc/09/37/16/999093716.db2.gz AUYRTJDUCQWTKW-UHFFFAOYSA-N 0 1 424.841 3.897 20 5 HHBDMN COc1cccc(-c2cc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)[nH]n2)c1 ZINC000487334363 999138500 /nfs/dbraw/zinc/13/85/00/999138500.db2.gz NZXZGJBKJOWHMM-UHFFFAOYSA-N 0 1 404.386 3.636 20 5 HHBDMN Cc1nc(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)[nH]c1-c1ccccc1 ZINC000488263991 999415696 /nfs/dbraw/zinc/41/56/96/999415696.db2.gz LCYGAZHXTSZOAR-UHFFFAOYSA-N 0 1 412.427 3.753 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c3cccnc23)cc1[N+](=O)[O-] ZINC000479566276 999480825 /nfs/dbraw/zinc/48/08/25/999480825.db2.gz CNUSCADHSNBPMD-UHFFFAOYSA-N 0 1 409.370 3.854 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)NCc3cccc([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000479751564 999571873 /nfs/dbraw/zinc/57/18/73/999571873.db2.gz TXSSWLAKZFZZMJ-RBBKRZOGSA-N 0 1 424.501 3.689 20 5 HHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n[nH]1 ZINC000489189448 999719134 /nfs/dbraw/zinc/71/91/34/999719134.db2.gz JYOGZVAHDWGREN-UWVGGRQHSA-N 0 1 415.372 3.659 20 5 HHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n[nH]1 ZINC000489227803 999726379 /nfs/dbraw/zinc/72/63/79/999726379.db2.gz JQGJPSDRUBQHQE-LSDHHAIUSA-N 0 1 403.486 3.664 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[C@@H](C)[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000480141980 999728838 /nfs/dbraw/zinc/72/88/38/999728838.db2.gz GMZAGEDEGIKCLQ-HIFRSBDPSA-N 0 1 417.487 3.575 20 5 HHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n[nH]1 ZINC000489281788 999736270 /nfs/dbraw/zinc/73/62/70/999736270.db2.gz OPWIYOQALKYDJZ-GJZGRUSLSA-N 0 1 414.510 3.954 20 5 HHBDMN O=C(Cc1csc(-c2ccccc2)n1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490362842 999944945 /nfs/dbraw/zinc/94/49/45/999944945.db2.gz GTUXIIKKWAZCNT-UHFFFAOYSA-N 0 1 406.427 3.685 20 5 HHBDMN O=[N+]([O-])c1cccc([C@@H](NC[C@H](O)COc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC000491008012 1000033578 /nfs/dbraw/zinc/03/35/78/1000033578.db2.gz OZTGRODRRRIJJD-AVRDEDQJSA-N 0 1 414.408 3.992 20 5 HHBDMN CN(CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)Cc1ccc(F)cc1 ZINC000491331456 1000065744 /nfs/dbraw/zinc/06/57/44/1000065744.db2.gz GFTCVMAMDMDTFS-UHFFFAOYSA-N 0 1 400.454 3.540 20 5 HHBDMN COc1c(S(=O)(=O)Nc2ccc(F)cc2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000491604337 1000089089 /nfs/dbraw/zinc/08/90/89/1000089089.db2.gz LIDXFOLXJXOJCB-UHFFFAOYSA-N 0 1 419.228 3.614 20 5 HHBDMN COc1c(S(=O)(=O)Nc2ccc(C)cc2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000491604689 1000089229 /nfs/dbraw/zinc/08/92/29/1000089229.db2.gz OPXFPDBRCDMZGR-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN COc1cc(N[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])c(OC)c3)C2)cc(OC)c1 ZINC000492727163 1000141531 /nfs/dbraw/zinc/14/15/31/1000141531.db2.gz GLCPNCADJGUZDL-MRXNPFEDSA-N 0 1 401.463 3.697 20 5 HHBDMN COc1ccc([C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)N2CCCC2)cc1 ZINC000493667003 1000183903 /nfs/dbraw/zinc/18/39/03/1000183903.db2.gz PVYAOLKSGYENHM-FQEVSTJZSA-N 0 1 408.458 3.652 20 5 HHBDMN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000493924066 1000216674 /nfs/dbraw/zinc/21/66/74/1000216674.db2.gz GLXWVKRJSCQJPS-WILYLXEWSA-N 0 1 405.401 3.628 20 5 HHBDMN COC(=O)c1cccc2nc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[nH]c21 ZINC000494131053 1000322706 /nfs/dbraw/zinc/32/27/06/1000322706.db2.gz ORAQLDGBZAILAW-UHFFFAOYSA-N 0 1 408.292 3.529 20 5 HHBDMN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494495178 1000523346 /nfs/dbraw/zinc/52/33/46/1000523346.db2.gz MKZPJCSEPWVLNK-PDSMFRHLSA-N 0 1 407.829 3.834 20 5 HHBDMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494500685 1000527366 /nfs/dbraw/zinc/52/73/66/1000527366.db2.gz FMCJKCRAGLQLQL-SJLPKXTDSA-N 0 1 410.257 3.960 20 5 HHBDMN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000494505867 1000530505 /nfs/dbraw/zinc/53/05/05/1000530505.db2.gz ILSFGXDVDDMFIO-LLVKDONJSA-N 0 1 409.368 3.629 20 5 HHBDMN COCCSc1ccc([C@@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000505149211 1000578909 /nfs/dbraw/zinc/57/89/09/1000578909.db2.gz RGWFTFFGCHSOSW-GFCCVEGCSA-N 0 1 400.460 3.701 20 5 HHBDMN COc1cc([C@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1OCc1ccncc1 ZINC000505800019 1001033337 /nfs/dbraw/zinc/03/33/37/1001033337.db2.gz ZCGQGQIAOIMTNY-AWEZNQCLSA-N 0 1 423.425 3.774 20 5 HHBDMN Cc1ccccc1CN1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000506085408 1001211105 /nfs/dbraw/zinc/21/11/05/1001211105.db2.gz JYTQVOSTCVLBQM-UHFFFAOYSA-N 0 1 405.502 3.622 20 5 HHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000506182677 1001264835 /nfs/dbraw/zinc/26/48/35/1001264835.db2.gz LUHHEUOHOWTNJX-GOSISDBHSA-N 0 1 415.833 3.542 20 5 HHBDMN Cn1c2ccccc2nc1[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000506209953 1001280339 /nfs/dbraw/zinc/28/03/39/1001280339.db2.gz YDTMAXYIJLBUFJ-FQEVSTJZSA-N 0 1 402.410 3.707 20 5 HHBDMN O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506361053 1001377541 /nfs/dbraw/zinc/37/75/41/1001377541.db2.gz BQWAGFAKNNVXIL-UHFFFAOYSA-N 0 1 404.382 3.779 20 5 HHBDMN Cc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000506452279 1001419522 /nfs/dbraw/zinc/41/95/22/1001419522.db2.gz QYHDITHDPAIXEB-WMLDXEAASA-N 0 1 421.881 3.870 20 5 HHBDMN Cc1cc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497542171 1001427599 /nfs/dbraw/zinc/42/75/99/1001427599.db2.gz YDDRZOPPUOOZKE-MRXNPFEDSA-N 0 1 405.462 3.740 20 5 HHBDMN Cc1cc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497542171 1001427602 /nfs/dbraw/zinc/42/76/02/1001427602.db2.gz YDDRZOPPUOOZKE-MRXNPFEDSA-N 0 1 405.462 3.740 20 5 HHBDMN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506490941 1001437537 /nfs/dbraw/zinc/43/75/37/1001437537.db2.gz YYMKGWFETZPFFC-INIZCTEOSA-N 0 1 424.240 3.851 20 5 HHBDMN CCN([C@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000497981854 1001589484 /nfs/dbraw/zinc/58/94/84/1001589484.db2.gz FGRZVEINWOKWFZ-QAPCUYQASA-N 0 1 421.494 3.580 20 5 HHBDMN CN1CCO[C@H]([C@H](NC/C=C/c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000498352939 1001790809 /nfs/dbraw/zinc/79/08/09/1001790809.db2.gz JLYKACSNTWUCMK-UNDPWIFGSA-N 0 1 401.894 3.923 20 5 HHBDMN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507083947 1001797294 /nfs/dbraw/zinc/79/72/94/1001797294.db2.gz IVWNDCBMCOWTNJ-APPDUMDISA-N 0 1 421.247 3.665 20 5 HHBDMN Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507291608 1001975691 /nfs/dbraw/zinc/97/56/91/1001975691.db2.gz NXKLMADOEXQBBC-SFHVURJKSA-N 0 1 421.457 3.505 20 5 HHBDMN CCN1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507335362 1002006866 /nfs/dbraw/zinc/00/68/66/1002006866.db2.gz ZDJCFDXITKOFRY-ZWKOTPCHSA-N 0 1 407.829 3.658 20 5 HHBDMN CC(C)N1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000507354591 1002017987 /nfs/dbraw/zinc/01/79/87/1002017987.db2.gz 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APKDLDRPIIKFRC-XMMPIXPASA-N 0 1 413.521 3.882 20 5 HHBDMN COc1cccc(N2C[C@@H](NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2=O)c1 ZINC000520216005 1009346700 /nfs/dbraw/zinc/34/67/00/1009346700.db2.gz NILRRELUXWOKHQ-HNNXBMFYSA-N 0 1 407.426 3.759 20 5 HHBDMN COc1ccc(-c2n[nH]c(Sc3ccc(C(C)=O)cc3[N+](=O)[O-])n2)c(OC)c1 ZINC000520566757 1009649430 /nfs/dbraw/zinc/64/94/30/1009649430.db2.gz JIYNFKGGDDFPCX-UHFFFAOYSA-N 0 1 400.416 3.751 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)NC(C)(C)CC)cc1 ZINC000520767885 1009836993 /nfs/dbraw/zinc/83/69/93/1009836993.db2.gz DPPRFUDOLNQCPE-UHFFFAOYSA-N 0 1 419.503 3.876 20 5 HHBDMN COc1ccc(CN[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000550291359 1009837814 /nfs/dbraw/zinc/83/78/14/1009837814.db2.gz BOVOQHCHKGHGBV-KSSFIOAISA-N 0 1 401.438 3.584 20 5 HHBDMN CCOc1cccc2cc([C@@H](C)NCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)oc21 ZINC000544484587 1010108049 /nfs/dbraw/zinc/10/80/49/1010108049.db2.gz OBQVYZXRGIBDBD-CQSZACIVSA-N 0 1 409.442 3.980 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000544574206 1010203041 /nfs/dbraw/zinc/20/30/41/1010203041.db2.gz NFUJBDVMGPOOSU-KRWDZBQOSA-N 0 1 410.879 3.525 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000544607781 1010234864 /nfs/dbraw/zinc/23/48/64/1010234864.db2.gz DWAIHOQTNDANHR-MRXNPFEDSA-N 0 1 417.531 3.614 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc3c2CN(c2ccccn2)C3)c1 ZINC000544646507 1010271354 /nfs/dbraw/zinc/27/13/54/1010271354.db2.gz PNEXDHDVWNCMMW-UHFFFAOYSA-N 0 1 424.482 3.928 20 5 HHBDMN Cc1c(NC(=O)[C@@H](C)N2CCCN(Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000550998254 1010307618 /nfs/dbraw/zinc/30/76/18/1010307618.db2.gz VVZLQLVWMSWWGC-QGZVFWFLSA-N 0 1 414.481 3.577 20 5 HHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCCC1(O)CCC1)c1ccccc1 ZINC000551000980 1010309159 /nfs/dbraw/zinc/30/91/59/1010309159.db2.gz BFWYRGIHMNKLMC-SFHVURJKSA-N 0 1 403.866 3.823 20 5 HHBDMN C[C@H](c1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1)C1CC1 ZINC000545105850 1010617851 /nfs/dbraw/zinc/61/78/51/1010617851.db2.gz HPJZWMOKZONPSK-LBPRGKRZSA-N 0 1 414.443 3.959 20 5 HHBDMN Cc1ccc(C=Cc2n[nH]c(S[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)n2)o1 ZINC000521837414 1010649216 /nfs/dbraw/zinc/64/92/16/1010649216.db2.gz IDXKYHCCPXIYTP-XITLMJRVSA-N 0 1 411.443 3.682 20 5 HHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000545199689 1010681113 /nfs/dbraw/zinc/68/11/13/1010681113.db2.gz SASNKNVISXYZML-HXUWFJFHSA-N 0 1 410.518 3.550 20 5 HHBDMN C[C@H](N[C@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000551719525 1010760731 /nfs/dbraw/zinc/76/07/31/1010760731.db2.gz ZJJYONBMBXDACE-GTNSWQLSSA-N 0 1 419.279 3.820 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccccc2Sc2nccn2C)ccc1[N+](=O)[O-] ZINC000522359062 1010955678 /nfs/dbraw/zinc/95/56/78/1010955678.db2.gz RPBSUUAJXDSWBK-UHFFFAOYSA-N 0 1 404.473 3.589 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000522362031 1010957675 /nfs/dbraw/zinc/95/76/75/1010957675.db2.gz VZUFPRLPDRNXKQ-OAHLLOKOSA-N 0 1 415.471 3.999 20 5 HHBDMN Cc1ccc(C[C@@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccn2)cc1 ZINC000522380049 1010969280 /nfs/dbraw/zinc/96/92/80/1010969280.db2.gz XJPNSPRWWWRUCU-DHIUTWEWSA-N 0 1 416.481 3.977 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@H](O)C[C@H]3c3ccc(F)c(F)c3)o2)c1 ZINC000536239963 1011392963 /nfs/dbraw/zinc/39/29/63/1011392963.db2.gz PPYXJQVXPUSCAF-APWZRJJASA-N 0 1 415.396 3.878 20 5 HHBDMN CCOc1ccc([C@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc1[N+](=O)[O-] ZINC000540749366 1011402282 /nfs/dbraw/zinc/40/22/82/1011402282.db2.gz BVLITTSGGWZMCG-KXBFYZLASA-N 0 1 412.490 3.616 20 5 HHBDMN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000540845908 1011509707 /nfs/dbraw/zinc/50/97/07/1011509707.db2.gz OFQQQCAOZUMHII-CQSZACIVSA-N 0 1 401.442 3.920 20 5 HHBDMN Cc1c(CC(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000540850400 1011514247 /nfs/dbraw/zinc/51/42/47/1011514247.db2.gz DYQMEULWAWHTEW-GOSISDBHSA-N 0 1 405.458 3.637 20 5 HHBDMN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000540851238 1011516871 /nfs/dbraw/zinc/51/68/71/1011516871.db2.gz NMAORWXNHDBJFV-OAHLLOKOSA-N 0 1 416.441 3.881 20 5 HHBDMN CCOc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000540851589 1011517871 /nfs/dbraw/zinc/51/78/71/1011517871.db2.gz VQAYRDUKWVHCDU-QGZVFWFLSA-N 0 1 421.457 3.798 20 5 HHBDMN O=C(CN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000540863837 1011536393 /nfs/dbraw/zinc/53/63/93/1011536393.db2.gz RMDVUBPNKTYJFG-MRXNPFEDSA-N 0 1 412.494 3.579 20 5 HHBDMN O=C(CN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000540863837 1011536406 /nfs/dbraw/zinc/53/64/06/1011536406.db2.gz RMDVUBPNKTYJFG-MRXNPFEDSA-N 0 1 412.494 3.579 20 5 HHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC3(C[C@@H]3C(=O)OC)CC2)cc1OC ZINC000541056212 1011696415 /nfs/dbraw/zinc/69/64/15/1011696415.db2.gz DZJFHXPXXLIASP-NVXWUHKLSA-N 0 1 420.506 3.803 20 5 HHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000536530605 1011721133 /nfs/dbraw/zinc/72/11/33/1011721133.db2.gz OQTFPHRUXKYAHY-UHFFFAOYSA-N 0 1 414.531 3.707 20 5 HHBDMN COc1ccc(CN(Cc2c([N+](=O)[O-])ncn2C)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000536743469 1011926233 /nfs/dbraw/zinc/92/62/33/1011926233.db2.gz DNTFSAOVXGWWOQ-DOTOQJQBSA-N 0 1 402.495 3.926 20 5 HHBDMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000536754144 1011944766 /nfs/dbraw/zinc/94/47/66/1011944766.db2.gz KQBHTSWYYJEULP-LJQANCHMSA-N 0 1 402.454 3.661 20 5 HHBDMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000536754143 1011944883 /nfs/dbraw/zinc/94/48/83/1011944883.db2.gz KQBHTSWYYJEULP-IBGZPJMESA-N 0 1 402.454 3.661 20 5 HHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n[nH]1 ZINC000552202563 1012215786 /nfs/dbraw/zinc/21/57/86/1012215786.db2.gz BWTGOGNGSMHORX-WPRPVWTQSA-N 0 1 410.272 3.788 20 5 HHBDMN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000541507445 1012286741 /nfs/dbraw/zinc/28/67/41/1012286741.db2.gz CZJOQJWISWCTMQ-OAHLLOKOSA-N 0 1 416.441 3.881 20 5 HHBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000541552496 1012339218 /nfs/dbraw/zinc/33/92/18/1012339218.db2.gz JCSFZHAGTFCPGT-IBGZPJMESA-N 0 1 418.444 3.922 20 5 HHBDMN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000537061178 1012396837 /nfs/dbraw/zinc/39/68/37/1012396837.db2.gz GQWUSNWFCCZDAC-ACJLOTCBSA-N 0 1 423.391 3.992 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4C)C3)[nH]c2c1 ZINC000537163469 1012565543 /nfs/dbraw/zinc/56/55/43/1012565543.db2.gz ZNMAYBUNXUWQHH-OAHLLOKOSA-N 0 1 414.487 3.656 20 5 HHBDMN Cc1cc(Br)cc2c1CN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)CC2 ZINC000537170567 1012575149 /nfs/dbraw/zinc/57/51/49/1012575149.db2.gz FCTJNJNKJAGBAQ-UHFFFAOYSA-N 0 1 415.247 3.741 20 5 HHBDMN CC(=O)Nc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)ccc1C ZINC000542000873 1012881434 /nfs/dbraw/zinc/88/14/34/1012881434.db2.gz VGGHVEGUJPHZDG-UHFFFAOYSA-N 0 1 417.365 3.681 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)N1CCCC1 ZINC000542033926 1012932116 /nfs/dbraw/zinc/93/21/16/1012932116.db2.gz UFMQBCCLQFFNSN-GOSISDBHSA-N 0 1 414.462 3.571 20 5 HHBDMN C[C@@H](NCC(=O)Nc1cc(N[C@H](C)c2cccnc2)ccc1[N+](=O)[O-])c1cccnc1 ZINC000611932139 1072159383 /nfs/dbraw/zinc/15/93/83/1072159383.db2.gz YOVUUUHZHUTBGN-HZPDHXFCSA-N 0 1 420.473 3.847 20 5 HHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3scnc3c2)ccc1Br ZINC000760341519 1072264710 /nfs/dbraw/zinc/26/47/10/1072264710.db2.gz BPZIFSQWXMSHTR-UHFFFAOYSA-N 0 1 414.262 3.768 20 5 HHBDMN O=C(c1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1)N1CCCCC1 ZINC000912764394 1072279449 /nfs/dbraw/zinc/27/94/49/1072279449.db2.gz BTGJJQCYCQJDIF-UHFFFAOYSA-N 0 1 423.878 3.675 20 5 HHBDMN Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(CC[N@H+](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000479130685 1072740806 /nfs/dbraw/zinc/74/08/06/1072740806.db2.gz NBJXASGWKWRCBJ-UHFFFAOYSA-N 0 1 403.504 3.649 20 5 HHBDMN CN1CC[C@@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000588008685 1072743598 /nfs/dbraw/zinc/74/35/98/1072743598.db2.gz DAHNCAITCAOSOK-KPZWWZAWSA-N 0 1 408.861 3.567 20 5 HHBDMN COc1ccc(CN[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000555605691 1073670436 /nfs/dbraw/zinc/67/04/36/1073670436.db2.gz JUILNRCIFJHEJS-KSSFIOAISA-N 0 1 401.438 3.584 20 5 HHBDMN C[C@@H]1CN([C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C[C@H](C)N1C ZINC000555659488 1073712500 /nfs/dbraw/zinc/71/25/00/1073712500.db2.gz RFUIBYATJMKHPO-MDOVXXIYSA-N 0 1 416.909 3.952 20 5 HHBDMN O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000590400022 1073785474 /nfs/dbraw/zinc/78/54/74/1073785474.db2.gz PAFBESNAHOOALW-UHFFFAOYSA-N 0 1 407.430 3.546 20 5 HHBDMN CSc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[nH]2)cc1[N+](=O)[O-] ZINC000590557027 1073891691 /nfs/dbraw/zinc/89/16/91/1073891691.db2.gz WOVBLQUEPQJFNL-UHFFFAOYSA-N 0 1 406.427 3.902 20 5 HHBDMN COc1cc(F)cc(CNCc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000573023276 1074062732 /nfs/dbraw/zinc/06/27/32/1074062732.db2.gz IJHUPTKGMIFYQS-UHFFFAOYSA-N 0 1 416.190 3.637 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164695347 719890877 /nfs/dbraw/zinc/89/08/77/719890877.db2.gz OUFSTHWIYORGMF-UHFFFAOYSA-N 0 1 408.911 3.576 20 5 HHBDMN CN(C)[C@H](CNc1ccc(I)cc1[N+](=O)[O-])c1ccco1 ZINC000301178609 970790258 /nfs/dbraw/zinc/79/02/58/970790258.db2.gz NYIVGJZFPIEINF-CYBMUJFWSA-N 0 1 401.204 3.507 20 5 HHBDMN Cc1ccnc(Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)c1[N+](=O)[O-] ZINC000301306190 970858731 /nfs/dbraw/zinc/85/87/31/970858731.db2.gz URJMMMYDNRXFTR-UHFFFAOYSA-N 0 1 404.474 3.759 20 5 HHBDMN O=C1COc2cc([N+](=O)[O-])c(NC[C@@H](c3cccc(Cl)c3)N3CCCC3)cc2N1 ZINC000301686610 971028096 /nfs/dbraw/zinc/02/80/96/971028096.db2.gz LXJKJLMLOZVDOJ-SFHVURJKSA-N 0 1 416.865 3.828 20 5 HHBDMN C[C@H](c1ccncc1)N1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301813855 971073536 /nfs/dbraw/zinc/07/35/36/971073536.db2.gz ZIUPDDPXYIYYGG-GFCCVEGCSA-N 0 1 406.284 3.785 20 5 HHBDMN CCOc1cc(NC2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)ncn1 ZINC000302230565 971213405 /nfs/dbraw/zinc/21/34/05/971213405.db2.gz YJGVCRDIASVNGH-UHFFFAOYSA-N 0 1 408.462 3.721 20 5 HHBDMN Cc1cc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302383581 971230117 /nfs/dbraw/zinc/23/01/17/971230117.db2.gz DWWBCLPTVPETJN-UHFFFAOYSA-N 0 1 424.408 3.648 20 5 HHBDMN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000537548392 1013066092 /nfs/dbraw/zinc/06/60/92/1013066092.db2.gz GKVFARCZYPKCRI-HNNXBMFYSA-N 0 1 416.441 3.881 20 5 HHBDMN COC(=O)c1cnc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000302784766 971318283 /nfs/dbraw/zinc/31/82/83/971318283.db2.gz UZDYBJWAIFCGDO-UHFFFAOYSA-N 0 1 404.854 3.506 20 5 HHBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000303302121 971613050 /nfs/dbraw/zinc/61/30/50/971613050.db2.gz MXYXZHKAXJKIAE-UHFFFAOYSA-N 0 1 402.882 3.594 20 5 HHBDMN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](c1ccco1)N1CCCC1 ZINC000537604655 1013146446 /nfs/dbraw/zinc/14/64/46/1013146446.db2.gz ADVHQFICYCGBAB-KRWDZBQOSA-N 0 1 406.870 3.520 20 5 HHBDMN COC(=O)C[C@@H]1CSCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537618617 1013160636 /nfs/dbraw/zinc/16/06/36/1013160636.db2.gz HHVUPHHAIWHHEI-CYBMUJFWSA-N 0 1 410.879 3.989 20 5 HHBDMN CCOc1ccc2nc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)[nH]c2c1 ZINC000005667452 960761383 /nfs/dbraw/zinc/76/13/83/960761383.db2.gz RWYHOXYRWQYGNG-LLVKDONJSA-N 0 1 416.459 3.998 20 5 HHBDMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000009837380 961690553 /nfs/dbraw/zinc/69/05/53/961690553.db2.gz ZBSKHEMGHSZYQL-UHFFFAOYSA-N 0 1 407.814 3.903 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000016642518 963080479 /nfs/dbraw/zinc/08/04/79/963080479.db2.gz VOANFBACXFZWSO-AWEZNQCLSA-N 0 1 417.487 3.576 20 5 HHBDMN CC(C)OC(=O)C[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000024482538 964008621 /nfs/dbraw/zinc/00/86/21/964008621.db2.gz WWTIRZJLEHSSHL-HNNXBMFYSA-N 0 1 406.822 3.767 20 5 HHBDMN CC(C)NC(=O)c1ccc(NC[C@H](C)N2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000025500592 964287775 /nfs/dbraw/zinc/28/77/75/964287775.db2.gz IAKRPWJWWBAGPL-AWEZNQCLSA-N 0 1 402.520 3.653 20 5 HHBDMN COc1ccc2oc([C@H](C)NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000542582032 1013523211 /nfs/dbraw/zinc/52/32/11/1013523211.db2.gz BNDXAGOMVYAGBT-AWEZNQCLSA-N 0 1 418.471 3.783 20 5 HHBDMN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cccc1[N+](=O)[O-] ZINC000028351266 965083055 /nfs/dbraw/zinc/08/30/55/965083055.db2.gz FJEUBTXOFSVPSI-CABCVRRESA-N 0 1 410.474 3.930 20 5 HHBDMN COc1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1[N+](=O)[O-] ZINC000054217471 965429951 /nfs/dbraw/zinc/42/99/51/965429951.db2.gz KSSMSRXHADJHFD-UHFFFAOYSA-N 0 1 404.854 3.503 20 5 HHBDMN CC(C)[C@@H](CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000029839965 965519215 /nfs/dbraw/zinc/51/92/15/965519215.db2.gz PYFXCEUBMIZIAA-JOCHJYFZSA-N 0 1 410.518 3.510 20 5 HHBDMN Cc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055615622 965963098 /nfs/dbraw/zinc/96/30/98/965963098.db2.gz PGJASMSNVYOTPP-UHFFFAOYSA-N 0 1 411.439 3.956 20 5 HHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCc2c(Br)ccc(F)c2C1 ZINC000542695359 1013613146 /nfs/dbraw/zinc/61/31/46/1013613146.db2.gz VIPFUBXWMPWXAY-UHFFFAOYSA-N 0 1 419.210 3.571 20 5 HHBDMN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196449 966254967 /nfs/dbraw/zinc/25/49/67/966254967.db2.gz YRHXTHPXKWQAIB-JKSUJKDBSA-N 0 1 412.490 3.755 20 5 HHBDMN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000032465455 966262934 /nfs/dbraw/zinc/26/29/34/966262934.db2.gz BTGKVEYVKWAQOA-GFCCVEGCSA-N 0 1 409.446 3.526 20 5 HHBDMN Cc1c(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000032466166 966262996 /nfs/dbraw/zinc/26/29/96/966262996.db2.gz XMQRYYGKCWZBDH-UHFFFAOYSA-N 0 1 419.445 3.910 20 5 HHBDMN CC(C)CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036661600 966438174 /nfs/dbraw/zinc/43/81/74/966438174.db2.gz FALNALPJQAYMFS-HNNXBMFYSA-N 0 1 419.503 3.950 20 5 HHBDMN COc1cc(CNc2nnc(-c3cc4c(s3)CCCC4)o2)cc([N+](=O)[O-])c1O ZINC000542763715 1013668841 /nfs/dbraw/zinc/66/88/41/1013668841.db2.gz CGRFMGZQYOSAAG-UHFFFAOYSA-N 0 1 402.432 3.911 20 5 HHBDMN C[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2ccccc2C1 ZINC000064907837 967325472 /nfs/dbraw/zinc/32/54/72/967325472.db2.gz HBUUZWHUGDYXQB-OAHLLOKOSA-N 0 1 422.510 3.895 20 5 HHBDMN COc1cccc(OC)c1OC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065535010 967510260 /nfs/dbraw/zinc/51/02/60/967510260.db2.gz WNDWYTODZIVOEG-UHFFFAOYSA-N 0 1 402.447 3.534 20 5 HHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](Cn3ccnn3)C2)cc1OC ZINC000542915235 1013754864 /nfs/dbraw/zinc/75/48/64/1013754864.db2.gz KXIBDCWNRUQQPR-IAGOWNOFSA-N 0 1 417.510 3.532 20 5 HHBDMN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000538207606 1013761031 /nfs/dbraw/zinc/76/10/31/1013761031.db2.gz HKZQNUNJOVLOFJ-ZDUSSCGKSA-N 0 1 416.865 3.664 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](COc1ccccc1)c1ccccc1 ZINC000538216482 1013768113 /nfs/dbraw/zinc/76/81/13/1013768113.db2.gz CQGAKYIHTDZOEL-OAQYLSRUSA-N 0 1 421.453 3.952 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC000047608581 968256790 /nfs/dbraw/zinc/25/67/90/968256790.db2.gz FFBQNYUAYZSMHC-ZIAGYGMSSA-N 0 1 417.462 3.689 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000047609127 968257110 /nfs/dbraw/zinc/25/71/10/968257110.db2.gz LURDREIJFVBUCQ-CABCVRRESA-N 0 1 401.463 3.988 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC000047608579 968257130 /nfs/dbraw/zinc/25/71/30/968257130.db2.gz FFBQNYUAYZSMHC-KBPBESRZSA-N 0 1 417.462 3.689 20 5 HHBDMN CN(C)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cccs1 ZINC000047864584 968346234 /nfs/dbraw/zinc/34/62/34/968346234.db2.gz TUXZYQSKKMSVIR-GFCCVEGCSA-N 0 1 400.407 3.682 20 5 HHBDMN CN(C)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 ZINC000048095607 968421058 /nfs/dbraw/zinc/42/10/58/968421058.db2.gz VHEREIPSZANULU-HNNXBMFYSA-N 0 1 412.368 3.760 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4C)C3)[nH]c2c1 ZINC000538265299 1013806970 /nfs/dbraw/zinc/80/69/70/1013806970.db2.gz MKAYPUSWEABEEN-HNNXBMFYSA-N 0 1 414.487 3.656 20 5 HHBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC ZINC000538280991 1013819256 /nfs/dbraw/zinc/81/92/56/1013819256.db2.gz ZMSQRFVFENBEGV-OAHLLOKOSA-N 0 1 401.463 3.990 20 5 HHBDMN COc1cc(C(=O)N2CCCN(C)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000097617424 969178294 /nfs/dbraw/zinc/17/82/94/969178294.db2.gz YYLGTUSVJRSRLS-UHFFFAOYSA-N 0 1 419.865 3.827 20 5 HHBDMN C[C@@H](Nc1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000108785183 969419427 /nfs/dbraw/zinc/41/94/27/969419427.db2.gz REMGYVNUAOIJRB-QGZVFWFLSA-N 0 1 423.517 3.863 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000138951223 970016483 /nfs/dbraw/zinc/01/64/83/970016483.db2.gz IIYNWPGQNHNNCN-UHFFFAOYSA-N 0 1 401.488 3.713 20 5 HHBDMN COc1ccc([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000217148884 970083444 /nfs/dbraw/zinc/08/34/44/970083444.db2.gz GDEWEXUSSMYPOS-LBPRGKRZSA-N 0 1 422.279 3.680 20 5 HHBDMN COc1ccc([C@@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000217148873 970083496 /nfs/dbraw/zinc/08/34/96/970083496.db2.gz GDEWEXUSSMYPOS-GFCCVEGCSA-N 0 1 422.279 3.680 20 5 HHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(OCC(F)(F)F)cc1 ZINC000140987394 970094613 /nfs/dbraw/zinc/09/46/13/970094613.db2.gz GMUQPRQJRMDMFC-JTQLQIEISA-N 0 1 408.336 3.903 20 5 HHBDMN CC[C@@H](C)NC(=O)c1cccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236897414 970185925 /nfs/dbraw/zinc/18/59/25/970185925.db2.gz VPQAYEDNFJCGHL-MRXNPFEDSA-N 0 1 421.501 3.813 20 5 HHBDMN COc1cc(CNCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)ccn1 ZINC000237257961 970250264 /nfs/dbraw/zinc/25/02/64/970250264.db2.gz WXPJEHAGWFLQKG-UHFFFAOYSA-N 0 1 409.442 3.876 20 5 HHBDMN COc1cc(CN[C@H]2c3ccccc3C[C@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237362291 970270381 /nfs/dbraw/zinc/27/03/81/970270381.db2.gz GQMLTAMNTZQQQP-QPPBQGQZSA-N 0 1 420.465 3.930 20 5 HHBDMN Cn1cc(CNCc2cnn(Cc3ccccc3)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237783067 970365970 /nfs/dbraw/zinc/36/59/70/970365970.db2.gz LYTNTFHBHMAFQW-UHFFFAOYSA-N 0 1 402.458 3.530 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3cccnc3N3CCOCC3)s2)cc1 ZINC000238001698 970415475 /nfs/dbraw/zinc/41/54/75/970415475.db2.gz IPWHOLZTIRWARQ-UHFFFAOYSA-N 0 1 410.499 3.845 20 5 HHBDMN CCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(=O)Nc1ccccc1C ZINC000150118234 970428339 /nfs/dbraw/zinc/42/83/39/970428339.db2.gz GZDZQCAUXNUQLE-UHFFFAOYSA-N 0 1 412.490 3.891 20 5 HHBDMN COc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)N2CCCC2)cc1 ZINC000248252986 970523814 /nfs/dbraw/zinc/52/38/14/970523814.db2.gz QMZMWNKJRIVONB-IBGZPJMESA-N 0 1 403.866 3.824 20 5 HHBDMN CCN(CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)CCC(F)(F)F ZINC000427198859 974972442 /nfs/dbraw/zinc/97/24/42/974972442.db2.gz ITRIEKZZGASIGK-UHFFFAOYSA-N 0 1 416.425 3.722 20 5 HHBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427457082 975128740 /nfs/dbraw/zinc/12/87/40/975128740.db2.gz RWJRJRJKZIROIK-LJQANCHMSA-N 0 1 422.832 3.776 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(CN2CCSCC2)ccc1C ZINC000427472040 975136779 /nfs/dbraw/zinc/13/67/79/975136779.db2.gz CWRWVPFSAUYKLN-UHFFFAOYSA-N 0 1 401.488 3.713 20 5 HHBDMN C[C@H](O)CN1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000428414945 975734078 /nfs/dbraw/zinc/73/40/78/975734078.db2.gz SINWTLPFFCHUES-HNNXBMFYSA-N 0 1 405.882 3.539 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000429914294 977189307 /nfs/dbraw/zinc/18/93/07/977189307.db2.gz OMTHEPFPYFSEOM-FQEVSTJZSA-N 0 1 411.502 3.834 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000430212090 977394418 /nfs/dbraw/zinc/39/44/18/977394418.db2.gz ZGYQINOZZSJTRJ-HNNXBMFYSA-N 0 1 416.453 3.776 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000431169921 978070815 /nfs/dbraw/zinc/07/08/15/978070815.db2.gz AKYSAORGBLEERJ-MRXNPFEDSA-N 0 1 410.243 3.529 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000431785803 978512190 /nfs/dbraw/zinc/51/21/90/978512190.db2.gz PMIMZUWNBOHDQW-INIZCTEOSA-N 0 1 410.243 3.529 20 5 HHBDMN C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000431918356 978600173 /nfs/dbraw/zinc/60/01/73/978600173.db2.gz HJOAPHCEFMQDLJ-ZBFHGGJFSA-N 0 1 423.922 3.580 20 5 HHBDMN C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000431918356 978600176 /nfs/dbraw/zinc/60/01/76/978600176.db2.gz HJOAPHCEFMQDLJ-ZBFHGGJFSA-N 0 1 423.922 3.580 20 5 HHBDMN COc1cc(NC(=O)CCN(C)Cc2ccccc2[N+](=O)[O-])c(OC)cc1Cl ZINC000433278424 979211818 /nfs/dbraw/zinc/21/18/18/979211818.db2.gz HUWRJMLWCKUCNJ-UHFFFAOYSA-N 0 1 407.854 3.726 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccccc1Cl ZINC000433862087 979633077 /nfs/dbraw/zinc/63/30/77/979633077.db2.gz IMEPIUOQWMYFFD-HNNXBMFYSA-N 0 1 407.902 3.908 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000433939801 979698372 /nfs/dbraw/zinc/69/83/72/979698372.db2.gz HWUJGDULEMAXLD-ZDUSSCGKSA-N 0 1 413.261 3.962 20 5 HHBDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000435522795 980918145 /nfs/dbraw/zinc/91/81/45/980918145.db2.gz PLUJORIPAICTPU-UHFFFAOYSA-N 0 1 406.486 3.632 20 5 HHBDMN C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H](C)C1 ZINC000436113465 981206668 /nfs/dbraw/zinc/20/66/68/981206668.db2.gz YYFXHKKLVPRHMF-ZIAGYGMSSA-N 0 1 413.468 3.810 20 5 HHBDMN O=c1c2ccccc2nc(SCc2cc(O)ccc2[N+](=O)[O-])n1Cc1ccco1 ZINC000436473750 981392433 /nfs/dbraw/zinc/39/24/33/981392433.db2.gz LQCJGSWSYNMTKH-UHFFFAOYSA-N 0 1 409.423 3.944 20 5 HHBDMN CCC(=O)c1ccc(O)c(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000436829302 981579606 /nfs/dbraw/zinc/57/96/06/981579606.db2.gz AYPKXEQYKLSKMP-UHFFFAOYSA-N 0 1 404.444 3.774 20 5 HHBDMN C[N@H+]1CC[C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436986487 981668215 /nfs/dbraw/zinc/66/82/15/981668215.db2.gz JTXIEAGUPIPSJC-SCLBCKFNSA-N 0 1 407.829 3.516 20 5 HHBDMN C[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCc2ccccc2C1 ZINC000438018389 982527288 /nfs/dbraw/zinc/52/72/88/982527288.db2.gz WQFDQFMSEAJWPX-QGZVFWFLSA-N 0 1 408.502 3.716 20 5 HHBDMN CCCc1[nH]nc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)c1[N+](=O)[O-] ZINC000438090540 982583010 /nfs/dbraw/zinc/58/30/10/982583010.db2.gz BWFASKNKHJWXJR-UHFFFAOYSA-N 0 1 417.429 3.975 20 5 HHBDMN CCCc1[nH]nc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1[N+](=O)[O-] ZINC000438090540 982583016 /nfs/dbraw/zinc/58/30/16/982583016.db2.gz BWFASKNKHJWXJR-UHFFFAOYSA-N 0 1 417.429 3.975 20 5 HHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000461041239 982742291 /nfs/dbraw/zinc/74/22/91/982742291.db2.gz GGERUEOHVLOZDZ-QGZVFWFLSA-N 0 1 407.392 3.547 20 5 HHBDMN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cc2)n1 ZINC000461559261 983195410 /nfs/dbraw/zinc/19/54/10/983195410.db2.gz PXNQBGUYBOBASQ-CQSZACIVSA-N 0 1 404.430 3.765 20 5 HHBDMN Cc1c(CC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)cccc1[N+](=O)[O-] ZINC000439842696 983555523 /nfs/dbraw/zinc/55/55/23/983555523.db2.gz PCGDQGPWSNRVEA-UHFFFAOYSA-N 0 1 405.336 3.888 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnccc1-c1cccc(F)c1 ZINC000439881028 983567339 /nfs/dbraw/zinc/56/73/39/983567339.db2.gz UOBIESXUMAJBAW-UHFFFAOYSA-N 0 1 403.391 3.605 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000439892178 983573096 /nfs/dbraw/zinc/57/30/96/983573096.db2.gz ROLVNIUVRUTHPP-OAHLLOKOSA-N 0 1 413.478 3.736 20 5 HHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000440180833 983672367 /nfs/dbraw/zinc/67/23/67/983672367.db2.gz ADHDHVJJSKHWJY-INIZCTEOSA-N 0 1 411.506 3.750 20 5 HHBDMN CCCc1[nH]nc(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)c1[N+](=O)[O-] ZINC000440467288 983767576 /nfs/dbraw/zinc/76/75/76/983767576.db2.gz RCOZCMKIPAUMPE-UHFFFAOYSA-N 0 1 404.477 3.763 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441541684 984312692 /nfs/dbraw/zinc/31/26/92/984312692.db2.gz FFNQDTUFVBIXBZ-HNNXBMFYSA-N 0 1 424.841 3.789 20 5 HHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441659136 984379080 /nfs/dbraw/zinc/37/90/80/984379080.db2.gz OEMDHJUNEURRAU-JQVVWYNYSA-N 0 1 409.486 3.941 20 5 HHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)c1 ZINC000442222483 984742148 /nfs/dbraw/zinc/74/21/48/984742148.db2.gz NQBAKCKYKYAPEQ-UHFFFAOYSA-N 0 1 412.349 3.600 20 5 HHBDMN O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)N1CCCCC1 ZINC000442333927 984837846 /nfs/dbraw/zinc/83/78/46/984837846.db2.gz DGVVARCUZZWJLQ-UHFFFAOYSA-N 0 1 423.878 3.675 20 5 HHBDMN C[C@@H](COc1cccc(F)c1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462185427 985166654 /nfs/dbraw/zinc/16/66/54/985166654.db2.gz DQALVAWGUILHFQ-VIFPVBQESA-N 0 1 423.249 3.787 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)cc1C ZINC000462327495 985317818 /nfs/dbraw/zinc/31/78/18/985317818.db2.gz OSXOJOSHZMKNSK-BEFAXECRSA-N 0 1 423.560 3.635 20 5 HHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000462767305 985704648 /nfs/dbraw/zinc/70/46/48/985704648.db2.gz KXZGSQWGOUDISZ-GOSISDBHSA-N 0 1 411.502 3.759 20 5 HHBDMN CNc1c(C(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000462925951 985860010 /nfs/dbraw/zinc/86/00/10/985860010.db2.gz NXEZVSMMDPMGKM-IBGZPJMESA-N 0 1 412.490 3.602 20 5 HHBDMN COc1ccc(NC(=O)CCN2CC[C@H](Oc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000443661215 985861940 /nfs/dbraw/zinc/86/19/40/985861940.db2.gz SBQYZMNILWUWAR-HNNXBMFYSA-N 0 1 419.865 3.739 20 5 HHBDMN CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443711004 985922557 /nfs/dbraw/zinc/92/25/57/985922557.db2.gz QMUUJTATLJUYSC-DYESRHJHSA-N 0 1 417.531 3.582 20 5 HHBDMN Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000443745077 985959140 /nfs/dbraw/zinc/95/91/40/985959140.db2.gz IPGGOSXRTANORH-ZETCQYMHSA-N 0 1 408.263 3.588 20 5 HHBDMN COc1cc(CN2CC[C@H](n3cccn3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000463034282 985993873 /nfs/dbraw/zinc/99/38/73/985993873.db2.gz MSAQCKHDMOTOEP-FQEVSTJZSA-N 0 1 408.458 3.826 20 5 HHBDMN CN(CC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000463103786 986063737 /nfs/dbraw/zinc/06/37/37/986063737.db2.gz XPPXBUFJVSLOBI-FQEVSTJZSA-N 0 1 416.909 3.638 20 5 HHBDMN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000443954630 986163041 /nfs/dbraw/zinc/16/30/41/986163041.db2.gz CAOUHDXOUKIFDP-UHFFFAOYSA-N 0 1 417.465 3.848 20 5 HHBDMN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444002870 986200148 /nfs/dbraw/zinc/20/01/48/986200148.db2.gz KUNVVMFSAASUFR-KBPBESRZSA-N 0 1 413.468 3.952 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])N1CCCCC1 ZINC000444028053 986222686 /nfs/dbraw/zinc/22/26/86/986222686.db2.gz GKTCCOANPYPZDN-SFHVURJKSA-N 0 1 413.474 3.569 20 5 HHBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444036761 986233891 /nfs/dbraw/zinc/23/38/91/986233891.db2.gz YNPRNOPQPMHQPA-UHFFFAOYSA-N 0 1 417.375 3.997 20 5 HHBDMN CNC(=O)N[C@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000468679981 986390074 /nfs/dbraw/zinc/39/00/74/986390074.db2.gz AWBMEJQSNBAEIA-HNNXBMFYSA-N 0 1 404.854 3.544 20 5 HHBDMN COc1cccc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000444261973 986458911 /nfs/dbraw/zinc/45/89/11/986458911.db2.gz HWZDSUVWDGFJDB-HNNXBMFYSA-N 0 1 423.391 3.627 20 5 HHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000468826337 986536382 /nfs/dbraw/zinc/53/63/82/986536382.db2.gz DPVOHJKNQKSFDI-VXGBXAGGSA-N 0 1 403.320 3.539 20 5 HHBDMN CCc1[nH]nc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c1[N+](=O)[O-] ZINC000444354888 986536489 /nfs/dbraw/zinc/53/64/89/986536489.db2.gz ZKYNLHNAMILKIH-UHFFFAOYSA-N 0 1 418.841 3.635 20 5 HHBDMN O=C(Nc1ccc(C(=O)NC2CCCCC2)c(O)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000444372111 986548674 /nfs/dbraw/zinc/54/86/74/986548674.db2.gz ICZUAMMBHVUGNS-UHFFFAOYSA-N 0 1 401.394 3.754 20 5 HHBDMN CC(C)[C@H](CN(C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000468882122 986589139 /nfs/dbraw/zinc/58/91/39/986589139.db2.gz HINUYPSOAOJHKF-IBGZPJMESA-N 0 1 405.520 3.567 20 5 HHBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000468908378 986614595 /nfs/dbraw/zinc/61/45/95/986614595.db2.gz GTLVROTZKSWNFT-LLVKDONJSA-N 0 1 412.414 3.701 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)ccc1[N+](=O)[O-] ZINC000469085904 986798519 /nfs/dbraw/zinc/79/85/19/986798519.db2.gz XBBIZBBSGOWBEB-UHFFFAOYSA-N 0 1 403.416 3.676 20 5 HHBDMN CCC[C@@]1(C(=O)OCC)CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000444773531 986932297 /nfs/dbraw/zinc/93/22/97/986932297.db2.gz DVESDYNIZZXALJ-NRFANRHFSA-N 0 1 401.463 3.990 20 5 HHBDMN COc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)N2CCCC2)cc1 ZINC000444894512 987043658 /nfs/dbraw/zinc/04/36/58/987043658.db2.gz ITGSKUCWPMAMPO-IBGZPJMESA-N 0 1 414.462 3.571 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000444920383 987068012 /nfs/dbraw/zinc/06/80/12/987068012.db2.gz KDOBMXNMVZCJOD-MRXNPFEDSA-N 0 1 408.418 3.758 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000444920383 987068022 /nfs/dbraw/zinc/06/80/22/987068022.db2.gz KDOBMXNMVZCJOD-MRXNPFEDSA-N 0 1 408.418 3.758 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC)N1CCCC1 ZINC000444920349 987068504 /nfs/dbraw/zinc/06/85/04/987068504.db2.gz KAEOBNMCLAURAV-GOSISDBHSA-N 0 1 414.462 3.571 20 5 HHBDMN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000469487208 987168273 /nfs/dbraw/zinc/16/82/73/987168273.db2.gz DUUBPQSNJIQGKL-QGZVFWFLSA-N 0 1 411.380 3.655 20 5 HHBDMN CC(C)[C@H](CC(F)(F)F)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000445706072 987772231 /nfs/dbraw/zinc/77/22/31/987772231.db2.gz ZTWYWHKAGCSABJ-VIFPVBQESA-N 0 1 419.219 3.613 20 5 HHBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000470150390 988058342 /nfs/dbraw/zinc/05/83/42/988058342.db2.gz BJNHGNZRZYMFKM-SECBINFHSA-N 0 1 401.320 3.887 20 5 HHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000470179110 988095533 /nfs/dbraw/zinc/09/55/33/988095533.db2.gz SEWAHDRPFIIHSK-XDHOZWIPSA-N 0 1 406.486 3.737 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C)(C)C3)cc2)cc1[N+](=O)[O-] ZINC000464504309 988681884 /nfs/dbraw/zinc/68/18/84/988681884.db2.gz CFCOOFCHHQPCLW-UHFFFAOYSA-N 0 1 417.487 3.576 20 5 HHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000464615807 988794050 /nfs/dbraw/zinc/79/40/50/988794050.db2.gz HJLXYJGORABSQC-UHFFFAOYSA-N 0 1 417.465 3.848 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN(CCCO)[C@H]3CCCc4ccccc43)o2)cc1 ZINC000471025664 989097040 /nfs/dbraw/zinc/09/70/40/989097040.db2.gz OBHJKUJJHUAXPF-FQEVSTJZSA-N 0 1 408.458 3.907 20 5 HHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000471091168 989186853 /nfs/dbraw/zinc/18/68/53/989186853.db2.gz AMXRKJYPLBVHTJ-UHFFFAOYSA-N 0 1 400.416 3.773 20 5 HHBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471169416 989295152 /nfs/dbraw/zinc/29/51/52/989295152.db2.gz NSPMCHHAKYHGAL-QGZVFWFLSA-N 0 1 402.882 3.788 20 5 HHBDMN Cc1ccc(CN[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000466451017 991741804 /nfs/dbraw/zinc/74/18/04/991741804.db2.gz CNDHDUCGRXDCJT-MRXNPFEDSA-N 0 1 407.392 3.813 20 5 HHBDMN CCOc1cc(NC(=O)NCc2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])cc1OCC ZINC000466751432 992059194 /nfs/dbraw/zinc/05/91/94/992059194.db2.gz YRRPHYAPTODVLA-UHFFFAOYSA-N 0 1 413.434 3.899 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000467081537 992387605 /nfs/dbraw/zinc/38/76/05/992387605.db2.gz AKBVSXRPUPMFOW-UHFFFAOYSA-N 0 1 406.460 3.588 20 5 HHBDMN COC[C@H]1CCCCN([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000467123023 992437309 /nfs/dbraw/zinc/43/73/09/992437309.db2.gz UNHYWGZNSDGDBB-CABCVRRESA-N 0 1 418.519 3.794 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Br)cc2F)c1C ZINC000480717821 993586568 /nfs/dbraw/zinc/58/65/68/993586568.db2.gz BZXGTHGZDYKXCO-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN CCCc1[nH]nc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)c1[N+](=O)[O-] ZINC000480778121 993645016 /nfs/dbraw/zinc/64/50/16/993645016.db2.gz NJHURZJAZOLMFT-UHFFFAOYSA-N 0 1 410.478 3.654 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1C ZINC000480987139 993828822 /nfs/dbraw/zinc/82/88/22/993828822.db2.gz GJOXDVRPXRTFFG-QFBILLFUSA-N 0 1 417.531 3.543 20 5 HHBDMN Cc1csc(NC2CCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000473065377 993986278 /nfs/dbraw/zinc/98/62/78/993986278.db2.gz NSXFCXXCLAWKKJ-UHFFFAOYSA-N 0 1 412.519 3.837 20 5 HHBDMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000481445148 994281664 /nfs/dbraw/zinc/28/16/64/994281664.db2.gz QJOUOFWPKQDKFA-ZUOKHONESA-N 0 1 403.866 3.503 20 5 HHBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)C[C@H]1CCCC[C@@H]1O ZINC000481516439 994346350 /nfs/dbraw/zinc/34/63/50/994346350.db2.gz NBVIVDNLHYWCKV-SIIHOXLZSA-N 0 1 418.519 3.528 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(Br)ccc2F)c1C ZINC000481603401 994453360 /nfs/dbraw/zinc/45/33/60/994453360.db2.gz BRTOYGHQQKBWLW-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481673771 994533996 /nfs/dbraw/zinc/53/39/96/994533996.db2.gz UCZFBWIPRZNBNN-SJKOYZFVSA-N 0 1 411.911 3.958 20 5 HHBDMN Cc1cc(NC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000473769044 994688045 /nfs/dbraw/zinc/68/80/45/994688045.db2.gz YXULQENRBHTGCN-OAHLLOKOSA-N 0 1 420.351 3.951 20 5 HHBDMN Cc1cc(C(=O)N2CCCC2)ccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481961306 994848715 /nfs/dbraw/zinc/84/87/15/994848715.db2.gz YLTZTGNRXWLOGQ-UHFFFAOYSA-N 0 1 417.487 3.557 20 5 HHBDMN COc1cccc([C@H]2[C@H](NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CCN2C2CC2)c1 ZINC000482077526 995013801 /nfs/dbraw/zinc/01/38/01/995013801.db2.gz FRNUHDCIYMGVKN-KNQAVFIVSA-N 0 1 420.469 3.793 20 5 HHBDMN COc1c(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cccc1[N+](=O)[O-] ZINC000474423541 995386797 /nfs/dbraw/zinc/38/67/97/995386797.db2.gz BURQSHOTKMNDKF-HXUWFJFHSA-N 0 1 402.410 3.999 20 5 HHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000482851138 995791186 /nfs/dbraw/zinc/79/11/86/995791186.db2.gz BHZZEVLLEHUTEB-UHFFFAOYSA-N 0 1 411.487 3.832 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1ccc(Br)cn1 ZINC000482990839 995905550 /nfs/dbraw/zinc/90/55/50/995905550.db2.gz WLLQSVHCGWKLMG-LBPRGKRZSA-N 0 1 407.268 3.740 20 5 HHBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000483215862 996042660 /nfs/dbraw/zinc/04/26/60/996042660.db2.gz UGLVZLQXVCWIMT-SFHVURJKSA-N 0 1 421.494 3.505 20 5 HHBDMN CS(=O)(=O)C1(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000475422833 996128196 /nfs/dbraw/zinc/12/81/96/996128196.db2.gz GZHPMXXKYSGGJO-UHFFFAOYSA-N 0 1 410.879 3.707 20 5 HHBDMN CCn1cc(S(=O)(=O)Nc2cc(-c3ccccc3)ccc2Cl)c([N+](=O)[O-])n1 ZINC000475813799 996387669 /nfs/dbraw/zinc/38/76/69/996387669.db2.gz HUXMXHHHDIUIPR-UHFFFAOYSA-N 0 1 406.851 3.932 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000484138701 996593088 /nfs/dbraw/zinc/59/30/88/996593088.db2.gz TTZPAXBCRIHBAV-UHFFFAOYSA-N 0 1 409.427 3.642 20 5 HHBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000484739259 997082058 /nfs/dbraw/zinc/08/20/58/997082058.db2.gz LUEKLOPEIYHGNZ-GOSISDBHSA-N 0 1 408.414 3.926 20 5 HHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000484791538 997143052 /nfs/dbraw/zinc/14/30/52/997143052.db2.gz WVXADCPJYHRONL-UWVGGRQHSA-N 0 1 400.806 3.895 20 5 HHBDMN CC1CCN([C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c2cccs2)CC1 ZINC000485037083 997401667 /nfs/dbraw/zinc/40/16/67/997401667.db2.gz XWWRCXRTOAFRQX-MRXNPFEDSA-N 0 1 417.487 3.588 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000485040200 997405675 /nfs/dbraw/zinc/40/56/75/997405675.db2.gz AEPZCHJONNLFRE-UHFFFAOYSA-N 0 1 416.484 3.899 20 5 HHBDMN COc1ccc(CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)c2nccs2)c(OC)c1 ZINC000476950777 997566252 /nfs/dbraw/zinc/56/62/52/997566252.db2.gz KUOTZYIGZYWKSD-UHFFFAOYSA-N 0 1 415.427 3.621 20 5 HHBDMN CN1CC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000476981118 997601490 /nfs/dbraw/zinc/60/14/90/997601490.db2.gz NJYXNZDXYSJSSQ-VBKZILBWSA-N 0 1 420.872 3.608 20 5 HHBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(=Cc3cc(Cl)ccc3Cl)CC2)c1 ZINC000476994092 997621641 /nfs/dbraw/zinc/62/16/41/997621641.db2.gz UBVYTTCFTCBXNC-KRWDZBQOSA-N 0 1 411.289 3.638 20 5 HHBDMN CCc1nc([C@@H](C)NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477298321 997985209 /nfs/dbraw/zinc/98/52/09/997985209.db2.gz PCWMCIMORVPRAJ-SNVBAGLBSA-N 0 1 418.504 3.682 20 5 HHBDMN CC1(C)CN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CCN1 ZINC000477310152 997998470 /nfs/dbraw/zinc/99/84/70/997998470.db2.gz RXRCWHJWGDFWOM-UHFFFAOYSA-N 0 1 402.882 3.684 20 5 HHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000485549915 998004360 /nfs/dbraw/zinc/00/43/60/998004360.db2.gz LWDCVLPUHZYFGK-ZDUSSCGKSA-N 0 1 420.416 3.547 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)N2CCCCC2)cc1 ZINC000477475988 998196551 /nfs/dbraw/zinc/19/65/51/998196551.db2.gz DGMUQLPCZXOCDR-OAQYLSRUSA-N 0 1 415.465 3.628 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000485748103 998219068 /nfs/dbraw/zinc/21/90/68/998219068.db2.gz ITAPBSAEEHWSGG-GOSISDBHSA-N 0 1 415.515 3.892 20 5 HHBDMN COc1ccc(NC(=O)CNC2(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000477544229 998262562 /nfs/dbraw/zinc/26/25/62/998262562.db2.gz UXSXXRHGUIJNCV-UHFFFAOYSA-N 0 1 409.364 3.840 20 5 HHBDMN COc1ccc(CN(CCc2ccccn2)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000478108155 998763899 /nfs/dbraw/zinc/76/38/99/998763899.db2.gz HLKRKALSPLEGAY-UHFFFAOYSA-N 0 1 423.473 3.730 20 5 HHBDMN CSc1cccc([C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2cc(F)ccc2F)c1 ZINC000487237561 999106882 /nfs/dbraw/zinc/10/68/82/999106882.db2.gz SZWAMMWWDDJHLV-INIZCTEOSA-N 0 1 404.398 3.837 20 5 HHBDMN CSc1cccc([C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2cc(F)ccc2F)c1 ZINC000487237562 999106915 /nfs/dbraw/zinc/10/69/15/999106915.db2.gz SZWAMMWWDDJHLV-MRXNPFEDSA-N 0 1 404.398 3.837 20 5 HHBDMN Cc1[nH]nc(C(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000479023449 999251478 /nfs/dbraw/zinc/25/14/78/999251478.db2.gz NDSNWSLJOOGZBI-UHFFFAOYSA-N 0 1 412.368 3.576 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)o1 ZINC000479447608 999422125 /nfs/dbraw/zinc/42/21/25/999422125.db2.gz QLPYZUMCYGBADP-UHFFFAOYSA-N 0 1 410.434 3.770 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3cccc(N4CCOCC4)n3)s2)cc1 ZINC000479608403 999498882 /nfs/dbraw/zinc/49/88/82/999498882.db2.gz VRZVIYACPBQSGW-UHFFFAOYSA-N 0 1 410.499 3.845 20 5 HHBDMN CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000488869399 999632119 /nfs/dbraw/zinc/63/21/19/999632119.db2.gz VWQKMCPNFRWQTR-QGZVFWFLSA-N 0 1 400.410 3.834 20 5 HHBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000488995563 999667309 /nfs/dbraw/zinc/66/73/09/999667309.db2.gz JABSNGODJFVEJY-ZDUSSCGKSA-N 0 1 410.430 3.788 20 5 HHBDMN Cc1c(CNC(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000480053276 999703257 /nfs/dbraw/zinc/70/32/57/999703257.db2.gz JJZURPXNKXQERZ-GOSISDBHSA-N 0 1 420.473 3.778 20 5 HHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)n[nH]1 ZINC000489235939 999727943 /nfs/dbraw/zinc/72/79/43/999727943.db2.gz UYJSIRWFYHDZIB-NWDGAFQWSA-N 0 1 407.449 3.943 20 5 HHBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n[nH]1 ZINC000489281777 999736254 /nfs/dbraw/zinc/73/62/54/999736254.db2.gz OPWIYOQALKYDJZ-CABCVRRESA-N 0 1 414.510 3.954 20 5 HHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n[nH]1 ZINC000489281802 999736261 /nfs/dbraw/zinc/73/62/61/999736261.db2.gz OPWIYOQALKYDJZ-HUUCEWRRSA-N 0 1 414.510 3.954 20 5 HHBDMN COc1cc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cc([N+](=O)[O-])c1C ZINC000480552951 999824712 /nfs/dbraw/zinc/82/47/12/999824712.db2.gz KUZVDFDZXFVXOI-INIZCTEOSA-N 0 1 421.457 3.717 20 5 HHBDMN COc1cc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cc([N+](=O)[O-])c1C ZINC000480552954 999824855 /nfs/dbraw/zinc/82/48/55/999824855.db2.gz KUZVDFDZXFVXOI-MRXNPFEDSA-N 0 1 421.457 3.717 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1nc2ccccc2n1C ZINC000490132914 999898131 /nfs/dbraw/zinc/89/81/31/999898131.db2.gz MVBGKRMSEXMOHD-FQEVSTJZSA-N 0 1 407.474 3.956 20 5 HHBDMN COc1cc(OCC(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000490314705 999934462 /nfs/dbraw/zinc/93/44/62/999934462.db2.gz IORRZBSNOAIYTM-UHFFFAOYSA-N 0 1 410.308 3.516 20 5 HHBDMN COC(=O)c1cc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000490358619 999944055 /nfs/dbraw/zinc/94/40/55/999944055.db2.gz ACXMZEIACYOMJV-UHFFFAOYSA-N 0 1 408.292 3.529 20 5 HHBDMN Cc1ccc(-c2nc(CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cs2)cc1 ZINC000490368341 999945852 /nfs/dbraw/zinc/94/58/52/999945852.db2.gz PESPXQJTNZZVDT-UHFFFAOYSA-N 0 1 420.454 3.993 20 5 HHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000490397004 999950822 /nfs/dbraw/zinc/95/08/22/999950822.db2.gz ITZFVOWLIVASEV-UHFFFAOYSA-N 0 1 402.414 3.992 20 5 HHBDMN COc1ccc([C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC000492024079 1000105491 /nfs/dbraw/zinc/10/54/91/1000105491.db2.gz VAVOZZORVMZZBT-INIZCTEOSA-N 0 1 420.347 3.865 20 5 HHBDMN COc1ccc(Cl)c(S(=O)(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000492080828 1000108704 /nfs/dbraw/zinc/10/87/04/1000108704.db2.gz NXQZIEHHNJTCBZ-UHFFFAOYSA-N 0 1 422.850 3.552 20 5 HHBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1 ZINC000492548188 1000131868 /nfs/dbraw/zinc/13/18/68/1000131868.db2.gz FKCIXXLLPVKVSI-QMMMGPOBSA-N 0 1 422.264 3.695 20 5 HHBDMN CCOc1cc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492786592 1000144063 /nfs/dbraw/zinc/14/40/63/1000144063.db2.gz AZJQPIJLYFZQLJ-UHFFFAOYSA-N 0 1 411.502 3.830 20 5 HHBDMN Cc1c(NC(=O)[C@H](C)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000493924065 1000216779 /nfs/dbraw/zinc/21/67/79/1000216779.db2.gz GLXWVKRJSCQJPS-OYYNGEPBSA-N 0 1 405.401 3.628 20 5 HHBDMN O=C(CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000493932505 1000222229 /nfs/dbraw/zinc/22/22/29/1000222229.db2.gz BXUQTWSJTUZHEY-WMZOPIPTSA-N 0 1 411.792 3.585 20 5 HHBDMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000494443949 1000495021 /nfs/dbraw/zinc/49/50/21/1000495021.db2.gz YFHJTCQWMOONSS-INIZCTEOSA-N 0 1 414.481 3.675 20 5 HHBDMN Cc1cc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000494477964 1000513804 /nfs/dbraw/zinc/51/38/04/1000513804.db2.gz XWQDLUJWCIFHCK-UHFFFAOYSA-N 0 1 411.439 3.956 20 5 HHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000494483570 1000517188 /nfs/dbraw/zinc/51/71/88/1000517188.db2.gz FUZYURZWCSGLBB-UHFFFAOYSA-N 0 1 411.439 3.577 20 5 HHBDMN O=C1[C@H](N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000494492782 1000522286 /nfs/dbraw/zinc/52/22/86/1000522286.db2.gz MGKBZHVVVNHLAR-IPMKNSEASA-N 0 1 419.840 3.612 20 5 HHBDMN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494495179 1000523573 /nfs/dbraw/zinc/52/35/73/1000523573.db2.gz MKZPJCSEPWVLNK-UZCIPKQKSA-N 0 1 407.829 3.834 20 5 HHBDMN CN(C[C@@H]1CCOC1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000494964333 1000755424 /nfs/dbraw/zinc/75/54/24/1000755424.db2.gz OLACKJRMUCZERC-LIRRHRJNSA-N 0 1 403.866 3.896 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCC1 ZINC000496448008 1001178560 /nfs/dbraw/zinc/17/85/60/1001178560.db2.gz PCGSFXYWBIXBIU-NRFANRHFSA-N 0 1 422.485 3.511 20 5 HHBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000496644331 1001209222 /nfs/dbraw/zinc/20/92/22/1001209222.db2.gz TYUBUQOJORPQQC-UYAOXDASSA-N 0 1 415.515 3.509 20 5 HHBDMN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000497128128 1001273271 /nfs/dbraw/zinc/27/32/71/1001273271.db2.gz ZADCPQCRERANKL-KRWDZBQOSA-N 0 1 402.414 3.839 20 5 HHBDMN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000497128128 1001273276 /nfs/dbraw/zinc/27/32/76/1001273276.db2.gz ZADCPQCRERANKL-KRWDZBQOSA-N 0 1 402.414 3.839 20 5 HHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000506348794 1001370045 /nfs/dbraw/zinc/37/00/45/1001370045.db2.gz NNCPSXPZOYCOJQ-MRXNPFEDSA-N 0 1 415.204 3.960 20 5 HHBDMN Cc1cc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497542170 1001427733 /nfs/dbraw/zinc/42/77/33/1001427733.db2.gz YDDRZOPPUOOZKE-INIZCTEOSA-N 0 1 405.462 3.740 20 5 HHBDMN Cc1cc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497542170 1001427737 /nfs/dbraw/zinc/42/77/37/1001427737.db2.gz YDDRZOPPUOOZKE-INIZCTEOSA-N 0 1 405.462 3.740 20 5 HHBDMN O=C(NC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1)C1CC1 ZINC000506645141 1001481211 /nfs/dbraw/zinc/48/12/11/1001481211.db2.gz HNTFPTPYTRMXOY-UHFFFAOYSA-N 0 1 403.866 3.999 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)N2CCCC2)c1 ZINC000497765192 1001508314 /nfs/dbraw/zinc/50/83/14/1001508314.db2.gz ZWKILRTVZRBHII-OAQYLSRUSA-N 0 1 420.469 3.719 20 5 HHBDMN CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000497981941 1001589634 /nfs/dbraw/zinc/58/96/34/1001589634.db2.gz HBMCDHXWQVSCTG-FXAWDEMLSA-N 0 1 417.531 3.749 20 5 HHBDMN CC1CCN(c2ccc(C(=O)N3CCN(C4CCCC4)CC3)cc2[N+](=O)[O-])CC1 ZINC000498233949 1001720978 /nfs/dbraw/zinc/72/09/78/1001720978.db2.gz YDBSZNQQOYBISR-UHFFFAOYSA-N 0 1 400.523 3.532 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000498292100 1001760853 /nfs/dbraw/zinc/76/08/53/1001760853.db2.gz UTDATRZWKUCFCU-RBBKRZOGSA-N 0 1 423.513 3.975 20 5 HHBDMN Cc1ccc(C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2ccccn2)cc1 ZINC000498327291 1001778603 /nfs/dbraw/zinc/77/86/03/1001778603.db2.gz XQOMTZPZVYDGHL-FQEVSTJZSA-N 0 1 401.426 3.888 20 5 HHBDMN CC(C)(CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Br)c1 ZINC000507053342 1001783926 /nfs/dbraw/zinc/78/39/26/1001783926.db2.gz CORBZHJVZFLHRS-UHFFFAOYSA-N 0 1 417.263 3.941 20 5 HHBDMN CN1CCO[C@H]([C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000498352937 1001790888 /nfs/dbraw/zinc/79/08/88/1001790888.db2.gz JLYKACSNTWUCMK-RUKUNBKWSA-N 0 1 401.894 3.923 20 5 HHBDMN O=C(Nc1cnn(-c2ccccc2Br)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507095112 1001803841 /nfs/dbraw/zinc/80/38/41/1001803841.db2.gz PVHTWCCNMNDXLT-UHFFFAOYSA-N 0 1 403.192 3.501 20 5 HHBDMN C[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000507229544 1001916577 /nfs/dbraw/zinc/91/65/77/1001916577.db2.gz MRTLKCBRHXCTMQ-LLVKDONJSA-N 0 1 418.302 3.531 20 5 HHBDMN CCN1C[C@H](C)N(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498555423 1001971151 /nfs/dbraw/zinc/97/11/51/1001971151.db2.gz QBPAUJQNJSHLEC-IKGGRYGDSA-N 0 1 411.506 3.718 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(F)cc2OC2CCOCC2)c1 ZINC000507584608 1002190021 /nfs/dbraw/zinc/19/00/21/1002190021.db2.gz SBTDHTCTXJSJOL-UHFFFAOYSA-N 0 1 424.450 3.709 20 5 HHBDMN CC(C)COC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000508021475 1002544462 /nfs/dbraw/zinc/54/44/62/1002544462.db2.gz FHWALDRYWDLVOO-CYBMUJFWSA-N 0 1 402.856 3.533 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508073439 1002595156 /nfs/dbraw/zinc/59/51/56/1002595156.db2.gz KORUFCYSFQKTNE-INIZCTEOSA-N 0 1 413.377 3.966 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)CCNc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000508213628 1002745437 /nfs/dbraw/zinc/74/54/37/1002745437.db2.gz AUQZHRGJEKQXGR-MRXNPFEDSA-N 0 1 407.474 3.988 20 5 HHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000508373240 1002870397 /nfs/dbraw/zinc/87/03/97/1002870397.db2.gz YGHDGSURHOEVLW-CQSZACIVSA-N 0 1 406.851 3.565 20 5 HHBDMN CC1(C)CC[C@@H](NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000508501567 1002983864 /nfs/dbraw/zinc/98/38/64/1002983864.db2.gz BXGIDFBGEXDQDY-MRXNPFEDSA-N 0 1 417.487 3.704 20 5 HHBDMN O=[N+]([O-])c1cc(CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)c2c(c1)COCO2 ZINC000500457720 1003729053 /nfs/dbraw/zinc/72/90/53/1003729053.db2.gz BNEXFIJVMCKWEW-FQEVSTJZSA-N 0 1 404.850 3.606 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1C ZINC000511881399 1003858766 /nfs/dbraw/zinc/85/87/66/1003858766.db2.gz IGXPMZLLSQNJLC-UHFFFAOYSA-N 0 1 423.454 3.722 20 5 HHBDMN CC(C)[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)OCCO2 ZINC000509599504 1003971162 /nfs/dbraw/zinc/97/11/62/1003971162.db2.gz GFDFMOPCFBDFKH-FQEVSTJZSA-N 0 1 400.431 3.719 20 5 HHBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c1[N+](=O)[O-] ZINC000512060355 1003991062 /nfs/dbraw/zinc/99/10/62/1003991062.db2.gz UAAWCCJDGUMLKK-AWEZNQCLSA-N 0 1 416.482 3.542 20 5 HHBDMN O=C(CN[C@H](CCO)c1ccc(Cl)c(Cl)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000512201880 1004103058 /nfs/dbraw/zinc/10/30/58/1004103058.db2.gz IUGLLJNKYKSELF-QGZVFWFLSA-N 0 1 424.284 3.504 20 5 HHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000512281238 1004183463 /nfs/dbraw/zinc/18/34/63/1004183463.db2.gz QTTGEFQXOIIWJF-UHFFFAOYSA-N 0 1 416.235 3.714 20 5 HHBDMN COc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc(OC)c1C(C)C ZINC000512287138 1004189714 /nfs/dbraw/zinc/18/97/14/1004189714.db2.gz GKIUKZBHJGBJBS-UHFFFAOYSA-N 0 1 411.418 3.773 20 5 HHBDMN C[C@H]1c2cccc(Br)c2CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000512314811 1004210710 /nfs/dbraw/zinc/21/07/10/1004210710.db2.gz PLBAKSAMBXHQMH-JTQLQIEISA-N 0 1 415.247 3.993 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc([N+](=O)[O-])cc(Br)c3C)n2)o1 ZINC000501226781 1004295611 /nfs/dbraw/zinc/29/56/11/1004295611.db2.gz CVSTYOILSGSUGA-UHFFFAOYSA-N 0 1 406.196 3.605 20 5 HHBDMN O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1csc([N+](=O)[O-])c1 ZINC000512749783 1004535913 /nfs/dbraw/zinc/53/59/13/1004535913.db2.gz QJCODKRJMAWAKY-UHFFFAOYSA-N 0 1 423.498 3.626 20 5 HHBDMN C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)CN1Cc1ccccc1 ZINC000501614471 1004553749 /nfs/dbraw/zinc/55/37/49/1004553749.db2.gz BBMPDHRSGWZQEQ-HZPDHXFCSA-N 0 1 420.469 3.584 20 5 HHBDMN CCCN(CCN1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000510523850 1004651336 /nfs/dbraw/zinc/65/13/36/1004651336.db2.gz VNLSUTZWMDXJRE-UHFFFAOYSA-N 0 1 423.457 3.500 20 5 HHBDMN C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000501771996 1004710354 /nfs/dbraw/zinc/71/03/54/1004710354.db2.gz HVZQCUBNRDLLNJ-IRXDYDNUSA-N 0 1 407.474 3.740 20 5 HHBDMN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000501923160 1004812925 /nfs/dbraw/zinc/81/29/25/1004812925.db2.gz PBGPYPIDUKPZAD-UHFFFAOYSA-N 0 1 407.361 3.728 20 5 HHBDMN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc2n[nH]cc2c1 ZINC000513202675 1004858885 /nfs/dbraw/zinc/85/88/85/1004858885.db2.gz XRHRTRKGAYMSAP-SNVBAGLBSA-N 0 1 418.251 3.523 20 5 HHBDMN C[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCc2ccccc2C1 ZINC000510832075 1004880209 /nfs/dbraw/zinc/88/02/09/1004880209.db2.gz HCTHXHHGKNYWDC-ZDUSSCGKSA-N 0 1 420.416 3.765 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1[N+](=O)[O-] ZINC000502150913 1004925461 /nfs/dbraw/zinc/92/54/61/1004925461.db2.gz AOHXSALAWVABQI-LLVKDONJSA-N 0 1 401.398 3.571 20 5 HHBDMN C[N@@H+]1CC[C@@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502853096 1005244545 /nfs/dbraw/zinc/24/45/45/1005244545.db2.gz QRYAZECXHYNVFR-SGTLLEGYSA-N 0 1 407.829 3.516 20 5 HHBDMN C[N@H+]1CC[C@@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502853096 1005244547 /nfs/dbraw/zinc/24/45/47/1005244547.db2.gz QRYAZECXHYNVFR-SGTLLEGYSA-N 0 1 407.829 3.516 20 5 HHBDMN CC(=O)NCC1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000511643593 1005257630 /nfs/dbraw/zinc/25/76/30/1005257630.db2.gz AFEAFHYPOSVJOA-UHFFFAOYSA-N 0 1 401.438 3.874 20 5 HHBDMN CC[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000514093224 1005262013 /nfs/dbraw/zinc/26/20/13/1005262013.db2.gz IGNJQOSZXKFHRB-JTHBVZDNSA-N 0 1 419.529 3.844 20 5 HHBDMN CC[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000514096819 1005263873 /nfs/dbraw/zinc/26/38/73/1005263873.db2.gz XYTPHRYFMWXXAX-FYYLOGMGSA-N 0 1 419.529 3.844 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC1 ZINC000503033252 1005321825 /nfs/dbraw/zinc/32/18/25/1005321825.db2.gz ZNKFRJRJBLEHBT-FQEVSTJZSA-N 0 1 408.458 3.652 20 5 HHBDMN Cc1c(Br)cc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000511803740 1005336297 /nfs/dbraw/zinc/33/62/97/1005336297.db2.gz BFVHGNPDNACTFP-UHFFFAOYSA-N 0 1 421.226 3.654 20 5 HHBDMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000503181299 1005363480 /nfs/dbraw/zinc/36/34/80/1005363480.db2.gz YNTDPBHKHUURST-UHFFFAOYSA-N 0 1 403.402 3.572 20 5 HHBDMN Cc1nn(CCC(=O)Nc2cc(Br)cc(Cl)c2O)c(C)c1[N+](=O)[O-] ZINC000534206514 1006199817 /nfs/dbraw/zinc/19/98/17/1006199817.db2.gz UBMRHMHIBNJRFW-UHFFFAOYSA-N 0 1 417.647 3.558 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000514924992 1006207522 /nfs/dbraw/zinc/20/75/22/1006207522.db2.gz QZRQSVSGVPHAGM-YFHOEESVSA-N 0 1 411.443 3.623 20 5 HHBDMN Cc1ccc(C=Cc2n[nH]c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n2)o1 ZINC000514924882 1006207601 /nfs/dbraw/zinc/20/76/01/1006207601.db2.gz OASXAAVSYJUPGO-PLNGDYQASA-N 0 1 400.416 3.944 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(CC(=O)N(C)c4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000534215809 1006210972 /nfs/dbraw/zinc/21/09/72/1006210972.db2.gz RUKYAXLAKPLORA-INIZCTEOSA-N 0 1 407.474 3.622 20 5 HHBDMN CC[C@H](NCc1ccccc1CS(=O)(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000531702737 1006365232 /nfs/dbraw/zinc/36/52/32/1006365232.db2.gz RLFJAPWLDDLTEX-FQEVSTJZSA-N 0 1 405.520 3.664 20 5 HHBDMN C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])cc2)C[C@H](C)O1 ZINC000538645530 1006913968 /nfs/dbraw/zinc/91/39/68/1006913968.db2.gz HXKXJJORCNWEAI-STQMWFEESA-N 0 1 419.865 3.815 20 5 HHBDMN Nc1c(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc(F)cc1[N+](=O)[O-] ZINC000538645253 1006914358 /nfs/dbraw/zinc/91/43/58/1006914358.db2.gz RPZJCHZWMNDWMT-ZDUSSCGKSA-N 0 1 416.457 3.502 20 5 HHBDMN COC(=O)[C@]1(C)CCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538723701 1006999874 /nfs/dbraw/zinc/99/98/74/1006999874.db2.gz UEJGSZNFXMXKHS-JOCHJYFZSA-N 0 1 414.458 3.567 20 5 HHBDMN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000534957157 1007001801 /nfs/dbraw/zinc/00/18/01/1007001801.db2.gz BECMPFPDILORHR-UHFFFAOYSA-N 0 1 416.441 3.881 20 5 HHBDMN COc1cc(CN2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538726439 1007004477 /nfs/dbraw/zinc/00/44/77/1007004477.db2.gz RSWDFLGWMXNWOZ-VQIMIIECSA-N 0 1 400.475 3.918 20 5 HHBDMN CN1CC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000534959601 1007005642 /nfs/dbraw/zinc/00/56/42/1007005642.db2.gz CCRFCZRUMFUHOS-JLTOFOAXSA-N 0 1 421.856 3.575 20 5 HHBDMN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000516316721 1007010920 /nfs/dbraw/zinc/01/09/20/1007010920.db2.gz FIDOWSAMRLBDTG-LJQANCHMSA-N 0 1 417.893 3.970 20 5 HHBDMN CN1CC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534971743 1007028121 /nfs/dbraw/zinc/02/81/21/1007028121.db2.gz PDBCCOKHQOQOEP-BEFAXECRSA-N 0 1 420.872 3.880 20 5 HHBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000516579357 1007165570 /nfs/dbraw/zinc/16/55/70/1007165570.db2.gz QUHFROISXFEQFD-HXUWFJFHSA-N 0 1 416.909 3.927 20 5 HHBDMN O=C(c1ccccc1)N1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532769992 1007172260 /nfs/dbraw/zinc/17/22/60/1007172260.db2.gz IIJZFQVUECYNQR-UHFFFAOYSA-N 0 1 420.469 3.640 20 5 HHBDMN COc1ccc2cccc(CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)c2c1 ZINC000532813138 1007197431 /nfs/dbraw/zinc/19/74/31/1007197431.db2.gz PBEJYLSIKUYYCB-UHFFFAOYSA-N 0 1 403.398 3.723 20 5 HHBDMN CC(C)n1cnnc1[C@@H]1CCCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000535271298 1007321586 /nfs/dbraw/zinc/32/15/86/1007321586.db2.gz QEZYNJWJCUVFOE-GDBMZVCRSA-N 0 1 411.466 3.758 20 5 HHBDMN CN1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2)CC1 ZINC000533010708 1007374947 /nfs/dbraw/zinc/37/49/47/1007374947.db2.gz MXPSEUBUODMMLA-UHFFFAOYSA-N 0 1 422.407 3.613 20 5 HHBDMN O=C(CN(Cc1cccc(F)c1)C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533027529 1007387776 /nfs/dbraw/zinc/38/77/76/1007387776.db2.gz ROMDLBYDNZVGOA-UHFFFAOYSA-N 0 1 415.421 3.846 20 5 HHBDMN COc1ccc(CN2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1[N+](=O)[O-] ZINC000533044040 1007404930 /nfs/dbraw/zinc/40/49/30/1007404930.db2.gz DPGJNTQGAZPTKG-SFHVURJKSA-N 0 1 412.490 3.946 20 5 HHBDMN CN1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]1c1ccc(Cl)cc1 ZINC000535542681 1007583509 /nfs/dbraw/zinc/58/35/09/1007583509.db2.gz OQUJYWDZVDSKFL-YWZLYKJASA-N 0 1 400.866 3.990 20 5 HHBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000539288058 1007584301 /nfs/dbraw/zinc/58/43/01/1007584301.db2.gz UUFZBILQRGXTDI-HNNXBMFYSA-N 0 1 419.441 3.531 20 5 HHBDMN CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000533282412 1007595493 /nfs/dbraw/zinc/59/54/93/1007595493.db2.gz RUIGFNMJAVDSRH-OAHLLOKOSA-N 0 1 401.463 3.504 20 5 HHBDMN O=C(CN[C@@H](COc1ccccc1)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000539317423 1007616056 /nfs/dbraw/zinc/61/60/56/1007616056.db2.gz SDCCSAPESOHPFH-QFIPXVFZSA-N 0 1 417.465 3.894 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000533301920 1007618879 /nfs/dbraw/zinc/61/88/79/1007618879.db2.gz QTGNDUYKRFBGPG-HOCLYGCPSA-N 0 1 401.438 3.634 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)CCOc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000535648960 1007657974 /nfs/dbraw/zinc/65/79/74/1007657974.db2.gz YVLLAQXZYWYZNB-INIZCTEOSA-N 0 1 408.458 3.955 20 5 HHBDMN CO[C@H](C)c1cccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000517485338 1007710830 /nfs/dbraw/zinc/71/08/30/1007710830.db2.gz WRUVVOCDLHALRA-SNVBAGLBSA-N 0 1 415.265 3.866 20 5 HHBDMN COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1-c1ccccn1 ZINC000533675980 1007995963 /nfs/dbraw/zinc/99/59/63/1007995963.db2.gz PBROHAWRNCDSPN-UHFFFAOYSA-N 0 1 416.397 3.703 20 5 HHBDMN Cc1nc2ccccc2n1C[C@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000535965792 1008002187 /nfs/dbraw/zinc/00/21/87/1008002187.db2.gz LXYNJHQWDMKKTQ-GOSISDBHSA-N 0 1 418.457 3.968 20 5 HHBDMN Cc1nc2ccccc2n1C[C@H]1CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000535965735 1008002421 /nfs/dbraw/zinc/00/24/21/1008002421.db2.gz IMIQBPMMMAKLOV-GOSISDBHSA-N 0 1 408.458 3.784 20 5 HHBDMN CCCOc1c(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cccc1OCC ZINC000539836650 1008129086 /nfs/dbraw/zinc/12/90/86/1008129086.db2.gz WDPSJHZTLQJAML-KRWDZBQOSA-N 0 1 400.479 3.864 20 5 HHBDMN COc1ccc(-c2n[nH]c(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)n2)c(OC)c1 ZINC000539911229 1008180134 /nfs/dbraw/zinc/18/01/34/1008180134.db2.gz ANRBFFPHUDILDO-UHFFFAOYSA-N 0 1 411.418 3.575 20 5 HHBDMN Cc1c(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000533922135 1008207006 /nfs/dbraw/zinc/20/70/06/1008207006.db2.gz KAIRLGISFIIPGI-UHFFFAOYSA-N 0 1 402.458 3.779 20 5 HHBDMN O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)N2CCCCC2)c(F)c1N1CCOCC1 ZINC000518264477 1008232808 /nfs/dbraw/zinc/23/28/08/1008232808.db2.gz PAAJYVGVLBXKOM-GOSISDBHSA-N 0 1 418.469 3.803 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC(c2nc3ccccc3s2)C1 ZINC000540237900 1008348034 /nfs/dbraw/zinc/34/80/34/1008348034.db2.gz SSRHIYHKJZKYNE-UHFFFAOYSA-N 0 1 412.471 3.641 20 5 HHBDMN COc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000540332171 1008384225 /nfs/dbraw/zinc/38/42/25/1008384225.db2.gz AAOPWYRUELNNKP-NSHDSACASA-N 0 1 408.252 3.655 20 5 HHBDMN COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000540375584 1008405722 /nfs/dbraw/zinc/40/57/22/1008405722.db2.gz HOBPDABWFPICSP-KXBFYZLASA-N 0 1 413.474 3.626 20 5 HHBDMN COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000540375583 1008405769 /nfs/dbraw/zinc/40/57/69/1008405769.db2.gz HOBPDABWFPICSP-HNAYVOBHSA-N 0 1 413.474 3.626 20 5 HHBDMN COCCSc1ccc([C@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000518789813 1008421209 /nfs/dbraw/zinc/42/12/09/1008421209.db2.gz DVGGQTLQDZJNDE-MGPUTAFESA-N 0 1 415.515 3.789 20 5 HHBDMN COc1cc([C@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)C ZINC000518791275 1008422101 /nfs/dbraw/zinc/42/21/01/1008422101.db2.gz GVLYISZNNNSQHH-HNAYVOBHSA-N 0 1 413.474 3.847 20 5 HHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000518909379 1008469643 /nfs/dbraw/zinc/46/96/43/1008469643.db2.gz CKTDTRZCVOAMNI-UHFFFAOYSA-N 0 1 402.882 3.951 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1C ZINC000519201837 1008605511 /nfs/dbraw/zinc/60/55/11/1008605511.db2.gz JZQQIUFRLUBADL-AWEZNQCLSA-N 0 1 419.503 3.795 20 5 HHBDMN COc1cc(CN(C)C[C@H](C)c2nccs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543239015 1008808335 /nfs/dbraw/zinc/80/83/35/1008808335.db2.gz NUIIXVDFZFEMOC-NSHDSACASA-N 0 1 401.435 3.939 20 5 HHBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000543339902 1008924173 /nfs/dbraw/zinc/92/41/73/1008924173.db2.gz CDJJJWXSJFNCTI-SFHVURJKSA-N 0 1 420.473 3.512 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000543411116 1009004219 /nfs/dbraw/zinc/00/42/19/1009004219.db2.gz HQVVMQJXYKHWQQ-GFCCVEGCSA-N 0 1 407.854 3.772 20 5 HHBDMN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2ccccc2C)CC1 ZINC000549427730 1009015886 /nfs/dbraw/zinc/01/58/86/1009015886.db2.gz OKWZMWVNWWASSY-UHFFFAOYSA-N 0 1 406.490 3.504 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(CC[N@@H+](C)C3CC3)c2)c1 ZINC000543641921 1009246150 /nfs/dbraw/zinc/24/61/50/1009246150.db2.gz QDNDEAATZJJEFR-UHFFFAOYSA-N 0 1 403.504 3.649 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(CC[N@H+](C)C3CC3)c2)c1 ZINC000543641921 1009246173 /nfs/dbraw/zinc/24/61/73/1009246173.db2.gz QDNDEAATZJJEFR-UHFFFAOYSA-N 0 1 403.504 3.649 20 5 HHBDMN COc1cccc(-c2cc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)[nH]n2)c1 ZINC000546377349 1009385688 /nfs/dbraw/zinc/38/56/88/1009385688.db2.gz CNZPFHGIVWXEJC-UHFFFAOYSA-N 0 1 406.402 3.698 20 5 HHBDMN CCCc1[nH]nc(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)c1[N+](=O)[O-] ZINC000520291987 1009415711 /nfs/dbraw/zinc/41/57/11/1009415711.db2.gz RNBDREMSHSWRLN-UHFFFAOYSA-N 0 1 400.464 3.700 20 5 HHBDMN C[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)no1 ZINC000549931327 1009545439 /nfs/dbraw/zinc/54/54/39/1009545439.db2.gz AOJVQMNUUPCMIC-JTQLQIEISA-N 0 1 419.235 3.964 20 5 HHBDMN COc1cc(CNC(C)(C)c2cnn(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000546703613 1009689664 /nfs/dbraw/zinc/68/96/64/1009689664.db2.gz ZSCJBMJWRUEZMW-UHFFFAOYSA-N 0 1 410.474 3.941 20 5 HHBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)c1 ZINC000544110439 1009720832 /nfs/dbraw/zinc/72/08/32/1009720832.db2.gz MEXHBMIRHHTGHW-LPHOPBHVSA-N 0 1 421.284 3.838 20 5 HHBDMN COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000550390746 1009901265 /nfs/dbraw/zinc/90/12/65/1009901265.db2.gz HBMZEGYDDKTCHU-QGZVFWFLSA-N 0 1 419.865 3.739 20 5 HHBDMN CCc1ccc([C@H](NC[C@@H](C(C)C)N2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544367890 1009996169 /nfs/dbraw/zinc/99/61/69/1009996169.db2.gz JRFYYGRBFKAQBC-RBBKRZOGSA-N 0 1 401.507 3.786 20 5 HHBDMN COc1cccc(N2C[C@H](NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2=O)c1 ZINC000520961460 1010008721 /nfs/dbraw/zinc/00/87/21/1010008721.db2.gz SGIQALUNAHZCCF-MRXNPFEDSA-N 0 1 407.426 3.759 20 5 HHBDMN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc(CN2CCSCC2)cc1 ZINC000520990137 1010029620 /nfs/dbraw/zinc/02/96/20/1010029620.db2.gz JGGHCMOUMSPYOZ-UHFFFAOYSA-N 0 1 423.498 3.582 20 5 HHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000544412004 1010030852 /nfs/dbraw/zinc/03/08/52/1010030852.db2.gz LPFYUJZBVWPRHM-AWEZNQCLSA-N 0 1 406.324 3.643 20 5 HHBDMN CN(C)[C@@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000550645535 1010080067 /nfs/dbraw/zinc/08/00/67/1010080067.db2.gz WUYDUDPHZTUUTE-IBGZPJMESA-N 0 1 402.882 3.619 20 5 HHBDMN COc1ccc(NC(=O)CN(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000544525522 1010153830 /nfs/dbraw/zinc/15/38/30/1010153830.db2.gz HYNBZOJXZFJLRT-OXQOHEQNSA-N 0 1 417.437 3.533 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)N2CCCC2)cc1 ZINC000544532689 1010161171 /nfs/dbraw/zinc/16/11/71/1010161171.db2.gz LCVFZYVPBZHUNU-YCRPNKLZSA-N 0 1 415.465 3.799 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)N2CCCC2)c1 ZINC000544532948 1010162221 /nfs/dbraw/zinc/16/22/21/1010162221.db2.gz TZCVUSZGKXERKL-QVKFZJNVSA-N 0 1 415.465 3.799 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)N2CCCC2)c1 ZINC000544532950 1010162605 /nfs/dbraw/zinc/16/26/05/1010162605.db2.gz TZCVUSZGKXERKL-YCRPNKLZSA-N 0 1 415.465 3.799 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000521155560 1010183790 /nfs/dbraw/zinc/18/37/90/1010183790.db2.gz CIDOSUFGQKTADW-GOSISDBHSA-N 0 1 404.394 3.941 20 5 HHBDMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000521163964 1010196290 /nfs/dbraw/zinc/19/62/90/1010196290.db2.gz IHZWJFSAHVSWFS-JTQLQIEISA-N 0 1 406.357 3.662 20 5 HHBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)(F)F)c1 ZINC000544572836 1010201568 /nfs/dbraw/zinc/20/15/68/1010201568.db2.gz JIQDEHVXDLMBDL-GFCCVEGCSA-N 0 1 418.393 3.618 20 5 HHBDMN CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 ZINC000544574089 1010203395 /nfs/dbraw/zinc/20/33/95/1010203395.db2.gz JWNIYOCMMUBUTN-QGZVFWFLSA-N 0 1 414.430 3.711 20 5 HHBDMN Cc1cnc([C@H](C)CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000544652093 1010275822 /nfs/dbraw/zinc/27/58/22/1010275822.db2.gz JJQFPVOREPUZSQ-SSDOTTSWSA-N 0 1 410.304 3.749 20 5 HHBDMN CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000544745880 1010349888 /nfs/dbraw/zinc/34/98/88/1010349888.db2.gz IUVDRIUBMUYFCD-FXAWDEMLSA-N 0 1 417.531 3.582 20 5 HHBDMN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000551118004 1010381350 /nfs/dbraw/zinc/38/13/50/1010381350.db2.gz CLDNTYKHRLOJHR-UHFFFAOYSA-N 0 1 408.233 3.706 20 5 HHBDMN CS(=O)(=O)c1cc(CNC/C=C/c2ccccc2[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000551232657 1010454430 /nfs/dbraw/zinc/45/44/30/1010454430.db2.gz ZLTHMGMUFLYANS-GQCTYLIASA-N 0 1 414.405 3.820 20 5 HHBDMN CC(C)OC[C@H](CO)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000521687196 1010551083 /nfs/dbraw/zinc/55/10/83/1010551083.db2.gz NAXKBTTZDGWPMU-QFIPXVFZSA-N 0 1 424.501 3.665 20 5 HHBDMN O=C(CNC1(c2ccc(Cl)cc2)CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000551465046 1010601077 /nfs/dbraw/zinc/60/10/77/1010601077.db2.gz SKJROKNSIVKVKQ-UHFFFAOYSA-N 0 1 403.822 3.584 20 5 HHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000545199688 1010681311 /nfs/dbraw/zinc/68/13/11/1010681311.db2.gz SASNKNVISXYZML-FQEVSTJZSA-N 0 1 410.518 3.550 20 5 HHBDMN C[C@@H](N[C@@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000551719526 1010760890 /nfs/dbraw/zinc/76/08/90/1010760890.db2.gz ZJJYONBMBXDACE-PIGZYNQJSA-N 0 1 419.279 3.820 20 5 HHBDMN CC(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000545381610 1010764498 /nfs/dbraw/zinc/76/44/98/1010764498.db2.gz QLFHEMFTIBFVGL-UHFFFAOYSA-N 0 1 417.365 3.514 20 5 HHBDMN CN1CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000536263241 1011431147 /nfs/dbraw/zinc/43/11/47/1011431147.db2.gz KBVGZNQQLKSTFY-RDJZCZTQSA-N 0 1 404.264 3.533 20 5 HHBDMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000540860753 1011528356 /nfs/dbraw/zinc/52/83/56/1011528356.db2.gz JLXYFDXLZPTNFJ-UHFFFAOYSA-N 0 1 403.354 3.514 20 5 HHBDMN CCOc1ccc(CCC2CCN(C(=O)c3n[nH]c(CC)c3[N+](=O)[O-])CC2)cc1 ZINC000523241433 1011729594 /nfs/dbraw/zinc/72/95/94/1011729594.db2.gz RRJQODHYIJCVFP-UHFFFAOYSA-N 0 1 400.479 3.764 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000551812151 1011969030 /nfs/dbraw/zinc/96/90/30/1011969030.db2.gz BSOJEQADBMZZNP-NPMXOYFQSA-N 0 1 422.485 3.979 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000551812152 1011969307 /nfs/dbraw/zinc/96/93/07/1011969307.db2.gz BSOJEQADBMZZNP-WNSKOXEYSA-N 0 1 422.485 3.979 20 5 HHBDMN Cc1c([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)nnn1-c1cccc(Cl)c1 ZINC000536857967 1012091350 /nfs/dbraw/zinc/09/13/50/1012091350.db2.gz KYLQEKNELDSPLL-CYBMUJFWSA-N 0 1 401.854 3.867 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000536867723 1012106664 /nfs/dbraw/zinc/10/66/64/1012106664.db2.gz FNRJNTWIFOEXSL-LDTOTXGLSA-N 0 1 409.486 3.801 20 5 HHBDMN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000536899739 1012157445 /nfs/dbraw/zinc/15/74/45/1012157445.db2.gz GLQLQAQSYDNUQU-UHFFFAOYSA-N 0 1 419.503 3.885 20 5 HHBDMN Cn1ccnc1[C@@H](NCC1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552265238 1012275528 /nfs/dbraw/zinc/27/55/28/1012275528.db2.gz PFWUDTNRVGQISU-QFIPXVFZSA-N 0 1 405.502 3.924 20 5 HHBDMN COc1cc([C@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1OC(C)C ZINC000537051019 1012377584 /nfs/dbraw/zinc/37/75/84/1012377584.db2.gz HTEYBIXNSLDISR-HNNXBMFYSA-N 0 1 413.474 3.631 20 5 HHBDMN CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000523757350 1012383874 /nfs/dbraw/zinc/38/38/74/1012383874.db2.gz GEZTVBFHDHOING-PKOBYXMFSA-N 0 1 417.531 3.749 20 5 HHBDMN CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000523757350 1012383895 /nfs/dbraw/zinc/38/38/95/1012383895.db2.gz GEZTVBFHDHOING-PKOBYXMFSA-N 0 1 417.531 3.749 20 5 HHBDMN C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ncc(-c2ccccc2)o1 ZINC000541643278 1012463857 /nfs/dbraw/zinc/46/38/57/1012463857.db2.gz YKLSAOGFOSLKMY-CQSZACIVSA-N 0 1 408.414 3.899 20 5 HHBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000537108116 1012478876 /nfs/dbraw/zinc/47/88/76/1012478876.db2.gz CUJVJTQADJVUQO-HOTGVXAUSA-N 0 1 410.474 3.708 20 5 HHBDMN CCOc1cccc2cc([C@H](C)NCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)oc21 ZINC000541657735 1012483668 /nfs/dbraw/zinc/48/36/68/1012483668.db2.gz NOFXBENRWUIVIY-AWEZNQCLSA-N 0 1 409.442 3.980 20 5 HHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000552754149 1012761266 /nfs/dbraw/zinc/76/12/66/1012761266.db2.gz GCNZRJKVCDPIBR-UHFFFAOYSA-N 0 1 424.295 3.853 20 5 HHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000541960543 1012823429 /nfs/dbraw/zinc/82/34/29/1012823429.db2.gz FQDHWIOEBSDDHZ-ZDUSSCGKSA-N 0 1 420.416 3.547 20 5 HHBDMN O=C1[C@@H](NCc2cccc([N+](=O)[O-])c2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000537435992 1012925600 /nfs/dbraw/zinc/92/56/00/1012925600.db2.gz ZVMSKADCUWAATI-SFHVURJKSA-N 0 1 407.392 3.894 20 5 HHBDMN CC[C@@H](Cc1ccccc1Br)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001127064321 1072245405 /nfs/dbraw/zinc/24/54/05/1072245405.db2.gz ITSHUGCCYZXWGN-LBPRGKRZSA-N 0 1 417.263 3.985 20 5 HHBDMN CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000912993901 1072315245 /nfs/dbraw/zinc/31/52/45/1072315245.db2.gz QMARSNOJAQBVCG-UHFFFAOYSA-N 0 1 411.867 3.579 20 5 HHBDMN CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000760652198 1072478922 /nfs/dbraw/zinc/47/89/22/1072478922.db2.gz CLJZKDIGCKATPP-KRWDZBQOSA-N 0 1 412.446 3.548 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNc3ncnc4sc([N+](=O)[O-])cc43)cc2)C[C@@H](C)O1 ZINC000571113436 1072565949 /nfs/dbraw/zinc/56/59/49/1072565949.db2.gz MGJFMSKYJNWHNB-ZIAGYGMSSA-N 0 1 413.503 3.821 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNc3ncnc4sc([N+](=O)[O-])cc43)cc2)C[C@H](C)O1 ZINC000571113435 1072565998 /nfs/dbraw/zinc/56/59/98/1072565998.db2.gz MGJFMSKYJNWHNB-OKILXGFUSA-N 0 1 413.503 3.821 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](Cc3cc(Cl)ccc3OC)C2)c1[N+](=O)[O-] ZINC000571488580 1072637284 /nfs/dbraw/zinc/63/72/84/1072637284.db2.gz OYESVXQGMMQBCP-LBPRGKRZSA-N 0 1 406.870 3.637 20 5 HHBDMN CC[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N(C)Cc1ccccc1 ZINC000555053133 1073117643 /nfs/dbraw/zinc/11/76/43/1073117643.db2.gz OFHYKYJQDQSEPZ-QFIPXVFZSA-N 0 1 411.502 3.875 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc2cccnc2c1 ZINC001670861032 1073514600 /nfs/dbraw/zinc/51/46/00/1073514600.db2.gz LBFMHNUWPDYRMW-UHFFFAOYSA-N 0 1 412.254 3.928 20 5 HHBDMN C[C@H]1COCCN1C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000590388865 1073808557 /nfs/dbraw/zinc/80/85/57/1073808557.db2.gz PDAQJQCMBDCTLF-KRWDZBQOSA-N 0 1 424.501 3.664 20 5 HHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[nH]2)c1 ZINC000590556913 1073892224 /nfs/dbraw/zinc/89/22/24/1073892224.db2.gz SJLAGYIKIVJNHW-UHFFFAOYSA-N 0 1 406.427 3.902 20 5 HHBDMN COc1ccc(NC(=O)CSc2nc(C=Cc3ccc(C)o3)n[nH]2)c([N+](=O)[O-])c1 ZINC000591374659 1074272507 /nfs/dbraw/zinc/27/25/07/1074272507.db2.gz RDIOMRQPWITOIJ-VURMDHGXSA-N 0 1 415.431 3.524 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000591374637 1074272546 /nfs/dbraw/zinc/27/25/46/1074272546.db2.gz QKNVPTPBXHADJM-VURMDHGXSA-N 0 1 415.431 3.524 20 5 HHBDMN CN1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)[C@@H]1c1ccccc1 ZINC000760852629 1074451772 /nfs/dbraw/zinc/45/17/72/1074451772.db2.gz JRZXDEBWEBQVSQ-PBHICJAKSA-N 0 1 404.264 3.533 20 5 HHBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 ZINC000574073112 1075159794 /nfs/dbraw/zinc/15/97/94/1075159794.db2.gz VHHVTJITNRXDQA-ZDUSSCGKSA-N 0 1 417.418 3.961 20 5 HHBDMN Cc1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000575079169 1075471700 /nfs/dbraw/zinc/47/17/00/1075471700.db2.gz QEAAKQDZOMFTCI-KRWDZBQOSA-N 0 1 421.457 3.505 20 5 HHBDMN Cc1nc(CN2CCCC23CCN(c2ncnc4cc([N+](=O)[O-])ccc42)CC3)cs1 ZINC001164692428 719807931 /nfs/dbraw/zinc/80/79/31/719807931.db2.gz GQRUXTNEMTXINF-UHFFFAOYSA-N 0 1 424.530 3.938 20 5 HHBDMN C[C@@H]1CCCN(C(C)(C)CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301273103 970843537 /nfs/dbraw/zinc/84/35/37/970843537.db2.gz RKLAYVQAVZUNKS-GFCCVEGCSA-N 0 1 405.467 3.514 20 5 HHBDMN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000301371575 970891736 /nfs/dbraw/zinc/89/17/36/970891736.db2.gz SUNKIFPHAGPXPT-SFHVURJKSA-N 0 1 400.435 3.784 20 5 HHBDMN COC(=O)c1cc(N2CCCN(Cc3ccc(F)cc3)CC2)cc(C)c1[N+](=O)[O-] ZINC000301547878 970974297 /nfs/dbraw/zinc/97/42/97/970974297.db2.gz FSEUOJCGYMLXQL-UHFFFAOYSA-N 0 1 401.438 3.541 20 5 HHBDMN CNC(=O)c1ccc(NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000301901193 971107062 /nfs/dbraw/zinc/10/70/62/971107062.db2.gz ZWGLVNWDPHWOGE-KUHUBIRLSA-N 0 1 420.872 3.852 20 5 HHBDMN C[C@@H]1CCCCN1Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302613471 971264193 /nfs/dbraw/zinc/26/41/93/971264193.db2.gz FNTCHRUGFJFQHQ-MRXNPFEDSA-N 0 1 417.531 3.985 20 5 HHBDMN Cc1cc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302686031 971279662 /nfs/dbraw/zinc/27/96/62/971279662.db2.gz AHZWXBNJBWJHJE-UHFFFAOYSA-N 0 1 402.458 3.650 20 5 HHBDMN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000537549846 1013070699 /nfs/dbraw/zinc/07/06/99/1013070699.db2.gz HEPGSYHUEAWDJO-MRXNPFEDSA-N 0 1 416.441 3.881 20 5 HHBDMN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000537549796 1013070907 /nfs/dbraw/zinc/07/09/07/1013070907.db2.gz FGJMSVALYUKFFY-INIZCTEOSA-N 0 1 413.478 3.546 20 5 HHBDMN CC[NH+](CC)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000302977177 971431154 /nfs/dbraw/zinc/43/11/54/971431154.db2.gz HECWTALPPCGDBJ-QGZVFWFLSA-N 0 1 411.911 3.610 20 5 HHBDMN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000537555212 1013079267 /nfs/dbraw/zinc/07/92/67/1013079267.db2.gz CZQXGEQEPMAHJV-UHFFFAOYSA-N 0 1 403.398 3.941 20 5 HHBDMN CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000537628936 1013181482 /nfs/dbraw/zinc/18/14/82/1013181482.db2.gz MKELXEMIZOVLJT-NRFANRHFSA-N 0 1 419.485 3.623 20 5 HHBDMN CCOC(=O)c1cc(C(=O)Nc2c(F)cc(C(C)=O)c(F)c2F)cc([N+](=O)[O-])c1 ZINC000537751259 1013313743 /nfs/dbraw/zinc/31/37/43/1013313743.db2.gz GTLWIBNCFQZVFI-UHFFFAOYSA-N 0 1 410.304 3.644 20 5 HHBDMN CCOc1cc(Sc2nc(-c3ccc(OC)cc3OC)n[nH]2)ccc1[N+](=O)[O-] ZINC000537766759 1013330225 /nfs/dbraw/zinc/33/02/25/1013330225.db2.gz UYTKOPUPIRLIOC-UHFFFAOYSA-N 0 1 402.432 3.947 20 5 HHBDMN COC(=O)c1cc(C)nc(N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000553445240 1013359731 /nfs/dbraw/zinc/35/97/31/1013359731.db2.gz KDBQUGVZSSHTAS-HNNXBMFYSA-N 0 1 415.837 3.956 20 5 HHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000023139563 963774245 /nfs/dbraw/zinc/77/42/45/963774245.db2.gz VXOBNHNGGMDPDH-UHFFFAOYSA-N 0 1 402.882 3.951 20 5 HHBDMN COc1ccc(Br)cc1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026225267 964492375 /nfs/dbraw/zinc/49/23/75/964492375.db2.gz LMRRZRBMQOJIEG-UHFFFAOYSA-N 0 1 422.279 3.827 20 5 HHBDMN COc1ccc2nc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)[nH]c2c1 ZINC000026244101 964500787 /nfs/dbraw/zinc/50/07/87/964500787.db2.gz SMYMROCXOXHBLO-UHFFFAOYSA-N 0 1 402.432 3.609 20 5 HHBDMN COc1ccc2oc([C@H](C)NCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)c(C)c2c1 ZINC000542582336 1013523311 /nfs/dbraw/zinc/52/33/11/1013523311.db2.gz RVXDMQGTMMXWHV-ZDUSSCGKSA-N 0 1 413.430 3.956 20 5 HHBDMN O=C(NCC1CCCCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000027624061 964934710 /nfs/dbraw/zinc/93/47/10/964934710.db2.gz WWAANIFKAVMQKW-UHFFFAOYSA-N 0 1 417.487 3.706 20 5 HHBDMN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000537972928 1013549651 /nfs/dbraw/zinc/54/96/51/1013549651.db2.gz JGBQHRMENRPXQS-INIZCTEOSA-N 0 1 405.520 3.785 20 5 HHBDMN COc1cc(C(=O)Nc2nnc(-c3ccco3)s2)c([N+](=O)[O-])cc1OC(F)F ZINC000053887343 965302727 /nfs/dbraw/zinc/30/27/27/965302727.db2.gz XIQZAWJOGSKEJR-UHFFFAOYSA-N 0 1 412.330 3.569 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542626817 1013562480 /nfs/dbraw/zinc/56/24/80/1013562480.db2.gz MCLCFGMICNXPPG-IEBWSBKVSA-N 0 1 401.438 3.833 20 5 HHBDMN CCC[C@H](C)N(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000029448187 965383450 /nfs/dbraw/zinc/38/34/50/965383450.db2.gz HVZIOWGZVUPHCK-AWEZNQCLSA-N 0 1 405.476 3.656 20 5 HHBDMN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196451 966254806 /nfs/dbraw/zinc/25/48/06/966254806.db2.gz YRHXTHPXKWQAIB-HOTGVXAUSA-N 0 1 412.490 3.755 20 5 HHBDMN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196045 966254927 /nfs/dbraw/zinc/25/49/27/966254927.db2.gz VXXOEKPKMCNIOE-QLFBSQMISA-N 0 1 401.463 3.529 20 5 HHBDMN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1OC ZINC000032762112 966324548 /nfs/dbraw/zinc/32/45/48/966324548.db2.gz ZWXPOOZKIREIIM-INIZCTEOSA-N 0 1 419.503 3.631 20 5 HHBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000036332440 966430491 /nfs/dbraw/zinc/43/04/91/966430491.db2.gz IDTXTXHBHKDJTN-LJQANCHMSA-N 0 1 414.531 3.823 20 5 HHBDMN COc1ccc(OC)c(CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C2CC2)c1 ZINC000063494222 966875108 /nfs/dbraw/zinc/87/51/08/966875108.db2.gz QWFGGFNKPJFYBS-UHFFFAOYSA-N 0 1 413.474 3.914 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000043149385 966919109 /nfs/dbraw/zinc/91/91/09/966919109.db2.gz IQRHZNIBHKFVTC-IRXDYDNUSA-N 0 1 412.490 3.834 20 5 HHBDMN COc1ccc(CN2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC000043342529 966956480 /nfs/dbraw/zinc/95/64/80/966956480.db2.gz KLGQOHXRYWQQRU-UHFFFAOYSA-N 0 1 418.881 3.997 20 5 HHBDMN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000064375259 967159953 /nfs/dbraw/zinc/15/99/53/967159953.db2.gz KXJJQBXJBRCGOH-UHFFFAOYSA-N 0 1 420.365 3.822 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)NC2CCCC2)cc1C ZINC000065223573 967411220 /nfs/dbraw/zinc/41/12/20/967411220.db2.gz BSAQKOOENGLLIV-UHFFFAOYSA-N 0 1 417.487 3.685 20 5 HHBDMN C[C@@H](NCC(=O)Nc1c(F)cc(F)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000538178052 1013737253 /nfs/dbraw/zinc/73/72/53/1013737253.db2.gz PCKFRYGFZGEWDZ-SECBINFHSA-N 0 1 414.206 3.925 20 5 HHBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2cc(OC)c(OC)cc2C)c([N+](=O)[O-])c1 ZINC000538187329 1013744535 /nfs/dbraw/zinc/74/45/35/1013744535.db2.gz FRSROOYQHOPFGF-CQSZACIVSA-N 0 1 417.462 3.608 20 5 HHBDMN COc1ccc(NC(=O)CN[C@H](COc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000538218002 1013769791 /nfs/dbraw/zinc/76/97/91/1013769791.db2.gz NHBHWQIBXPTLOP-OAQYLSRUSA-N 0 1 421.453 3.952 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCC1 ZINC000048299510 968515396 /nfs/dbraw/zinc/51/53/96/968515396.db2.gz HWQNEXYPLAFHAD-LJQANCHMSA-N 0 1 408.458 3.652 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000538263875 1013805745 /nfs/dbraw/zinc/80/57/45/1013805745.db2.gz IPDORGZVAZEWIC-HNNXBMFYSA-N 0 1 414.487 3.656 20 5 HHBDMN CC1CCN([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c2cccs2)CC1 ZINC000069210843 968819995 /nfs/dbraw/zinc/81/99/95/968819995.db2.gz OFZBGNPPEIXWAJ-LJQANCHMSA-N 0 1 416.547 3.925 20 5 HHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000109484974 969523729 /nfs/dbraw/zinc/52/37/29/969523729.db2.gz BFSDXZYIFYVHBK-UHFFFAOYSA-N 0 1 423.498 3.582 20 5 HHBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CCSCC2)c1 ZINC000138650376 970006274 /nfs/dbraw/zinc/00/62/74/970006274.db2.gz AJVODOPOYLCYOF-UHFFFAOYSA-N 0 1 403.529 3.874 20 5 HHBDMN COc1cc(CNCc2c(C)nn(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237288802 970256577 /nfs/dbraw/zinc/25/65/77/970256577.db2.gz HYHAHIOZEAUZAN-UHFFFAOYSA-N 0 1 410.474 3.823 20 5 HHBDMN COc1ccc(CNCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cn1 ZINC000237479539 970295221 /nfs/dbraw/zinc/29/52/21/970295221.db2.gz AQLBGRRLCSFJOM-UHFFFAOYSA-N 0 1 409.442 3.876 20 5 HHBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000169311295 970466128 /nfs/dbraw/zinc/46/61/28/970466128.db2.gz OQSOKBTVLGPPBU-UHFFFAOYSA-N 0 1 405.502 3.507 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1cccc2[nH]ccc21 ZINC000409920587 973381614 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CN(C)Cc1ccc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1F ZINC000444300026 986484933 /nfs/dbraw/zinc/48/49/33/986484933.db2.gz XQRZTXMFWVVWOA-UHFFFAOYSA-N 0 1 421.447 3.951 20 5 HHBDMN COC(=O)C[C@]1(NCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CCOC1 ZINC000463704226 986689763 /nfs/dbraw/zinc/68/97/63/986689763.db2.gz GWYGXXVXQCLDIW-OAQYLSRUSA-N 0 1 416.499 3.866 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc(OC3CCCC3)c(F)c2)ccc1[N+](=O)[O-] ZINC000469239469 986960095 /nfs/dbraw/zinc/96/00/95/986960095.db2.gz SEWXEPDAXAXRKF-UHFFFAOYSA-N 0 1 410.423 3.865 20 5 HHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000445777392 987839989 /nfs/dbraw/zinc/83/99/89/987839989.db2.gz YNXIGPZRNWMCNN-UHFFFAOYSA-N 0 1 401.894 3.962 20 5 HHBDMN COc1cc(Cc2noc(-c3cc(Cl)c(O)c(OC)c3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445820878 987885641 /nfs/dbraw/zinc/88/56/41/987885641.db2.gz VCMKUXXCEIRMSR-UHFFFAOYSA-N 0 1 421.793 3.620 20 5 HHBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000470128929 988032663 /nfs/dbraw/zinc/03/26/63/988032663.db2.gz QYPMJHTYCFULFE-CQSZACIVSA-N 0 1 410.409 3.931 20 5 HHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000470988256 989052840 /nfs/dbraw/zinc/05/28/40/989052840.db2.gz CVUKPXQJBBXUSF-UHFFFAOYSA-N 0 1 405.208 3.885 20 5 HHBDMN O=C(NC1(c2nnc[nH]2)CCC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000471112960 989215563 /nfs/dbraw/zinc/21/55/63/989215563.db2.gz MZSRSXGBOXKYOF-UHFFFAOYSA-N 0 1 413.821 3.968 20 5 HHBDMN CCCCc1nc2ccc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cc2[nH]1 ZINC000465167608 989500276 /nfs/dbraw/zinc/50/02/76/989500276.db2.gz KWIFEXRWGMVLHN-UHFFFAOYSA-N 0 1 410.430 3.766 20 5 HHBDMN CO[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000466890256 992209500 /nfs/dbraw/zinc/20/95/00/992209500.db2.gz ISDIPYBLUKCAFV-CQSZACIVSA-N 0 1 423.249 3.707 20 5 HHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(OCc2cccc3ccccc32)C1 ZINC000467473784 992766125 /nfs/dbraw/zinc/76/61/25/992766125.db2.gz HUKRPWAQDDNDAM-UHFFFAOYSA-N 0 1 402.410 3.666 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3[C@@H](C)CC[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000467498881 992783434 /nfs/dbraw/zinc/78/34/34/992783434.db2.gz NEZLPXBPDLLPEI-GJZGRUSLSA-N 0 1 417.487 3.717 20 5 HHBDMN CC(C)(NC(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])c1nn[nH]n1 ZINC000467798481 993033755 /nfs/dbraw/zinc/03/37/55/993033755.db2.gz MHHMBRIZFHHUQZ-UHFFFAOYSA-N 0 1 418.866 3.578 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000481078105 993917597 /nfs/dbraw/zinc/91/75/97/993917597.db2.gz WDFBOIJKYLMFFE-UHFFFAOYSA-N 0 1 423.454 3.722 20 5 HHBDMN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4nc5ccccc5s4)CC3)nc2c1 ZINC000481175809 994005539 /nfs/dbraw/zinc/00/55/39/994005539.db2.gz NAVWBVMKBXPXPK-UHFFFAOYSA-N 0 1 408.487 3.793 20 5 HHBDMN C[C@H](NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000481312290 994129770 /nfs/dbraw/zinc/12/97/70/994129770.db2.gz WZJLXGKTTUNMAR-IRXDYDNUSA-N 0 1 417.531 3.866 20 5 HHBDMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000481445144 994282099 /nfs/dbraw/zinc/28/20/99/994282099.db2.gz QJOUOFWPKQDKFA-XCLFUZPHSA-N 0 1 403.866 3.503 20 5 HHBDMN Cc1cc(NC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000473769042 994687855 /nfs/dbraw/zinc/68/78/55/994687855.db2.gz YXULQENRBHTGCN-HNNXBMFYSA-N 0 1 420.351 3.951 20 5 HHBDMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000481872219 994735584 /nfs/dbraw/zinc/73/55/84/994735584.db2.gz WDNFPKPTRNEXSP-IEBWSBKVSA-N 0 1 415.515 3.517 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000481968664 994857845 /nfs/dbraw/zinc/85/78/45/994857845.db2.gz AZQCNRYZJIHIQZ-QGZVFWFLSA-N 0 1 416.459 3.740 20 5 HHBDMN COC(=O)c1ccccc1-c1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000482009939 994915837 /nfs/dbraw/zinc/91/58/37/994915837.db2.gz QINYXQPWESYYSY-HNNXBMFYSA-N 0 1 422.441 3.723 20 5 HHBDMN COc1cccc([C@@H]2[C@H](NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CCN2C2CC2)c1 ZINC000482017342 994926871 /nfs/dbraw/zinc/92/68/71/994926871.db2.gz VKHHMHRVQNVEBA-IFMALSPDSA-N 0 1 420.469 3.793 20 5 HHBDMN COC(=O)COc1ccc(CN[C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000474349755 995329422 /nfs/dbraw/zinc/32/94/22/995329422.db2.gz HXXMEFXVHNCWQJ-MRXNPFEDSA-N 0 1 418.421 3.678 20 5 HHBDMN COC(=O)COc1ccc(CN[C@@H]2CCSc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000474358558 995338654 /nfs/dbraw/zinc/33/86/54/995338654.db2.gz SPRIWTRCUNERJC-OAHLLOKOSA-N 0 1 406.435 3.612 20 5 HHBDMN Cc1[nH]nc(C(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000474655383 995601189 /nfs/dbraw/zinc/60/11/89/995601189.db2.gz ZSGHTNOFPFQXAZ-GFCCVEGCSA-N 0 1 400.382 3.575 20 5 HHBDMN Cc1c(NC(=O)CCN[C@@H](C)c2ccc(Br)cn2)cccc1[N+](=O)[O-] ZINC000482977574 995895585 /nfs/dbraw/zinc/89/55/85/995895585.db2.gz FUZISUNGNGTUFJ-LBPRGKRZSA-N 0 1 407.268 3.740 20 5 HHBDMN CO[C@]1(C)CCCN([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000483013843 995919544 /nfs/dbraw/zinc/91/95/44/995919544.db2.gz HNBGWCKHFPSRSV-JLTOFOAXSA-N 0 1 418.519 3.936 20 5 HHBDMN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000475187449 995982954 /nfs/dbraw/zinc/98/29/54/995982954.db2.gz YGHSLHKGTVDOKE-CQSZACIVSA-N 0 1 406.324 3.643 20 5 HHBDMN COc1cc(CN2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000475334532 996076116 /nfs/dbraw/zinc/07/61/16/996076116.db2.gz LILJWTTWGDVPSH-JOCHJYFZSA-N 0 1 400.475 3.919 20 5 HHBDMN Cc1nnc(-c2cc(F)ccc2NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)o1 ZINC000475820558 996392564 /nfs/dbraw/zinc/39/25/64/996392564.db2.gz WELOOZWXXFLZST-UHFFFAOYSA-N 0 1 406.395 3.510 20 5 HHBDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CCC(Oc3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC000476185666 996664670 /nfs/dbraw/zinc/66/46/70/996664670.db2.gz BBQKEDGDHKOHOL-HNNXBMFYSA-N 0 1 412.490 3.616 20 5 HHBDMN C[C@H](Nc1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-])c1ccccn1 ZINC000484776834 997123990 /nfs/dbraw/zinc/12/39/90/997123990.db2.gz QPPMLCXZFOBDKC-SCLBCKFNSA-N 0 1 406.446 3.693 20 5 HHBDMN CC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(Cl)c1 ZINC000485123811 997508106 /nfs/dbraw/zinc/50/81/06/997508106.db2.gz SBZIOVJUXZHFCQ-UHFFFAOYSA-N 0 1 404.231 3.661 20 5 HHBDMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000485128292 997513329 /nfs/dbraw/zinc/51/33/29/997513329.db2.gz MZRUOTWBFZDXDA-UHFFFAOYSA-N 0 1 400.354 3.927 20 5 HHBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477243233 997916806 /nfs/dbraw/zinc/91/68/06/997916806.db2.gz HILZXJZAGUTUBA-KBPBESRZSA-N 0 1 423.477 3.895 20 5 HHBDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477311489 997999717 /nfs/dbraw/zinc/99/97/17/997999717.db2.gz UQKOBXDIAUYEIX-RBSFLKMASA-N 0 1 414.510 3.810 20 5 HHBDMN CCc1cc(Br)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000477412453 998097497 /nfs/dbraw/zinc/09/74/97/998097497.db2.gz GPUWKJGXFYOSJD-UHFFFAOYSA-N 0 1 415.265 3.729 20 5 HHBDMN CCOc1cccc(-c2cccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000486006684 998450112 /nfs/dbraw/zinc/45/01/12/998450112.db2.gz SHDUXQFKFKLYNU-UHFFFAOYSA-N 0 1 413.455 3.997 20 5 HHBDMN O=[N+]([O-])c1cc(CNS(=O)(=O)c2c(F)cc(F)cc2F)cc(C(F)(F)F)c1 ZINC000487399735 999161351 /nfs/dbraw/zinc/16/13/51/999161351.db2.gz SHKIOSITSDGHJB-UHFFFAOYSA-N 0 1 414.283 3.509 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2cc(-c3ncco3)ccc2C)cc1[N+](=O)[O-] ZINC000488299864 999429430 /nfs/dbraw/zinc/42/94/30/999429430.db2.gz RICOALWQGNGAQK-UHFFFAOYSA-N 0 1 407.379 3.507 20 5 HHBDMN COc1cc(C(=O)NCc2cnc[nH]2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000479590087 999492343 /nfs/dbraw/zinc/49/23/43/999492343.db2.gz MRKPXZLHXHGLSB-UHFFFAOYSA-N 0 1 402.794 3.702 20 5 HHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(OCc4ccccc4F)nc3)CC2)n1 ZINC000488712561 999584582 /nfs/dbraw/zinc/58/45/82/999584582.db2.gz KFLYDLMXNKBSJV-UHFFFAOYSA-N 0 1 411.437 3.742 20 5 HHBDMN COc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1OC1CCCC1 ZINC000488758870 999598765 /nfs/dbraw/zinc/59/87/65/999598765.db2.gz JSLWIXAWYIRVMF-UHFFFAOYSA-N 0 1 424.450 3.542 20 5 HHBDMN C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488783023 999606392 /nfs/dbraw/zinc/60/63/92/999606392.db2.gz MPYJAXRRHYFTQU-DLBZAZTESA-N 0 1 421.501 3.847 20 5 HHBDMN O=C(Nc1cc(Cl)cc(Br)c1O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489244908 999729304 /nfs/dbraw/zinc/72/93/04/999729304.db2.gz DIDADTFNJGTZRN-UHFFFAOYSA-N 0 1 415.583 3.697 20 5 HHBDMN CC(C)[C@H]1CN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCN1C ZINC000489347994 999750028 /nfs/dbraw/zinc/75/00/28/999750028.db2.gz CBPJRKRMRBCJLN-HRAATJIYSA-N 0 1 411.506 3.575 20 5 HHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000489362566 999752149 /nfs/dbraw/zinc/75/21/49/999752149.db2.gz VKNOOYGEIWZMQM-UHFFFAOYSA-N 0 1 423.498 3.582 20 5 HHBDMN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1C ZINC000480242406 999754708 /nfs/dbraw/zinc/75/47/08/999754708.db2.gz BVDYMOGJOBVUPC-SECBINFHSA-N 0 1 417.285 3.634 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000480671860 999855790 /nfs/dbraw/zinc/85/57/90/999855790.db2.gz SWHWXHLPQRBLIV-HZPDHXFCSA-N 0 1 406.504 3.815 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)c1 ZINC000489892897 999856899 /nfs/dbraw/zinc/85/68/99/999856899.db2.gz SMHQMDBBVIHSBD-MGPUTAFESA-N 0 1 400.479 3.575 20 5 HHBDMN CS(=O)(=O)Nc1ccc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000490184616 999906770 /nfs/dbraw/zinc/90/67/70/999906770.db2.gz MJCYNDFQMDYZKH-NRFANRHFSA-N 0 1 411.483 3.846 20 5 HHBDMN COc1cc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc([N+](=O)[O-])c1OC ZINC000490249213 999921275 /nfs/dbraw/zinc/92/12/75/999921275.db2.gz SBGMQGNRFUHYBV-UHFFFAOYSA-N 0 1 410.308 3.759 20 5 HHBDMN Cc1cccc(-c2nc(CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cs2)c1 ZINC000490376120 999947491 /nfs/dbraw/zinc/94/74/91/999947491.db2.gz XDZUTOOBBANYKH-UHFFFAOYSA-N 0 1 420.454 3.993 20 5 HHBDMN CN(C)Cc1ccc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1F ZINC000491017719 1000034240 /nfs/dbraw/zinc/03/42/40/1000034240.db2.gz FNRXSLJMONORQK-UHFFFAOYSA-N 0 1 400.454 3.670 20 5 HHBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000491597421 1000087726 /nfs/dbraw/zinc/08/77/26/1000087726.db2.gz VDOAPBHWPDWKQQ-UHFFFAOYSA-N 0 1 418.475 3.640 20 5 HHBDMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000504597322 1000286425 /nfs/dbraw/zinc/28/64/25/1000286425.db2.gz IONSBTMEWGXWCP-MRXNPFEDSA-N 0 1 414.481 3.675 20 5 HHBDMN COC(=O)c1cccc2nc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[nH]c21 ZINC000494088821 1000302499 /nfs/dbraw/zinc/30/24/99/1000302499.db2.gz HFEMWFCRYOEXKX-UHFFFAOYSA-N 0 1 423.410 3.634 20 5 HHBDMN O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505783744 1001021290 /nfs/dbraw/zinc/02/12/90/1001021290.db2.gz UHIXZOAQESJXQV-UHFFFAOYSA-N 0 1 409.221 3.767 20 5 HHBDMN O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505963584 1001130746 /nfs/dbraw/zinc/13/07/46/1001130746.db2.gz CCFJNPVXUSFXOD-UHFFFAOYSA-N 0 1 402.410 3.628 20 5 HHBDMN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000506011151 1001161316 /nfs/dbraw/zinc/16/13/16/1001161316.db2.gz YTRRFYYWZLJFOF-CQSZACIVSA-N 0 1 415.471 3.695 20 5 HHBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000496566186 1001198449 /nfs/dbraw/zinc/19/84/49/1001198449.db2.gz BLIXGILBBFICGB-GOSISDBHSA-N 0 1 401.373 3.551 20 5 HHBDMN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000497109275 1001271237 /nfs/dbraw/zinc/27/12/37/1001271237.db2.gz RXGLALMOIJXARX-KRWDZBQOSA-N 0 1 402.414 3.839 20 5 HHBDMN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000497109275 1001271241 /nfs/dbraw/zinc/27/12/41/1001271241.db2.gz RXGLALMOIJXARX-KRWDZBQOSA-N 0 1 402.414 3.839 20 5 HHBDMN Cc1ccc([C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000506448682 1001418039 /nfs/dbraw/zinc/41/80/39/1001418039.db2.gz RUKTVJSBCGGWGW-IBGZPJMESA-N 0 1 400.479 3.642 20 5 HHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000497629715 1001464676 /nfs/dbraw/zinc/46/46/76/1001464676.db2.gz XNEZPPSTRCNNQA-OAHLLOKOSA-N 0 1 415.515 3.671 20 5 HHBDMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000497734226 1001499054 /nfs/dbraw/zinc/49/90/54/1001499054.db2.gz NPCTZDUOVPYWOC-MRXNPFEDSA-N 0 1 414.481 3.675 20 5 HHBDMN C[C@@H]1CN(Cc2ccccc2CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H](C)O1 ZINC000506838679 1001558987 /nfs/dbraw/zinc/55/89/87/1001558987.db2.gz QBGUAOLBCSMNNU-HZPDHXFCSA-N 0 1 424.501 3.701 20 5 HHBDMN CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000497981851 1001589690 /nfs/dbraw/zinc/58/96/90/1001589690.db2.gz FGRZVEINWOKWFZ-CRAIPNDOSA-N 0 1 421.494 3.580 20 5 HHBDMN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1Cc1ccccc1 ZINC000498278412 1001750824 /nfs/dbraw/zinc/75/08/24/1001750824.db2.gz IUDJRUHWAIZGMZ-UHFFFAOYSA-N 0 1 404.470 3.880 20 5 HHBDMN CN1CCO[C@H]([C@H](NC/C=C\c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000498352933 1001790816 /nfs/dbraw/zinc/79/08/16/1001790816.db2.gz JLYKACSNTWUCMK-KFYQVMNLSA-N 0 1 401.894 3.923 20 5 HHBDMN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000507178575 1001865589 /nfs/dbraw/zinc/86/55/89/1001865589.db2.gz LTCNMWSKDSDIHR-DIFFPNOSSA-N 0 1 400.822 3.727 20 5 HHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000507313108 1001991989 /nfs/dbraw/zinc/99/19/89/1001991989.db2.gz LJLGTHOSHCOHES-UHFFFAOYSA-N 0 1 415.449 3.828 20 5 HHBDMN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507334457 1002006532 /nfs/dbraw/zinc/00/65/32/1002006532.db2.gz HKBQNJVBQVLVOB-QFYYESIMSA-N 0 1 409.236 3.569 20 5 HHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000507821150 1002366780 /nfs/dbraw/zinc/36/67/80/1002366780.db2.gz AGRUPSNBXPKYDP-UHFFFAOYSA-N 0 1 421.563 3.671 20 5 HHBDMN O=C(N[C@H](c1nnc[nH]1)c1ccccc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000499128085 1002512122 /nfs/dbraw/zinc/51/21/22/1002512122.db2.gz BXIXUVZTGGDQPN-FQEVSTJZSA-N 0 1 414.425 3.976 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000499177692 1002566246 /nfs/dbraw/zinc/56/62/46/1002566246.db2.gz UPLMHXOFCALJBV-UHFFFAOYSA-N 0 1 414.281 3.533 20 5 HHBDMN CC(C)CN(CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000508053401 1002575235 /nfs/dbraw/zinc/57/52/35/1002575235.db2.gz OVNMFZXMSHLHQY-UHFFFAOYSA-N 0 1 410.268 3.561 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500175135 1003526071 /nfs/dbraw/zinc/52/60/71/1003526071.db2.gz ZDTZDYCLWYCTTF-QGZVFWFLSA-N 0 1 408.857 3.949 20 5 HHBDMN COCCn1cc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cn1 ZINC000500377689 1003675032 /nfs/dbraw/zinc/67/50/32/1003675032.db2.gz PJNNGJLPZORKTR-UHFFFAOYSA-N 0 1 400.410 3.659 20 5 HHBDMN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000511831933 1003806299 /nfs/dbraw/zinc/80/62/99/1003806299.db2.gz LKQCVXGPBVBWPS-OAHLLOKOSA-N 0 1 423.391 3.627 20 5 HHBDMN Cc1c(Br)cc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000509580290 1003958883 /nfs/dbraw/zinc/95/88/83/1003958883.db2.gz WDCXFDBFEFNZOU-AWEZNQCLSA-N 0 1 412.309 3.760 20 5 HHBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c1[N+](=O)[O-] ZINC000512060356 1003991239 /nfs/dbraw/zinc/99/12/39/1003991239.db2.gz UAAWCCJDGUMLKK-CQSZACIVSA-N 0 1 416.482 3.542 20 5 HHBDMN O=C(CSc1cccc([N+](=O)[O-])c1)Nc1cccc(CN2CCSCC2)c1 ZINC000509652230 1004006152 /nfs/dbraw/zinc/00/61/52/1004006152.db2.gz KCCPYUQRMNBUNU-UHFFFAOYSA-N 0 1 403.529 3.874 20 5 HHBDMN Cc1ccc([C@H](CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000512157379 1004065012 /nfs/dbraw/zinc/06/50/12/1004065012.db2.gz XPOJPIDQQDXQHG-IBGZPJMESA-N 0 1 400.479 3.517 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000509858671 1004154893 /nfs/dbraw/zinc/15/48/93/1004154893.db2.gz UOBCDKPQOHDWDQ-UHFFFAOYSA-N 0 1 411.439 3.956 20 5 HHBDMN O=C(Cc1ccccc1)N1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000509963729 1004234582 /nfs/dbraw/zinc/23/45/82/1004234582.db2.gz LRBCVHSBKJWKPQ-KRWDZBQOSA-N 0 1 419.428 3.520 20 5 HHBDMN C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)CN1Cc1ccccc1 ZINC000501770942 1004709167 /nfs/dbraw/zinc/70/91/67/1004709167.db2.gz REFZHRCVXIWDPX-SJORKVTESA-N 0 1 407.474 3.740 20 5 HHBDMN O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCC[NH+]1CCCCC1 ZINC000501887540 1004796172 /nfs/dbraw/zinc/79/61/72/1004796172.db2.gz PNVKPKAIXPRBEY-UHFFFAOYSA-N 0 1 418.519 3.684 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1[N+](=O)[O-] ZINC000502150914 1004925437 /nfs/dbraw/zinc/92/54/37/1004925437.db2.gz AOHXSALAWVABQI-NSHDSACASA-N 0 1 401.398 3.571 20 5 HHBDMN COc1cc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c([N+](=O)[O-])cc1OC ZINC000502345179 1005024454 /nfs/dbraw/zinc/02/44/54/1005024454.db2.gz KRJHKXJXXFNOGR-OAHLLOKOSA-N 0 1 400.479 3.524 20 5 HHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)c1 ZINC000511178290 1005060575 /nfs/dbraw/zinc/06/05/75/1005060575.db2.gz PRPVPXZTFZWXJB-UHFFFAOYSA-N 0 1 417.878 3.728 20 5 HHBDMN COc1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000511498540 1005201671 /nfs/dbraw/zinc/20/16/71/1005201671.db2.gz KBKDQTLEHMDGPR-UHFFFAOYSA-N 0 1 403.866 3.651 20 5 HHBDMN NC(=O)c1ccc(CN[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000511588889 1005236222 /nfs/dbraw/zinc/23/62/22/1005236222.db2.gz STRYBRGRIZNUHE-QGZVFWFLSA-N 0 1 409.364 3.833 20 5 HHBDMN CCN(Cc1cnn(C)c1)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000511623248 1005249074 /nfs/dbraw/zinc/24/90/74/1005249074.db2.gz NGFDSWKIDBEJSZ-UHFFFAOYSA-N 0 1 410.474 3.938 20 5 HHBDMN CCCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502919995 1005274842 /nfs/dbraw/zinc/27/48/42/1005274842.db2.gz QMWPQOQFUKPLML-QGZVFWFLSA-N 0 1 424.501 3.613 20 5 HHBDMN Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(OC[C@H]2CCCO2)c1 ZINC000511737465 1005299829 /nfs/dbraw/zinc/29/98/29/1005299829.db2.gz KWHUHHANNXEQHD-OAHLLOKOSA-N 0 1 406.460 3.570 20 5 HHBDMN CC(C)(C)NC(=O)CN1CCC(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000514196887 1005307792 /nfs/dbraw/zinc/30/77/92/1005307792.db2.gz FBFYUFDUUJECRW-UHFFFAOYSA-N 0 1 416.444 3.652 20 5 HHBDMN CC(C)Oc1cc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccn1 ZINC000503241341 1005375227 /nfs/dbraw/zinc/37/52/27/1005375227.db2.gz AEAMCINRIPAMRG-UHFFFAOYSA-N 0 1 420.274 3.562 20 5 HHBDMN COc1ccc(Br)c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000503420800 1005415096 /nfs/dbraw/zinc/41/50/96/1005415096.db2.gz UULLLVBYKGOAEY-UHFFFAOYSA-N 0 1 421.656 3.820 20 5 HHBDMN CCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H](C)CC(=O)Nc1ccccc1 ZINC000504226789 1005577378 /nfs/dbraw/zinc/57/73/78/1005577378.db2.gz CVZWAWOEQMTTRT-CQSZACIVSA-N 0 1 409.446 3.741 20 5 HHBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000534017318 1005987625 /nfs/dbraw/zinc/98/76/25/1005987625.db2.gz GDBAIKDHHWACQI-URKNILKWSA-N 0 1 403.866 3.577 20 5 HHBDMN COc1ccc2c(c1)CCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])CC2 ZINC000534102098 1006074038 /nfs/dbraw/zinc/07/40/38/1006074038.db2.gz QWDIKCMPCJMYCT-UHFFFAOYSA-N 0 1 408.401 3.814 20 5 HHBDMN Cc1ccc(CNCc2n[nH]c(-c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] ZINC000531257345 1006075501 /nfs/dbraw/zinc/07/55/01/1006075501.db2.gz YIYFNHMIBWBBQD-UHFFFAOYSA-N 0 1 402.252 3.741 20 5 HHBDMN Cc1ccc(CNCc2nc(-c3ccc(Br)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000531257345 1006075507 /nfs/dbraw/zinc/07/55/07/1006075507.db2.gz YIYFNHMIBWBBQD-UHFFFAOYSA-N 0 1 402.252 3.741 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000534215690 1006211831 /nfs/dbraw/zinc/21/18/31/1006211831.db2.gz JXDGKMZFWWVMAV-HNNXBMFYSA-N 0 1 423.473 3.606 20 5 HHBDMN COc1cc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000534229754 1006228444 /nfs/dbraw/zinc/22/84/44/1006228444.db2.gz KCIQMYVLGQAAJQ-LIRRHRJNSA-N 0 1 421.856 3.819 20 5 HHBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc3ccncc32)c1 ZINC000531527040 1006254749 /nfs/dbraw/zinc/25/47/49/1006254749.db2.gz GUFFWAUFEORRRM-UHFFFAOYSA-N 0 1 408.233 3.706 20 5 HHBDMN C[C@@H](NCc1ccc(OCCN2CCOCC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000531584574 1006286728 /nfs/dbraw/zinc/28/67/28/1006286728.db2.gz ZDLFHLCHZHYODS-MRXNPFEDSA-N 0 1 419.909 3.810 20 5 HHBDMN COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000515162668 1006320521 /nfs/dbraw/zinc/32/05/21/1006320521.db2.gz UNJSLVZDEVQIFP-UHFFFAOYSA-N 0 1 424.438 3.948 20 5 HHBDMN COc1cccc(OC(F)(F)F)c1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000515624127 1006563540 /nfs/dbraw/zinc/56/35/40/1006563540.db2.gz CSDBIZMMCAGFOQ-KGLIPLIRSA-N 0 1 414.384 3.972 20 5 HHBDMN Cc1c([C@H](C)NCc2ccccc2CS(=O)(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000532214517 1006727525 /nfs/dbraw/zinc/72/75/25/1006727525.db2.gz CWLIPCUZHKPHKV-INIZCTEOSA-N 0 1 405.520 3.582 20 5 HHBDMN CSc1ccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000515963823 1006793031 /nfs/dbraw/zinc/79/30/31/1006793031.db2.gz HIJVTOIJLMCUIE-UHFFFAOYSA-N 0 1 403.479 3.850 20 5 HHBDMN Cc1cc(N(C)C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000534903739 1006935550 /nfs/dbraw/zinc/93/55/50/1006935550.db2.gz BBVDVBQFAWMTMW-UHFFFAOYSA-N 0 1 414.281 3.533 20 5 HHBDMN COc1cccc([C@H]2[C@@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CCN2C2CC2)c1 ZINC000538674870 1006959227 /nfs/dbraw/zinc/95/92/27/1006959227.db2.gz GLJVFSXHUAUBEN-MBSDFSHPSA-N 0 1 422.485 3.878 20 5 HHBDMN CN1CC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534971748 1007028709 /nfs/dbraw/zinc/02/87/09/1007028709.db2.gz PDBCCOKHQOQOEP-HNAYVOBHSA-N 0 1 420.872 3.880 20 5 HHBDMN C[C@H]1CN(Cc2ccc(CNC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cc2)C[C@H](C)O1 ZINC000534984277 1007042747 /nfs/dbraw/zinc/04/27/47/1007042747.db2.gz DGQNAUSYSKAGQR-HOTGVXAUSA-N 0 1 422.485 3.615 20 5 HHBDMN O=C(Nc1cccc(Cl)c1O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000535026892 1007070919 /nfs/dbraw/zinc/07/09/19/1007070919.db2.gz FKAFYWRQORJTCK-UHFFFAOYSA-N 0 1 418.574 3.811 20 5 HHBDMN CN(c1ccccc1)c1ccc(CN2CCC(Cn3ccnn3)CC2)cc1[N+](=O)[O-] ZINC000538803740 1007083311 /nfs/dbraw/zinc/08/33/11/1007083311.db2.gz VOBFMCBGURXXFC-UHFFFAOYSA-N 0 1 406.490 3.866 20 5 HHBDMN CNC(=O)c1ccc(NC[C@H](c2ccccc2Cl)N2CCCC2)c([N+](=O)[O-])c1 ZINC000516607038 1007187749 /nfs/dbraw/zinc/18/77/49/1007187749.db2.gz YZAIOCDWQQHQBT-LJQANCHMSA-N 0 1 402.882 3.857 20 5 HHBDMN CCC[C@H](N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000539086499 1007375162 /nfs/dbraw/zinc/37/51/62/1007375162.db2.gz JGRFTSKKMZFHLC-LEWJYISDSA-N 0 1 413.474 3.848 20 5 HHBDMN CC(=O)c1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1C ZINC000535339633 1007392389 /nfs/dbraw/zinc/39/23/89/1007392389.db2.gz JFWLNHYELGAKKE-UHFFFAOYSA-N 0 1 413.249 3.669 20 5 HHBDMN CCCOc1ccc([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000539253660 1007547049 /nfs/dbraw/zinc/54/70/49/1007547049.db2.gz OEEYUQHODKWEGS-HNNXBMFYSA-N 0 1 401.463 3.990 20 5 HHBDMN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000539276397 1007570168 /nfs/dbraw/zinc/57/01/68/1007570168.db2.gz LCGGENNOCKQQSQ-OAHLLOKOSA-N 0 1 405.838 3.699 20 5 HHBDMN CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000533282411 1007595647 /nfs/dbraw/zinc/59/56/47/1007595647.db2.gz RUIGFNMJAVDSRH-HNNXBMFYSA-N 0 1 401.463 3.504 20 5 HHBDMN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cc(Br)cc(Cl)c1O ZINC000535656991 1007671237 /nfs/dbraw/zinc/67/12/37/1007671237.db2.gz XCBIWBIZEVDWFY-UHFFFAOYSA-N 0 1 401.600 3.734 20 5 HHBDMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000517563334 1007771522 /nfs/dbraw/zinc/77/15/22/1007771522.db2.gz CSYISNPNICTBEY-UHFFFAOYSA-N 0 1 415.369 3.564 20 5 HHBDMN O=C(c1cccc(Br)c1O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000535792074 1007797554 /nfs/dbraw/zinc/79/75/54/1007797554.db2.gz OVONRPRTNXAMOQ-MRXNPFEDSA-N 0 1 409.261 3.951 20 5 HHBDMN Cc1c(NC(=O)CCN2CCN([C@H](C)c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000539882861 1008160367 /nfs/dbraw/zinc/16/03/67/1008160367.db2.gz DSLGFLGUMKJIEM-QGZVFWFLSA-N 0 1 414.481 3.750 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1CN(c1nccs1)C2 ZINC000533898069 1008190630 /nfs/dbraw/zinc/19/06/30/1008190630.db2.gz WSXVTJZPHMALLW-UHFFFAOYSA-N 0 1 416.484 3.681 20 5 HHBDMN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1-c1nnc[nH]1 ZINC000539999476 1008228420 /nfs/dbraw/zinc/22/84/20/1008228420.db2.gz BPBWWYNUSXQMAY-UHFFFAOYSA-N 0 1 420.351 3.839 20 5 HHBDMN Cc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000540117552 1008296814 /nfs/dbraw/zinc/29/68/14/1008296814.db2.gz GLFBDQSCDLANSB-QGZVFWFLSA-N 0 1 417.531 3.929 20 5 HHBDMN COc1ccc(Br)c(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000540169734 1008320253 /nfs/dbraw/zinc/32/02/53/1008320253.db2.gz SNIJADHXNVMBSS-GFCCVEGCSA-N 0 1 422.279 3.873 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC000518602824 1008361650 /nfs/dbraw/zinc/36/16/50/1008361650.db2.gz NXIVOCSGANLTOT-HNNXBMFYSA-N 0 1 415.471 3.999 20 5 HHBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000540318603 1008377605 /nfs/dbraw/zinc/37/76/05/1008377605.db2.gz CFTKTCIHRIRFQH-GFCCVEGCSA-N 0 1 409.389 3.884 20 5 HHBDMN Cc1ccc(Sc2ccc(C(=O)N3CCC[C@@H](c4nn[nH]n4)C3)cc2[N+](=O)[O-])cc1 ZINC000540423043 1008427067 /nfs/dbraw/zinc/42/70/67/1008427067.db2.gz OCJMCMXRYYBNDZ-OAHLLOKOSA-N 0 1 424.486 3.587 20 5 HHBDMN CN(C)[C@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549109147 1008673663 /nfs/dbraw/zinc/67/36/63/1008673663.db2.gz OLXLWRRSHPEYGB-LJQANCHMSA-N 0 1 404.898 3.735 20 5 HHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccccc2)C1 ZINC000543264739 1008837690 /nfs/dbraw/zinc/83/76/90/1008837690.db2.gz GJPRMJQKVULUAW-INIZCTEOSA-N 0 1 405.907 3.731 20 5 HHBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000543339897 1008924394 /nfs/dbraw/zinc/92/43/94/1008924394.db2.gz CDJJJWXSJFNCTI-GOSISDBHSA-N 0 1 420.473 3.512 20 5 HHBDMN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c2cccnc12 ZINC000545904627 1008988537 /nfs/dbraw/zinc/98/85/37/1008988537.db2.gz XAXYWJIZQYXUMT-UHFFFAOYSA-N 0 1 410.411 3.501 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000520038042 1009197325 /nfs/dbraw/zinc/19/73/25/1009197325.db2.gz ZEBNRTQTKBEHEV-UHFFFAOYSA-N 0 1 406.851 3.797 20 5 HHBDMN COc1cc(CN2CCC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000543748579 1009328074 /nfs/dbraw/zinc/32/80/74/1009328074.db2.gz YKLACSBNVGQKGB-SJLPKXTDSA-N 0 1 400.475 3.775 20 5 HHBDMN COc1cc(CN2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000543748573 1009328122 /nfs/dbraw/zinc/32/81/22/1009328122.db2.gz YKLACSBNVGQKGB-AEFFLSMTSA-N 0 1 400.475 3.775 20 5 HHBDMN COc1cccc(N2C[C@H](NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2=O)c1 ZINC000520216006 1009346310 /nfs/dbraw/zinc/34/63/10/1009346310.db2.gz NILRRELUXWOKHQ-OAHLLOKOSA-N 0 1 407.426 3.759 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000520295253 1009419657 /nfs/dbraw/zinc/41/96/57/1009419657.db2.gz UKSCQEDXDSSIDH-UHFFFAOYSA-N 0 1 404.854 3.659 20 5 HHBDMN C[C@H]1C[C@H]1c1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000546475124 1009495772 /nfs/dbraw/zinc/49/57/72/1009495772.db2.gz RCYOOTCFRWWFFG-MEDUHNTESA-N 0 1 400.416 3.569 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000543919194 1009510732 /nfs/dbraw/zinc/51/07/32/1009510732.db2.gz CGIDGBYYAYSSRN-CYBMUJFWSA-N 0 1 412.368 3.674 20 5 HHBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)c1 ZINC000544110440 1009720653 /nfs/dbraw/zinc/72/06/53/1009720653.db2.gz MEXHBMIRHHTGHW-QFBILLFUSA-N 0 1 421.284 3.838 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]3c3n[nH]c(-c4ccccc4)n3)n2)c1 ZINC000550259833 1009812887 /nfs/dbraw/zinc/81/28/87/1009812887.db2.gz VLHLJHOUYKRBPE-QGZVFWFLSA-N 0 1 417.429 3.767 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)n2)c1 ZINC000550259833 1009812907 /nfs/dbraw/zinc/81/29/07/1009812907.db2.gz VLHLJHOUYKRBPE-QGZVFWFLSA-N 0 1 417.429 3.767 20 5 HHBDMN COc1cccc(N2C[C@@H](NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2=O)c1 ZINC000520961458 1010008625 /nfs/dbraw/zinc/00/86/25/1010008625.db2.gz SGIQALUNAHZCCF-INIZCTEOSA-N 0 1 407.426 3.759 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000544528004 1010157145 /nfs/dbraw/zinc/15/71/45/1010157145.db2.gz CGUQLPCJYPCXBS-PXNSSMCTSA-N 0 1 401.438 3.833 20 5 HHBDMN CC(C)Oc1ccc(CC[C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000521158103 1010187958 /nfs/dbraw/zinc/18/79/58/1010187958.db2.gz RPMGLSFCQNSPRC-CQSZACIVSA-N 0 1 410.467 3.821 20 5 HHBDMN CN(CC1CCCC1)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000521178985 1010211327 /nfs/dbraw/zinc/21/13/27/1010211327.db2.gz ZZFMHRXNOOQUQQ-UHFFFAOYSA-N 0 1 417.487 3.658 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000544629987 1010252847 /nfs/dbraw/zinc/25/28/47/1010252847.db2.gz CJYGVTCWLUDQQW-SFHVURJKSA-N 0 1 405.401 3.790 20 5 HHBDMN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000521566228 1010469109 /nfs/dbraw/zinc/46/91/09/1010469109.db2.gz HNDVHMLFMAVGJR-UHFFFAOYSA-N 0 1 418.258 3.969 20 5 HHBDMN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@H]4CCCN(Cc5cccnc5)C4)n3)c2c1 ZINC000545143502 1010644823 /nfs/dbraw/zinc/64/48/23/1010644823.db2.gz XYFXDXMFAGKMMU-INIZCTEOSA-N 0 1 418.457 3.825 20 5 HHBDMN Cc1ccc(C(C)(C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000545397969 1010772683 /nfs/dbraw/zinc/77/26/83/1010772683.db2.gz QWCDKJMFDRMZHW-UHFFFAOYSA-N 0 1 407.268 3.524 20 5 HHBDMN O=C(NCc1cccc([N+](=O)[O-])c1)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000522237891 1010881788 /nfs/dbraw/zinc/88/17/88/1010881788.db2.gz CLFVLMJSSMHTQG-UHFFFAOYSA-N 0 1 416.909 3.960 20 5 HHBDMN CC(C)(C)c1nc2ccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])cc2[nH]1 ZINC000540695101 1011347166 /nfs/dbraw/zinc/34/71/66/1011347166.db2.gz VAXIKTJXGNJUCB-UHFFFAOYSA-N 0 1 402.476 3.753 20 5 HHBDMN COc1cc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc([N+](=O)[O-])c1OC ZINC000540857519 1011525418 /nfs/dbraw/zinc/52/54/18/1011525418.db2.gz JBQQZXYIKIXGHS-UHFFFAOYSA-N 0 1 419.397 3.803 20 5 HHBDMN COc1cc(CN(CCCO)[C@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000536664677 1011814801 /nfs/dbraw/zinc/81/48/01/1011814801.db2.gz VUSZYGPUKAWXBD-IBGZPJMESA-N 0 1 400.475 3.874 20 5 HHBDMN Cc1[nH]nc(C(=O)N(C)CCCCCc2cc(-c3ccc(F)cc3)n[nH]2)c1[N+](=O)[O-] ZINC000523352899 1011830982 /nfs/dbraw/zinc/83/09/82/1011830982.db2.gz QKDILBCXGMGANX-UHFFFAOYSA-N 0 1 414.441 3.641 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@H]2CCCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000536837387 1012066737 /nfs/dbraw/zinc/06/67/37/1012066737.db2.gz FBDWFXVZUBAWMP-YOEHRIQHSA-N 0 1 401.438 3.979 20 5 HHBDMN C[C@@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1Cl ZINC000536859804 1012094276 /nfs/dbraw/zinc/09/42/76/1012094276.db2.gz WPJAZZJOOAOOKV-LLVKDONJSA-N 0 1 418.302 3.531 20 5 HHBDMN COc1cc(CN2CCC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000552138041 1012157359 /nfs/dbraw/zinc/15/73/59/1012157359.db2.gz ZZUTUTMUUHXDIE-SFHVURJKSA-N 0 1 420.428 3.775 20 5 HHBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000537053779 1012381439 /nfs/dbraw/zinc/38/14/39/1012381439.db2.gz CZUDQTHESUYLHP-GFCCVEGCSA-N 0 1 416.865 3.886 20 5 HHBDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000552395943 1012407665 /nfs/dbraw/zinc/40/76/65/1012407665.db2.gz WSEZRRZFOMDGKB-JTQLQIEISA-N 0 1 407.268 3.947 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)ccc1[N+](=O)[O-] ZINC000523772514 1012411436 /nfs/dbraw/zinc/41/14/36/1012411436.db2.gz MYDSTQUJSAUXLZ-UHFFFAOYSA-N 0 1 412.471 3.904 20 5 HHBDMN CCOc1ccc([C@H](C)NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000537074813 1012417211 /nfs/dbraw/zinc/41/72/11/1012417211.db2.gz WORQILURGVQXJU-GJZGRUSLSA-N 0 1 401.463 3.530 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCNc3ccc4ccccc4n3)cs2)c1 ZINC000552560232 1012571898 /nfs/dbraw/zinc/57/18/98/1012571898.db2.gz OLLYBVZHFZVSLS-UHFFFAOYSA-N 0 1 405.483 4.468 20 5 HHBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000537175840 1012583379 /nfs/dbraw/zinc/58/33/79/1012583379.db2.gz CWCBUPHIKZFZGC-MRXNPFEDSA-N 0 1 412.490 3.883 20 5 HHBDMN Cc1ccc([C@@H](C)NCC(=O)N(C)CCCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000537178875 1012586901 /nfs/dbraw/zinc/58/69/01/1012586901.db2.gz FNVHYUOLXUZIRP-MRXNPFEDSA-N 0 1 403.454 3.620 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)N1CCCC1 ZINC000541780293 1012649114 /nfs/dbraw/zinc/64/91/14/1012649114.db2.gz HKCGNIFNFDAGPI-GOSISDBHSA-N 0 1 402.426 3.701 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C3CC3)n2)c1 ZINC000541801523 1012680671 /nfs/dbraw/zinc/68/06/71/1012680671.db2.gz AGPRRBHQBCSTKT-UHFFFAOYSA-N 0 1 413.459 3.675 20 5 HHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(OCCF)c2)ccc1Br ZINC000760365676 1072294215 /nfs/dbraw/zinc/29/42/15/1072294215.db2.gz NHVXVATVKYEMHZ-UHFFFAOYSA-N 0 1 419.228 3.506 20 5 HHBDMN COc1cc(COC(=O)c2cc(-c3ccco3)n[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000913298684 1072360087 /nfs/dbraw/zinc/36/00/87/1072360087.db2.gz AKQHLHHQKUWPHA-UHFFFAOYSA-N 0 1 409.301 3.545 20 5 HHBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555130344 1073181975 /nfs/dbraw/zinc/18/19/75/1073181975.db2.gz CAIFDWDNSFJIJT-DOTOQJQBSA-N 0 1 409.893 3.825 20 5 HHBDMN COc1ccccc1-c1nc(C2CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)no1 ZINC000555461244 1073508145 /nfs/dbraw/zinc/50/81/45/1073508145.db2.gz WMHQZPGPVYLHNC-UHFFFAOYSA-N 0 1 410.430 3.739 20 5 HHBDMN C[C@@H]1COCCN1C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000590388866 1073808402 /nfs/dbraw/zinc/80/84/02/1073808402.db2.gz PDAQJQCMBDCTLF-QGZVFWFLSA-N 0 1 424.501 3.664 20 5 HHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)[C@H]2C ZINC001164862302 721010248 /nfs/dbraw/zinc/01/02/48/721010248.db2.gz PXBGPJDHOLRASM-INIZCTEOSA-N 0 1 421.505 3.670 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164905996 721584533 /nfs/dbraw/zinc/58/45/33/721584533.db2.gz KVAUEFXTQGITDU-SFHVURJKSA-N 0 1 423.851 3.776 20 5 HHBDMN O=[N+]([O-])c1c(Cl)ccnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906117 721584970 /nfs/dbraw/zinc/58/49/70/721584970.db2.gz LNHHPCOLRCKTPK-SFHVURJKSA-N 0 1 423.851 3.776 20 5 HHBDMN CCN1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3Br)cn2)CC1 ZINC000301355936 970884917 /nfs/dbraw/zinc/88/49/17/970884917.db2.gz KLGHZWUVLHKPOU-UHFFFAOYSA-N 0 1 420.311 3.506 20 5 HHBDMN COc1cc(NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c(F)cc1[N+](=O)[O-] ZINC000301868274 971092475 /nfs/dbraw/zinc/09/24/75/971092475.db2.gz HYAISDDQDLNFLQ-GASCZTMLSA-N 0 1 403.454 3.964 20 5 HHBDMN C[C@H]1CCCN(Cc2ccccc2CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301901093 971107114 /nfs/dbraw/zinc/10/71/14/971107114.db2.gz VHXYOBHJNOZBTH-INIZCTEOSA-N 0 1 417.531 3.842 20 5 HHBDMN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccccc2CN2CCCCC2)s1 ZINC000301930568 971120855 /nfs/dbraw/zinc/12/08/55/971120855.db2.gz OABIHPHTRDOGTC-UHFFFAOYSA-N 0 1 409.533 3.658 20 5 HHBDMN O=C(NC1CC1)c1ccc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000301955595 971132053 /nfs/dbraw/zinc/13/20/53/971132053.db2.gz KRYCLNJDMOXEHC-GOSISDBHSA-N 0 1 418.457 3.614 20 5 HHBDMN O=C(NC1CC1)c1ccc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000301955595 971132056 /nfs/dbraw/zinc/13/20/56/971132056.db2.gz KRYCLNJDMOXEHC-GOSISDBHSA-N 0 1 418.457 3.614 20 5 HHBDMN Cc1cc(N2CCc3c(cccc3N3CCOC3=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302193073 971204269 /nfs/dbraw/zinc/20/42/69/971204269.db2.gz RQOYHXLNMKCCEL-UHFFFAOYSA-N 0 1 404.426 3.971 20 5 HHBDMN Cc1cc(C2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)n[nH]1 ZINC000537547199 1013064762 /nfs/dbraw/zinc/06/47/62/1013064762.db2.gz VRUVOKKAWNUXMI-UHFFFAOYSA-N 0 1 400.482 3.592 20 5 HHBDMN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000302733855 971294905 /nfs/dbraw/zinc/29/49/05/971294905.db2.gz YEGQSDNPLVRDSL-UHFFFAOYSA-N 0 1 410.864 3.588 20 5 HHBDMN CC[NH+](CC)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000302977174 971430939 /nfs/dbraw/zinc/43/09/39/971430939.db2.gz HECWTALPPCGDBJ-KRWDZBQOSA-N 0 1 411.911 3.610 20 5 HHBDMN COc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])[nH]c2c1 ZINC000007096236 961014039 /nfs/dbraw/zinc/01/40/39/961014039.db2.gz UZJFNJGTCDWXCI-SNVBAGLBSA-N 0 1 402.432 3.608 20 5 HHBDMN COc1cc(CN2CCC3(C2)CCOCC3)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000537660088 1013220702 /nfs/dbraw/zinc/22/07/02/1013220702.db2.gz YKEKVFWUWJNJTL-UHFFFAOYSA-N 0 1 404.385 3.547 20 5 HHBDMN COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000010448150 961824271 /nfs/dbraw/zinc/82/42/71/961824271.db2.gz QCFNUKFFBZEPCJ-QGZVFWFLSA-N 0 1 403.504 3.868 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000012834645 962333882 /nfs/dbraw/zinc/33/38/82/962333882.db2.gz QZRQSVSGVPHAGM-JXMROGBWSA-N 0 1 411.443 3.623 20 5 HHBDMN O=C(NC1CC1)[C@@H](NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000015500298 962776356 /nfs/dbraw/zinc/77/63/56/962776356.db2.gz VUWGIOSLGBGXOZ-SFHVURJKSA-N 0 1 422.407 3.635 20 5 HHBDMN COc1ccccc1[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000016241332 962987762 /nfs/dbraw/zinc/98/77/62/962987762.db2.gz HDXICLXCLXHAQQ-SFHVURJKSA-N 0 1 400.504 3.727 20 5 HHBDMN CN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CCCCC1 ZINC000017357113 963194227 /nfs/dbraw/zinc/19/42/27/963194227.db2.gz NDCNFUCDCXHFDU-UHFFFAOYSA-N 0 1 417.487 3.800 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000017355690 963194522 /nfs/dbraw/zinc/19/45/22/963194522.db2.gz PRKYGPCROBPZTA-UHFFFAOYSA-N 0 1 417.487 3.576 20 5 HHBDMN CCOc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000021753704 963531007 /nfs/dbraw/zinc/53/10/07/963531007.db2.gz KXSVIQBCJVPLBQ-UHFFFAOYSA-N 0 1 413.459 3.818 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000542500209 1013444914 /nfs/dbraw/zinc/44/49/14/1013444914.db2.gz SYEBJZIPAKYCOW-CQSZACIVSA-N 0 1 405.882 3.784 20 5 HHBDMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000542529012 1013470459 /nfs/dbraw/zinc/47/04/59/1013470459.db2.gz JZGRPEODUWYLKV-JQWIXIFHSA-N 0 1 413.400 3.648 20 5 HHBDMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000542529013 1013470957 /nfs/dbraw/zinc/47/09/57/1013470957.db2.gz JZGRPEODUWYLKV-PWSUYJOCSA-N 0 1 413.400 3.648 20 5 HHBDMN O=C(CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026219332 964488652 /nfs/dbraw/zinc/48/86/52/964488652.db2.gz WTIBKFFJLHLMKQ-UHFFFAOYSA-N 0 1 422.407 3.764 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](c1ccccc1)c1ccccn1 ZINC000026230759 964495587 /nfs/dbraw/zinc/49/55/87/964495587.db2.gz WIACKUYMDMOPLJ-QFIPXVFZSA-N 0 1 406.442 3.706 20 5 HHBDMN Cc1nc([C@H](C)NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n[nH]1 ZINC000553635025 1013511865 /nfs/dbraw/zinc/51/18/65/1013511865.db2.gz IABLFKCOWVIWPB-JTQLQIEISA-N 0 1 401.810 3.958 20 5 HHBDMN CC[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000028490560 965117387 /nfs/dbraw/zinc/11/73/87/965117387.db2.gz VEDOVIHRXHAMKS-QGZVFWFLSA-N 0 1 417.487 3.800 20 5 HHBDMN CC[C@@H](NCc1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537971770 1013548422 /nfs/dbraw/zinc/54/84/22/1013548422.db2.gz GOGWBVICGWBXNC-HXUWFJFHSA-N 0 1 405.520 3.866 20 5 HHBDMN O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000053995542 965342244 /nfs/dbraw/zinc/34/22/44/965342244.db2.gz CDROLBVCRSZJJA-UHFFFAOYSA-N 0 1 407.361 3.728 20 5 HHBDMN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000054210428 965425951 /nfs/dbraw/zinc/42/59/51/965425951.db2.gz ZIRUCQXWOMZDAF-CQSZACIVSA-N 0 1 419.279 3.603 20 5 HHBDMN C[C@@H](C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000542652042 1013582283 /nfs/dbraw/zinc/58/22/83/1013582283.db2.gz UIXBBIZMAITQTI-ACJLOTCBSA-N 0 1 409.421 3.986 20 5 HHBDMN C[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000542652042 1013582285 /nfs/dbraw/zinc/58/22/85/1013582285.db2.gz UIXBBIZMAITQTI-ACJLOTCBSA-N 0 1 409.421 3.986 20 5 HHBDMN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055651314 965997244 /nfs/dbraw/zinc/99/72/44/965997244.db2.gz FRGXMOXVXMZTLT-UHFFFAOYSA-N 0 1 417.487 3.576 20 5 HHBDMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000060388700 966125690 /nfs/dbraw/zinc/12/56/90/966125690.db2.gz HCQCEDIGWKYLGC-UHFFFAOYSA-N 0 1 409.273 3.906 20 5 HHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000032892222 966344900 /nfs/dbraw/zinc/34/49/00/966344900.db2.gz QAKDWZJVEIOCTJ-MRXNPFEDSA-N 0 1 414.531 3.774 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 ZINC000061229833 966403170 /nfs/dbraw/zinc/40/31/70/966403170.db2.gz ZEDWIHWSBPLTMA-FQEVSTJZSA-N 0 1 416.441 3.943 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)[nH]c2c1 ZINC000061232138 966404199 /nfs/dbraw/zinc/40/41/99/966404199.db2.gz VKLRLKBQQBDGMZ-MRXNPFEDSA-N 0 1 408.414 3.528 20 5 HHBDMN O=C(NCc1cccnc1Oc1cccc(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000043050369 966892779 /nfs/dbraw/zinc/89/27/79/966892779.db2.gz DLOJSRCRPQRSIG-UHFFFAOYSA-N 0 1 407.361 3.728 20 5 HHBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000538126311 1013687781 /nfs/dbraw/zinc/68/77/81/1013687781.db2.gz ZVAAQYPHLPJNSU-INIZCTEOSA-N 0 1 406.442 3.858 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000538130638 1013692673 /nfs/dbraw/zinc/69/26/73/1013692673.db2.gz GLCKBYOOEVYYSH-OAHLLOKOSA-N 0 1 419.503 3.779 20 5 HHBDMN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000064509761 967219326 /nfs/dbraw/zinc/21/93/26/967219326.db2.gz RZOBRZDTBUXWFE-UHFFFAOYSA-N 0 1 415.402 3.787 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000065110894 967381659 /nfs/dbraw/zinc/38/16/59/967381659.db2.gz SOGBBHZYXQVMHR-SFHVURJKSA-N 0 1 414.462 3.890 20 5 HHBDMN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(OCC2CC2)c(F)c1 ZINC000538224164 1013774079 /nfs/dbraw/zinc/77/40/79/1013774079.db2.gz NZVDRQSLXNVCGM-CQSZACIVSA-N 0 1 413.449 3.763 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2NC(=O)NC(C)C)c1C ZINC000047383600 968167822 /nfs/dbraw/zinc/16/78/22/968167822.db2.gz ANLKYAWISNUPJU-UHFFFAOYSA-N 0 1 406.464 3.542 20 5 HHBDMN C[C@@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000538231712 1013780870 /nfs/dbraw/zinc/78/08/70/1013780870.db2.gz VCUUXWFKHUMIMW-CHWSQXEVSA-N 0 1 414.853 3.507 20 5 HHBDMN CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000047465040 968204846 /nfs/dbraw/zinc/20/48/46/968204846.db2.gz XZZJVLMWMSINAO-UHFFFAOYSA-N 0 1 419.503 3.966 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNc3nc4sccn4c3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000047511383 968217454 /nfs/dbraw/zinc/21/74/54/968217454.db2.gz KTAJDOQSVLZODD-OKILXGFUSA-N 0 1 401.492 3.525 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2NC(=O)N2CCCC2)c1C ZINC000047521344 968219797 /nfs/dbraw/zinc/21/97/97/968219797.db2.gz JZPDXXBDTBVFTF-UHFFFAOYSA-N 0 1 418.475 3.640 20 5 HHBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000538240427 1013788845 /nfs/dbraw/zinc/78/88/45/1013788845.db2.gz WTEHWAVWWUKQRQ-UHFFFAOYSA-N 0 1 414.531 3.885 20 5 HHBDMN CCc1[nH]nc(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC000554127873 1013810735 /nfs/dbraw/zinc/81/07/35/1013810735.db2.gz WKZUEFFOPHCXPH-UHFFFAOYSA-N 0 1 410.478 3.755 20 5 HHBDMN CCCCc1nc2ccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cc2[nH]1 ZINC000065904188 968707009 /nfs/dbraw/zinc/70/70/09/968707009.db2.gz BUAOTFSGVKBQLS-UHFFFAOYSA-N 0 1 405.418 3.647 20 5 HHBDMN CCCCc1nc2ccc(NC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)cc2[nH]1 ZINC000065903758 968707096 /nfs/dbraw/zinc/70/70/96/968707096.db2.gz LKOQVVGOVHSYMI-ZDUSSCGKSA-N 0 1 409.446 3.571 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000538284187 1013821086 /nfs/dbraw/zinc/82/10/86/1013821086.db2.gz UGAYEDHLXKCBGS-CYBMUJFWSA-N 0 1 400.815 3.580 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000105111184 969221320 /nfs/dbraw/zinc/22/13/20/969221320.db2.gz DRHKHIPYXGBCFK-UHFFFAOYSA-N 0 1 424.438 3.743 20 5 HHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)ccc1Cl ZINC000109022214 969451477 /nfs/dbraw/zinc/45/14/77/969451477.db2.gz LMCZFHTZBOPHQU-MRXNPFEDSA-N 0 1 422.850 3.777 20 5 HHBDMN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2OC)N2CCCCC2)c1 ZINC000115860392 969857686 /nfs/dbraw/zinc/85/76/86/969857686.db2.gz NVESDJWTUPNHGQ-HXUWFJFHSA-N 0 1 413.474 3.569 20 5 HHBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000116437289 969895020 /nfs/dbraw/zinc/89/50/20/969895020.db2.gz UZQYSTWRIDMCRC-UHFFFAOYSA-N 0 1 415.515 3.860 20 5 HHBDMN CN(C(=O)CNC1(c2ccc(Br)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000116785306 969922641 /nfs/dbraw/zinc/92/26/41/969922641.db2.gz UIAPWNAQSXCFHD-UHFFFAOYSA-N 0 1 404.264 3.599 20 5 HHBDMN O=[N+]([O-])c1ccc(CCNCc2ncc(Br)cc2Br)cc1 ZINC000135297117 969975990 /nfs/dbraw/zinc/97/59/90/969975990.db2.gz AIVSVWDHKMDWNS-UHFFFAOYSA-N 0 1 415.085 3.847 20 5 HHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000139794036 970046807 /nfs/dbraw/zinc/04/68/07/970046807.db2.gz HCJJBUKMFIEKMJ-UHFFFAOYSA-N 0 1 403.870 3.952 20 5 HHBDMN CC(C)N1CC[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O ZINC000236622271 970147294 /nfs/dbraw/zinc/14/72/94/970147294.db2.gz PBXPUMANKLLBNT-OAQYLSRUSA-N 0 1 419.485 3.546 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1CNCC1=Cc2cc(Br)ccc2OC1 ZINC000237192413 970238991 /nfs/dbraw/zinc/23/89/91/970238991.db2.gz BIJJSGKJYCJYPX-UHFFFAOYSA-N 0 1 405.248 3.932 20 5 HHBDMN COc1ccc(CNCc2c(C)nn(C)c2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237206398 970241399 /nfs/dbraw/zinc/24/13/99/970241399.db2.gz PBQQAWPAGDEINJ-UHFFFAOYSA-N 0 1 410.474 3.823 20 5 HHBDMN Cc1ccc(CNCc2cccc(NC(=O)NCc3ccncc3)c2)cc1[N+](=O)[O-] ZINC000237790875 970367912 /nfs/dbraw/zinc/36/79/12/970367912.db2.gz DRTJDWIPVAJPAD-UHFFFAOYSA-N 0 1 405.458 3.910 20 5 HHBDMN O=[N+]([O-])c1ccccc1CNCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000237859294 970383554 /nfs/dbraw/zinc/38/35/54/970383554.db2.gz NBLTUNGFPBTOHC-UHFFFAOYSA-N 0 1 421.476 3.745 20 5 HHBDMN CCN(C[C@H]1CCCN1CC)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000554599228 1013986551 /nfs/dbraw/zinc/98/65/51/1013986551.db2.gz NIDYHRMEWQXLMJ-MRXNPFEDSA-N 0 1 413.468 3.906 20 5 HHBDMN CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000247984258 970495309 /nfs/dbraw/zinc/49/53/09/970495309.db2.gz IOHFFUPGCCZRBX-IEBWSBKVSA-N 0 1 417.531 3.749 20 5 HHBDMN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000251287538 970542975 /nfs/dbraw/zinc/54/29/75/970542975.db2.gz TXFGCZDMGXNKFU-MSOLQXFVSA-N 0 1 417.531 3.655 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cc(Br)c(F)cc1F ZINC000324305888 972721039 /nfs/dbraw/zinc/72/10/39/972721039.db2.gz VJCGDYCKSNWMGO-UHFFFAOYSA-N 0 1 411.155 3.575 20 5 HHBDMN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2ccc(Cl)cc2Br)c1 ZINC000410403904 974003737 /nfs/dbraw/zinc/00/37/37/974003737.db2.gz XUQMPWFBRIRJTE-UHFFFAOYSA-N 0 1 409.620 3.951 20 5 HHBDMN COc1cc(CN(C)CC2(O)CCCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000426199300 974307893 /nfs/dbraw/zinc/30/78/93/974307893.db2.gz BHBUOHNXIQHNDG-UHFFFAOYSA-N 0 1 402.438 3.764 20 5 HHBDMN O=C(N[C@H]1CSc2ccc(Br)cc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000428208151 975532549 /nfs/dbraw/zinc/53/25/49/975532549.db2.gz NBLTVVTZSJTIDG-ZDUSSCGKSA-N 0 1 419.260 3.810 20 5 HHBDMN COC(=O)[C@@]1(c2ccccc2)CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000428792425 976068568 /nfs/dbraw/zinc/06/85/68/976068568.db2.gz WHPDIJNBGZKVAM-QFIPXVFZSA-N 0 1 407.426 3.567 20 5 HHBDMN CC(=O)N1CCC(N(C/C=C/c2ccccc2[N+](=O)[O-])Cc2cncs2)CC1 ZINC000430191265 977382621 /nfs/dbraw/zinc/38/26/21/977382621.db2.gz FUJOUPSLMMZUHO-GQCTYLIASA-N 0 1 400.504 3.578 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000430206853 977391373 /nfs/dbraw/zinc/39/13/73/977391373.db2.gz LPEVSXTXBKBVPZ-UHFFFAOYSA-N 0 1 419.865 3.813 20 5 HHBDMN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@@H](c1ccccc1)C(F)F ZINC000431615186 978386879 /nfs/dbraw/zinc/38/68/79/978386879.db2.gz UQROXFSSQZWAQX-ZDUSSCGKSA-N 0 1 421.219 3.642 20 5 HHBDMN COCCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433194918 979134003 /nfs/dbraw/zinc/13/40/03/979134003.db2.gz OYWRIKDVYNQQRG-ZDUSSCGKSA-N 0 1 406.451 3.549 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc([N+](=O)[O-])cc3Br)c2C)o1 ZINC000434496828 980211788 /nfs/dbraw/zinc/21/17/88/980211788.db2.gz AJRCVHMYAFEDJN-UHFFFAOYSA-N 0 1 405.208 4.210 20 5 HHBDMN COc1cccc(C)c1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000435723738 981003463 /nfs/dbraw/zinc/00/34/63/981003463.db2.gz QILARSYVUOGLTJ-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)COc4ccc([N+](=O)[O-])c(C)c4)C3)[nH]c2c1 ZINC000435765534 981021423 /nfs/dbraw/zinc/02/14/23/981021423.db2.gz WJPNWFAMZKLTRB-INIZCTEOSA-N 0 1 408.458 3.873 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)c1[N+](=O)[O-] ZINC000435972945 981124225 /nfs/dbraw/zinc/12/42/25/981124225.db2.gz DRHACYASNZFTHK-ZDUSSCGKSA-N 0 1 411.231 3.759 20 5 HHBDMN CN(CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)Cc1ccccc1 ZINC000436139882 981216015 /nfs/dbraw/zinc/21/60/15/981216015.db2.gz GJHMBLKPLQXEPL-UHFFFAOYSA-N 0 1 421.447 3.821 20 5 HHBDMN COC[C@@H](C)n1c(=O)c2ccccc2nc1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436474811 981392455 /nfs/dbraw/zinc/39/24/55/981392455.db2.gz MYFWZIWSHKKHMI-GFCCVEGCSA-N 0 1 401.444 3.510 20 5 HHBDMN COCCn1c(=O)c2ccc(Cl)cc2nc1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436473098 981392605 /nfs/dbraw/zinc/39/26/05/981392605.db2.gz FHQQCEOEJKWHCX-UHFFFAOYSA-N 0 1 421.862 3.602 20 5 HHBDMN C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436961985 981650346 /nfs/dbraw/zinc/65/03/46/981650346.db2.gz WAFANCUGXYYTDZ-XIKOKIGWSA-N 0 1 407.829 3.516 20 5 HHBDMN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000436985879 981668654 /nfs/dbraw/zinc/66/86/54/981668654.db2.gz DIXPJPJTQZPNJG-APWZRJJASA-N 0 1 405.401 3.532 20 5 HHBDMN CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000436985879 981668657 /nfs/dbraw/zinc/66/86/57/981668657.db2.gz DIXPJPJTQZPNJG-APWZRJJASA-N 0 1 405.401 3.532 20 5 HHBDMN COc1ccc(CN2CC[C@H](O)C(C)(C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438346025 982735694 /nfs/dbraw/zinc/73/56/94/982735694.db2.gz KEFPWJCQFWFSAH-NRFANRHFSA-N 0 1 400.475 3.775 20 5 HHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000461041238 982742170 /nfs/dbraw/zinc/74/21/70/982742170.db2.gz GGERUEOHVLOZDZ-KRWDZBQOSA-N 0 1 407.392 3.547 20 5 HHBDMN C[C@H](N(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1(C)CC1 ZINC000439030802 983220040 /nfs/dbraw/zinc/22/00/40/983220040.db2.gz WMCVXUCKBBQLOX-AWEZNQCLSA-N 0 1 417.487 3.656 20 5 HHBDMN NC(=O)c1ccc(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c([N+](=O)[O-])c1 ZINC000441085495 984061232 /nfs/dbraw/zinc/06/12/32/984061232.db2.gz LXDNLLSGZULZLX-LBPRGKRZSA-N 0 1 414.409 3.549 20 5 HHBDMN COc1ccc(OC)c([C@H]2CCCN2CCOc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000441194624 984109271 /nfs/dbraw/zinc/10/92/71/984109271.db2.gz ZIIRRMWNNGSOKN-GOSISDBHSA-N 0 1 402.447 3.837 20 5 HHBDMN COc1ccc(OCCN(C)Cc2csc(Br)c2)c([N+](=O)[O-])c1 ZINC000441240048 984133145 /nfs/dbraw/zinc/13/31/45/984133145.db2.gz XCPROXBTENGNCS-UHFFFAOYSA-N 0 1 401.282 3.938 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc2ccccc2n1 ZINC000462126686 985096864 /nfs/dbraw/zinc/09/68/64/985096864.db2.gz GARMIXWAQJIIOP-UHFFFAOYSA-N 0 1 412.254 3.928 20 5 HHBDMN C[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1ccccc1 ZINC000462126802 985097133 /nfs/dbraw/zinc/09/71/33/985097133.db2.gz GPJXPPNWWOACKW-SNVBAGLBSA-N 0 1 405.259 3.647 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1cc2ccccc2[nH]1 ZINC000462264342 985252924 /nfs/dbraw/zinc/25/29/24/985252924.db2.gz XCFMSAUDTNUJSR-UHFFFAOYSA-N 0 1 400.243 3.861 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1CCOc2ccccc21 ZINC000462284246 985272935 /nfs/dbraw/zinc/27/29/35/985272935.db2.gz SZOXFAZPFVVGQA-SNVBAGLBSA-N 0 1 417.270 3.746 20 5 HHBDMN C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)cc(Cl)c2O1 ZINC000462370502 985355889 /nfs/dbraw/zinc/35/58/89/985355889.db2.gz QSDDXNVCWUETTI-JTQLQIEISA-N 0 1 419.846 3.921 20 5 HHBDMN CCOc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1OCC ZINC000462371040 985356139 /nfs/dbraw/zinc/35/61/39/985356139.db2.gz FABRSRXXZIGHFT-UHFFFAOYSA-N 0 1 417.443 3.741 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC1(c2ccccc2)CC1 ZINC000462451062 985415284 /nfs/dbraw/zinc/41/52/84/985415284.db2.gz GTGRPCPLJISAPX-UHFFFAOYSA-N 0 1 401.271 3.912 20 5 HHBDMN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)nc1OCc1ccccc1 ZINC000462489407 985443368 /nfs/dbraw/zinc/44/33/68/985443368.db2.gz KBGDBZSICHFWHS-KRWDZBQOSA-N 0 1 420.473 3.948 20 5 HHBDMN O=[N+]([O-])c1ccc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)nc1OCc1ccccc1 ZINC000462489407 985443372 /nfs/dbraw/zinc/44/33/72/985443372.db2.gz KBGDBZSICHFWHS-KRWDZBQOSA-N 0 1 420.473 3.948 20 5 HHBDMN C[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1ccccc1F ZINC000462704539 985648302 /nfs/dbraw/zinc/64/83/02/985648302.db2.gz PCDSGQQCDBRKLT-SECBINFHSA-N 0 1 423.249 3.787 20 5 HHBDMN CNc1c(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000462901093 985829569 /nfs/dbraw/zinc/82/95/69/985829569.db2.gz BGXUGCBXKPYACK-UHFFFAOYSA-N 0 1 402.882 3.684 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc2c(n1)CCCC2 ZINC000443941657 986150225 /nfs/dbraw/zinc/15/02/25/986150225.db2.gz INDKVTRFQJHMSF-UHFFFAOYSA-N 0 1 416.286 3.654 20 5 HHBDMN CN(C)Cc1cc(CNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)ccc1F ZINC000444026537 986220624 /nfs/dbraw/zinc/22/06/24/986220624.db2.gz YPHHCOTUAYTKRQ-UHFFFAOYSA-N 0 1 421.447 3.951 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(C[NH+]2CCSCC2)c1C ZINC000444032267 986227807 /nfs/dbraw/zinc/22/78/07/986227807.db2.gz OWEQSUZWRWDXQC-UHFFFAOYSA-N 0 1 421.544 3.561 20 5 HHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCCC2CCOCC2)CC1 ZINC000463296405 986263908 /nfs/dbraw/zinc/26/39/08/986263908.db2.gz UAGYVFMJJPTUOY-UHFFFAOYSA-N 0 1 401.429 3.942 20 5 HHBDMN CCc1[nH]nc(C(=O)N(CC)[C@H](c2cccnc2)c2ccc(F)c(C)c2)c1[N+](=O)[O-] ZINC000444177547 986355213 /nfs/dbraw/zinc/35/52/13/986355213.db2.gz XMNVYEZBKORWKQ-IBGZPJMESA-N 0 1 411.437 3.975 20 5 HHBDMN CC(C)CCSc1ccc(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000444382473 986557506 /nfs/dbraw/zinc/55/75/06/986557506.db2.gz GELGWTMJJWZVPN-INIZCTEOSA-N 0 1 423.579 3.650 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cccc(COCc3ccco3)c2)ccc1[N+](=O)[O-] ZINC000468908863 986615375 /nfs/dbraw/zinc/61/53/75/986615375.db2.gz KGNCJXDQYXDUCO-UHFFFAOYSA-N 0 1 418.427 3.714 20 5 HHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cccc21 ZINC000469132165 986851802 /nfs/dbraw/zinc/85/18/02/986851802.db2.gz STGQJUZFMSNKDV-OAHLLOKOSA-N 0 1 407.373 3.834 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)cc1SC ZINC000469341702 987048461 /nfs/dbraw/zinc/04/84/61/987048461.db2.gz LUKDJNMIBNHCBS-OAHLLOKOSA-N 0 1 417.487 3.963 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469495696 987175081 /nfs/dbraw/zinc/17/50/81/987175081.db2.gz KFFIAYQOHHKRPW-INIZCTEOSA-N 0 1 411.380 3.655 20 5 HHBDMN C[C@H]1CN(Cc2ccc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)cc2)C[C@H](C)O1 ZINC000445476668 987540788 /nfs/dbraw/zinc/54/07/88/987540788.db2.gz GSJZKXFQLOGTDK-STQMWFEESA-N 0 1 400.460 3.983 20 5 HHBDMN C[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000470146707 988053829 /nfs/dbraw/zinc/05/38/29/988053829.db2.gz LCOXJXZSQOLDBZ-CYBMUJFWSA-N 0 1 419.432 3.508 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000464418540 988590055 /nfs/dbraw/zinc/59/00/55/988590055.db2.gz SANQFFKBMADMHX-UHFFFAOYSA-N 0 1 402.881 3.917 20 5 HHBDMN CC[C@H](CN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC000470722138 988748005 /nfs/dbraw/zinc/74/80/05/988748005.db2.gz HLXKPQQEUYGNBF-SNVBAGLBSA-N 0 1 401.250 3.863 20 5 HHBDMN CCOc1ccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000464578920 988756461 /nfs/dbraw/zinc/75/64/61/988756461.db2.gz XTGUPWSAUVDWRM-UHFFFAOYSA-N 0 1 405.208 3.885 20 5 HHBDMN O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCN2CCC1CC2 ZINC000470845574 988923634 /nfs/dbraw/zinc/92/36/34/988923634.db2.gz UVCUTEDMSTUCRY-UHFFFAOYSA-N 0 1 414.893 3.781 20 5 HHBDMN Cc1ccc2nc(CNC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000465190019 989527205 /nfs/dbraw/zinc/52/72/05/989527205.db2.gz ZJNGIUHTBIXLCK-UHFFFAOYSA-N 0 1 421.379 3.917 20 5 HHBDMN Cc1cn([C@@H](C)c2ccccc2)nc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000471582755 989786795 /nfs/dbraw/zinc/78/67/95/989786795.db2.gz YTGZBQWVVASKGV-INIZCTEOSA-N 0 1 414.487 3.693 20 5 HHBDMN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000472042493 990212727 /nfs/dbraw/zinc/21/27/27/990212727.db2.gz KULFQIOXEYOHSQ-NRFANRHFSA-N 0 1 414.506 3.659 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000467077528 992383130 /nfs/dbraw/zinc/38/31/30/992383130.db2.gz CCCGHRVDJNEBHA-UHFFFAOYSA-N 0 1 406.460 3.588 20 5 HHBDMN Cc1sc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467081690 992387956 /nfs/dbraw/zinc/38/79/56/992387956.db2.gz NDMXVAJCLMNXBL-PBHICJAKSA-N 0 1 423.560 3.638 20 5 HHBDMN C[C@H](NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467840954 993072773 /nfs/dbraw/zinc/07/27/73/993072773.db2.gz SSFOYALDHOSFAO-SJORKVTESA-N 0 1 417.531 3.866 20 5 HHBDMN C[C@H](NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467840952 993072931 /nfs/dbraw/zinc/07/29/31/993072931.db2.gz SSFOYALDHOSFAO-IRXDYDNUSA-N 0 1 417.531 3.866 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1nc(C2CC2)cs1 ZINC000480827928 993703565 /nfs/dbraw/zinc/70/35/65/993703565.db2.gz YKQUOLUTYDYPRR-UHFFFAOYSA-N 0 1 408.288 3.714 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000480841843 993716449 /nfs/dbraw/zinc/71/64/49/993716449.db2.gz MMWPHVNRQSJJPD-ZDUSSCGKSA-N 0 1 417.270 3.963 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481384373 994215813 /nfs/dbraw/zinc/21/58/13/994215813.db2.gz UXSYMOIWAKMBHV-HXPMCKFVSA-N 0 1 407.854 3.561 20 5 HHBDMN CCOc1ccc(NC(=O)CN[C@@H](C)[C@@H](OC)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000481526166 994357667 /nfs/dbraw/zinc/35/76/67/994357667.db2.gz FJFLIYAYVYBCDC-RNODOKPDSA-N 0 1 421.881 3.951 20 5 HHBDMN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2s1 ZINC000481812900 994662844 /nfs/dbraw/zinc/66/28/44/994662844.db2.gz FYUORPRZDGXVGY-UHFFFAOYSA-N 0 1 406.441 3.787 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)ccc1Br ZINC000473768348 994686959 /nfs/dbraw/zinc/68/69/59/994686959.db2.gz XDZULJDZGXKARH-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN COc1cccc([C@H]2[C@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CCN2C2CC2)c1 ZINC000482049136 994972573 /nfs/dbraw/zinc/97/25/73/994972573.db2.gz MZWGKOBGCXDTHS-YADHBBJMSA-N 0 1 423.513 3.975 20 5 HHBDMN COc1c(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000474207890 995203150 /nfs/dbraw/zinc/20/31/50/995203150.db2.gz UCAKXSYGYOWEGE-QGZVFWFLSA-N 0 1 403.504 3.868 20 5 HHBDMN COC(=O)COc1ccc(CN[C@@H]2CC(C)(C)Cc3oc(C)cc32)cc1[N+](=O)[O-] ZINC000474355363 995335440 /nfs/dbraw/zinc/33/54/40/995335440.db2.gz ONUWMQBEOWFFCA-MRXNPFEDSA-N 0 1 402.447 3.851 20 5 HHBDMN Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(F)cc(Cl)c2O)ccc1[N+](=O)[O-] 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O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000497063840 1001263578 /nfs/dbraw/zinc/26/35/78/1001263578.db2.gz FQJPCOBLLSYYCM-LJQANCHMSA-N 0 1 416.441 3.698 20 5 HHBDMN CN(C)C(=O)[C@@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506248780 1001305902 /nfs/dbraw/zinc/30/59/02/1001305902.db2.gz YJNPOSKDXBRJNN-NRFANRHFSA-N 0 1 419.485 3.500 20 5 HHBDMN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000506705272 1001499041 /nfs/dbraw/zinc/49/90/41/1001499041.db2.gz BJQXQPUSZMQVHN-HYXAFXHYSA-N 0 1 409.442 3.687 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)CCc3cccc(Cl)c3)n[nH]2)c1 ZINC000506807631 1001541105 /nfs/dbraw/zinc/54/11/05/1001541105.db2.gz UIJUHPWWEXCGDO-UHFFFAOYSA-N 0 1 406.851 3.623 20 5 HHBDMN C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000497868892 1001543410 /nfs/dbraw/zinc/54/34/10/1001543410.db2.gz QEHJQUUZZIXZGZ-ZDUSSCGKSA-N 0 1 420.872 3.630 20 5 HHBDMN CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000497985723 1001592018 /nfs/dbraw/zinc/59/20/18/1001592018.db2.gz WPKLWDQZSZWOFP-PKOBYXMFSA-N 0 1 417.531 3.749 20 5 HHBDMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000507024095 1001769402 /nfs/dbraw/zinc/76/94/02/1001769402.db2.gz ZZDAEEPDLXLOTH-UHFFFAOYSA-N 0 1 408.286 3.954 20 5 HHBDMN CC(C)N1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000507354592 1002017855 /nfs/dbraw/zinc/01/78/55/1002017855.db2.gz BGUQBHNZTXWMKR-RTBURBONSA-N 0 1 405.401 3.532 20 5 HHBDMN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000507955531 1002488910 /nfs/dbraw/zinc/48/89/10/1002488910.db2.gz ZCQKOGVDMAXGFO-UHFFFAOYSA-N 0 1 408.476 3.848 20 5 HHBDMN Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000509538911 1003932429 /nfs/dbraw/zinc/93/24/29/1003932429.db2.gz MPNAKHDOVZCROK-UHFFFAOYSA-N 0 1 416.484 3.954 20 5 HHBDMN COc1cc2c(cc1OC)CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000512036133 1003971909 /nfs/dbraw/zinc/97/19/09/1003971909.db2.gz DTYZXYKNZLZKDH-UHFFFAOYSA-N 0 1 408.401 3.814 20 5 HHBDMN CC1CCN(c2ccc(C(=O)Nc3cccc(-c4nnc[nH]4)c3)cc2[N+](=O)[O-])CC1 ZINC000509791391 1004099033 /nfs/dbraw/zinc/09/90/33/1004099033.db2.gz OPEFRLMHXIMQPK-UHFFFAOYSA-N 0 1 406.446 3.869 20 5 HHBDMN CN(Cc1ccccc1)C1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000512403401 1004274320 /nfs/dbraw/zinc/27/43/20/1004274320.db2.gz LCAIMARTYMKFOZ-UHFFFAOYSA-N 0 1 408.483 3.675 20 5 HHBDMN C[C@@H](O)C[C@@H]1CCCCCN1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000512443647 1004305682 /nfs/dbraw/zinc/30/56/82/1004305682.db2.gz FOBJPMIASWRBOJ-ZBFHGGJFSA-N 0 1 418.519 3.672 20 5 HHBDMN COc1cccc([C@H]2[C@@H](NCc3c(F)cc([N+](=O)[O-])cc3F)CCN2C2CC2)c1 ZINC000510642120 1004773593 /nfs/dbraw/zinc/77/35/93/1004773593.db2.gz YTWYOXYHBMJEDK-SFTDATJTSA-N 0 1 403.429 3.949 20 5 HHBDMN COC(=O)C[C@](C)(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000513157717 1004836927 /nfs/dbraw/zinc/83/69/27/1004836927.db2.gz DFCKJMDIAQNFDK-SFHVURJKSA-N 0 1 407.264 3.925 20 5 HHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000502137762 1004918059 /nfs/dbraw/zinc/91/80/59/1004918059.db2.gz BPRFHDXHLFNYPA-LLVKDONJSA-N 0 1 409.377 3.771 20 5 HHBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000511012472 1004979511 /nfs/dbraw/zinc/97/95/11/1004979511.db2.gz GMDMAAJHIWKOIB-MRVPVSSYSA-N 0 1 415.258 3.817 20 5 HHBDMN O=C(NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000511187718 1005065778 /nfs/dbraw/zinc/06/57/78/1005065778.db2.gz JPQUWECKFCGFPL-UHFFFAOYSA-N 0 1 422.832 3.554 20 5 HHBDMN C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000513660706 1005070773 /nfs/dbraw/zinc/07/07/73/1005070773.db2.gz JYGGBBSTUKQVSO-NQSCKRDGSA-N 0 1 405.502 3.670 20 5 HHBDMN Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 ZINC000513787762 1005127241 /nfs/dbraw/zinc/12/72/41/1005127241.db2.gz FAXLVQDOQWZOGN-UHFFFAOYSA-N 0 1 406.645 3.515 20 5 HHBDMN COc1ccc(CN(CC2CCC2)C(=O)c2cc(O)cc([N+](=O)[O-])c2)c(OC)c1 ZINC000513911076 1005183933 /nfs/dbraw/zinc/18/39/33/1005183933.db2.gz KIAIFPZMZKIBJS-UHFFFAOYSA-N 0 1 400.431 3.760 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)n2)o1 ZINC000511612609 1005244272 /nfs/dbraw/zinc/24/42/72/1005244272.db2.gz NDPBMLGDBQRPHB-UHFFFAOYSA-N 0 1 406.196 3.605 20 5 HHBDMN CCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502933936 1005281347 /nfs/dbraw/zinc/28/13/47/1005281347.db2.gz DOYRCCJSFXFYNP-KRWDZBQOSA-N 0 1 412.490 3.971 20 5 HHBDMN Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(OC[C@@H]2CCCO2)c1 ZINC000511737464 1005299703 /nfs/dbraw/zinc/29/97/03/1005299703.db2.gz KWHUHHANNXEQHD-HNNXBMFYSA-N 0 1 406.460 3.570 20 5 HHBDMN O=C(CN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000511778317 1005322333 /nfs/dbraw/zinc/32/23/33/1005322333.db2.gz ZIHKJYOMCLRIFG-LMMKCTJWSA-N 0 1 415.877 3.691 20 5 HHBDMN CCOC(=O)[C@H](C)[C@@H](C)N[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000514248514 1005332558 /nfs/dbraw/zinc/33/25/58/1005332558.db2.gz RKHFDXQUQXMICB-QINHECLXSA-N 0 1 413.474 3.760 20 5 HHBDMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000514572981 1006042296 /nfs/dbraw/zinc/04/22/96/1006042296.db2.gz CXUVVUVAVMIVFP-HNNXBMFYSA-N 0 1 423.391 3.540 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])[nH]c2c1 ZINC000514641721 1006068577 /nfs/dbraw/zinc/06/85/77/1006068577.db2.gz XXOKPOZIAWMBAH-KRWDZBQOSA-N 0 1 400.460 3.525 20 5 HHBDMN Nc1c(C(=O)Nc2cc(Br)cc(Cl)c2O)cc(F)cc1[N+](=O)[O-] ZINC000534206312 1006199794 /nfs/dbraw/zinc/19/97/94/1006199794.db2.gz BPFXGVRXOIPFMI-UHFFFAOYSA-N 0 1 404.579 3.690 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN([C@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000534215796 1006211145 /nfs/dbraw/zinc/21/11/45/1006211145.db2.gz RGGQGCTWLMITGC-CVEARBPZSA-N 0 1 407.474 3.986 20 5 HHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000534260268 1006270278 /nfs/dbraw/zinc/27/02/78/1006270278.db2.gz ARGUMKPEJYEVRD-UHFFFAOYSA-N 0 1 402.470 3.916 20 5 HHBDMN C[C@H](C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000515493606 1006499139 /nfs/dbraw/zinc/49/91/39/1006499139.db2.gz SDYKJFSDFIMTFI-KSZLIROESA-N 0 1 411.502 3.624 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]3c3n[nH]c(-c4ccccc4)n3)n2)cc1 ZINC000534580227 1006568118 /nfs/dbraw/zinc/56/81/18/1006568118.db2.gz XWYILAHTVFWHGS-KRWDZBQOSA-N 0 1 417.429 3.767 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]3c3nc(-c4ccccc4)n[nH]3)n2)cc1 ZINC000534580227 1006568129 /nfs/dbraw/zinc/56/81/29/1006568129.db2.gz XWYILAHTVFWHGS-KRWDZBQOSA-N 0 1 417.429 3.767 20 5 HHBDMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000532192084 1006709271 /nfs/dbraw/zinc/70/92/71/1006709271.db2.gz ZPZBWDPQDARARH-GOSISDBHSA-N 0 1 419.397 3.829 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000515887649 1006739470 /nfs/dbraw/zinc/73/94/70/1006739470.db2.gz QICDMDYSWDTSJR-UHFFFAOYSA-N 0 1 400.357 3.655 20 5 HHBDMN CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534847195 1006866863 /nfs/dbraw/zinc/86/68/63/1006866863.db2.gz FNTWGVJMVQNWIL-RDJZCZTQSA-N 0 1 400.479 3.767 20 5 HHBDMN O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000516316720 1007011213 /nfs/dbraw/zinc/01/12/13/1007011213.db2.gz FIDOWSAMRLBDTG-IBGZPJMESA-N 0 1 417.893 3.970 20 5 HHBDMN CCS(=O)(=O)N(C)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000538731004 1007012101 /nfs/dbraw/zinc/01/21/01/1007012101.db2.gz NEFZDOSQKABSOT-UHFFFAOYSA-N 0 1 423.560 3.569 20 5 HHBDMN CN1CC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000534972040 1007029056 /nfs/dbraw/zinc/02/90/56/1007029056.db2.gz QJEHQWAJXNELSM-SCLBCKFNSA-N 0 1 406.845 3.591 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(Br)c1C ZINC000538753301 1007039462 /nfs/dbraw/zinc/03/94/62/1007039462.db2.gz FMANZBJOHLYSHV-UHFFFAOYSA-N 0 1 415.265 3.613 20 5 HHBDMN O=C(C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1)N(Cc1ccccc1)C1CC1 ZINC000532732816 1007143383 /nfs/dbraw/zinc/14/33/83/1007143383.db2.gz SDBZMANOXHOOGO-UHFFFAOYSA-N 0 1 423.513 3.877 20 5 HHBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000538983287 1007277999 /nfs/dbraw/zinc/27/79/99/1007277999.db2.gz PQIQERJJHZZKPC-UHFFFAOYSA-N 0 1 416.388 3.763 20 5 HHBDMN Cc1c([C@@H](C)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000539021164 1007318150 /nfs/dbraw/zinc/31/81/50/1007318150.db2.gz UQCZAWCRPVFECR-MRXNPFEDSA-N 0 1 403.504 3.539 20 5 HHBDMN Cc1ccc([C@@H]2CSCCN2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 ZINC000532979361 1007350590 /nfs/dbraw/zinc/35/05/90/1007350590.db2.gz DKRNJSLFGBQXRS-IBGZPJMESA-N 0 1 413.499 3.991 20 5 HHBDMN CCC[C@H](N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000539086502 1007375893 /nfs/dbraw/zinc/37/58/93/1007375893.db2.gz JGRFTSKKMZFHLC-SFTDATJTSA-N 0 1 413.474 3.848 20 5 HHBDMN CC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000539251226 1007543002 /nfs/dbraw/zinc/54/30/02/1007543002.db2.gz LNNUCGMUJTZANQ-AWEZNQCLSA-N 0 1 409.389 3.884 20 5 HHBDMN C[C@H](NCC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000539279995 1007576268 /nfs/dbraw/zinc/57/62/68/1007576268.db2.gz NMUCQIDYCGMZAR-JTQLQIEISA-N 0 1 407.352 3.779 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2ccc(Br)cc2)CC1 ZINC000539279755 1007576351 /nfs/dbraw/zinc/57/63/51/1007576351.db2.gz AFRWZLMWMVFVLV-UHFFFAOYSA-N 0 1 404.264 3.883 20 5 HHBDMN COc1cc(C)c([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000539288170 1007584401 /nfs/dbraw/zinc/58/44/01/1007584401.db2.gz CNLNERBLZUFJCM-LBPRGKRZSA-N 0 1 407.854 3.863 20 5 HHBDMN CN1CC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535672628 1007692912 /nfs/dbraw/zinc/69/29/12/1007692912.db2.gz WXCXRUNTYKTWOY-YWZLYKJASA-N 0 1 405.857 3.739 20 5 HHBDMN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000533418522 1007727150 /nfs/dbraw/zinc/72/71/50/1007727150.db2.gz HNEBZVWJDVKRFF-HNNXBMFYSA-N 0 1 401.463 3.504 20 5 HHBDMN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCN(Cc2cccc3ccccc32)CC1 ZINC000517882152 1008027085 /nfs/dbraw/zinc/02/70/85/1008027085.db2.gz KVYYEHSUAIBHLE-UHFFFAOYSA-N 0 1 419.481 3.861 20 5 HHBDMN Cc1c(NC(=O)CCN2CCN([C@@H](C)c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000539882860 1008160303 /nfs/dbraw/zinc/16/03/03/1008160303.db2.gz DSLGFLGUMKJIEM-KRWDZBQOSA-N 0 1 414.481 3.750 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000533931625 1008214405 /nfs/dbraw/zinc/21/44/05/1008214405.db2.gz RNBNDGTZKSRNOZ-UHFFFAOYSA-N 0 1 415.277 3.773 20 5 HHBDMN CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000540117885 1008296798 /nfs/dbraw/zinc/29/67/98/1008296798.db2.gz USAILYFZNVUNJB-RHSMWYFYSA-N 0 1 417.487 3.799 20 5 HHBDMN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000540326787 1008381135 /nfs/dbraw/zinc/38/11/35/1008381135.db2.gz RZGIHGKXAOVLRO-HNNXBMFYSA-N 0 1 406.442 3.519 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)c(Cl)c1 ZINC000518704442 1008398373 /nfs/dbraw/zinc/39/83/73/1008398373.db2.gz MNUQSMKZDYWYOG-UHFFFAOYSA-N 0 1 413.242 3.888 20 5 HHBDMN COc1cccc2sc(NC(=O)CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)nc21 ZINC000540476301 1008447022 /nfs/dbraw/zinc/44/70/22/1008447022.db2.gz CVTKBULTCCHPMB-GFCCVEGCSA-N 0 1 400.460 3.811 20 5 HHBDMN Cc1cc(NC2CCN(C(=O)CCc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543030658 1008614225 /nfs/dbraw/zinc/61/42/25/1008614225.db2.gz WJBHGHFHSRFDLJ-UHFFFAOYSA-N 0 1 418.497 3.909 20 5 HHBDMN CCc1ccc([C@H](NC[C@H]2CCC3(CCOCC3)[C@H]2O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000549229548 1008799816 /nfs/dbraw/zinc/79/98/16/1008799816.db2.gz XZMQVDUEQSBYAQ-YHYVQYDKSA-N 0 1 414.502 3.997 20 5 HHBDMN CC(C)(CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000545862105 1008949322 /nfs/dbraw/zinc/94/93/22/1008949322.db2.gz XTADFGGEDNXTBV-UHFFFAOYSA-N 0 1 413.493 3.965 20 5 HHBDMN Cc1nn(-c2ccccn2)c(C)c1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000549401716 1008987877 /nfs/dbraw/zinc/98/78/77/1008987877.db2.gz WGSJGFVBLIWGKE-UHFFFAOYSA-N 0 1 407.474 3.836 20 5 HHBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccccc2-c2cn[nH]c2)c1 ZINC000543398836 1008990784 /nfs/dbraw/zinc/99/07/84/1008990784.db2.gz PUPNZXUBNGVUFP-UHFFFAOYSA-N 0 1 423.248 3.548 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCCCOc1ccc(Cl)cc1 ZINC000519890400 1009056245 /nfs/dbraw/zinc/05/62/45/1009056245.db2.gz XLVXLXLGDKAMTG-UHFFFAOYSA-N 0 1 402.831 3.525 20 5 HHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000519890800 1009056645 /nfs/dbraw/zinc/05/66/45/1009056645.db2.gz QHAPYTWVLTWIKB-OAHLLOKOSA-N 0 1 421.494 3.587 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)[nH]c2c1 ZINC000519930784 1009086286 /nfs/dbraw/zinc/08/62/86/1009086286.db2.gz KVASBYXYGKULNH-MRXNPFEDSA-N 0 1 420.878 3.959 20 5 HHBDMN CCOC(=O)c1cc(S(=O)(=O)Nc2ccccc2CSC)cc([N+](=O)[O-])c1C ZINC000546073601 1009096247 /nfs/dbraw/zinc/09/62/47/1009096247.db2.gz WLFZKXZDTRNAFE-UHFFFAOYSA-N 0 1 424.500 3.744 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543560578 1009167711 /nfs/dbraw/zinc/16/77/11/1009167711.db2.gz IWSMONSGTWWLGM-FXAWDEMLSA-N 0 1 401.438 3.833 20 5 HHBDMN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c(C)c1 ZINC000543657849 1009265660 /nfs/dbraw/zinc/26/56/60/1009265660.db2.gz LSAJLKYNJWQCSB-CQSZACIVSA-N 0 1 419.503 3.849 20 5 HHBDMN COc1c(C)cnc(CN2CCC(N(C)c3nc(C)cc(C)c3[N+](=O)[O-])CC2)c1C ZINC000543792675 1009360356 /nfs/dbraw/zinc/36/03/56/1009360356.db2.gz TWTVNYTYTKVDIE-UHFFFAOYSA-N 0 1 413.522 3.728 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000543824303 1009384997 /nfs/dbraw/zinc/38/49/97/1009384997.db2.gz ZHJSXARBYWLGDJ-OAHLLOKOSA-N 0 1 413.808 3.882 20 5 HHBDMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000520340545 1009476584 /nfs/dbraw/zinc/47/65/84/1009476584.db2.gz NPORINHGRMXSGU-INIZCTEOSA-N 0 1 423.429 3.575 20 5 HHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000546527082 1009548989 /nfs/dbraw/zinc/54/89/89/1009548989.db2.gz PLERRSNEQKGSJY-UHFFFAOYSA-N 0 1 414.481 3.710 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000520770006 1009840076 /nfs/dbraw/zinc/84/00/76/1009840076.db2.gz VNQNPFWKLRVXPC-UHFFFAOYSA-N 0 1 400.840 3.629 20 5 HHBDMN NC(=O)c1ccc(CN2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000550455343 1009953781 /nfs/dbraw/zinc/95/37/81/1009953781.db2.gz IWEPFJJSVHYSKY-UHFFFAOYSA-N 0 1 423.391 3.972 20 5 HHBDMN CCc1ccc([C@@H](NC[C@@H](C(C)C)N2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544367892 1009995864 /nfs/dbraw/zinc/99/58/64/1009995864.db2.gz JRFYYGRBFKAQBC-UNMCSNQZSA-N 0 1 401.507 3.786 20 5 HHBDMN CCN1CCN(c2ccc(-c3noc(-c4ccc(Cl)cc4[N+](=O)[O-])n3)cn2)CC1 ZINC000547098712 1010048723 /nfs/dbraw/zinc/04/87/23/1010048723.db2.gz SLMHEAVEVLGQCR-UHFFFAOYSA-N 0 1 414.853 3.502 20 5 HHBDMN CCOc1cccc2cc([C@H](C)NCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)oc21 ZINC000544484586 1010108265 /nfs/dbraw/zinc/10/82/65/1010108265.db2.gz OBQVYZXRGIBDBD-AWEZNQCLSA-N 0 1 409.442 3.980 20 5 HHBDMN C[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000521096959 1010115697 /nfs/dbraw/zinc/11/56/97/1010115697.db2.gz TVEXAYRCPLOROV-OAHLLOKOSA-N 0 1 417.487 3.658 20 5 HHBDMN COc1ccc([C@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)N2CCCC2)cc1 ZINC000544532586 1010161459 /nfs/dbraw/zinc/16/14/59/1010161459.db2.gz LCVFZYVPBZHUNU-BTYIYWSLSA-N 0 1 415.465 3.799 20 5 HHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2cccnc21 ZINC000547317940 1010252039 /nfs/dbraw/zinc/25/20/39/1010252039.db2.gz LLDIUYBZYKHEDC-UHFFFAOYSA-N 0 1 413.333 3.842 20 5 HHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000521385895 1010349140 /nfs/dbraw/zinc/34/91/40/1010349140.db2.gz JEBMYBFOGZCJSA-GJZGRUSLSA-N 0 1 405.882 3.825 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000521389950 1010351708 /nfs/dbraw/zinc/35/17/08/1010351708.db2.gz FGZDURDHOPDKNF-UHFFFAOYSA-N 0 1 402.208 3.703 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000521414373 1010361925 /nfs/dbraw/zinc/36/19/25/1010361925.db2.gz HDCSNVAGALCICI-UHFFFAOYSA-N 0 1 413.455 3.932 20 5 HHBDMN CC[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCN1Cc1ccccc1 ZINC000544767543 1010366203 /nfs/dbraw/zinc/36/62/03/1010366203.db2.gz SWBOIRDHLMGWLZ-KRWDZBQOSA-N 0 1 420.469 3.585 20 5 HHBDMN C[C@@H](c1nc(-c2ccccc2N2CCN(C)CC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000544965017 1010524411 /nfs/dbraw/zinc/52/44/11/1010524411.db2.gz PLZNNCZQTXDOFD-CQSZACIVSA-N 0 1 411.437 3.688 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC000522016513 1010757654 /nfs/dbraw/zinc/75/76/54/1010757654.db2.gz LZGBUBJFMLWSIC-NRFANRHFSA-N 0 1 413.474 3.569 20 5 HHBDMN Cc1ccc(C[C@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccn2)cc1 ZINC000522380050 1010969241 /nfs/dbraw/zinc/96/92/41/1010969241.db2.gz XJPNSPRWWWRUCU-GOTSBHOMSA-N 0 1 416.481 3.977 20 5 HHBDMN CC(C)(C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)n1cc([N+](=O)[O-])cn1 ZINC000522589715 1011095952 /nfs/dbraw/zinc/09/59/52/1011095952.db2.gz KGYMCADRXKZHEK-UHFFFAOYSA-N 0 1 408.393 3.848 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000522630261 1011124107 /nfs/dbraw/zinc/12/41/07/1011124107.db2.gz GLVUGNZGJRJJSM-UHFFFAOYSA-N 0 1 421.475 3.779 20 5 HHBDMN CN1CC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000536263244 1011430733 /nfs/dbraw/zinc/43/07/33/1011430733.db2.gz KBVGZNQQLKSTFY-WBVHZDCISA-N 0 1 404.264 3.533 20 5 HHBDMN COc1cc(OCC(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000540857337 1011524845 /nfs/dbraw/zinc/52/48/45/1011524845.db2.gz FXFIWKDOGOAGRP-UHFFFAOYSA-N 0 1 419.397 3.559 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H](c4nnc5ccccn54)C3)co2)cc1 ZINC000536348688 1011553841 /nfs/dbraw/zinc/55/38/41/1011553841.db2.gz NJUOAVALRNOPSI-INIZCTEOSA-N 0 1 404.430 3.672 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000541278487 1011971445 /nfs/dbraw/zinc/97/14/45/1011971445.db2.gz PVEMSQJFVVVQAK-QFIPXVFZSA-N 0 1 410.495 3.942 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(Oc2ccccc2Cl)CC1 ZINC000541282385 1011975531 /nfs/dbraw/zinc/97/55/31/1011975531.db2.gz VKYPVBHRIBJWKJ-HNNXBMFYSA-N 0 1 406.866 3.531 20 5 HHBDMN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(CN2CCSCC2)cc1 ZINC000523496579 1012017088 /nfs/dbraw/zinc/01/70/88/1012017088.db2.gz BSDFHRAXIMUNBA-UHFFFAOYSA-N 0 1 413.543 3.896 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCC(n3c(CC)nc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000536807846 1012031291 /nfs/dbraw/zinc/03/12/91/1012031291.db2.gz XHORGWBFMYGUNR-UHFFFAOYSA-N 0 1 410.478 3.660 20 5 HHBDMN Cc1ccc(Sc2ccc(CN[C@H]3CCS(=O)(=O)[C@H]3C)cc2[N+](=O)[O-])cc1 ZINC000552083445 1012099132 /nfs/dbraw/zinc/09/91/32/1012099132.db2.gz FIXPSTGBNKNLRU-YOEHRIQHSA-N 0 1 406.529 3.720 20 5 HHBDMN COc1cc(CN2CCC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000552138040 1012157545 /nfs/dbraw/zinc/15/75/45/1012157545.db2.gz ZZUTUTMUUHXDIE-GOSISDBHSA-N 0 1 420.428 3.775 20 5 HHBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n[nH]1 ZINC000552202561 1012216049 /nfs/dbraw/zinc/21/60/49/1012216049.db2.gz BWTGOGNGSMHORX-SCZZXKLOSA-N 0 1 410.272 3.788 20 5 HHBDMN Cn1ccnc1[C@H](NC1CCC(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552275882 1012289829 /nfs/dbraw/zinc/28/98/29/1012289829.db2.gz CUQCNTPEFLKUJM-GXOAENINSA-N 0 1 414.506 3.908 20 5 HHBDMN CCc1ccc([C@H](NCCCN2C[C@H](C)O[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549932 1012336731 /nfs/dbraw/zinc/33/67/31/1012336731.db2.gz LMHZCGSHUZCJAE-PNLZDCPESA-N 0 1 401.507 3.929 20 5 HHBDMN COc1ccc(-c2ccc(CN[C@H]3CCCN(c4cccnc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000541553382 1012340816 /nfs/dbraw/zinc/34/08/16/1012340816.db2.gz GHIWMRBIIHNRBP-IBGZPJMESA-N 0 1 422.441 3.544 20 5 HHBDMN COc1cc(S(=O)(=O)[N-]c2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000537030598 1012343496 /nfs/dbraw/zinc/34/34/96/1012343496.db2.gz XVUFWPFYCYYXNS-OAHLLOKOSA-N 0 1 419.503 3.779 20 5 HHBDMN COc1cc(S(=O)(=O)[N-]c2ccc(C[N@H+]3CCCC[C@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000537030598 1012343517 /nfs/dbraw/zinc/34/35/17/1012343517.db2.gz XVUFWPFYCYYXNS-OAHLLOKOSA-N 0 1 419.503 3.779 20 5 HHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CNC(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000552439081 1012457969 /nfs/dbraw/zinc/45/79/69/1012457969.db2.gz WUGUPYGMMPYREC-HXUWFJFHSA-N 0 1 414.408 3.992 20 5 HHBDMN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000537123657 1012505826 /nfs/dbraw/zinc/50/58/26/1012505826.db2.gz BESMWSVNTNMBGO-VBKZILBWSA-N 0 1 413.449 3.979 20 5 HHBDMN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-c2cccnc2)cc1 ZINC000537133181 1012519596 /nfs/dbraw/zinc/51/95/96/1012519596.db2.gz JMURXFMOWUDFQU-INIZCTEOSA-N 0 1 402.454 3.897 20 5 HHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(OCC(F)(F)F)c(F)c3)C2)nc1 ZINC000541773351 1012639760 /nfs/dbraw/zinc/63/97/60/1012639760.db2.gz XRSBNVDBKJXKBJ-CYBMUJFWSA-N 0 1 414.359 3.756 20 5 HHBDMN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000524038721 1012788699 /nfs/dbraw/zinc/78/86/99/1012788699.db2.gz SNFARCGBZIHIAX-CQSZACIVSA-N 0 1 411.466 3.610 20 5 HHBDMN CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000541944764 1012806108 /nfs/dbraw/zinc/80/61/08/1012806108.db2.gz HMWHSWLFCXTFPQ-QGZVFWFLSA-N 0 1 419.428 3.933 20 5 HHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000537418165 1012901319 /nfs/dbraw/zinc/90/13/19/1012901319.db2.gz XULNWXYGOVNFSJ-UHFFFAOYSA-N 0 1 421.563 3.671 20 5 HHBDMN COCCCN1Cc2cccc(N[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)c2C1 ZINC000524136154 1012921376 /nfs/dbraw/zinc/92/13/76/1012921376.db2.gz KGUCMTGRKQTHBK-INIZCTEOSA-N 0 1 412.490 3.694 20 5 HHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Oc3cccnc3)nc2)ccc1Cl ZINC000760268422 1071812073 /nfs/dbraw/zinc/81/20/73/1071812073.db2.gz OIBVDGACCFEKFB-UHFFFAOYSA-N 0 1 406.807 3.631 20 5 HHBDMN Cn1c2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2nc1C1CC1 ZINC000760270404 1071813856 /nfs/dbraw/zinc/81/38/56/1071813856.db2.gz NAKSZZQHBYNCFR-UHFFFAOYSA-N 0 1 406.851 3.813 20 5 HHBDMN O=[N+]([O-])c1ccc(CCN2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC001168324292 1072503695 /nfs/dbraw/zinc/50/36/95/1072503695.db2.gz JAUHODIMMUFKKY-UHFFFAOYSA-N 0 1 404.308 3.718 20 5 HHBDMN CN1CC[C@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000588008688 1072743574 /nfs/dbraw/zinc/74/35/74/1072743574.db2.gz DAHNCAITCAOSOK-XIKOKIGWSA-N 0 1 408.861 3.567 20 5 HHBDMN COc1cc(CNC[C@@H](O)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])cc1O ZINC000760701858 1073195885 /nfs/dbraw/zinc/19/58/85/1073195885.db2.gz FSQYNWXADVZEQV-JOCHJYFZSA-N 0 1 424.453 3.711 20 5 HHBDMN Cc1[nH+]ccn1-c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000555193526 1073242264 /nfs/dbraw/zinc/24/22/64/1073242264.db2.gz QBNKVBSHZFUDOM-UHFFFAOYSA-N 0 1 406.851 3.852 20 5 HHBDMN CCOc1cc(CN[C@H](C)CF)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000588930953 1073348039 /nfs/dbraw/zinc/34/80/39/1073348039.db2.gz ZYQIBBOQGPVTCN-CQSZACIVSA-N 0 1 420.437 3.887 20 5 HHBDMN O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c(Br)c1 ZINC000301833940 971079451 /nfs/dbraw/zinc/07/94/51/971079451.db2.gz JYXUBJUZEPNTBV-CQSZACIVSA-N 0 1 415.251 3.879 20 5 HHBDMN O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c(Br)c1 ZINC000301833940 971079461 /nfs/dbraw/zinc/07/94/61/971079461.db2.gz JYXUBJUZEPNTBV-CQSZACIVSA-N 0 1 415.251 3.879 20 5 HHBDMN COc1cc(NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c(F)cc1[N+](=O)[O-] ZINC000301868276 971092421 /nfs/dbraw/zinc/09/24/21/971092421.db2.gz HYAISDDQDLNFLQ-GJZGRUSLSA-N 0 1 403.454 3.964 20 5 HHBDMN O=[N+]([O-])c1cnc2ccc(NC[C@@H](c3ccccc3)N3CCc4sccc4C3)nn21 ZINC000301872589 971094048 /nfs/dbraw/zinc/09/40/48/971094048.db2.gz DGUYMVYNPPZUSS-KRWDZBQOSA-N 0 1 420.498 3.911 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(c4ccc(S(C)(=O)=O)cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000302035124 971157741 /nfs/dbraw/zinc/15/77/41/971157741.db2.gz FDKGMBHKJASCQJ-AWEZNQCLSA-N 0 1 414.487 3.567 20 5 HHBDMN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000537548395 1013066174 /nfs/dbraw/zinc/06/61/74/1013066174.db2.gz GKVFARCZYPKCRI-OAHLLOKOSA-N 0 1 416.441 3.881 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000303777644 972022086 /nfs/dbraw/zinc/02/20/86/972022086.db2.gz ICIAGPDFKZSCRJ-HKUYNNGSSA-N 0 1 417.531 3.577 20 5 HHBDMN C[C@@H](N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000524339656 1013165026 /nfs/dbraw/zinc/16/50/26/1013165026.db2.gz CNGKJJRSLTVDKQ-SJKOYZFVSA-N 0 1 409.364 3.950 20 5 HHBDMN Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000006177466 960865155 /nfs/dbraw/zinc/86/51/55/960865155.db2.gz VOPDFNGWMHMDES-UHFFFAOYSA-N 0 1 411.439 3.956 20 5 HHBDMN CN(c1ccccc1)c1ccc([C@@H]2NC(=N)Nc3nc4ccccc4n32)cc1[N+](=O)[O-] ZINC000007126687 961031324 /nfs/dbraw/zinc/03/13/24/961031324.db2.gz ULLYPIZNFDPTSF-HXUWFJFHSA-N 0 1 413.441 4.000 20 5 HHBDMN CNc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000007257749 961093956 /nfs/dbraw/zinc/09/39/56/961093956.db2.gz QBFUKCPGLYJCDX-UHFFFAOYSA-N 0 1 402.882 3.684 20 5 HHBDMN COc1cc(C=C(Cl)c2nc3ccc(Cl)cc3c(=O)[nH]2)cc([N+](=O)[O-])c1O ZINC000007332104 961134415 /nfs/dbraw/zinc/13/44/15/961134415.db2.gz CZNQTSSFFMBHNA-WCIBSUBMSA-N 0 1 408.197 3.936 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)N2CCCC2)c1 ZINC000010092318 961740897 /nfs/dbraw/zinc/74/08/97/961740897.db2.gz GPNUHMBEMDSZKL-LJQANCHMSA-N 0 1 415.515 3.892 20 5 HHBDMN Nc1ccc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000010636187 961867933 /nfs/dbraw/zinc/86/79/33/961867933.db2.gz GGYPKBWBMHHCDY-UHFFFAOYSA-N 0 1 422.407 3.544 20 5 HHBDMN Cc1nc2ccc(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)cc2[nH]1 ZINC000010896388 961941283 /nfs/dbraw/zinc/94/12/83/961941283.db2.gz KDMWYCLAGUOUFQ-UHFFFAOYSA-N 0 1 404.430 3.893 20 5 HHBDMN COc1ccc(NC(=O)CSc2nc(C=Cc3ccc(C)o3)n[nH]2)c([N+](=O)[O-])c1 ZINC000012839166 962336320 /nfs/dbraw/zinc/33/63/20/962336320.db2.gz RDIOMRQPWITOIJ-SOFGYWHQSA-N 0 1 415.431 3.524 20 5 HHBDMN CC1CCN([C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000014515315 962518400 /nfs/dbraw/zinc/51/84/00/962518400.db2.gz MDMRPXVMKPMGPT-KRWDZBQOSA-N 0 1 418.475 3.768 20 5 HHBDMN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000017167520 963166894 /nfs/dbraw/zinc/16/68/94/963166894.db2.gz XNRZCBFIAAKMKW-GJZGRUSLSA-N 0 1 417.487 3.514 20 5 HHBDMN CCCCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000017442796 963202394 /nfs/dbraw/zinc/20/23/94/963202394.db2.gz OOEDCGMYKXIFRG-UHFFFAOYSA-N 0 1 405.476 3.658 20 5 HHBDMN O=C(NCCNCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 ZINC000542470316 1013418664 /nfs/dbraw/zinc/41/86/64/1013418664.db2.gz OYYNFGPXPKBFQN-UHFFFAOYSA-N 0 1 412.671 3.530 20 5 HHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000023138749 963773938 /nfs/dbraw/zinc/77/39/38/963773938.db2.gz ZRQNJLPROSCRSY-UHFFFAOYSA-N 0 1 402.882 3.951 20 5 HHBDMN C[C@@H]1CCCN(c2ccc(C(=O)NC[C@H](c3cccs3)N(C)C)cc2[N+](=O)[O-])C1 ZINC000023710649 963879762 /nfs/dbraw/zinc/87/97/62/963879762.db2.gz XMHLQZHBZQQXDZ-DNVCBOLYSA-N 0 1 416.547 3.925 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H](C)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000025512693 964290560 /nfs/dbraw/zinc/29/05/60/964290560.db2.gz QDDSESYVKQZSLJ-AWEZNQCLSA-N 0 1 417.487 3.575 20 5 HHBDMN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132796 964471127 /nfs/dbraw/zinc/47/11/27/964471127.db2.gz ZVINKYFNRIDHCI-AUSIDOKSSA-N 0 1 409.486 3.584 20 5 HHBDMN COc1ccc2nc(SCCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])[nH]c2c1 ZINC000026244069 964500473 /nfs/dbraw/zinc/50/04/73/964500473.db2.gz UJQYROFQKIHRJQ-UHFFFAOYSA-N 0 1 402.432 3.609 20 5 HHBDMN CC[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000027155375 964803702 /nfs/dbraw/zinc/80/37/02/964803702.db2.gz SAXJXPRHMKLDGD-HNNXBMFYSA-N 0 1 417.487 3.658 20 5 HHBDMN COc1ccc(CSCC(=O)Nc2cc(Cl)c(O)cc2F)cc1[N+](=O)[O-] ZINC000553670850 1013536251 /nfs/dbraw/zinc/53/62/51/1013536251.db2.gz HMUTYQLFLCAIIQ-UHFFFAOYSA-N 0 1 400.815 3.973 20 5 HHBDMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000052795223 964987361 /nfs/dbraw/zinc/98/73/61/964987361.db2.gz UVYAIZXKDUKODW-QUCCMNQESA-N 0 1 415.515 3.517 20 5 HHBDMN COc1ccc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C2CC2)cc1 ZINC000053097639 965061379 /nfs/dbraw/zinc/06/13/79/965061379.db2.gz OCULFBPXGGGBGS-OAHLLOKOSA-N 0 1 413.474 3.851 20 5 HHBDMN COc1ccc(Br)c(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000537967287 1013544797 /nfs/dbraw/zinc/54/47/97/1013544797.db2.gz BAUXXBDXALMFNG-LBPRGKRZSA-N 0 1 422.279 3.873 20 5 HHBDMN COc1ccc(NC(=O)[C@@H](NCCNc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000028622969 965140689 /nfs/dbraw/zinc/14/06/89/965140689.db2.gz FJPXGQNGRFWQMB-QFIPXVFZSA-N 0 1 420.469 3.985 20 5 HHBDMN O=C(NCCC1CCCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000029343927 965351497 /nfs/dbraw/zinc/35/14/97/965351497.db2.gz CLQFQKQBUJWYNQ-UHFFFAOYSA-N 0 1 417.487 3.706 20 5 HHBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000537989792 1013564139 /nfs/dbraw/zinc/56/41/39/1013564139.db2.gz FAELHIXMTXJGMW-MRXNPFEDSA-N 0 1 419.485 3.776 20 5 HHBDMN CCOc1ccc2nc(SCCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)[nH]c2c1 ZINC000031308538 965975287 /nfs/dbraw/zinc/97/52/87/965975287.db2.gz WQEWWIDASNJUQL-UHFFFAOYSA-N 0 1 416.459 3.999 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000055870059 966111219 /nfs/dbraw/zinc/11/12/19/966111219.db2.gz OATYAWNRAXAXSJ-CALCHBBNSA-N 0 1 412.490 3.563 20 5 HHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000056159844 966239693 /nfs/dbraw/zinc/23/96/93/966239693.db2.gz WCOCZRZHMGXRIR-KGLIPLIRSA-N 0 1 411.462 3.557 20 5 HHBDMN CCCc1n[nH]c(C(=O)NC[C@@H](c2ccccc2Cl)N(CC)CC)c1[N+](=O)[O-] ZINC000553856360 1013658615 /nfs/dbraw/zinc/65/86/15/1013658615.db2.gz KYSRXQYJIBKRNO-INIZCTEOSA-N 0 1 407.902 3.737 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCCC1 ZINC000041799322 966639584 /nfs/dbraw/zinc/63/95/84/966639584.db2.gz IHKVXNIEDIPSEI-FQEVSTJZSA-N 0 1 408.458 3.652 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCCC1 ZINC000041799319 966639705 /nfs/dbraw/zinc/63/97/05/966639705.db2.gz IHKVXNIEDIPSEI-HXUWFJFHSA-N 0 1 408.458 3.652 20 5 HHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000542763521 1013668094 /nfs/dbraw/zinc/66/80/94/1013668094.db2.gz SBNDANDIERJBNF-UHFFFAOYSA-N 0 1 410.409 3.931 20 5 HHBDMN COc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000043111226 966907920 /nfs/dbraw/zinc/90/79/20/966907920.db2.gz JFMXGPJOXXHEDU-NRFANRHFSA-N 0 1 412.490 3.582 20 5 HHBDMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000043783850 967032451 /nfs/dbraw/zinc/03/24/51/967032451.db2.gz MQXCDOMSUHRYCE-UHFFFAOYSA-N 0 1 407.474 3.858 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000538134942 1013696862 /nfs/dbraw/zinc/69/68/62/1013696862.db2.gz NFNGJRBVRJTETI-OAHLLOKOSA-N 0 1 419.503 3.636 20 5 HHBDMN COc1ccc(Br)cc1CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000044653342 967269765 /nfs/dbraw/zinc/26/97/65/967269765.db2.gz PEDQUOILTKLOAF-UHFFFAOYSA-N 0 1 419.235 3.514 20 5 HHBDMN O=C(NC1CCN(Cc2ccncc2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065110173 967381703 /nfs/dbraw/zinc/38/17/03/967381703.db2.gz UDMJKRDRXYSZQI-UHFFFAOYSA-N 0 1 423.498 3.508 20 5 HHBDMN COCCSc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000538205291 1013759297 /nfs/dbraw/zinc/75/92/97/1013759297.db2.gz RPFVGGVOFJQDHS-OAHLLOKOSA-N 0 1 403.504 3.931 20 5 HHBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000538209585 1013763265 /nfs/dbraw/zinc/76/32/65/1013763265.db2.gz LMNNXHWMKBUGIP-CYBMUJFWSA-N 0 1 416.865 3.664 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000538227921 1013777577 /nfs/dbraw/zinc/77/75/77/1013777577.db2.gz JKBSLEXXDDJZRZ-CYBMUJFWSA-N 0 1 417.437 3.821 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4ccc(C)cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000538263876 1013805636 /nfs/dbraw/zinc/80/56/36/1013805636.db2.gz IPDORGZVAZEWIC-OAHLLOKOSA-N 0 1 414.487 3.656 20 5 HHBDMN C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000554175263 1013836527 /nfs/dbraw/zinc/83/65/27/1013836527.db2.gz XDHXRMPTQBUBTN-NSHDSACASA-N 0 1 417.828 3.615 20 5 HHBDMN O=C(NCCOc1ccccc1-c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109213318 969480311 /nfs/dbraw/zinc/48/03/11/969480311.db2.gz OUTKHJJAHDQTAO-UHFFFAOYSA-N 0 1 402.410 3.947 20 5 HHBDMN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000110293785 969648843 /nfs/dbraw/zinc/64/88/43/969648843.db2.gz TXFGCZDMGXNKFU-ROUUACIJSA-N 0 1 417.531 3.655 20 5 HHBDMN CC(C)[C@H](CO)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000112656925 969821789 /nfs/dbraw/zinc/82/17/89/969821789.db2.gz XGMYFYYXCWNTPZ-IBGZPJMESA-N 0 1 405.882 3.706 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)ccc1[N+](=O)[O-] ZINC000217210726 970083580 /nfs/dbraw/zinc/08/35/80/970083580.db2.gz QPJKIUBREOOOFV-UHFFFAOYSA-N 0 1 405.457 3.740 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1 ZINC000142594118 970162585 /nfs/dbraw/zinc/16/25/85/970162585.db2.gz OLLSNYKVDFGICV-KRWDZBQOSA-N 0 1 400.460 3.614 20 5 HHBDMN CN(Cc1ccccc1Br)C(=O)CCNCc1csc([N+](=O)[O-])c1 ZINC000237144799 970231171 /nfs/dbraw/zinc/23/11/71/970231171.db2.gz KQQKLLGAPPFYCB-UHFFFAOYSA-N 0 1 412.309 3.557 20 5 HHBDMN COc1ccc(CNCc2cccc(NC(=O)NCc3ccncc3)c2)cc1[N+](=O)[O-] ZINC000237260540 970250229 /nfs/dbraw/zinc/25/02/29/970250229.db2.gz AMZFEAYTOLQINB-UHFFFAOYSA-N 0 1 421.457 3.610 20 5 HHBDMN COc1cc2c(cc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000237294027 970257553 /nfs/dbraw/zinc/25/75/53/970257553.db2.gz PYOYGXMFPKQDKN-CQSZACIVSA-N 0 1 408.458 3.617 20 5 HHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000145743596 970270570 /nfs/dbraw/zinc/27/05/70/970270570.db2.gz RHAAXXYNPLVWCH-UHFFFAOYSA-N 0 1 418.881 3.651 20 5 HHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000322339366 972699017 /nfs/dbraw/zinc/69/90/17/972699017.db2.gz CSILJGYOEGGHQJ-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554847137 1014073472 /nfs/dbraw/zinc/07/34/72/1014073472.db2.gz RGNWSNPOPYWFGD-CQSZACIVSA-N 0 1 407.873 3.909 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000410333700 973910445 /nfs/dbraw/zinc/91/04/45/973910445.db2.gz QSEZMHFXUNRBQM-UHFFFAOYSA-N 0 1 419.484 3.974 20 5 HHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000426273360 974362249 /nfs/dbraw/zinc/36/22/49/974362249.db2.gz GJEFCTMLEKSKIJ-UHFFFAOYSA-N 0 1 413.400 3.976 20 5 HHBDMN CCN(CC)[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccco1 ZINC000426316277 974391205 /nfs/dbraw/zinc/39/12/05/974391205.db2.gz DCJPSJSDVIWYAS-LJQANCHMSA-N 0 1 400.479 3.945 20 5 HHBDMN Cc1c(CN(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000426747395 974632428 /nfs/dbraw/zinc/63/24/28/974632428.db2.gz OXOIEMZQCAHDIO-MRXNPFEDSA-N 0 1 403.504 3.636 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc(-c3ncco3)c2C)cc1[N+](=O)[O-] ZINC000427308174 975041240 /nfs/dbraw/zinc/04/12/40/975041240.db2.gz LWGDVJYDWTXBNS-UHFFFAOYSA-N 0 1 407.379 3.507 20 5 HHBDMN Cc1nn(CCC(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)c(C)c1[N+](=O)[O-] ZINC000427789553 975289920 /nfs/dbraw/zinc/28/99/20/975289920.db2.gz MZYMTAVMUQTIOM-UHFFFAOYSA-N 0 1 404.430 3.980 20 5 HHBDMN Cc1cc2c(cc1C)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCS2 ZINC000427877403 975331179 /nfs/dbraw/zinc/33/11/79/975331179.db2.gz OCTKDABXKJEKLK-SFHVURJKSA-N 0 1 406.529 3.812 20 5 HHBDMN CCOc1ccc(Oc2cc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccn2)cc1 ZINC000427913128 975346351 /nfs/dbraw/zinc/34/63/51/975346351.db2.gz IMVLITQEXWLAIY-UHFFFAOYSA-N 0 1 409.398 3.816 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCN1CCO ZINC000428462229 975764746 /nfs/dbraw/zinc/76/47/46/975764746.db2.gz QEPHPMASMNGYPK-OAHLLOKOSA-N 0 1 405.882 3.539 20 5 HHBDMN Cc1ccc(CN(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] ZINC000428477570 975776662 /nfs/dbraw/zinc/77/66/62/975776662.db2.gz UUCQVSYBJNUQNB-INIZCTEOSA-N 0 1 403.504 3.636 20 5 HHBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000429109524 976390890 /nfs/dbraw/zinc/39/08/90/976390890.db2.gz MHDGHTYQQHHGNZ-UHFFFAOYSA-N 0 1 416.397 3.606 20 5 HHBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430552235 977627276 /nfs/dbraw/zinc/62/72/76/977627276.db2.gz JOJDUFQXUZWHIW-UHFFFAOYSA-N 0 1 415.515 3.778 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000431057276 977986805 /nfs/dbraw/zinc/98/68/05/977986805.db2.gz HKZAWZDABAXQKD-UHFFFAOYSA-N 0 1 411.506 3.794 20 5 HHBDMN Cc1cnc(C(C)(C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000431899335 978586234 /nfs/dbraw/zinc/58/62/34/978586234.db2.gz PVGKGVSBRDLFBN-UHFFFAOYSA-N 0 1 410.304 3.880 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Br)c(C)c1F ZINC000432640676 978921486 /nfs/dbraw/zinc/92/14/86/978921486.db2.gz GPVALFQOZOCBPW-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN O=C(CN[C@@H](c1ccccc1)C1(CO)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000433304721 979225906 /nfs/dbraw/zinc/22/59/06/979225906.db2.gz OEKPBPUUKVMTRD-IBGZPJMESA-N 0 1 403.866 3.680 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c1[N+](=O)[O-] ZINC000433851519 979626396 /nfs/dbraw/zinc/62/63/96/979626396.db2.gz ITDJSHYXHBOLCD-UHFFFAOYSA-N 0 1 414.441 3.675 20 5 HHBDMN CC(C)c1n[nH]c(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000433851188 979626407 /nfs/dbraw/zinc/62/64/07/979626407.db2.gz AGQDVVTWKQSDJC-AWEZNQCLSA-N 0 1 405.524 3.706 20 5 HHBDMN CCN(CC)[C@H](CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1ccccc1Cl ZINC000433862088 979633001 /nfs/dbraw/zinc/63/30/01/979633001.db2.gz IMEPIUOQWMYFFD-OAHLLOKOSA-N 0 1 407.902 3.908 20 5 HHBDMN COC(=O)[C@H]1CC[C@@H](NCc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000435280342 980756648 /nfs/dbraw/zinc/75/66/48/980756648.db2.gz SGLLXAMMKCRBPU-FUHWJXTLSA-N 0 1 414.458 3.614 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(Br)c(C)c2)c1[N+](=O)[O-] ZINC000435967427 981120182 /nfs/dbraw/zinc/12/01/82/981120182.db2.gz OBWHXVQEAJJWDU-AWEZNQCLSA-N 0 1 407.268 3.929 20 5 HHBDMN C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@H](C)C1 ZINC000436103159 981201571 /nfs/dbraw/zinc/20/15/71/981201571.db2.gz UAVWWJZQHGLZNI-UONOGXRCSA-N 0 1 413.468 3.810 20 5 HHBDMN CN(CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Cc1ccccc1 ZINC000436144015 981218942 /nfs/dbraw/zinc/21/89/42/981218942.db2.gz ZNGHTCPRHGEGQC-UHFFFAOYSA-N 0 1 403.457 3.682 20 5 HHBDMN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc(C2CCCCC2)no1 ZINC000436178350 981237337 /nfs/dbraw/zinc/23/73/37/981237337.db2.gz MBCXRZCGRNMSDJ-JTQLQIEISA-N 0 1 414.871 3.718 20 5 HHBDMN C[C@@H](Sc1nc(-c2ccccc2O)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000436849621 981589493 /nfs/dbraw/zinc/58/94/93/981589493.db2.gz FWVRZKVNZZVHCT-SECBINFHSA-N 0 1 419.850 3.858 20 5 HHBDMN C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000436893097 981603454 /nfs/dbraw/zinc/60/34/54/981603454.db2.gz NQPUZKRGOZNJJB-KZULUSFZSA-N 0 1 407.829 3.516 20 5 HHBDMN Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436907303 981613360 /nfs/dbraw/zinc/61/33/60/981613360.db2.gz XVELYNXMANBJFB-QGZVFWFLSA-N 0 1 421.457 3.505 20 5 HHBDMN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000436957810 981646251 /nfs/dbraw/zinc/64/62/51/981646251.db2.gz AKTGVPCTSGFVGX-UHFFFAOYSA-N 0 1 415.449 3.828 20 5 HHBDMN CN(c1ccccc1)c1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000437122047 981775285 /nfs/dbraw/zinc/77/52/85/981775285.db2.gz HCGYLVLPJUEWBN-SFHVURJKSA-N 0 1 404.474 3.839 20 5 HHBDMN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C ZINC000460191091 981964880 /nfs/dbraw/zinc/96/48/80/981964880.db2.gz GGXBBJNHXNKWOD-KRWDZBQOSA-N 0 1 406.490 3.584 20 5 HHBDMN CN(C)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(F)c1 ZINC000437692539 982300279 /nfs/dbraw/zinc/30/02/79/982300279.db2.gz CJKQJFIMXXFOTO-FQEVSTJZSA-N 0 1 400.454 3.711 20 5 HHBDMN CN(C)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccc(F)c1 ZINC000437692540 982300316 /nfs/dbraw/zinc/30/03/16/982300316.db2.gz CJKQJFIMXXFOTO-HXUWFJFHSA-N 0 1 400.454 3.711 20 5 HHBDMN CN(C)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(F)cc1 ZINC000438012048 982522654 /nfs/dbraw/zinc/52/26/54/982522654.db2.gz LYHQRXMNNQYNFE-FQEVSTJZSA-N 0 1 400.454 3.711 20 5 HHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000460939584 982677609 /nfs/dbraw/zinc/67/76/09/982677609.db2.gz NXQSFDAPKKHZIW-UHFFFAOYSA-N 0 1 411.439 3.577 20 5 HHBDMN Cc1c(CC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000438910888 983148816 /nfs/dbraw/zinc/14/88/16/983148816.db2.gz OAQZEPOGDIOSHH-UHFFFAOYSA-N 0 1 405.458 3.637 20 5 HHBDMN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000439014665 983210816 /nfs/dbraw/zinc/21/08/16/983210816.db2.gz ITNVLQZZHAQONU-FCLVOEFKSA-N 0 1 400.479 3.796 20 5 HHBDMN CC(C)n1cc(Br)cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000439190267 983300368 /nfs/dbraw/zinc/30/03/68/983300368.db2.gz QXLXDRMEZNDCMC-UHFFFAOYSA-N 0 1 419.239 3.777 20 5 HHBDMN NC(=O)c1ccc(CN2CCC(c3cccc(Br)c3)CC2)c([N+](=O)[O-])c1 ZINC000439332182 983369308 /nfs/dbraw/zinc/36/93/08/983369308.db2.gz ZHZXCDBGHOYJDL-UHFFFAOYSA-N 0 1 418.291 3.836 20 5 HHBDMN C[C@H](NC[C@H](O)COc1cc(F)cc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000439459959 983420213 /nfs/dbraw/zinc/42/02/13/983420213.db2.gz WYNRNNXHFPFFGD-FZMZJTMJSA-N 0 1 413.243 3.587 20 5 HHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000439759085 983527476 /nfs/dbraw/zinc/52/74/76/983527476.db2.gz JVOYNODIGZZJFT-ZDUSSCGKSA-N 0 1 422.407 3.964 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1-c1nncn1C(C)C ZINC000439865754 983561168 /nfs/dbraw/zinc/56/11/68/983561168.db2.gz APWKTWKHCDCSPM-UHFFFAOYSA-N 0 1 401.448 3.543 20 5 HHBDMN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN([C@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000439872738 983563856 /nfs/dbraw/zinc/56/38/56/983563856.db2.gz MSUJHMFGUSYCSS-MSOLQXFVSA-N 0 1 417.531 3.655 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000439888104 983571372 /nfs/dbraw/zinc/57/13/72/983571372.db2.gz MIXUKCIUKAWYGX-KRWDZBQOSA-N 0 1 402.451 3.854 20 5 HHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000440180834 983672347 /nfs/dbraw/zinc/67/23/47/983672347.db2.gz ADHDHVJJSKHWJY-MRXNPFEDSA-N 0 1 411.506 3.750 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441534733 984308837 /nfs/dbraw/zinc/30/88/37/984308837.db2.gz LPSUVWJTZCOQOP-INIZCTEOSA-N 0 1 420.878 3.959 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1C ZINC000462325131 985314821 /nfs/dbraw/zinc/31/48/21/985314821.db2.gz FOTGWIVSKQUKCL-HNAYVOBHSA-N 0 1 423.560 3.635 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCc2c1cccc2O ZINC000443214134 985445462 /nfs/dbraw/zinc/44/54/62/985445462.db2.gz JWPYYDCEJZAXQW-LBPRGKRZSA-N 0 1 403.243 3.573 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](CCCO)c1ccccc1 ZINC000443234384 985456003 /nfs/dbraw/zinc/45/60/03/985456003.db2.gz GECPPOYIMHSFPB-AWEZNQCLSA-N 0 1 419.286 3.694 20 5 HHBDMN Cn1ccnc1-c1cc(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000443312966 985487632 /nfs/dbraw/zinc/48/76/32/985487632.db2.gz NZOSLMDRSKEFKT-UHFFFAOYSA-N 0 1 420.454 4.122 20 5 HHBDMN C[C@@H]1CCCC[C@H]1OCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462542597 985490190 /nfs/dbraw/zinc/49/01/90/985490190.db2.gz NTWDQIUSYXDBGO-QMTHXVAHSA-N 0 1 411.307 3.775 20 5 HHBDMN CCOc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462544533 985492786 /nfs/dbraw/zinc/49/27/86/985492786.db2.gz AEEUIKOHFOPGKN-UHFFFAOYSA-N 0 1 405.259 3.779 20 5 HHBDMN O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000462634763 985576034 /nfs/dbraw/zinc/57/60/34/985576034.db2.gz BWEYNCFXFBHDGF-AULYBMBSSA-N 0 1 415.247 3.910 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000443487406 985662149 /nfs/dbraw/zinc/66/21/49/985662149.db2.gz JYRYVLGISRLGOD-HZMBPMFUSA-N 0 1 411.307 3.511 20 5 HHBDMN Cc1c(Br)cc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000443683675 985895810 /nfs/dbraw/zinc/89/58/10/985895810.db2.gz RCEZNXKKGHRBRK-UHFFFAOYSA-N 0 1 402.208 3.703 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000443958920 986165920 /nfs/dbraw/zinc/16/59/20/986165920.db2.gz NUIUZPDKFWQMOO-UHFFFAOYSA-N 0 1 404.511 3.616 20 5 HHBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444116898 986315138 /nfs/dbraw/zinc/31/51/38/986315138.db2.gz XQLWYHLFCCHGKU-UHFFFAOYSA-N 0 1 400.413 3.669 20 5 HHBDMN CCN(CC)S(=O)(=O)c1ccc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)s1 ZINC000468631058 986348060 /nfs/dbraw/zinc/34/80/60/986348060.db2.gz QFMFGGVWNHWGBZ-PTNGSMBKSA-N 0 1 423.560 3.880 20 5 HHBDMN COc1cccc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000444181728 986360738 /nfs/dbraw/zinc/36/07/38/986360738.db2.gz KMWSXPRBWOIVAT-UHFFFAOYSA-N 0 1 417.893 3.899 20 5 HHBDMN C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000463411933 986381193 /nfs/dbraw/zinc/38/11/93/986381193.db2.gz HAKATCYJNPWPCP-CYBMUJFWSA-N 0 1 407.392 3.790 20 5 HHBDMN CN(C)CCN(Cc1cccs1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444230564 986417551 /nfs/dbraw/zinc/41/75/51/986417551.db2.gz ZTUOYKAFBGHOPE-UHFFFAOYSA-N 0 1 405.523 3.947 20 5 HHBDMN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444320041 986501422 /nfs/dbraw/zinc/50/14/22/986501422.db2.gz STGJHBAHRBUKIQ-BXKMTCNYSA-N 0 1 411.505 3.932 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c(O)c1 ZINC000444369591 986546419 /nfs/dbraw/zinc/54/64/19/986546419.db2.gz VJIJZZUZFBSLQO-UHFFFAOYSA-N 0 1 413.430 3.624 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cccc(C(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000468982266 986689069 /nfs/dbraw/zinc/68/90/69/986689069.db2.gz NRWSNLMGVWXIGK-UHFFFAOYSA-N 0 1 412.423 3.635 20 5 HHBDMN COC(=O)C[C@@]1(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000463712257 986698467 /nfs/dbraw/zinc/69/84/67/986698467.db2.gz UUYPHHQJUWDCJF-FQEVSTJZSA-N 0 1 420.849 3.852 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)ccc1[N+](=O)[O-] ZINC000468999587 986704585 /nfs/dbraw/zinc/70/45/85/986704585.db2.gz PZMJMOLFMCYYKZ-UHFFFAOYSA-N 0 1 421.475 3.697 20 5 HHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cccc21 ZINC000469071502 986784099 /nfs/dbraw/zinc/78/40/99/986784099.db2.gz PRRQRIUKGNEZIF-MRXNPFEDSA-N 0 1 420.263 3.995 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000444920382 987068255 /nfs/dbraw/zinc/06/82/55/987068255.db2.gz KDOBMXNMVZCJOD-INIZCTEOSA-N 0 1 408.418 3.758 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000444920382 987068269 /nfs/dbraw/zinc/06/82/69/987068269.db2.gz KDOBMXNMVZCJOD-INIZCTEOSA-N 0 1 408.418 3.758 20 5 HHBDMN COc1cc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000469498516 987177249 /nfs/dbraw/zinc/17/72/49/987177249.db2.gz XZFWALHMOGLQEJ-MRXNPFEDSA-N 0 1 411.380 3.655 20 5 HHBDMN COC(=O)c1ccc(F)c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000445252254 987309171 /nfs/dbraw/zinc/30/91/71/987309171.db2.gz VHPOULAYLQCYJA-UHFFFAOYSA-N 0 1 403.185 3.597 20 5 HHBDMN C[C@H]1CN(Cc2ccc(CNC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000470145526 988052901 /nfs/dbraw/zinc/05/29/01/988052901.db2.gz WBDPKQKOTHROME-GJZGRUSLSA-N 0 1 416.453 3.665 20 5 HHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000463965687 988077782 /nfs/dbraw/zinc/07/77/82/988077782.db2.gz ARBPNMOITIFIKM-UHFFFAOYSA-N 0 1 411.506 3.545 20 5 HHBDMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000464181891 988303381 /nfs/dbraw/zinc/30/33/81/988303381.db2.gz CGLNBMTWRQNOQQ-UHFFFAOYSA-N 0 1 423.454 3.890 20 5 HHBDMN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000470721308 988746599 /nfs/dbraw/zinc/74/65/99/988746599.db2.gz CGVBMSIDXOYLGK-UHFFFAOYSA-N 0 1 408.336 3.641 20 5 HHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cn(C(C)(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000464607021 988789179 /nfs/dbraw/zinc/78/91/79/988789179.db2.gz XSQAWXJNUXXDLF-GXTWGEPZSA-N 0 1 403.483 3.541 20 5 HHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cn(C(C)(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000464607024 988789357 /nfs/dbraw/zinc/78/93/57/988789357.db2.gz XSQAWXJNUXXDLF-OCCSQVGLSA-N 0 1 403.483 3.541 20 5 HHBDMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464663666 988858388 /nfs/dbraw/zinc/85/83/88/988858388.db2.gz WTPPMUCFQLDFGL-UHFFFAOYSA-N 0 1 410.405 3.808 20 5 HHBDMN CCS[C@H]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000464772276 988995518 /nfs/dbraw/zinc/99/55/18/988995518.db2.gz IVDGXWGBUXOMSH-AAEUAGOBSA-N 0 1 416.341 3.902 20 5 HHBDMN CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000465297034 989654168 /nfs/dbraw/zinc/65/41/68/989654168.db2.gz IKUIWPHTIHEJST-YOEHRIQHSA-N 0 1 417.487 3.656 20 5 HHBDMN CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000465297032 989654466 /nfs/dbraw/zinc/65/44/66/989654466.db2.gz IKUIWPHTIHEJST-RHSMWYFYSA-N 0 1 417.487 3.656 20 5 HHBDMN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)N1CCCC1 ZINC000466389193 991678609 /nfs/dbraw/zinc/67/86/09/991678609.db2.gz BISJKTNIBUMUFH-LBPRGKRZSA-N 0 1 422.279 3.718 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000466474421 991765722 /nfs/dbraw/zinc/76/57/22/991765722.db2.gz OSTLXPFVHOSKJA-MRXNPFEDSA-N 0 1 407.392 3.813 20 5 HHBDMN Cc1sc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)cc1[N+](=O)[O-] ZINC000466475655 991767646 /nfs/dbraw/zinc/76/76/46/991767646.db2.gz VGDQYYNTGGVILU-UHFFFAOYSA-N 0 1 413.221 3.806 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])N1CCCCC1 ZINC000466994003 992303184 /nfs/dbraw/zinc/30/31/84/992303184.db2.gz WKLQPHOMBGLOOJ-IBGZPJMESA-N 0 1 401.438 3.700 20 5 HHBDMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467114116 992427027 /nfs/dbraw/zinc/42/70/27/992427027.db2.gz MQJISTVJLDHPJI-HNNXBMFYSA-N 0 1 411.355 3.757 20 5 HHBDMN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](c1ccco1)N1CCCCC1 ZINC000467554446 992835080 /nfs/dbraw/zinc/83/50/80/992835080.db2.gz PIPXVPMUQGMANV-QGZVFWFLSA-N 0 1 406.870 3.868 20 5 HHBDMN Cc1sc(CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000472313672 993325281 /nfs/dbraw/zinc/32/52/81/993325281.db2.gz PUTFWMPZMSERDC-UHFFFAOYSA-N 0 1 421.475 3.687 20 5 HHBDMN O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCc4cccc(F)c4F)CC3)nc2c1 ZINC000481189263 994021456 /nfs/dbraw/zinc/02/14/56/994021456.db2.gz LVXUBIXBGMFBCX-UHFFFAOYSA-N 0 1 401.417 3.504 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000481326954 994146450 /nfs/dbraw/zinc/14/64/50/994146450.db2.gz DHQBSHRNVMNLQS-LJQANCHMSA-N 0 1 412.490 3.973 20 5 HHBDMN CC(C)CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCc2cccnc21 ZINC000481333078 994152442 /nfs/dbraw/zinc/15/24/42/994152442.db2.gz QKEARVWTSPLOLQ-FQEVSTJZSA-N 0 1 408.502 3.915 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000481384370 994215696 /nfs/dbraw/zinc/21/56/96/994215696.db2.gz UXSYMOIWAKMBHV-BLVKFPJESA-N 0 1 407.854 3.561 20 5 HHBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)C[C@@H]1CCCC[C@H]1O ZINC000481516437 994346315 /nfs/dbraw/zinc/34/63/15/994346315.db2.gz NBVIVDNLHYWCKV-QIIPPGSGSA-N 0 1 418.519 3.528 20 5 HHBDMN Cc1cc(NS(=O)(=O)c2c(C)ccc3cccnc32)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000481943460 994820690 /nfs/dbraw/zinc/82/06/90/994820690.db2.gz NMUDOUTUJCAFRT-UHFFFAOYSA-N 0 1 423.454 3.746 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000481968661 994858140 /nfs/dbraw/zinc/85/81/40/994858140.db2.gz AZQCNRYZJIHIQZ-KRWDZBQOSA-N 0 1 416.459 3.740 20 5 HHBDMN Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481972758 994864753 /nfs/dbraw/zinc/86/47/53/994864753.db2.gz NUHLEWTWBZTPNF-UHFFFAOYSA-N 0 1 419.503 3.707 20 5 HHBDMN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3cc(CN(C)C)ccn3)cc2[N+](=O)[O-])C1 ZINC000482361140 995342803 /nfs/dbraw/zinc/34/28/03/995342803.db2.gz GDFLHCPTXZWLPF-HZPDHXFCSA-N 0 1 411.506 3.786 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000474879248 995773144 /nfs/dbraw/zinc/77/31/44/995773144.db2.gz RXJYCCSHFHBOQM-CQSZACIVSA-N 0 1 412.368 3.503 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccc(Br)cn1 ZINC000482990838 995905419 /nfs/dbraw/zinc/90/54/19/995905419.db2.gz WLLQSVHCGWKLMG-GFCCVEGCSA-N 0 1 407.268 3.740 20 5 HHBDMN CCOc1cc(N2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000475488555 996173531 /nfs/dbraw/zinc/17/35/31/996173531.db2.gz SDJRGXASWHQBAP-UHFFFAOYSA-N 0 1 407.474 3.706 20 5 HHBDMN O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000475494580 996178611 /nfs/dbraw/zinc/17/86/11/996178611.db2.gz RPMAOZYVIUHGCG-UHFFFAOYSA-N 0 1 423.391 3.667 20 5 HHBDMN COC(=O)COc1ccc(CN(C)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000475582650 996230426 /nfs/dbraw/zinc/23/04/26/996230426.db2.gz LHLXXFBEWWKPEO-UHFFFAOYSA-N 0 1 423.263 3.541 20 5 HHBDMN COC(=O)COc1ccc(CN2CC[C@@H](C)[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475713858 996317198 /nfs/dbraw/zinc/31/71/98/996317198.db2.gz FSJUEHASQRJTHJ-SZNDQCEHSA-N 0 1 402.422 3.869 20 5 HHBDMN Cc1c(CNC(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)cccc1[N+](=O)[O-] ZINC000483813317 996404689 /nfs/dbraw/zinc/40/46/89/996404689.db2.gz CRBPAZQEBJSOEG-INIZCTEOSA-N 0 1 424.501 3.518 20 5 HHBDMN O=C(Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476102342 996597246 /nfs/dbraw/zinc/59/72/46/996597246.db2.gz JPNAEDPUKAVETI-UHFFFAOYSA-N 0 1 412.789 3.853 20 5 HHBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nccn1CCc1ccccc1 ZINC000484291258 996682900 /nfs/dbraw/zinc/68/29/00/996682900.db2.gz MOELQPBUKADJDF-QGZVFWFLSA-N 0 1 407.474 3.541 20 5 HHBDMN COc1c(C(=O)Nc2cc(Br)cc(Cl)c2O)cccc1[N+](=O)[O-] ZINC000476530445 997019166 /nfs/dbraw/zinc/01/91/66/997019166.db2.gz HDLHYKBHTPHINA-UHFFFAOYSA-N 0 1 401.600 3.977 20 5 HHBDMN O=[N+]([O-])c1ccc(N2CCC(CCN3CCOCC3)CC2)nc1-c1ccc(F)cc1 ZINC000485394256 997822445 /nfs/dbraw/zinc/82/24/45/997822445.db2.gz USBQTPMDCPXRJB-UHFFFAOYSA-N 0 1 414.481 3.735 20 5 HHBDMN COc1cc(C(=O)N2CCNC(C)(C)C2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000477315966 998003754 /nfs/dbraw/zinc/00/37/54/998003754.db2.gz BAXMADUIDGPTLE-UHFFFAOYSA-N 0 1 419.865 3.873 20 5 HHBDMN Cn1c(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)ccc1[N+](=O)[O-] ZINC000486560491 998826086 /nfs/dbraw/zinc/82/60/86/998826086.db2.gz BSANTUPKPUDJLK-SFHVURJKSA-N 0 1 406.433 3.557 20 5 HHBDMN CC(C)(NC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000487532255 999208531 /nfs/dbraw/zinc/20/85/31/999208531.db2.gz ZEPRTJYZPLAIRR-GOSISDBHSA-N 0 1 400.479 3.949 20 5 HHBDMN Cc1ccc([C@H](C)NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1[N+](=O)[O-] ZINC000487721876 999265452 /nfs/dbraw/zinc/26/54/52/999265452.db2.gz DUIIHMSLGAZYOY-KRWDZBQOSA-N 0 1 411.506 3.846 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F ZINC000479331697 999389232 /nfs/dbraw/zinc/38/92/32/999389232.db2.gz AUPWGOPMZAXBFO-UHFFFAOYSA-N 0 1 410.423 3.798 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2F)c([N+](=O)[O-])c1 ZINC000479458748 999426994 /nfs/dbraw/zinc/42/69/94/999426994.db2.gz RAJTXGPDMXKECO-UHFFFAOYSA-N 0 1 410.423 3.798 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)n2)o1 ZINC000479466680 999430212 /nfs/dbraw/zinc/43/02/12/999430212.db2.gz RWCOGCMHCZAOKS-LBPRGKRZSA-N 0 1 410.434 3.770 20 5 HHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000488839141 999623661 /nfs/dbraw/zinc/62/36/61/999623661.db2.gz MTQBYHQAHPWHBO-MRXNPFEDSA-N 0 1 421.563 3.812 20 5 HHBDMN C[C@H](NC(=O)[C@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc2ccccc2c1 ZINC000489002653 999669075 /nfs/dbraw/zinc/66/90/75/999669075.db2.gz AKFDABZGWYRKIH-IRXDYDNUSA-N 0 1 421.501 3.847 20 5 HHBDMN Cc1c(CNC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000480056443 999704294 /nfs/dbraw/zinc/70/42/94/999704294.db2.gz FKZJXAUUGFJVIY-GOSISDBHSA-N 0 1 406.446 3.735 20 5 HHBDMN Cc1c(CNC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000480056443 999704296 /nfs/dbraw/zinc/70/42/96/999704296.db2.gz FKZJXAUUGFJVIY-GOSISDBHSA-N 0 1 406.446 3.735 20 5 HHBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000489258954 999732044 /nfs/dbraw/zinc/73/20/44/999732044.db2.gz UVBVVVAECQVNJZ-UHFFFAOYSA-N 0 1 421.563 3.527 20 5 HHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n[nH]1 ZINC000489281805 999736257 /nfs/dbraw/zinc/73/62/57/999736257.db2.gz OPWIYOQALKYDJZ-LSDHHAIUSA-N 0 1 414.510 3.954 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)c(F)cc1C ZINC000480190443 999740553 /nfs/dbraw/zinc/74/05/53/999740553.db2.gz BJPBFCYQOXHIBS-UHFFFAOYSA-N 0 1 419.228 3.614 20 5 HHBDMN COCCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1scnc1C ZINC000489505081 999780083 /nfs/dbraw/zinc/78/00/83/999780083.db2.gz BQGOFBOHQAXBAB-UHFFFAOYSA-N 0 1 402.476 3.706 20 5 HHBDMN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000489511895 999781303 /nfs/dbraw/zinc/78/13/03/999781303.db2.gz VNZAELVBKJVKJM-CQSZACIVSA-N 0 1 414.805 3.831 20 5 HHBDMN COc1cccc([C@H](CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)c1 ZINC000489892903 999856893 /nfs/dbraw/zinc/85/68/93/999856893.db2.gz SMHQMDBBVIHSBD-YWZLYKJASA-N 0 1 400.479 3.575 20 5 HHBDMN 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COc1ccc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000534225275 1006221745 /nfs/dbraw/zinc/22/17/45/1006221745.db2.gz CSTJIAUFRMLEBU-AUUYWEPGSA-N 0 1 421.856 3.819 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000515470078 1006483884 /nfs/dbraw/zinc/48/38/84/1006483884.db2.gz KLSXTTKBSTUGCK-GOSISDBHSA-N 0 1 419.279 3.740 20 5 HHBDMN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000534588008 1006572717 /nfs/dbraw/zinc/57/27/17/1006572717.db2.gz KFGZITAXWGKKAV-GOSISDBHSA-N 0 1 406.446 3.546 20 5 HHBDMN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000534588008 1006572723 /nfs/dbraw/zinc/57/27/23/1006572723.db2.gz KFGZITAXWGKKAV-GOSISDBHSA-N 0 1 406.446 3.546 20 5 HHBDMN CN1CC[C@@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1c1ccccc1 ZINC000534753629 1006748381 /nfs/dbraw/zinc/74/83/81/1006748381.db2.gz FWSVEFBWQBISHT-MJGOQNOKSA-N 0 1 408.483 3.894 20 5 HHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000538592375 1006860832 /nfs/dbraw/zinc/86/08/32/1006860832.db2.gz SFDKPWBAUAOSFU-IYBDPMFKSA-N 0 1 409.552 3.716 20 5 HHBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000532474022 1006913052 /nfs/dbraw/zinc/91/30/52/1006913052.db2.gz IAXOHIRKSRQFCG-JOCHJYFZSA-N 0 1 408.502 3.611 20 5 HHBDMN CC(C)N(Cc1ccc(Br)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532490628 1006931340 /nfs/dbraw/zinc/93/13/40/1006931340.db2.gz HUQIPFPQVNSBOS-UHFFFAOYSA-N 0 1 406.280 3.867 20 5 HHBDMN CN1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534962775 1007012487 /nfs/dbraw/zinc/01/24/87/1007012487.db2.gz JOMHNYSICKRECV-YWZLYKJASA-N 0 1 405.857 3.739 20 5 HHBDMN CC(C)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000516394479 1007058362 /nfs/dbraw/zinc/05/83/62/1007058362.db2.gz LAMKCKMZWOFFJA-LJQANCHMSA-N 0 1 417.487 3.656 20 5 HHBDMN NC(=O)c1ccc(CN2CCC[C@H](COc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000532827072 1007210794 /nfs/dbraw/zinc/21/07/94/1007210794.db2.gz GUBCNCLSZZJJNC-AWEZNQCLSA-N 0 1 403.866 3.638 20 5 HHBDMN O=C(CN1CCC(c2c[nH]c3ccccc32)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532900179 1007277498 /nfs/dbraw/zinc/27/74/98/1007277498.db2.gz NMRZLXOTWINYPZ-UHFFFAOYSA-N 0 1 404.470 3.845 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000535233190 1007287058 /nfs/dbraw/zinc/28/70/58/1007287058.db2.gz IKCNFTCSHLUGSL-UHFFFAOYSA-N 0 1 410.455 3.619 20 5 HHBDMN CC[C@@H](NCc1ccccc1CS(=O)(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000539045267 1007341775 /nfs/dbraw/zinc/34/17/75/1007341775.db2.gz IBDABYRSWMBBGV-OAQYLSRUSA-N 0 1 417.531 3.761 20 5 HHBDMN COc1ccc(NC(=O)[C@@H](C)N2CC[C@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000532976467 1007346964 /nfs/dbraw/zinc/34/69/64/1007346964.db2.gz CECZZNPORATXCY-GDBMZVCRSA-N 0 1 401.438 3.634 20 5 HHBDMN O=C(CNC1(c2ccccc2)CCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533030921 1007390567 /nfs/dbraw/zinc/39/05/67/1007390567.db2.gz IPESYFUQCCTFQX-UHFFFAOYSA-N 0 1 404.264 3.965 20 5 HHBDMN CCc1cnccc1[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000539115246 1007402390 /nfs/dbraw/zinc/40/23/90/1007402390.db2.gz BCSSJRXPNUUNPB-SECBINFHSA-N 0 1 404.275 3.899 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(CC(=O)N4CCc5ccc([N+](=O)[O-])cc54)C3)[nH]c2c1 ZINC000539220222 1007512619 /nfs/dbraw/zinc/51/26/19/1007512619.db2.gz LHQFLPIGVLBBLA-KRWDZBQOSA-N 0 1 419.485 3.548 20 5 HHBDMN Cc1ccc(CNCc2ccc(Br)cc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000533200221 1007532260 /nfs/dbraw/zinc/53/22/60/1007532260.db2.gz UGEDHBNYMSJUMF-UHFFFAOYSA-N 0 1 420.307 3.792 20 5 HHBDMN CC[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1OC(F)F ZINC000539253092 1007547213 /nfs/dbraw/zinc/54/72/13/1007547213.db2.gz BTZAXSWVRPRJGN-LBPRGKRZSA-N 0 1 423.372 3.604 20 5 HHBDMN C[C@H](NCC(=O)N(C)Cc1cc(Br)cs1)c1cccc([N+](=O)[O-])c1 ZINC000539277006 1007571352 /nfs/dbraw/zinc/57/13/52/1007571352.db2.gz SJBLCXJGGNVVIH-NSHDSACASA-N 0 1 412.309 3.728 20 5 HHBDMN CC(C)C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000539636836 1007953397 /nfs/dbraw/zinc/95/33/97/1007953397.db2.gz BHNXCKWOHHTJAN-NEPJUHHUSA-N 0 1 411.307 3.774 20 5 HHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000533828960 1008138748 /nfs/dbraw/zinc/13/87/48/1008138748.db2.gz YSLLOQOLNUQESL-UKRRQHHQSA-N 0 1 409.450 3.512 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000539855037 1008142784 /nfs/dbraw/zinc/14/27/84/1008142784.db2.gz NDHWUYNZEBCDGS-UHFFFAOYSA-N 0 1 415.265 3.613 20 5 HHBDMN Cc1c(Br)cc(C(=O)Nc2ccccc2-c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000540001789 1008230464 /nfs/dbraw/zinc/23/04/64/1008230464.db2.gz JIOJADODGAASGB-UHFFFAOYSA-N 0 1 402.208 3.703 20 5 HHBDMN O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000518336388 1008266799 /nfs/dbraw/zinc/26/67/99/1008266799.db2.gz RIZTUNPHBROEOO-QGZVFWFLSA-N 0 1 403.866 3.738 20 5 HHBDMN O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000518336388 1008266802 /nfs/dbraw/zinc/26/68/02/1008266802.db2.gz RIZTUNPHBROEOO-QGZVFWFLSA-N 0 1 403.866 3.738 20 5 HHBDMN CCCc1[nH]nc(C(=O)Nc2nnc(SCc3cccs3)s2)c1[N+](=O)[O-] ZINC000518338680 1008268042 /nfs/dbraw/zinc/26/80/42/1008268042.db2.gz NZLRLBCMRGAAOC-UHFFFAOYSA-N 0 1 410.506 3.728 20 5 HHBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000540191532 1008329414 /nfs/dbraw/zinc/32/94/14/1008329414.db2.gz UIBLUGJUSYDPLE-HNNXBMFYSA-N 0 1 415.471 3.517 20 5 HHBDMN COc1ccc(S(=O)(=O)[N-]c2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c([N+](=O)[O-])c1 ZINC000540331230 1008383652 /nfs/dbraw/zinc/38/36/52/1008383652.db2.gz QLVMEOTURVAMCG-HNNXBMFYSA-N 0 1 419.503 3.779 20 5 HHBDMN CCCOc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000540352559 1008394374 /nfs/dbraw/zinc/39/43/74/1008394374.db2.gz PQDKVQLSOIGCEX-HNNXBMFYSA-N 0 1 401.463 3.990 20 5 HHBDMN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000540354691 1008395981 /nfs/dbraw/zinc/39/59/81/1008395981.db2.gz RTJGPFMJRXFIIE-LBPRGKRZSA-N 0 1 416.865 3.886 20 5 HHBDMN CSc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000518699311 1008396553 /nfs/dbraw/zinc/39/65/53/1008396553.db2.gz ZDTQWAJBSMGBGN-UHFFFAOYSA-N 0 1 403.279 3.880 20 5 HHBDMN COc1ccc([C@H]2CCCN2C(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000540381857 1008408924 /nfs/dbraw/zinc/40/89/24/1008408924.db2.gz YDDZXZYTWAUGOX-FOIQADDNSA-N 0 1 413.474 3.626 20 5 HHBDMN COC(=O)c1c(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCC2 ZINC000540477840 1008447485 /nfs/dbraw/zinc/44/74/85/1008447485.db2.gz VCQGRVJFHARZLX-GFCCVEGCSA-N 0 1 417.487 3.529 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCC(c3c[nH]c4ccc(OC)cc43)CC2)c1[N+](=O)[O-] ZINC000518869535 1008453790 /nfs/dbraw/zinc/45/37/90/1008453790.db2.gz BQFJUNZQKNTGQC-UHFFFAOYSA-N 0 1 411.462 3.780 20 5 HHBDMN COc1ccc(NC(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000543001455 1008580476 /nfs/dbraw/zinc/58/04/76/1008580476.db2.gz HXAPSPSQJWRYLR-UHFFFAOYSA-N 0 1 404.329 3.847 20 5 HHBDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543140735 1008713505 /nfs/dbraw/zinc/71/35/05/1008713505.db2.gz SFPSYVIJBVGENZ-LJQANCHMSA-N 0 1 424.501 3.577 20 5 HHBDMN CN(C)[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000543267606 1008840694 /nfs/dbraw/zinc/84/06/94/1008840694.db2.gz FPWANYWCEJPIFK-MRXNPFEDSA-N 0 1 411.886 3.899 20 5 HHBDMN CN(C)c1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2[nH]1 ZINC000549371061 1008952489 /nfs/dbraw/zinc/95/24/89/1008952489.db2.gz ITYPNIANEIIWLB-UHFFFAOYSA-N 0 1 404.224 3.552 20 5 HHBDMN C[C@@H](C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543537100 1009128392 /nfs/dbraw/zinc/12/83/92/1009128392.db2.gz MCCLLMWJUXHAPO-CQSZACIVSA-N 0 1 403.429 3.757 20 5 HHBDMN O=C(c1cccc2[nH]c(-c3cccs3)nc21)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000546131945 1009157769 /nfs/dbraw/zinc/15/77/69/1009157769.db2.gz KYTLEXMEBOONIK-UHFFFAOYSA-N 0 1 405.439 3.793 20 5 HHBDMN CC(C)c1ccc2c(c1)[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCCO2 ZINC000543598166 1009202941 /nfs/dbraw/zinc/20/29/41/1009202941.db2.gz RLNRQEQNORDAJS-HXUWFJFHSA-N 0 1 418.515 3.995 20 5 HHBDMN COc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)N2CCCC2)cc1 ZINC000543641202 1009244972 /nfs/dbraw/zinc/24/49/72/1009244972.db2.gz YVSKWPAAZXXFCE-IBGZPJMESA-N 0 1 402.426 3.701 20 5 HHBDMN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-n2cccn2)c(F)c1 ZINC000549828539 1009438156 /nfs/dbraw/zinc/43/81/56/1009438156.db2.gz ODUKZDABNBHZKG-GFCCVEGCSA-N 0 1 417.828 3.862 20 5 HHBDMN O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000549899276 1009520221 /nfs/dbraw/zinc/52/02/21/1009520221.db2.gz MPCOIONYIHJNPL-UHFFFAOYSA-N 0 1 405.838 3.510 20 5 HHBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000544124458 1009732489 /nfs/dbraw/zinc/73/24/89/1009732489.db2.gz YCGKHFYZZNTMFZ-CQSZACIVSA-N 0 1 422.478 3.647 20 5 HHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)c1 ZINC000520869962 1009922776 /nfs/dbraw/zinc/92/27/76/1009922776.db2.gz KWVFSMWRUZDBSB-UHFFFAOYSA-N 0 1 421.563 3.860 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000544361115 1009988818 /nfs/dbraw/zinc/98/88/18/1009988818.db2.gz SAMFXXWYWIBNNB-HNNXBMFYSA-N 0 1 405.336 3.560 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000544368840 1009997010 /nfs/dbraw/zinc/99/70/10/1009997010.db2.gz SVTFJMQBODVTNE-CQSZACIVSA-N 0 1 405.882 3.784 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000521028803 1010061812 /nfs/dbraw/zinc/06/18/12/1010061812.db2.gz FFRGETHTPMPASH-UHFFFAOYSA-N 0 1 403.382 3.789 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1cccc(COCc2ccco2)c1 ZINC000521155438 1010182732 /nfs/dbraw/zinc/18/27/32/1010182732.db2.gz ZPJSAXDJHLJODS-UHFFFAOYSA-N 0 1 420.418 3.522 20 5 HHBDMN C[C@@H](CCc1ccccc1[N+](=O)[O-])Nc1ccc2[nH]c(CCN3CCOCC3)nc2c1 ZINC000547363254 1010271056 /nfs/dbraw/zinc/27/10/56/1010271056.db2.gz QQUSJELPPHKWKM-KRWDZBQOSA-N 0 1 423.517 3.779 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000544665017 1010283970 /nfs/dbraw/zinc/28/39/70/1010283970.db2.gz QAJPHVKEXUCINF-CQSZACIVSA-N 0 1 424.784 3.839 20 5 HHBDMN O=[N+]([O-])c1cc(-c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)ccc1OC(F)F ZINC000544967572 1010526368 /nfs/dbraw/zinc/52/63/68/1010526368.db2.gz DMOALQANINVKNT-UHFFFAOYSA-N 0 1 414.328 3.622 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc([C@@H]4C[C@@H]4C)no3)cc2)cc1[N+](=O)[O-] ZINC000545067731 1010589675 /nfs/dbraw/zinc/58/96/75/1010589675.db2.gz POMDEXBMFQCRKH-BLLLJJGKSA-N 0 1 414.443 3.877 20 5 HHBDMN O=C(c1ccc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1)N1CCOCC1 ZINC000521831459 1010644840 /nfs/dbraw/zinc/64/48/40/1010644840.db2.gz UUSITANSIZNNEF-UHFFFAOYSA-N 0 1 421.453 3.617 20 5 HHBDMN CCCc1[nH]nc(C(=O)Nc2nnc([C@H](CC)c3ccccc3)s2)c1[N+](=O)[O-] ZINC000521904908 1010700063 /nfs/dbraw/zinc/70/00/63/1010700063.db2.gz KSEDTLHZIDCJLR-GFCCVEGCSA-N 0 1 400.464 3.916 20 5 HHBDMN C[C@H](N[C@@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000551719523 1010759906 /nfs/dbraw/zinc/75/99/06/1010759906.db2.gz ZJJYONBMBXDACE-APPDUMDISA-N 0 1 419.279 3.820 20 5 HHBDMN Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CCCN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000522284950 1010906300 /nfs/dbraw/zinc/90/63/00/1010906300.db2.gz IMGCTGHLNADWBR-IBGZPJMESA-N 0 1 419.485 3.636 20 5 HHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1C(F)(F)F ZINC000536141935 1011264558 /nfs/dbraw/zinc/26/45/58/1011264558.db2.gz ZPGSMRDIKCRYBE-UHFFFAOYSA-N 0 1 418.349 3.576 20 5 HHBDMN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000540850799 1011515370 /nfs/dbraw/zinc/51/53/70/1011515370.db2.gz DRYRSTLBINDSRZ-QGZVFWFLSA-N 0 1 421.457 3.555 20 5 HHBDMN CC(C)N(CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc(Br)ccc1F ZINC000536380091 1011588925 /nfs/dbraw/zinc/58/89/25/1011588925.db2.gz VIEPEPHLTVMHHA-UHFFFAOYSA-N 0 1 412.259 3.569 20 5 HHBDMN COc1ccc(NS(=O)(=O)c2cc(Br)ccc2Cl)cc1[N+](=O)[O-] ZINC000541070165 1011709633 /nfs/dbraw/zinc/70/96/33/1011709633.db2.gz DJJOJOBNJJPOQC-UHFFFAOYSA-N 0 1 421.656 3.820 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccccc1Cl ZINC000523223947 1011713228 /nfs/dbraw/zinc/71/32/28/1011713228.db2.gz CMZHHKLDIDLQPV-SFHVURJKSA-N 0 1 421.929 3.651 20 5 HHBDMN Cc1[nH]nc(C(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)no2)c1[N+](=O)[O-] ZINC000523366633 1011847121 /nfs/dbraw/zinc/84/71/21/1011847121.db2.gz XJZYDAXKJRTVMQ-UHFFFAOYSA-N 0 1 415.425 3.905 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 ZINC000551812150 1011969575 /nfs/dbraw/zinc/96/95/75/1011969575.db2.gz BSOJEQADBMZZNP-IQMFZBJNSA-N 0 1 422.485 3.979 20 5 HHBDMN Cn1ccnc1[C@H](NC[C@H](c1ccccc1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552040145 1012059939 /nfs/dbraw/zinc/05/99/39/1012059939.db2.gz FDTYAIOLVVCKNT-FGZHOGPDSA-N 0 1 405.502 3.844 20 5 HHBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000537050515 1012375190 /nfs/dbraw/zinc/37/51/90/1012375190.db2.gz PFWQJDRFEQYWAN-INIZCTEOSA-N 0 1 406.442 3.858 20 5 HHBDMN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000541591944 1012384423 /nfs/dbraw/zinc/38/44/23/1012384423.db2.gz VMBIQNSKYSWNTP-CQSZACIVSA-N 0 1 406.324 3.643 20 5 HHBDMN C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-c2cccnc2)cc1 ZINC000537133065 1012519409 /nfs/dbraw/zinc/51/94/09/1012519409.db2.gz CAOHFGQRHMVWBH-AWEZNQCLSA-N 0 1 420.425 3.675 20 5 HHBDMN COc1cc(C)c([C@@H](C)NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000537175574 1012581887 /nfs/dbraw/zinc/58/18/87/1012581887.db2.gz QDSJXOABRPQBDZ-JKSUJKDBSA-N 0 1 415.490 3.757 20 5 HHBDMN CO[C@@H](C)c1nc(CN2CCCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000541773154 1012640008 /nfs/dbraw/zinc/64/00/08/1012640008.db2.gz SMDKURPNTYYLJR-INIZCTEOSA-N 0 1 404.536 3.775 20 5 HHBDMN O=C(CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000537290512 1012749775 /nfs/dbraw/zinc/74/97/75/1012749775.db2.gz OHRODPIBXBHTLA-HXUWFJFHSA-N 0 1 417.849 3.699 20 5 HHBDMN CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n[nH]1 ZINC000541903087 1012762530 /nfs/dbraw/zinc/76/25/30/1012762530.db2.gz KYJFKJJBTHDEDJ-UHFFFAOYSA-N 0 1 412.427 3.898 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000537328021 1012785085 /nfs/dbraw/zinc/78/50/85/1012785085.db2.gz VYRHZNUGBBLSJQ-GOSISDBHSA-N 0 1 405.882 3.745 20 5 HHBDMN COCCCN1Cc2cccc(N[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)c2C1 ZINC000524136155 1012921896 /nfs/dbraw/zinc/92/18/96/1012921896.db2.gz KGUCMTGRKQTHBK-MRXNPFEDSA-N 0 1 412.490 3.694 20 5 HHBDMN COc1ccc(NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000542032346 1012929959 /nfs/dbraw/zinc/92/99/59/1012929959.db2.gz JOPCACSZLSSEGF-OAHLLOKOSA-N 0 1 408.418 3.758 20 5 HHBDMN COc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000542032346 1012929973 /nfs/dbraw/zinc/92/99/73/1012929973.db2.gz JOPCACSZLSSEGF-OAHLLOKOSA-N 0 1 408.418 3.758 20 5 HHBDMN COc1cccc([C@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)N2CCCC2)c1 ZINC000911903260 1072222674 /nfs/dbraw/zinc/22/26/74/1072222674.db2.gz RBWQHCRMXALDCF-IBGZPJMESA-N 0 1 403.866 3.824 20 5 HHBDMN COc1cc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)c([N+](=O)[O-])cc1OC(F)F ZINC000897588366 1072248060 /nfs/dbraw/zinc/24/80/60/1072248060.db2.gz ZGMOMECWNVMFBJ-UHFFFAOYSA-N 0 1 419.243 3.644 20 5 HHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(OC(F)F)c2)ccc1Br ZINC000760345002 1072267240 /nfs/dbraw/zinc/26/72/40/1072267240.db2.gz WVTZUXIPVOHZSU-UHFFFAOYSA-N 0 1 423.191 3.760 20 5 HHBDMN COc1cc(Br)cc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000760510912 1072457446 /nfs/dbraw/zinc/45/74/46/1072457446.db2.gz TWULBOZYXGTGKB-UHFFFAOYSA-N 0 1 421.656 3.820 20 5 HHBDMN Cc1[nH]ncc1C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000572024834 1073114718 /nfs/dbraw/zinc/11/47/18/1073114718.db2.gz DVUVNIMQLJDWKM-UHFFFAOYSA-N 0 1 400.482 3.592 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccco1 ZINC000555178416 1073222451 /nfs/dbraw/zinc/22/24/51/1073222451.db2.gz WUMOKAMZGONBHB-IBGZPJMESA-N 0 1 413.478 3.594 20 5 HHBDMN COc1cc(CN2CC[C@H](OC(F)F)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000555367631 1073376621 /nfs/dbraw/zinc/37/66/21/1073376621.db2.gz LVBOVZBPNIDOAP-KRWDZBQOSA-N 0 1 408.401 3.996 20 5 HHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC(Cc3cccc(C(F)(F)F)c3)C2)c1 ZINC000589960518 1073404489 /nfs/dbraw/zinc/40/44/89/1073404489.db2.gz CRKACQHLXBXWBB-SFHVURJKSA-N 0 1 410.392 3.528 20 5 HHBDMN COc1ccccc1-c1noc(C2CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)n1 ZINC000555461558 1073509532 /nfs/dbraw/zinc/50/95/32/1073509532.db2.gz MGMDJASXFLKCIX-UHFFFAOYSA-N 0 1 410.430 3.739 20 5 HHBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000590166140 1073610203 /nfs/dbraw/zinc/61/02/03/1073610203.db2.gz REXBKTKDBWJVOF-MRVPVSSYSA-N 0 1 421.219 3.675 20 5 HHBDMN O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000590356346 1073759748 /nfs/dbraw/zinc/75/97/48/1073759748.db2.gz NJRAKOIYKJBBFJ-UHFFFAOYSA-N 0 1 418.475 3.738 20 5 HHBDMN CCn1c(=O)[nH]nc1S[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000592994228 1075155528 /nfs/dbraw/zinc/15/55/28/1075155528.db2.gz XGLPAXCZDNWGBT-MRXNPFEDSA-N 0 1 413.459 3.692 20 5 HHBDMN C[C@@H](NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000574324224 1075221022 /nfs/dbraw/zinc/22/10/22/1075221022.db2.gz IEQRHLMXTFMQHR-OAHLLOKOSA-N 0 1 408.458 3.815 20 5 HHBDMN COCc1ccc(CNCc2cc(I)cc([N+](=O)[O-])c2)cc1 ZINC000574964634 1075434180 /nfs/dbraw/zinc/43/41/80/1075434180.db2.gz OOCXLXRAXZSFRD-UHFFFAOYSA-N 0 1 412.227 3.636 20 5 HHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]2C ZINC001164856180 720954889 /nfs/dbraw/zinc/95/48/89/720954889.db2.gz CDSQZKFQGBGJPF-LLVKDONJSA-N 0 1 413.309 3.915 20 5 HHBDMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001165023360 721838239 /nfs/dbraw/zinc/83/82/39/721838239.db2.gz VQKNVUYYZWHOOI-UHFFFAOYSA-N 0 1 420.897 3.761 20 5 HHBDMN Cc1ccc(CN2CCOC3(CCN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)CC3)C2)cc1 ZINC001164939046 721929161 /nfs/dbraw/zinc/92/91/61/721929161.db2.gz HWNBAXVXVQSIBO-UHFFFAOYSA-N 0 1 421.501 3.651 20 5 HHBDMN O=[N+]([O-])c1ccc(N2CCN(CCc3ccccn3)CC2)nc1-c1ccc(F)cc1 ZINC001165054828 722020606 /nfs/dbraw/zinc/02/06/06/722020606.db2.gz FCULUXHWQZUTRW-UHFFFAOYSA-N 0 1 407.449 3.556 20 5 HHBDMN CN(C)[C@@H](CNc1ccc(I)cc1[N+](=O)[O-])c1ccco1 ZINC000301178611 970789932 /nfs/dbraw/zinc/78/99/32/970789932.db2.gz NYIVGJZFPIEINF-ZDUSSCGKSA-N 0 1 401.204 3.507 20 5 HHBDMN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC000301227657 970819694 /nfs/dbraw/zinc/81/96/94/970819694.db2.gz HNTDXUIIBGAEHS-LBPRGKRZSA-N 0 1 407.820 3.816 20 5 HHBDMN CC(C)c1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CC2)cc1 ZINC000301367443 970889889 /nfs/dbraw/zinc/88/98/89/970889889.db2.gz QXOSENKFFWNPAK-UHFFFAOYSA-N 0 1 424.501 3.997 20 5 HHBDMN O=[N+]([O-])c1cnc(N2CCCN(CCCc3ccccc3)CC2)c(Br)c1 ZINC000301567040 970983526 /nfs/dbraw/zinc/98/35/26/970983526.db2.gz VTXWSBQQCWTVGC-UHFFFAOYSA-N 0 1 419.323 3.897 20 5 HHBDMN O=[N+]([O-])c1cc(Br)cnc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000301712811 971038788 /nfs/dbraw/zinc/03/87/88/971038788.db2.gz YLWSMZLLYDJLGV-UHFFFAOYSA-N 0 1 409.259 3.604 20 5 HHBDMN CCC[C@@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000301983120 971142504 /nfs/dbraw/zinc/14/25/04/971142504.db2.gz BSWHBQFKVNUGFD-QGZVFWFLSA-N 0 1 407.474 3.735 20 5 HHBDMN CCOc1ccccc1C(=O)N1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000302200727 971205932 /nfs/dbraw/zinc/20/59/32/971205932.db2.gz VBFLZKJSQRBHDR-UHFFFAOYSA-N 0 1 420.469 3.813 20 5 HHBDMN C[C@H]1CCCCN1Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302613470 971264093 /nfs/dbraw/zinc/26/40/93/971264093.db2.gz FNTCHRUGFJFQHQ-INIZCTEOSA-N 0 1 417.531 3.985 20 5 HHBDMN C[C@H]1CCCN(Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302680766 971277800 /nfs/dbraw/zinc/27/78/00/971277800.db2.gz WPWHEAMEHSRKJO-INIZCTEOSA-N 0 1 417.531 3.842 20 5 HHBDMN COc1cc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000303266172 971587553 /nfs/dbraw/zinc/58/75/53/971587553.db2.gz DXNZAPIPSOWPHM-UHFFFAOYSA-N 0 1 417.893 3.899 20 5 HHBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCc1ccc(Br)cc1 ZINC000303317329 971625273 /nfs/dbraw/zinc/62/52/73/971625273.db2.gz QKPGFSBIGDJBSF-ZDUSSCGKSA-N 0 1 406.280 3.859 20 5 HHBDMN CN(CCCc1cc(-c2ccccc2)no1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000303321896 971628354 /nfs/dbraw/zinc/62/83/54/971628354.db2.gz AFFGLYIHJLKMFY-JOCHJYFZSA-N 0 1 420.469 3.920 20 5 HHBDMN CCC(C)(CC)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000303612822 971898989 /nfs/dbraw/zinc/89/89/89/971898989.db2.gz RFJBLPCNXPKRTM-UHFFFAOYSA-N 0 1 405.476 3.704 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)cc1 ZINC000303623390 971906941 /nfs/dbraw/zinc/90/69/41/971906941.db2.gz NJXBIPSHLJFVCQ-HHHXNRCGSA-N 0 1 416.480 3.703 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000303651106 971930232 /nfs/dbraw/zinc/93/02/32/971930232.db2.gz KLCMMOGCVIOUIS-MRXNPFEDSA-N 0 1 417.531 3.661 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000553179705 1013138911 /nfs/dbraw/zinc/13/89/11/1013138911.db2.gz IUGFYAIHUZWTIV-OAHLLOKOSA-N 0 1 415.471 3.999 20 5 HHBDMN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000553183834 1013142694 /nfs/dbraw/zinc/14/26/94/1013142694.db2.gz NGZNVHNONNACOS-PIGZYNQJSA-N 0 1 410.348 3.921 20 5 HHBDMN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H](c1ccco1)N1CCCC1 ZINC000537604659 1013146024 /nfs/dbraw/zinc/14/60/24/1013146024.db2.gz ADVHQFICYCGBAB-QGZVFWFLSA-N 0 1 406.870 3.520 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000537652487 1013214136 /nfs/dbraw/zinc/21/41/36/1013214136.db2.gz QWNAFBGSXFEYHF-UHFFFAOYSA-N 0 1 408.329 3.700 20 5 HHBDMN Cc1[nH]nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3I)ccc12 ZINC000537704936 1013270492 /nfs/dbraw/zinc/27/04/92/1013270492.db2.gz BTMWUFJGQGGHDB-UHFFFAOYSA-N 0 1 422.182 3.636 20 5 HHBDMN COc1ccc([C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 ZINC000015387698 962744257 /nfs/dbraw/zinc/74/42/57/962744257.db2.gz HYVRLWCWHKYGTA-FQEVSTJZSA-N 0 1 415.515 3.649 20 5 HHBDMN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000017167515 963166809 /nfs/dbraw/zinc/16/68/09/963166809.db2.gz XNRZCBFIAAKMKW-HUUCEWRRSA-N 0 1 417.487 3.514 20 5 HHBDMN CC(C)[NH+]1CCC(Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000017281399 963176900 /nfs/dbraw/zinc/17/69/00/963176900.db2.gz CNVCOHLORRTFGF-UHFFFAOYSA-N 0 1 418.519 3.680 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000017911486 963239618 /nfs/dbraw/zinc/23/96/18/963239618.db2.gz FMIMXOUNCQIXJN-LJQANCHMSA-N 0 1 403.866 3.824 20 5 HHBDMN COc1cccc([C@@H]2[C@H](Nc3ncnc4sc([N+](=O)[O-])cc43)CC[N@H+]2C2CC2)c1 ZINC000553518853 1013417789 /nfs/dbraw/zinc/41/77/89/1013417789.db2.gz NQFZBYRXWUWDME-SJLPKXTDSA-N 0 1 411.487 3.998 20 5 HHBDMN CCCN(CC1CC1)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000021784857 963536725 /nfs/dbraw/zinc/53/67/25/963536725.db2.gz IRUUUNIAHWAHEW-UHFFFAOYSA-N 0 1 417.487 3.658 20 5 HHBDMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000022034553 963582290 /nfs/dbraw/zinc/58/22/90/963582290.db2.gz UZZYJXKSAMSQPZ-UHFFFAOYSA-N 0 1 419.850 3.773 20 5 HHBDMN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000553543257 1013439351 /nfs/dbraw/zinc/43/93/51/1013439351.db2.gz VSXVFUMHQHXENZ-ZETCQYMHSA-N 0 1 410.666 3.990 20 5 HHBDMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000542530444 1013472834 /nfs/dbraw/zinc/47/28/34/1013472834.db2.gz FVVIQZIUFGZFQS-LLVKDONJSA-N 0 1 413.400 3.568 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@H](C)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000025512695 964290741 /nfs/dbraw/zinc/29/07/41/964290741.db2.gz QDDSESYVKQZSLJ-CQSZACIVSA-N 0 1 417.487 3.575 20 5 HHBDMN COc1ccc(NC(=O)CCN[C@@H](c2ccccc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000026230654 964495631 /nfs/dbraw/zinc/49/56/31/964495631.db2.gz KKUQNYXPWPNNEJ-QFIPXVFZSA-N 0 1 406.442 3.706 20 5 HHBDMN CC[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000027155372 964803781 /nfs/dbraw/zinc/80/37/81/964803781.db2.gz SAXJXPRHMKLDGD-OAHLLOKOSA-N 0 1 417.487 3.658 20 5 HHBDMN CNc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)cc1[N+](=O)[O-] ZINC000027667399 964940049 /nfs/dbraw/zinc/94/00/49/964940049.db2.gz LNCHRVLLNGYZPI-OAQYLSRUSA-N 0 1 412.490 3.602 20 5 HHBDMN COc1ccc(NC(=O)CCN(C)Cc2cc(Cl)ccc2OC)c([N+](=O)[O-])c1 ZINC000027739556 964955349 /nfs/dbraw/zinc/95/53/49/964955349.db2.gz JPDYJTRVBIUJLA-UHFFFAOYSA-N 0 1 407.854 3.726 20 5 HHBDMN CCN(CCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000052968172 965032508 /nfs/dbraw/zinc/03/25/08/965032508.db2.gz NBPQVUNUTCUTAL-UHFFFAOYSA-N 0 1 406.280 3.860 20 5 HHBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cccc1[N+](=O)[O-] ZINC000028351253 965083019 /nfs/dbraw/zinc/08/30/19/965083019.db2.gz FJEUBTXOFSVPSI-GJZGRUSLSA-N 0 1 410.474 3.930 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)cc1 ZINC000028857126 965203072 /nfs/dbraw/zinc/20/30/72/965203072.db2.gz KVKOEEFGYWUFRS-UHFFFAOYSA-N 0 1 409.449 3.887 20 5 HHBDMN CC[C@@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537986444 1013561103 /nfs/dbraw/zinc/56/11/03/1013561103.db2.gz HVWCXVLWNFWMOW-HXUWFJFHSA-N 0 1 403.504 3.620 20 5 HHBDMN CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000057301103 965392055 /nfs/dbraw/zinc/39/20/55/965392055.db2.gz CDYCSAYILPMMRC-ZIAGYGMSSA-N 0 1 405.476 3.560 20 5 HHBDMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000058379584 965713070 /nfs/dbraw/zinc/71/30/70/965713070.db2.gz LLEBLZRJOMKKGI-UHFFFAOYSA-N 0 1 421.431 3.849 20 5 HHBDMN CCOc1ccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000058531065 965771320 /nfs/dbraw/zinc/77/13/20/965771320.db2.gz ZEHFHIMJEKDNEE-UHFFFAOYSA-N 0 1 401.438 3.527 20 5 HHBDMN CN(C(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 ZINC000055650422 965995473 /nfs/dbraw/zinc/99/54/73/965995473.db2.gz LRQBFFRWPJHCNR-UHFFFAOYSA-N 0 1 411.439 3.672 20 5 HHBDMN C[C@H](N(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(C)(C)C ZINC000031408336 966006658 /nfs/dbraw/zinc/00/66/58/966006658.db2.gz YDWWULSZPTYWID-AWEZNQCLSA-N 0 1 419.503 3.902 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(C[NH+]3CCCC3)ccc2C)c1 ZINC000542714388 1013626815 /nfs/dbraw/zinc/62/68/15/1013626815.db2.gz BYVQGCIVMNTWTF-UHFFFAOYSA-N 0 1 403.504 3.917 20 5 HHBDMN O=C(NCC1(N2CCSCC2)CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000031960136 966162669 /nfs/dbraw/zinc/16/26/69/966162669.db2.gz JWNWRPQNOFTUAU-UHFFFAOYSA-N 0 1 405.545 3.901 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000056154195 966236993 /nfs/dbraw/zinc/23/69/93/966236993.db2.gz MZLROVHWPXFIGZ-KBPBESRZSA-N 0 1 417.462 3.607 20 5 HHBDMN COc1cc(C)c([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000056153849 966237012 /nfs/dbraw/zinc/23/70/12/966237012.db2.gz KGWHGYCQAWNJIM-CABCVRRESA-N 0 1 401.463 3.907 20 5 HHBDMN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196456 966254693 /nfs/dbraw/zinc/25/46/93/966254693.db2.gz YRHXTHPXKWQAIB-CVEARBPZSA-N 0 1 412.490 3.755 20 5 HHBDMN CCOc1cc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC000032762119 966324918 /nfs/dbraw/zinc/32/49/18/966324918.db2.gz ZMHNXRXNQAGQMB-MRXNPFEDSA-N 0 1 419.503 3.631 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)[nH]c2c1 ZINC000060919697 966327106 /nfs/dbraw/zinc/32/71/06/966327106.db2.gz QEIKNIGMNBZXOP-GOSISDBHSA-N 0 1 414.487 3.922 20 5 HHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000032892223 966344658 /nfs/dbraw/zinc/34/46/58/966344658.db2.gz QAKDWZJVEIOCTJ-INIZCTEOSA-N 0 1 414.531 3.774 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000056458998 966344955 /nfs/dbraw/zinc/34/49/55/966344955.db2.gz LNXDYMTVBJHXRP-FQEVSTJZSA-N 0 1 412.490 3.630 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)[nH]c2c1 ZINC000061229894 966403400 /nfs/dbraw/zinc/40/34/00/966403400.db2.gz NAMQMHOVCBHOSZ-HXUWFJFHSA-N 0 1 416.441 3.943 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000041781656 966631737 /nfs/dbraw/zinc/63/17/37/966631737.db2.gz YXGRXHSZOKKDKL-OAHLLOKOSA-N 0 1 417.487 3.719 20 5 HHBDMN Cc1csc([C@H](C)CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000542761330 1013666646 /nfs/dbraw/zinc/66/66/46/1013666646.db2.gz XXLRXSMRCLNVFC-SSDOTTSWSA-N 0 1 410.304 3.749 20 5 HHBDMN O=C(c1cc2ccccc2c2cccnc12)N1CCC(CCN2CCOCC2)CC1 ZINC000064346895 967150226 /nfs/dbraw/zinc/15/02/26/967150226.db2.gz BCQYAEHXWREPQL-UHFFFAOYSA-N 0 1 403.526 3.963 20 5 HHBDMN COc1ccc(CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C2CC2)cc1 ZINC000064641462 967256046 /nfs/dbraw/zinc/25/60/46/967256046.db2.gz KXUISPWORYXARJ-MRXNPFEDSA-N 0 1 409.486 3.793 20 5 HHBDMN CC[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1OC(F)F ZINC000538155345 1013716293 /nfs/dbraw/zinc/71/62/93/1013716293.db2.gz URESEHZZSOWRGP-INIZCTEOSA-N 0 1 405.401 3.826 20 5 HHBDMN O=C(NC1CCN(Cc2ccccn2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000065109989 967382163 /nfs/dbraw/zinc/38/21/63/967382163.db2.gz OQCNXDSYABFLHV-UHFFFAOYSA-N 0 1 423.498 3.508 20 5 HHBDMN CCOc1ccc([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OCC ZINC000538168189 1013728738 /nfs/dbraw/zinc/72/87/38/1013728738.db2.gz QZUPSCBVRRDDOG-HNNXBMFYSA-N 0 1 401.463 3.990 20 5 HHBDMN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000538164148 1013725325 /nfs/dbraw/zinc/72/53/25/1013725325.db2.gz VUCCWBYFQZLHPE-ZDUSSCGKSA-N 0 1 411.380 3.850 20 5 HHBDMN Cc1cccc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)c1[N+](=O)[O-] ZINC000045941226 967601961 /nfs/dbraw/zinc/60/19/61/967601961.db2.gz PGSYBDRUFNEOEB-UHFFFAOYSA-N 0 1 410.474 3.970 20 5 HHBDMN C[C@H]1CN(Cc2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000046624166 967888787 /nfs/dbraw/zinc/88/87/87/967888787.db2.gz JPCIACYNBHYFKJ-GJZGRUSLSA-N 0 1 417.893 3.787 20 5 HHBDMN O=C(Nc1ccc(Br)cn1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000047262045 968109190 /nfs/dbraw/zinc/10/91/90/968109190.db2.gz OAHRIDZOWJZNKA-UHFFFAOYSA-N 0 1 419.279 3.603 20 5 HHBDMN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(-c2cccnc2)cc1 ZINC000538224179 1013773893 /nfs/dbraw/zinc/77/38/93/1013773893.db2.gz PFLXDIJHNIOSQY-MRXNPFEDSA-N 0 1 402.454 3.897 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC000047608583 968257264 /nfs/dbraw/zinc/25/72/64/968257264.db2.gz FFBQNYUAYZSMHC-UONOGXRCSA-N 0 1 417.462 3.689 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)N(C)C)c1 ZINC000069366718 968831065 /nfs/dbraw/zinc/83/10/65/968831065.db2.gz NPQRFCNTUNCMKX-IFXJQAMLSA-N 0 1 403.504 3.503 20 5 HHBDMN O=C(Nc1nnc(C(F)(F)F)s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000071968510 968915229 /nfs/dbraw/zinc/91/52/29/968915229.db2.gz DBNRZYVJATVZCY-UHFFFAOYSA-N 0 1 416.259 3.659 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccccc2Sc2nccn2C)cc1[N+](=O)[O-] ZINC000072095874 968989125 /nfs/dbraw/zinc/98/91/25/968989125.db2.gz PGZTVPAHLGFMIY-UHFFFAOYSA-N 0 1 404.473 3.589 20 5 HHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2nnc3ccccn32)CC1 ZINC000096955694 969063222 /nfs/dbraw/zinc/06/32/22/969063222.db2.gz YLACYSBMAXPYQN-AWEZNQCLSA-N 0 1 419.445 3.628 20 5 HHBDMN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000097043560 969084152 /nfs/dbraw/zinc/08/41/52/969084152.db2.gz BZDYMDMPRZQOOL-UHFFFAOYSA-N 0 1 421.419 3.891 20 5 HHBDMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000104613364 969203467 /nfs/dbraw/zinc/20/34/67/969203467.db2.gz UQSMWNKVIMPPBN-UHFFFAOYSA-N 0 1 419.850 3.773 20 5 HHBDMN C[C@H](Nc1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000108785181 969419191 /nfs/dbraw/zinc/41/91/91/969419191.db2.gz REMGYVNUAOIJRB-KRWDZBQOSA-N 0 1 423.517 3.863 20 5 HHBDMN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000110293789 969649186 /nfs/dbraw/zinc/64/91/86/969649186.db2.gz TXFGCZDMGXNKFU-ZWKOTPCHSA-N 0 1 417.531 3.655 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Sc1nccn1C ZINC000111118411 969779799 /nfs/dbraw/zinc/77/97/99/969779799.db2.gz FULJISXMTAOGRC-UHFFFAOYSA-N 0 1 404.473 3.589 20 5 HHBDMN CCS(=O)(=O)C[C@H](C)NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000237011389 970207102 /nfs/dbraw/zinc/20/71/02/970207102.db2.gz DXRLNAKLAUCWII-HNNXBMFYSA-N 0 1 408.545 3.967 20 5 HHBDMN COc1cc(CNCCOc2cccc(Br)c2)c([N+](=O)[O-])cc1OC ZINC000237183260 970237548 /nfs/dbraw/zinc/23/75/48/970237548.db2.gz SAORKNUATZKNES-UHFFFAOYSA-N 0 1 411.252 3.543 20 5 HHBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CCSCC2)c1 ZINC000146041354 970278768 /nfs/dbraw/zinc/27/87/68/970278768.db2.gz UCZDVSAKHJAGIP-UHFFFAOYSA-N 0 1 414.531 3.974 20 5 HHBDMN NC(=O)COc1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000237885577 970388926 /nfs/dbraw/zinc/38/89/26/970388926.db2.gz BKIYJNYILKNYLC-UHFFFAOYSA-N 0 1 415.833 3.662 20 5 HHBDMN CCN1CCN(c2ccc(CNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cn2)CC1 ZINC000301111448 970753911 /nfs/dbraw/zinc/75/39/11/970753911.db2.gz RPTOQTPCFPEPAK-UHFFFAOYSA-N 0 1 409.412 3.763 20 5 HHBDMN Cc1cc(Br)c(F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000322222607 972699144 /nfs/dbraw/zinc/69/91/44/972699144.db2.gz UVXNWQPCFZVOBK-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN COC(=O)[C@H](C)Oc1ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000425957977 974063119 /nfs/dbraw/zinc/06/31/19/974063119.db2.gz DKVFDOUHGYFSAC-LBPRGKRZSA-N 0 1 412.364 3.844 20 5 HHBDMN COc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1OCc1ccncc1 ZINC000425977805 974086387 /nfs/dbraw/zinc/08/63/87/974086387.db2.gz WMYGSQMIRLJMFT-UHFFFAOYSA-N 0 1 423.473 3.611 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)N(C)C)c1 ZINC000426258618 974352164 /nfs/dbraw/zinc/35/21/64/974352164.db2.gz VHOMEQNVZORCLL-OAQYLSRUSA-N 0 1 412.490 3.580 20 5 HHBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)n1 ZINC000427391877 975091450 /nfs/dbraw/zinc/09/14/50/975091450.db2.gz PXJRXCUFHHVXGI-UHFFFAOYSA-N 0 1 403.402 3.516 20 5 HHBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)n1 ZINC000427391877 975091456 /nfs/dbraw/zinc/09/14/56/975091456.db2.gz PXJRXCUFHHVXGI-UHFFFAOYSA-N 0 1 403.402 3.516 20 5 HHBDMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000431920703 978602327 /nfs/dbraw/zinc/60/23/27/978602327.db2.gz FNQUBOIAFPBCHG-HOCLYGCPSA-N 0 1 423.922 3.580 20 5 HHBDMN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432461045 978824478 /nfs/dbraw/zinc/82/44/78/978824478.db2.gz HAAGAKORIFAAFT-ZIAGYGMSSA-N 0 1 411.458 3.979 20 5 HHBDMN CC1(C)C[C@@H](NCc2cccc(N3CCCS3(=O)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433230166 979163534 /nfs/dbraw/zinc/16/35/34/979163534.db2.gz UBHPMZCMAITEQJ-HXUWFJFHSA-N 0 1 415.515 3.647 20 5 HHBDMN COc1cc(Br)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000433809511 979590723 /nfs/dbraw/zinc/59/07/23/979590723.db2.gz VRIMVBWKAJZPQJ-UHFFFAOYSA-N 0 1 421.656 3.820 20 5 HHBDMN COc1ccc(CCC2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC2)cc1 ZINC000433871508 979639768 /nfs/dbraw/zinc/63/97/68/979639768.db2.gz CYHBTYGFXRWHLG-UHFFFAOYSA-N 0 1 400.479 3.935 20 5 HHBDMN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(c4cnc[nH]4)CC3)cc2[N+](=O)[O-])C1 ZINC000434286914 980047704 /nfs/dbraw/zinc/04/77/04/980047704.db2.gz LFJBEZSTRHADNR-HOTGVXAUSA-N 0 1 411.506 3.820 20 5 HHBDMN C[C@H](Nc1ccc(C(=O)N2CCC(c3cnc[nH]3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000434293549 980053315 /nfs/dbraw/zinc/05/33/15/980053315.db2.gz PXBLTVDMOPFCAU-HNNXBMFYSA-N 0 1 420.473 3.906 20 5 HHBDMN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000434427297 980167364 /nfs/dbraw/zinc/16/73/64/980167364.db2.gz ZUNFHZPOKZELHD-INIZCTEOSA-N 0 1 411.452 3.706 20 5 HHBDMN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1F ZINC000435143515 980675237 /nfs/dbraw/zinc/67/52/37/980675237.db2.gz RJDAQGJIOPKERK-UHFFFAOYSA-N 0 1 410.814 3.682 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000435635979 980969974 /nfs/dbraw/zinc/96/99/74/980969974.db2.gz IGOOTQHIGNRSMT-LJQANCHMSA-N 0 1 413.474 3.569 20 5 HHBDMN COc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000435668320 980979795 /nfs/dbraw/zinc/97/97/95/980979795.db2.gz XJSNNQSBLPYAIB-INIZCTEOSA-N 0 1 403.504 3.868 20 5 HHBDMN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 ZINC000435889951 981078873 /nfs/dbraw/zinc/07/88/73/981078873.db2.gz QPYLSOUHAUHHFA-SJCJKPOMSA-N 0 1 404.264 3.813 20 5 HHBDMN COc1ccc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)cc1[N+](=O)[O-] ZINC000436046502 981177823 /nfs/dbraw/zinc/17/78/23/981177823.db2.gz CLHLTPOIHVCFAK-UHFFFAOYSA-N 0 1 422.485 3.963 20 5 HHBDMN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436134158 981214161 /nfs/dbraw/zinc/21/41/61/981214161.db2.gz PHKQADULJOMKBP-ZIAGYGMSSA-N 0 1 413.468 3.810 20 5 HHBDMN C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(C)CC1 ZINC000436320415 981296744 /nfs/dbraw/zinc/29/67/44/981296744.db2.gz VVBBFYGHFCNDLA-AWEZNQCLSA-N 0 1 413.468 3.810 20 5 HHBDMN CC(=O)c1ccc(O)c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1 ZINC000436681583 981508969 /nfs/dbraw/zinc/50/89/69/981508969.db2.gz RXWYSNKRRGEHJM-UHFFFAOYSA-N 0 1 408.414 3.617 20 5 HHBDMN Cc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000436975016 981660232 /nfs/dbraw/zinc/66/02/32/981660232.db2.gz FRNSGRSMFDOWFE-GOSISDBHSA-N 0 1 421.457 3.505 20 5 HHBDMN C[N@H+]1CC[C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436986482 981668629 /nfs/dbraw/zinc/66/86/29/981668629.db2.gz JTXIEAGUPIPSJC-ACJLOTCBSA-N 0 1 407.829 3.516 20 5 HHBDMN COc1ccc(-c2ccc(CN3C[C@H](C)O[C@]4(CCO[C@H]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000448362976 981724566 /nfs/dbraw/zinc/72/45/66/981724566.db2.gz PLUTWTNZYPAUKZ-VFCRVFHLSA-N 0 1 402.447 3.632 20 5 HHBDMN C[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCN1Cc1ccccc1 ZINC000437484595 982112082 /nfs/dbraw/zinc/11/20/82/982112082.db2.gz VYFGVNAAZVRCNS-GOSISDBHSA-N 0 1 419.485 3.517 20 5 HHBDMN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1ccc2nc(C)[nH]c2c1 ZINC000460442819 982233649 /nfs/dbraw/zinc/23/36/49/982233649.db2.gz KLCOQGVEXPGBHZ-UHFFFAOYSA-N 0 1 421.413 3.721 20 5 HHBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000438626717 982947080 /nfs/dbraw/zinc/94/70/80/982947080.db2.gz PJCAJLVGAOPBHV-HNNXBMFYSA-N 0 1 407.220 3.659 20 5 HHBDMN CC(=O)c1ccc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc1 ZINC000438784067 983069099 /nfs/dbraw/zinc/06/90/99/983069099.db2.gz GMNVOMCIVRNJCP-UHFFFAOYSA-N 0 1 413.249 3.669 20 5 HHBDMN CC(=O)Nc1ccc(F)c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000438789930 983072102 /nfs/dbraw/zinc/07/21/02/983072102.db2.gz YFZJGJHWXFIHRN-UHFFFAOYSA-N 0 1 422.221 3.800 20 5 HHBDMN CCOc1cccc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000438804959 983081951 /nfs/dbraw/zinc/08/19/51/983081951.db2.gz KOZACUFQLJIPCO-UHFFFAOYSA-N 0 1 415.265 3.865 20 5 HHBDMN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000439014666 983210663 /nfs/dbraw/zinc/21/06/63/983210663.db2.gz ITNVLQZZHAQONU-FDPIWHGQSA-N 0 1 400.479 3.796 20 5 HHBDMN COc1cc(C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)cc([N+](=O)[O-])c1OC ZINC000439070661 983236163 /nfs/dbraw/zinc/23/61/63/983236163.db2.gz WRLSXNGBDLSWDJ-UHFFFAOYSA-N 0 1 419.397 3.803 20 5 HHBDMN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000439097537 983249093 /nfs/dbraw/zinc/24/90/93/983249093.db2.gz FQHHWZQKLOUNHN-UHFFFAOYSA-N 0 1 404.854 3.506 20 5 HHBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000440301043 983711258 /nfs/dbraw/zinc/71/12/58/983711258.db2.gz CLBYJBQOTPTLRD-UHFFFAOYSA-N 0 1 411.487 3.853 20 5 HHBDMN CCCOc1ccc2c(c1)CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C2 ZINC000441082727 984059809 /nfs/dbraw/zinc/05/98/09/984059809.db2.gz YGUNSLUHTOFVQD-UHFFFAOYSA-N 0 1 413.474 3.779 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000441540259 984312052 /nfs/dbraw/zinc/31/20/52/984312052.db2.gz AYALUOYEQMVXHB-MRXNPFEDSA-N 0 1 406.851 3.650 20 5 HHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441659134 984379328 /nfs/dbraw/zinc/37/93/28/984379328.db2.gz OEMDHJUNEURRAU-DXIQSLLYSA-N 0 1 409.486 3.941 20 5 HHBDMN Cc1cc(N2CC[C@@H](NCc3cccc([N+](=O)[O-])c3)C2=O)ccc1Br ZINC000462361920 985349281 /nfs/dbraw/zinc/34/92/81/985349281.db2.gz ZGPHEHGBAVTYCF-QGZVFWFLSA-N 0 1 404.264 3.561 20 5 HHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c2cccnc21 ZINC000462371205 985356648 /nfs/dbraw/zinc/35/66/48/985356648.db2.gz VGJQUHVVVTWTGI-UHFFFAOYSA-N 0 1 413.333 3.842 20 5 HHBDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1Cl ZINC000462383575 985366932 /nfs/dbraw/zinc/36/69/32/985366932.db2.gz KENAENUYURSMSK-UHFFFAOYSA-N 0 1 420.834 3.556 20 5 HHBDMN C[C@@H]1CCCC[C@@H]1OCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462542598 985490540 /nfs/dbraw/zinc/49/05/40/985490540.db2.gz NTWDQIUSYXDBGO-YGRLFVJLSA-N 0 1 411.307 3.775 20 5 HHBDMN CCOc1cccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000462546761 985495038 /nfs/dbraw/zinc/49/50/38/985495038.db2.gz REYPWHTVMYLDCH-UHFFFAOYSA-N 0 1 405.259 3.779 20 5 HHBDMN COc1ccc(-c2ccc(CNS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cc2)cc1 ZINC000462711971 985657683 /nfs/dbraw/zinc/65/76/83/985657683.db2.gz TUBHGDGENGJTCK-UHFFFAOYSA-N 0 1 416.430 3.888 20 5 HHBDMN CC[C@]1(C)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000468259889 985961507 /nfs/dbraw/zinc/96/15/07/985961507.db2.gz IVXVWQMCMWJODW-HXUWFJFHSA-N 0 1 417.487 3.658 20 5 HHBDMN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000443944540 986152073 /nfs/dbraw/zinc/15/20/73/986152073.db2.gz UXEVPTJGKVMENI-CPCISQLKSA-N 0 1 419.219 3.613 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000443952357 986160075 /nfs/dbraw/zinc/16/00/75/986160075.db2.gz WOJBRVQKOWPWAM-CALCHBBNSA-N 0 1 418.538 3.955 20 5 HHBDMN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000468486544 986185006 /nfs/dbraw/zinc/18/50/06/986185006.db2.gz HOHWCBPTKKEQGD-GOSISDBHSA-N 0 1 413.468 3.810 20 5 HHBDMN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CC[C@@H](N2CCCCC2)C1 ZINC000444013297 986207262 /nfs/dbraw/zinc/20/72/62/986207262.db2.gz XGOSPXBZENVEDO-MRXNPFEDSA-N 0 1 411.452 3.660 20 5 HHBDMN CC[C@H]1CCCCN1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444027366 986222029 /nfs/dbraw/zinc/22/20/29/986222029.db2.gz CGRPBOSRLNWITP-INIZCTEOSA-N 0 1 413.468 3.954 20 5 HHBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCc1cccc(Br)c1 ZINC000463416562 986387579 /nfs/dbraw/zinc/38/75/79/986387579.db2.gz BHKLOUFUBCMIEV-ZDUSSCGKSA-N 0 1 406.280 3.859 20 5 HHBDMN COc1ccc(-c2n[nH]c(SCc3cc(OC)c(F)cc3[N+](=O)[O-])n2)c(OC)c1 ZINC000463430970 986403346 /nfs/dbraw/zinc/40/33/46/986403346.db2.gz QJVOCPKGUJPRJO-UHFFFAOYSA-N 0 1 420.422 3.837 20 5 HHBDMN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000444295181 986481963 /nfs/dbraw/zinc/48/19/63/986481963.db2.gz DRCICUNNLSGTOQ-MRXNPFEDSA-N 0 1 413.481 3.697 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cccc(Oc3ccncc3)c2)ccc1[N+](=O)[O-] ZINC000468779314 986491864 /nfs/dbraw/zinc/49/18/64/986491864.db2.gz BSIQPONUNLOQBH-UHFFFAOYSA-N 0 1 401.400 3.592 20 5 HHBDMN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444320043 986501260 /nfs/dbraw/zinc/50/12/60/986501260.db2.gz STGJHBAHRBUKIQ-MZNJEOGPSA-N 0 1 411.505 3.932 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000444375151 986551404 /nfs/dbraw/zinc/55/14/04/986551404.db2.gz ZUQHNKDYOHUVET-CYBMUJFWSA-N 0 1 414.409 3.829 20 5 HHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)cccc21 ZINC000469049140 986759295 /nfs/dbraw/zinc/75/92/95/986759295.db2.gz NDLFRPGCZNCEGX-CQSZACIVSA-N 0 1 407.373 3.834 20 5 HHBDMN COC(=O)c1cc(NS(=O)(=O)c2ccc(SC)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000463789761 986781622 /nfs/dbraw/zinc/78/16/22/986781622.db2.gz OEHCAPSVPILSOM-UHFFFAOYSA-N 0 1 416.864 3.558 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000469106137 986822683 /nfs/dbraw/zinc/82/26/83/986822683.db2.gz YWFHCYKELPVWDW-UHFFFAOYSA-N 0 1 401.400 3.592 20 5 HHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cccc21 ZINC000469132065 986851747 /nfs/dbraw/zinc/85/17/47/986851747.db2.gz STGQJUZFMSNKDV-HNNXBMFYSA-N 0 1 407.373 3.834 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)n2)o1 ZINC000444745466 986909895 /nfs/dbraw/zinc/90/98/95/986909895.db2.gz USNDODCSEMNLRS-UHFFFAOYSA-N 0 1 403.373 3.759 20 5 HHBDMN Cc1cc(C)n(-c2ccc([C@H](C)NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cc2)n1 ZINC000469204932 986928104 /nfs/dbraw/zinc/92/81/04/986928104.db2.gz PBNQEDMOMDOAJQ-AWEZNQCLSA-N 0 1 418.450 3.576 20 5 HHBDMN O=C(NCCCN1CCc2ccccc2C1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444844978 987003483 /nfs/dbraw/zinc/00/34/83/987003483.db2.gz DRFXDJJUJSDTFS-UHFFFAOYSA-N 0 1 411.505 3.860 20 5 HHBDMN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)N1CCc2[nH]nnc2C1 ZINC000469417206 987106503 /nfs/dbraw/zinc/10/65/03/987106503.db2.gz ZYHHMXNNFQXOIM-UHFFFAOYSA-N 0 1 415.862 3.716 20 5 HHBDMN CC(C)[C@H](CN(C)Cc1ccccc1)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000469555605 987226929 /nfs/dbraw/zinc/22/69/29/987226929.db2.gz BOXOWIPJPFVBKJ-SFHVURJKSA-N 0 1 405.520 3.567 20 5 HHBDMN COc1cccc(-c2cc(-c3nc(Cc4cc(OC)ccc4[N+](=O)[O-])no3)[nH]n2)c1 ZINC000445580100 987646105 /nfs/dbraw/zinc/64/61/05/987646105.db2.gz PDPHVQGZFLEOIA-UHFFFAOYSA-N 0 1 407.386 3.643 20 5 HHBDMN COc1ccc([C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000470145580 988053021 /nfs/dbraw/zinc/05/30/21/988053021.db2.gz WRADIQLWFQVPLG-IBGZPJMESA-N 0 1 402.426 3.701 20 5 HHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000470185023 988100966 /nfs/dbraw/zinc/10/09/66/988100966.db2.gz VWAILYCBSXEPMY-AQTBWJFISA-N 0 1 411.477 3.914 20 5 HHBDMN CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470672582 988694794 /nfs/dbraw/zinc/69/47/94/988694794.db2.gz WISDSXSGAIBMOA-NRFANRHFSA-N 0 1 419.485 3.517 20 5 HHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cn(C(C)(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000464607026 988789330 /nfs/dbraw/zinc/78/93/30/988789330.db2.gz XSQAWXJNUXXDLF-TZMCWYRMSA-N 0 1 403.483 3.541 20 5 HHBDMN CC(C)(C)c1nc2ccc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)cc2[nH]1 ZINC000465049790 989376178 /nfs/dbraw/zinc/37/61/78/989376178.db2.gz GJYONFKHQJCKRE-UHFFFAOYSA-N 0 1 410.430 3.721 20 5 HHBDMN CN(C)[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccsc1 ZINC000465520438 989873954 /nfs/dbraw/zinc/87/39/54/989873954.db2.gz HLFGEAXUTSIWMS-LJQANCHMSA-N 0 1 418.519 3.512 20 5 HHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000466474581 991766029 /nfs/dbraw/zinc/76/60/29/991766029.db2.gz PNCOGUUQWSCRTE-UHFFFAOYSA-N 0 1 417.897 3.630 20 5 HHBDMN Cc1ccc2nc(CNc3cnn(-c4ccc([N+](=O)[O-])cc4)c(=O)c3Cl)[nH]c2c1 ZINC000467006240 992314931 /nfs/dbraw/zinc/31/49/31/992314931.db2.gz SYXGSLZSNVVMBD-UHFFFAOYSA-N 0 1 410.821 3.591 20 5 HHBDMN CCc1ccc(-c2noc([C@H](C)NS(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)n2)cc1 ZINC000467057777 992367205 /nfs/dbraw/zinc/36/72/05/992367205.db2.gz NKFMONWZSWAJIB-JTQLQIEISA-N 0 1 422.488 3.617 20 5 HHBDMN COC[C@@H]1CCCCN([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000467123026 992437477 /nfs/dbraw/zinc/43/74/77/992437477.db2.gz UNHYWGZNSDGDBB-LSDHHAIUSA-N 0 1 418.519 3.794 20 5 HHBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1nc2ccc(F)cc2[nH]1 ZINC000467469973 992762401 /nfs/dbraw/zinc/76/24/01/992762401.db2.gz QOHPROSVRIABFT-UHFFFAOYSA-N 0 1 414.440 3.529 20 5 HHBDMN CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)c1nn[nH]n1 ZINC000467789245 993024960 /nfs/dbraw/zinc/02/49/60/993024960.db2.gz PFHMEFJXNRJNCY-UHFFFAOYSA-N 0 1 418.866 3.578 20 5 HHBDMN Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000480732863 993598682 /nfs/dbraw/zinc/59/86/82/993598682.db2.gz SMVSXUPZRYJPOH-IEBWSBKVSA-N 0 1 417.531 3.543 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)c1C ZINC000480989362 993831077 /nfs/dbraw/zinc/83/10/77/993831077.db2.gz YGYRARMIBPAYMM-YJBOKZPZSA-N 0 1 423.560 3.635 20 5 HHBDMN Cc1ccc(C)c(S(=O)(=O)N(CCN2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000481043210 993887042 /nfs/dbraw/zinc/88/70/42/993887042.db2.gz DXZYEXNAYQOYEU-UHFFFAOYSA-N 0 1 403.504 3.503 20 5 HHBDMN CC[C@@H](NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000481548246 994380184 /nfs/dbraw/zinc/38/01/84/994380184.db2.gz UPJVVDHTYHHEFT-HXUWFJFHSA-N 0 1 405.520 3.865 20 5 HHBDMN Cc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000481571091 994407288 /nfs/dbraw/zinc/40/72/88/994407288.db2.gz LKPHQZJGFYDHJD-MRXNPFEDSA-N 0 1 405.520 3.783 20 5 HHBDMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481859894 994718281 /nfs/dbraw/zinc/71/82/81/994718281.db2.gz BATWVGYFBOUJTB-UYAOXDASSA-N 0 1 415.515 3.517 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000481956643 994839600 /nfs/dbraw/zinc/83/96/00/994839600.db2.gz LPSVXNXNIXMHOM-UHFFFAOYSA-N 0 1 420.487 3.897 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000481984769 994882733 /nfs/dbraw/zinc/88/27/33/994882733.db2.gz VXZOKAPDOBEMTF-UHFFFAOYSA-N 0 1 417.487 3.639 20 5 HHBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000481991916 994892810 /nfs/dbraw/zinc/89/28/10/994892810.db2.gz MPKYTGKWFUKZFT-IYBDPMFKSA-N 0 1 409.552 3.572 20 5 HHBDMN COc1cccc([C@@H]2[C@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000482099761 995045046 /nfs/dbraw/zinc/04/50/46/995045046.db2.gz HMINOACFTRHYCJ-WOJBJXKFSA-N 0 1 415.877 3.965 20 5 HHBDMN CC(C)CCSc1ccc(C(=O)N2CCN(C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000474472954 995433809 /nfs/dbraw/zinc/43/38/09/995433809.db2.gz PDTHDGVHGDNQED-UHFFFAOYSA-N 0 1 421.563 3.670 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1SC ZINC000482557963 995565218 /nfs/dbraw/zinc/56/52/18/995565218.db2.gz YURGRPNGSXMVCE-AWEZNQCLSA-N 0 1 415.515 3.502 20 5 HHBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000483113550 995984086 /nfs/dbraw/zinc/98/40/86/995984086.db2.gz BBBNKXBMAMDZEQ-MRXNPFEDSA-N 0 1 421.563 3.668 20 5 HHBDMN Cc1ccc(CN2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)cc1[N+](=O)[O-] ZINC000475510154 996190445 /nfs/dbraw/zinc/19/04/45/996190445.db2.gz GCVIXLPIJAIGRY-UHFFFAOYSA-N 0 1 405.454 3.722 20 5 HHBDMN COC(=O)COc1ccc(CN(Cc2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000475548543 996214015 /nfs/dbraw/zinc/21/40/15/996214015.db2.gz BWTIIESRAVCHBS-UHFFFAOYSA-N 0 1 404.850 3.965 20 5 HHBDMN COC(=O)COc1ccc(CN2CCC(c3ccc(OC)cc3)CC2)cc1[N+](=O)[O-] ZINC000475717194 996320173 /nfs/dbraw/zinc/32/01/73/996320173.db2.gz JRPWQHFTYOSZSZ-UHFFFAOYSA-N 0 1 414.458 3.535 20 5 HHBDMN Cc1nnc(-c2cc(F)ccc2NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)o1 ZINC000475824682 996395073 /nfs/dbraw/zinc/39/50/73/996395073.db2.gz BMFREBHBNAWQBT-UHFFFAOYSA-N 0 1 406.395 3.510 20 5 HHBDMN O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000483828604 996413355 /nfs/dbraw/zinc/41/33/55/996413355.db2.gz HXZQRNWMLWGPKB-HNNXBMFYSA-N 0 1 405.401 3.591 20 5 HHBDMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000483828604 996413356 /nfs/dbraw/zinc/41/33/56/996413356.db2.gz HXZQRNWMLWGPKB-HNNXBMFYSA-N 0 1 405.401 3.591 20 5 HHBDMN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000484058425 996546430 /nfs/dbraw/zinc/54/64/30/996546430.db2.gz ANIJPLGZUDBLEO-GOSISDBHSA-N 0 1 424.501 3.523 20 5 HHBDMN COc1cccc(-c2nsc(NC(O)=C(C)Sc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000476361719 996791277 /nfs/dbraw/zinc/79/12/77/996791277.db2.gz HADBMCGKYBRDTB-NSHDSACASA-N 0 1 416.484 3.663 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000476423868 996891677 /nfs/dbraw/zinc/89/16/77/996891677.db2.gz MSDOPKJMKKMJGH-UHFFFAOYSA-N 0 1 417.418 3.817 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1SC ZINC000484848820 997212810 /nfs/dbraw/zinc/21/28/10/997212810.db2.gz PTITXWKDZUICOJ-INIZCTEOSA-N 0 1 415.515 3.720 20 5 HHBDMN O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476853541 997422856 /nfs/dbraw/zinc/42/28/56/997422856.db2.gz REZZWKABOZESAR-OAHLLOKOSA-N 0 1 424.240 3.533 20 5 HHBDMN Cc1c(NS(=O)(=O)c2ccc(F)c(F)c2)cc(Br)cc1[N+](=O)[O-] ZINC000485395083 997822521 /nfs/dbraw/zinc/82/25/21/997822521.db2.gz CFIGJAXUVATRCB-UHFFFAOYSA-N 0 1 407.192 3.745 20 5 HHBDMN Cc1cc(F)cc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000485396507 997824860 /nfs/dbraw/zinc/82/48/60/997824860.db2.gz LXHOLUUEPMATLV-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])c1 ZINC000485841422 998306373 /nfs/dbraw/zinc/30/63/73/998306373.db2.gz AJCDXLQTSVCOKF-GFCCVEGCSA-N 0 1 400.460 3.893 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000477923184 998659968 /nfs/dbraw/zinc/65/99/68/998659968.db2.gz UIOKKOBNPWHFCK-RDTXWAMCSA-N 0 1 401.438 3.584 20 5 HHBDMN COc1ccccc1[C@@H](C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+]1CCCC1 ZINC000486440196 998769352 /nfs/dbraw/zinc/76/93/52/998769352.db2.gz URJLNXGGAMKGMR-GOSISDBHSA-N 0 1 409.446 3.902 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)N1CCCC1 ZINC000478439353 998959003 /nfs/dbraw/zinc/95/90/03/998959003.db2.gz WTHZSJXBNOGSPZ-HXUWFJFHSA-N 0 1 412.490 3.548 20 5 HHBDMN CC(C)(C)OC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(F)c1 ZINC000479342728 999394803 /nfs/dbraw/zinc/39/48/03/999394803.db2.gz KUZNEIWWNSGZRE-UHFFFAOYSA-N 0 1 414.386 3.629 20 5 HHBDMN C[C@H](C1CC1)n1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000488376678 999464486 /nfs/dbraw/zinc/46/44/86/999464486.db2.gz FTKUVRPIOWRKLX-SECBINFHSA-N 0 1 404.370 3.582 20 5 HHBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC000479549630 999472189 /nfs/dbraw/zinc/47/21/89/999472189.db2.gz GSMZZSJHBZDSMX-UHFFFAOYSA-N 0 1 423.397 3.729 20 5 HHBDMN Cc1ccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)cc1 ZINC000488731729 999591792 /nfs/dbraw/zinc/59/17/92/999591792.db2.gz VINJRYYLHCDKOB-GOSISDBHSA-N 0 1 423.922 3.672 20 5 HHBDMN CC1CCN(c2ccc(C(=O)NCc3nc4ccc(F)cc4[nH]3)cc2[N+](=O)[O-])CC1 ZINC000479958499 999663572 /nfs/dbraw/zinc/66/35/72/999663572.db2.gz CKLIVKNCYNQDTO-UHFFFAOYSA-N 0 1 411.437 3.777 20 5 HHBDMN Cc1c(CNC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000480053278 999703171 /nfs/dbraw/zinc/70/31/71/999703171.db2.gz JJZURPXNKXQERZ-SFHVURJKSA-N 0 1 420.473 3.778 20 5 HHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC000489213647 999723914 /nfs/dbraw/zinc/72/39/14/999723914.db2.gz ICWMONLOILEIKX-SOUVJXGZSA-N 0 1 414.510 3.954 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[C@H](C)[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000480141978 999728996 /nfs/dbraw/zinc/72/89/96/999728996.db2.gz GMZAGEDEGIKCLQ-DZGCQCFKSA-N 0 1 417.487 3.575 20 5 HHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000489243924 999729157 /nfs/dbraw/zinc/72/91/57/999729157.db2.gz FESGJVGQPWFNEO-WPRPVWTQSA-N 0 1 410.272 3.788 20 5 HHBDMN Cc1nc(CN(C)[C@@H]2CCCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)no1 ZINC000480212785 999746767 /nfs/dbraw/zinc/74/67/67/999746767.db2.gz ZHMUZTDSLVIBDK-MRXNPFEDSA-N 0 1 410.478 3.634 20 5 HHBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000489502182 999779325 /nfs/dbraw/zinc/77/93/25/999779325.db2.gz WDIJLMSDWUXVEB-MNOVXSKESA-N 0 1 400.464 3.841 20 5 HHBDMN COc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccc1OC1CCCC1 ZINC000490362877 999944902 /nfs/dbraw/zinc/94/49/02/999944902.db2.gz GTCFAJHQAKPGCM-UHFFFAOYSA-N 0 1 423.429 3.962 20 5 HHBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000493516528 1000177414 /nfs/dbraw/zinc/17/74/14/1000177414.db2.gz ADZZALQAYMAQRV-UHFFFAOYSA-N 0 1 400.464 3.719 20 5 HHBDMN Cc1cc(C)c(S(=O)(=O)N(CCN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000493826920 1000196211 /nfs/dbraw/zinc/19/62/11/1000196211.db2.gz YFFPAOXNMDBDQM-UHFFFAOYSA-N 0 1 403.504 3.503 20 5 HHBDMN O=C(CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000493952441 1000234555 /nfs/dbraw/zinc/23/45/55/1000234555.db2.gz KVFLCJJRCFXBRU-MAUKXSAKSA-N 0 1 411.792 3.585 20 5 HHBDMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000494472030 1000510243 /nfs/dbraw/zinc/51/02/43/1000510243.db2.gz GPGNHIISRMLYGQ-UHFFFAOYSA-N 0 1 417.531 3.891 20 5 HHBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000494499746 1000525920 /nfs/dbraw/zinc/52/59/20/1000525920.db2.gz AVUDBIZZOAPHKP-WILYLXEWSA-N 0 1 419.865 3.704 20 5 HHBDMN Cc1c(C(=O)Nc2cccc3c2CN(CC(C)C)C3)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000494521144 1000536309 /nfs/dbraw/zinc/53/63/09/1000536309.db2.gz SHCPSPCXEVTTPE-UHFFFAOYSA-N 0 1 420.473 3.708 20 5 HHBDMN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccn(-c2ccncc2)n1 ZINC000505118262 1000559272 /nfs/dbraw/zinc/55/92/72/1000559272.db2.gz FWTWFLIIFIHVQB-UHFFFAOYSA-N 0 1 423.376 3.925 20 5 HHBDMN CN(C)[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccsc1 ZINC000494699965 1000610565 /nfs/dbraw/zinc/61/05/65/1000610565.db2.gz UHAYUDTYJAOVDU-HNNXBMFYSA-N 0 1 416.425 3.777 20 5 HHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000505783186 1001021586 /nfs/dbraw/zinc/02/15/86/1001021586.db2.gz QPGKIWSELYHPFI-UHFFFAOYSA-N 0 1 414.531 3.886 20 5 HHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000505807933 1001037196 /nfs/dbraw/zinc/03/71/96/1001037196.db2.gz UNVBIMANDBTHLC-UHFFFAOYSA-N 0 1 410.474 3.591 20 5 HHBDMN COC(=O)C1CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000505859233 1001065078 /nfs/dbraw/zinc/06/50/78/1001065078.db2.gz RTIZVUCXDXGOKZ-UHFFFAOYSA-N 0 1 414.458 3.567 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)NCCN2CC=C(C(C)(C)C)CC2)cc1SC ZINC000505862372 1001066926 /nfs/dbraw/zinc/06/69/26/1001066926.db2.gz KASVTCPOQWDEMH-UHFFFAOYSA-N 0 1 407.536 3.733 20 5 HHBDMN CNC(=O)c1ccc(CN(C)Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 ZINC000506179614 1001263335 /nfs/dbraw/zinc/26/33/35/1001263335.db2.gz PXQWDJUYXACWNN-UHFFFAOYSA-N 0 1 409.442 3.855 20 5 HHBDMN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000497063848 1001263706 /nfs/dbraw/zinc/26/37/06/1001263706.db2.gz FTQDTJSAZOHJEB-SFHVURJKSA-N 0 1 402.414 3.839 20 5 HHBDMN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000497063848 1001263710 /nfs/dbraw/zinc/26/37/10/1001263710.db2.gz FTQDTJSAZOHJEB-SFHVURJKSA-N 0 1 402.414 3.839 20 5 HHBDMN CC(=O)N1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000506244805 1001303233 /nfs/dbraw/zinc/30/32/33/1001303233.db2.gz FIEFBATUYXQWCN-UHFFFAOYSA-N 0 1 422.279 3.672 20 5 HHBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000497358475 1001308062 /nfs/dbraw/zinc/30/80/62/1001308062.db2.gz ROOFOALXDAGIIM-QGZVFWFLSA-N 0 1 419.428 3.933 20 5 HHBDMN COc1cc(CN2CCCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000506281859 1001326695 /nfs/dbraw/zinc/32/66/95/1001326695.db2.gz MVBYTIPXVVVAIP-UHFFFAOYSA-N 0 1 419.909 3.973 20 5 HHBDMN Cc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000506452277 1001419482 /nfs/dbraw/zinc/41/94/82/1001419482.db2.gz QYHDITHDPAIXEB-PBHICJAKSA-N 0 1 421.881 3.870 20 5 HHBDMN CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000497983596 1001590555 /nfs/dbraw/zinc/59/05/55/1001590555.db2.gz NZCRITFBQJAOEL-PKOBYXMFSA-N 0 1 417.531 3.749 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000498026621 1001611833 /nfs/dbraw/zinc/61/18/33/1001611833.db2.gz NRAQPAODEMADOG-CYBMUJFWSA-N 0 1 421.295 3.738 20 5 HHBDMN COc1cccc([C@H]2[C@H](NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000498292099 1001760890 /nfs/dbraw/zinc/76/08/90/1001760890.db2.gz UTDATRZWKUCFCU-IRLDBZIGSA-N 0 1 423.513 3.975 20 5 HHBDMN COc1cccc([C@H]2[C@@H](NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000498292101 1001761092 /nfs/dbraw/zinc/76/10/92/1001761092.db2.gz UTDATRZWKUCFCU-UNMCSNQZSA-N 0 1 423.513 3.975 20 5 HHBDMN C[C@H](CCc1ccc(Br)cc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000507821029 1002365754 /nfs/dbraw/zinc/36/57/54/1002365754.db2.gz CAKMPVUSZAPIHN-LLVKDONJSA-N 0 1 417.263 3.985 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OCc2cscn2)c1 ZINC000508014116 1002538607 /nfs/dbraw/zinc/53/86/07/1002538607.db2.gz VJNXXDXNFAFBDT-UHFFFAOYSA-N 0 1 405.457 3.740 20 5 HHBDMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000499336135 1002739583 /nfs/dbraw/zinc/73/95/83/1002739583.db2.gz PNMRHBBEWGCMNL-MRXNPFEDSA-N 0 1 414.481 3.675 20 5 HHBDMN COc1cc(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC000508215005 1002745756 /nfs/dbraw/zinc/74/57/56/1002745756.db2.gz GYGGGGWUGINSFA-AWEZNQCLSA-N 0 1 424.457 3.817 20 5 HHBDMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000511822652 1003792610 /nfs/dbraw/zinc/79/26/10/1003792610.db2.gz JISWSXTZQYOLNB-AWEZNQCLSA-N 0 1 411.355 3.757 20 5 HHBDMN O=C(CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000511830822 1003803497 /nfs/dbraw/zinc/80/34/97/1003803497.db2.gz SPCHPHVZNRGDOC-JZXOWHBKSA-N 0 1 409.442 3.530 20 5 HHBDMN Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000511841413 1003819054 /nfs/dbraw/zinc/81/90/54/1003819054.db2.gz HZMQVWNJFKYYOR-KRWDZBQOSA-N 0 1 407.392 3.926 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccccc1Cl ZINC000512062762 1003993113 /nfs/dbraw/zinc/99/31/13/1003993113.db2.gz QYSAIFRHXTYKFY-KRWDZBQOSA-N 0 1 408.861 3.782 20 5 HHBDMN C[C@@H]1CN(C[C@@H]2CCCN2Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000512070780 1004000210 /nfs/dbraw/zinc/00/02/10/1004000210.db2.gz HJYGHHIOVLFCEY-QINHECLXSA-N 0 1 416.547 3.792 20 5 HHBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000509768291 1004082632 /nfs/dbraw/zinc/08/26/32/1004082632.db2.gz VSXVFUMHQHXENZ-SSDOTTSWSA-N 0 1 410.666 3.990 20 5 HHBDMN CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000509788610 1004097425 /nfs/dbraw/zinc/09/74/25/1004097425.db2.gz KDTCQPHXOAKNDG-IEBWSBKVSA-N 0 1 417.531 3.749 20 5 HHBDMN CN(C(=O)CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000512202382 1004103707 /nfs/dbraw/zinc/10/37/07/1004103707.db2.gz JTKMTVVLYATPBN-KRWDZBQOSA-N 0 1 412.273 3.578 20 5 HHBDMN O=C(Nc1ccccc1)N1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000509976378 1004241981 /nfs/dbraw/zinc/24/19/81/1004241981.db2.gz ZCQYFZZLEXMZOC-OAHLLOKOSA-N 0 1 406.389 3.592 20 5 HHBDMN NC(=O)N1CCCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000512644405 1004455893 /nfs/dbraw/zinc/45/58/93/1004455893.db2.gz NITJGBNJWNMOIM-UHFFFAOYSA-N 0 1 404.854 3.627 20 5 HHBDMN C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000501771995 1004710575 /nfs/dbraw/zinc/71/05/75/1004710575.db2.gz HVZQCUBNRDLLNJ-IAGOWNOFSA-N 0 1 407.474 3.740 20 5 HHBDMN CN(c1ccccc1)c1ccc(CNCC2(S(C)(=O)=O)CCCC2)cc1[N+](=O)[O-] ZINC000512973189 1004739146 /nfs/dbraw/zinc/73/91/46/1004739146.db2.gz ZWMLMMQQFGQKOQ-UHFFFAOYSA-N 0 1 417.531 3.810 20 5 HHBDMN C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000501805128 1004747113 /nfs/dbraw/zinc/74/71/13/1004747113.db2.gz MSZFIYGIXICYRU-IAGOWNOFSA-N 0 1 407.474 3.740 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](NCc3c(F)cc([N+](=O)[O-])cc3F)CCN2C2CC2)c1 ZINC000510642117 1004773161 /nfs/dbraw/zinc/77/31/61/1004773161.db2.gz YTWYOXYHBMJEDK-LEWJYISDSA-N 0 1 403.429 3.949 20 5 HHBDMN COC(=O)C[C@@](C)(NCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000513127001 1004821066 /nfs/dbraw/zinc/82/10/66/1004821066.db2.gz BEMZTTXMKGIFIW-GOSISDBHSA-N 0 1 407.264 3.925 20 5 HHBDMN Cc1ccc(CNCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000513131290 1004823760 /nfs/dbraw/zinc/82/37/60/1004823760.db2.gz FAECKHCJGDLYAY-MRXNPFEDSA-N 0 1 417.531 3.614 20 5 HHBDMN Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3I)cc2[nH]1 ZINC000510920842 1004933392 /nfs/dbraw/zinc/93/33/92/1004933392.db2.gz YCMROLUEDVKZJY-UHFFFAOYSA-N 0 1 422.182 3.636 20 5 HHBDMN C[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000513660708 1005070682 /nfs/dbraw/zinc/07/06/82/1005070682.db2.gz JYGGBBSTUKQVSO-ZNLUXHQJSA-N 0 1 405.502 3.670 20 5 HHBDMN C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000513668473 1005074961 /nfs/dbraw/zinc/07/49/61/1005074961.db2.gz ZFASQQOMMZOZQW-AGHHOFFYSA-N 0 1 405.502 3.670 20 5 HHBDMN C[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000513668476 1005075081 /nfs/dbraw/zinc/07/50/81/1005075081.db2.gz ZFASQQOMMZOZQW-ZNLUXHQJSA-N 0 1 405.502 3.670 20 5 HHBDMN O=[N+]([O-])c1ccc2oc(CSc3nc(-c4ccc5c(c4)OCCO5)n[nH]3)nc2c1 ZINC000502445669 1005078534 /nfs/dbraw/zinc/07/85/34/1005078534.db2.gz SBHPHMCEJUJVBG-UHFFFAOYSA-N 0 1 411.399 3.585 20 5 HHBDMN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(OCC(F)(F)F)c1 ZINC000511690127 1005277822 /nfs/dbraw/zinc/27/78/22/1005277822.db2.gz ZRWCAUXGEYVQSQ-UHFFFAOYSA-N 0 1 404.366 3.954 20 5 HHBDMN O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000511743441 1005302918 /nfs/dbraw/zinc/30/29/18/1005302918.db2.gz SSYULXAXSXSPJK-MRXNPFEDSA-N 0 1 403.866 3.738 20 5 HHBDMN O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000511743441 1005302923 /nfs/dbraw/zinc/30/29/23/1005302923.db2.gz SSYULXAXSXSPJK-MRXNPFEDSA-N 0 1 403.866 3.738 20 5 HHBDMN CN1CC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H]1c1ccccc1 ZINC000534019285 1005990202 /nfs/dbraw/zinc/99/02/02/1005990202.db2.gz OTBUIJORZNSPBI-PXDATVDWSA-N 0 1 411.505 3.716 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN([C@H](C)C(=O)Nc4cccc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000534215798 1006211057 /nfs/dbraw/zinc/21/10/57/1006211057.db2.gz RGGQGCTWLMITGC-HZPDHXFCSA-N 0 1 407.474 3.986 20 5 HHBDMN C[C@H](NCc1ccc(OCCN2CCOCC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000531584572 1006287094 /nfs/dbraw/zinc/28/70/94/1006287094.db2.gz ZDLFHLCHZHYODS-INIZCTEOSA-N 0 1 419.909 3.810 20 5 HHBDMN CCO[C@H]1C[C@H](N(C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000531915849 1006517198 /nfs/dbraw/zinc/51/71/98/1006517198.db2.gz TUBQEOAHTFJBRC-IRXDYDNUSA-N 0 1 400.422 3.984 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1CS(=O)(=O)NC(C)C ZINC000532213893 1006726385 /nfs/dbraw/zinc/72/63/85/1006726385.db2.gz ONWOWDZYIZYMLV-MRXNPFEDSA-N 0 1 405.520 3.582 20 5 HHBDMN CN(C)[C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000532288207 1006772386 /nfs/dbraw/zinc/77/23/86/1006772386.db2.gz PQSXLDPLFGHOSC-IBGZPJMESA-N 0 1 402.882 3.619 20 5 HHBDMN COc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)ccc1[N+](=O)[O-] ZINC000538647012 1006917163 /nfs/dbraw/zinc/91/71/63/1006917163.db2.gz MUZYWKQQOUHXFA-MRXNPFEDSA-N 0 1 413.478 3.789 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1 ZINC000538708380 1006984953 /nfs/dbraw/zinc/98/49/53/1006984953.db2.gz JLWXWYVPINZUNN-OAHLLOKOSA-N 0 1 413.808 3.882 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(Cl)cc1 ZINC000538708374 1006985156 /nfs/dbraw/zinc/98/51/56/1006985156.db2.gz JLWXWYVPINZUNN-HNNXBMFYSA-N 0 1 413.808 3.882 20 5 HHBDMN COc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)N(C)C)cc1OC ZINC000516272098 1006986845 /nfs/dbraw/zinc/98/68/45/1006986845.db2.gz XYHGBLWHYWREPK-INIZCTEOSA-N 0 1 422.869 3.690 20 5 HHBDMN COc1ccc(-c2ccc(CN3CCC[C@@H]3[C@H](O)C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000538733138 1007015164 /nfs/dbraw/zinc/01/51/64/1007015164.db2.gz UATYPKXUVIIAON-PBHICJAKSA-N 0 1 400.353 3.751 20 5 HHBDMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000532691064 1007105686 /nfs/dbraw/zinc/10/56/86/1007105686.db2.gz VEXMIFNWXCIQLF-UHFFFAOYSA-N 0 1 408.292 3.513 20 5 HHBDMN CC(C)n1cnnc1[C@@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000535271301 1007321758 /nfs/dbraw/zinc/32/17/58/1007321758.db2.gz QEZYNJWJCUVFOE-GOEBONIOSA-N 0 1 411.466 3.758 20 5 HHBDMN O=[N+]([O-])c1cc(CNC2(c3ccc(Cl)cc3)CCOCC2)c2c(c1)COCO2 ZINC000533063009 1007425593 /nfs/dbraw/zinc/42/55/93/1007425593.db2.gz QFVRUNYFBKOMRF-UHFFFAOYSA-N 0 1 404.850 3.910 20 5 HHBDMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517191144 1007495305 /nfs/dbraw/zinc/49/53/05/1007495305.db2.gz SSVZKIZSGVLHBD-ZNLUXHQJSA-N 0 1 405.502 3.843 20 5 HHBDMN C[C@H](c1ccccc1)N1CC[C@@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517191144 1007495311 /nfs/dbraw/zinc/49/53/11/1007495311.db2.gz SSVZKIZSGVLHBD-ZNLUXHQJSA-N 0 1 405.502 3.843 20 5 HHBDMN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 ZINC000539244965 1007539552 /nfs/dbraw/zinc/53/95/52/1007539552.db2.gz QPYLSOUHAUHHFA-PXAZEXFGSA-N 0 1 404.264 3.813 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OC ZINC000539268959 1007564058 /nfs/dbraw/zinc/56/40/58/1007564058.db2.gz OBKBUYRKYPLPEB-UONOGXRCSA-N 0 1 417.462 3.689 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OC ZINC000539268958 1007564308 /nfs/dbraw/zinc/56/43/08/1007564308.db2.gz OBKBUYRKYPLPEB-KGLIPLIRSA-N 0 1 417.462 3.689 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000517489799 1007713729 /nfs/dbraw/zinc/71/37/29/1007713729.db2.gz UJNAQQJBACZMPA-UHFFFAOYSA-N 0 1 412.471 3.904 20 5 HHBDMN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)Cc1ccc(OC)cc1 ZINC000533418523 1007727970 /nfs/dbraw/zinc/72/79/70/1007727970.db2.gz HNEBZVWJDVKRFF-OAHLLOKOSA-N 0 1 401.463 3.504 20 5 HHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCc3cc(Cl)c4c(c3)OCCCO4)C2)nc1 ZINC000539450037 1007761894 /nfs/dbraw/zinc/76/18/94/1007761894.db2.gz GCTYWHVHGMSWMB-HNNXBMFYSA-N 0 1 418.881 3.533 20 5 HHBDMN CC(C)C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000539636842 1007953196 /nfs/dbraw/zinc/95/31/96/1007953196.db2.gz BHNXCKWOHHTJAN-VXGBXAGGSA-N 0 1 411.307 3.774 20 5 HHBDMN CCc1nc2ccccc2n1C1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000540119069 1008297803 /nfs/dbraw/zinc/29/78/03/1008297803.db2.gz FHRINDQGZLKHOX-UHFFFAOYSA-N 0 1 410.478 3.831 20 5 HHBDMN C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000518427608 1008300700 /nfs/dbraw/zinc/30/07/00/1008300700.db2.gz CZINYLCPAIFVBQ-APPDUMDISA-N 0 1 400.822 3.727 20 5 HHBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000540193108 1008330061 /nfs/dbraw/zinc/33/00/61/1008330061.db2.gz WWLBYIBZAAXBQP-INIZCTEOSA-N 0 1 403.504 3.620 20 5 HHBDMN CC(C)[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000540343718 1008390460 /nfs/dbraw/zinc/39/04/60/1008390460.db2.gz GSMZAGUFPXQSPA-FQEVSTJZSA-N 0 1 419.865 3.945 20 5 HHBDMN CC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1OC(F)F ZINC000540354881 1008396230 /nfs/dbraw/zinc/39/62/30/1008396230.db2.gz SLSDNBRVGARSPJ-MRXNPFEDSA-N 0 1 405.401 3.826 20 5 HHBDMN COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000540375581 1008405526 /nfs/dbraw/zinc/40/55/26/1008405526.db2.gz HOBPDABWFPICSP-BEFAXECRSA-N 0 1 413.474 3.626 20 5 HHBDMN CC(C)(NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1Br ZINC000540423598 1008427141 /nfs/dbraw/zinc/42/71/41/1008427141.db2.gz CMSOLDQSQIOGOD-AWEZNQCLSA-N 0 1 409.280 3.622 20 5 HHBDMN Cc1c([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000540469063 1008443403 /nfs/dbraw/zinc/44/34/03/1008443403.db2.gz DGMMGSJBXNXZNN-ZIAGYGMSSA-N 0 1 411.437 3.906 20 5 HHBDMN Cc1ccc([C@@H](C)NCC(=O)N[C@@H](c2nccs2)c2ccccc2)cc1[N+](=O)[O-] ZINC000540475572 1008446422 /nfs/dbraw/zinc/44/64/22/1008446422.db2.gz PQMUMXSWSOHAEH-FOIQADDNSA-N 0 1 410.499 3.916 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)N(C)C)c1 ZINC000549088037 1008652215 /nfs/dbraw/zinc/65/22/15/1008652215.db2.gz QRAURGPXVBFCMP-QGZVFWFLSA-N 0 1 411.380 3.655 20 5 HHBDMN CCc1ccc([C@H](NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000549229546 1008800007 /nfs/dbraw/zinc/80/00/07/1008800007.db2.gz XZMQVDUEQSBYAQ-MTNREXPMSA-N 0 1 414.502 3.997 20 5 HHBDMN CN1C[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000543312730 1008892046 /nfs/dbraw/zinc/89/20/46/1008892046.db2.gz KUAHZZHRAKELRG-HZPDHXFCSA-N 0 1 405.907 3.554 20 5 HHBDMN CCc1ccc([C@@H](NCCC2CCS(=O)(=O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543423891 1009015523 /nfs/dbraw/zinc/01/55/23/1009015523.db2.gz GUWMRPYHLLDYDI-FQEVSTJZSA-N 0 1 406.504 3.644 20 5 HHBDMN CCOc1ccc([C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1OCC ZINC000519890700 1009056061 /nfs/dbraw/zinc/05/60/61/1009056061.db2.gz MUMFFOTXRQAAPS-GFCCVEGCSA-N 0 1 412.439 3.571 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543560580 1009167239 /nfs/dbraw/zinc/16/72/39/1009167239.db2.gz IWSMONSGTWWLGM-XLIONFOSSA-N 0 1 401.438 3.833 20 5 HHBDMN CSc1cc2c(cc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)OCCO2 ZINC000543659939 1009268537 /nfs/dbraw/zinc/26/85/37/1009268537.db2.gz YFDUPMYBZDOYGM-UHFFFAOYSA-N 0 1 410.473 3.506 20 5 HHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccccn4)no3)cc2)c1 ZINC000546259043 1009281509 /nfs/dbraw/zinc/28/15/09/1009281509.db2.gz OGGNESFYIZHAKV-UHFFFAOYSA-N 0 1 423.410 3.508 20 5 HHBDMN COc1cc(CNCCn2cnc3ccccc32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000520204147 1009339608 /nfs/dbraw/zinc/33/96/08/1009339608.db2.gz PABKRDVZGNPJGH-UHFFFAOYSA-N 0 1 424.379 3.684 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000543824302 1009385422 /nfs/dbraw/zinc/38/54/22/1009385422.db2.gz ZHJSXARBYWLGDJ-HNNXBMFYSA-N 0 1 413.808 3.882 20 5 HHBDMN C/C(=C\c1nc(-c2ccccc2N2CCN(C)CC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000546419016 1009438699 /nfs/dbraw/zinc/43/86/99/1009438699.db2.gz BYMQHQHQRVQMOT-FOCLMDBBSA-N 0 1 405.458 3.957 20 5 HHBDMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000520340546 1009476445 /nfs/dbraw/zinc/47/64/45/1009476445.db2.gz NPORINHGRMXSGU-MRXNPFEDSA-N 0 1 423.429 3.575 20 5 HHBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000543901133 1009485383 /nfs/dbraw/zinc/48/53/83/1009485383.db2.gz HCDHHWZBSZOSDA-INIZCTEOSA-N 0 1 413.478 3.931 20 5 HHBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000543901133 1009485387 /nfs/dbraw/zinc/48/53/87/1009485387.db2.gz HCDHHWZBSZOSDA-INIZCTEOSA-N 0 1 413.478 3.931 20 5 HHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc(CCC4CC4)no3)cc2)c1 ZINC000546533935 1009555031 /nfs/dbraw/zinc/55/50/31/1009555031.db2.gz ZZEZIKVQOVSQLK-UHFFFAOYSA-N 0 1 414.443 3.788 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000550111203 1009707904 /nfs/dbraw/zinc/70/79/04/1009707904.db2.gz DXMXKLXNPSRUEI-UHFFFAOYSA-N 0 1 424.385 3.946 20 5 HHBDMN COc1cc([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000544117862 1009726241 /nfs/dbraw/zinc/72/62/41/1009726241.db2.gz TWUSLPXFZLYKBV-OAHLLOKOSA-N 0 1 422.503 3.515 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000520767920 1009837418 /nfs/dbraw/zinc/83/74/18/1009837418.db2.gz HVDWMQCSMCGFPS-UHFFFAOYSA-N 0 1 417.487 3.630 20 5 HHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000544357990 1009984501 /nfs/dbraw/zinc/98/45/01/1009984501.db2.gz GREGQWXPELIONF-KRWDZBQOSA-N 0 1 419.363 3.570 20 5 HHBDMN 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CC1(C)CN(C2(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CCCCC2)CCO1 ZINC000521758104 1010596168 /nfs/dbraw/zinc/59/61/68/1010596168.db2.gz ASLIESCHFOGPNA-UHFFFAOYSA-N 0 1 415.490 3.885 20 5 HHBDMN COCCOc1ccccc1S(=O)(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551475454 1010609980 /nfs/dbraw/zinc/60/99/80/1010609980.db2.gz RDNDIPGEEBBMGC-UHFFFAOYSA-N 0 1 408.476 3.718 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@@H](O)C[C@@H]3c3ccc(F)c(F)c3)o2)c1 ZINC000536239995 1011393759 /nfs/dbraw/zinc/39/37/59/1011393759.db2.gz PPYXJQVXPUSCAF-QFBILLFUSA-N 0 1 415.396 3.878 20 5 HHBDMN O=C1[C@H](NCc2ccc([N+](=O)[O-])cc2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000540768248 1011424628 /nfs/dbraw/zinc/42/46/28/1011424628.db2.gz IZHHVMDDYLULEM-GOSISDBHSA-N 0 1 407.392 3.894 20 5 HHBDMN CN1CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000536263229 1011429792 /nfs/dbraw/zinc/42/97/92/1011429792.db2.gz KBVGZNQQLKSTFY-DOTOQJQBSA-N 0 1 404.264 3.533 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H](c4nnc5ccccn54)C3)co2)cc1 ZINC000536348693 1011554169 /nfs/dbraw/zinc/55/41/69/1011554169.db2.gz NJUOAVALRNOPSI-MRXNPFEDSA-N 0 1 404.430 3.672 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc5c(cc4[N+](=O)[O-])OCO5)C3)[nH]c2c1 ZINC000536456269 1011674796 /nfs/dbraw/zinc/67/47/96/1011674796.db2.gz YEMXJXULKLVRRD-CYBMUJFWSA-N 0 1 408.414 3.528 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(CC(=O)Nc4ccc([N+](=O)[O-])cc4C)C3)[nH]c2c1 ZINC000536470244 1011688711 /nfs/dbraw/zinc/68/87/11/1011688711.db2.gz AULGEWKAELBLHF-INIZCTEOSA-N 0 1 407.474 3.906 20 5 HHBDMN CNc1ccc(C(=O)Nc2cc(CN3CCSCC3)ccc2C)cc1[N+](=O)[O-] ZINC000523343674 1011822686 /nfs/dbraw/zinc/82/26/86/1011822686.db2.gz XVNJVAYMXCPHSJ-UHFFFAOYSA-N 0 1 400.504 3.746 20 5 HHBDMN CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@]1(c2ccccc2)CCCCC1=O ZINC000551738054 1011898737 /nfs/dbraw/zinc/89/87/37/1011898737.db2.gz UKOVAOTZHLCVTA-QHCPKHFHSA-N 0 1 423.469 3.863 20 5 HHBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000536768770 1011971015 /nfs/dbraw/zinc/97/10/15/1011971015.db2.gz RZNYXFLXCOZUAA-UHFFFAOYSA-N 0 1 416.388 3.763 20 5 HHBDMN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000523522889 1012049361 /nfs/dbraw/zinc/04/93/61/1012049361.db2.gz HTWYCTRYCSXPIF-QWHCGFSZSA-N 0 1 405.476 3.819 20 5 HHBDMN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCc2ccccc2C1 ZINC000523528399 1012056815 /nfs/dbraw/zinc/05/68/15/1012056815.db2.gz ZHGJSIFPTWVEAM-ZDUSSCGKSA-N 0 1 418.291 3.534 20 5 HHBDMN Cc1c([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)nnn1-c1ccc(Cl)cc1 ZINC000536860136 1012093698 /nfs/dbraw/zinc/09/36/98/1012093698.db2.gz WRDLYSSXCQIQQU-ZDUSSCGKSA-N 0 1 401.854 3.867 20 5 HHBDMN CCc1[nH]nc(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c1[N+](=O)[O-] ZINC000552213519 1012226026 /nfs/dbraw/zinc/22/60/26/1012226026.db2.gz WCYXPYXBLAXDOD-UHFFFAOYSA-N 0 1 418.282 3.663 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(CC(=O)Nc4cc([N+](=O)[O-])ccc4C)C3)[nH]c2c1 ZINC000537016969 1012318112 /nfs/dbraw/zinc/31/81/12/1012318112.db2.gz BVPYASDFFUAWGJ-INIZCTEOSA-N 0 1 407.474 3.906 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN(CC(=O)Nc4c(C)cccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000537021361 1012327016 /nfs/dbraw/zinc/32/70/16/1012327016.db2.gz SARCTXOIAQMFJD-MRXNPFEDSA-N 0 1 407.474 3.906 20 5 HHBDMN CCc1ccc([C@H](NC[C@H]2CN(CC(C)C)CCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549871 1012335293 /nfs/dbraw/zinc/33/52/93/1012335293.db2.gz KSZQOJAFQPHBEK-RBBKRZOGSA-N 0 1 401.507 3.786 20 5 HHBDMN COc1cc(C)c([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000537088821 1012446304 /nfs/dbraw/zinc/44/63/04/1012446304.db2.gz ZIQUZCITGIWJNG-GFCCVEGCSA-N 0 1 407.854 3.863 20 5 HHBDMN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000537123659 1012506075 /nfs/dbraw/zinc/50/60/75/1012506075.db2.gz BESMWSVNTNMBGO-XOBRGWDASA-N 0 1 413.449 3.979 20 5 HHBDMN C[C@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cn(-c2ccccc2)nn1 ZINC000541690873 1012534724 /nfs/dbraw/zinc/53/47/24/1012534724.db2.gz JKRKPJFCULKPLM-HNNXBMFYSA-N 0 1 404.430 3.724 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541702421 1012551326 /nfs/dbraw/zinc/55/13/26/1012551326.db2.gz ZGEHMJXTHMHFKE-LPHOPBHVSA-N 0 1 417.437 3.533 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCc3c(Br)ccc(F)c3C2)c1[N+](=O)[O-] ZINC000541767169 1012632662 /nfs/dbraw/zinc/63/26/62/1012632662.db2.gz STBRAZOXUDNKIO-UHFFFAOYSA-N 0 1 411.231 3.541 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)N1CCCC1 ZINC000541780294 1012649218 /nfs/dbraw/zinc/64/92/18/1012649218.db2.gz HKCGNIFNFDAGPI-SFHVURJKSA-N 0 1 402.426 3.701 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1[N+](=O)[O-] ZINC000537395202 1012876892 /nfs/dbraw/zinc/87/68/92/1012876892.db2.gz VOWHFABKVIXMCN-UHFFFAOYSA-N 0 1 410.411 3.907 20 5 HHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000537523099 1013040117 /nfs/dbraw/zinc/04/01/17/1013040117.db2.gz NERLMUVTWGMARU-UHFFFAOYSA-N 0 1 413.459 3.715 20 5 HHBDMN CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000488204550 1072123426 /nfs/dbraw/zinc/12/34/26/1072123426.db2.gz RRAAHRAWCSRSPU-OAHLLOKOSA-N 0 1 411.930 3.876 20 5 HHBDMN Nc1cc(NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cc(CO)c1[N+](=O)[O-] ZINC000587240161 1072530558 /nfs/dbraw/zinc/53/05/58/1072530558.db2.gz ZUKHTAODXXMIMC-FQEVSTJZSA-N 0 1 424.526 3.942 20 5 HHBDMN CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000479388561 1072801499 /nfs/dbraw/zinc/80/14/99/1072801499.db2.gz JWRBISOJKAYADA-KUHUBIRLSA-N 0 1 417.487 3.656 20 5 HHBDMN COc1cc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1OCCO ZINC000555421241 1073444845 /nfs/dbraw/zinc/44/48/45/1073444845.db2.gz WOXWKYFAHAPEMY-GFCCVEGCSA-N 0 1 414.380 3.844 20 5 HHBDMN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)c(Br)c1 ZINC000590194980 1073644240 /nfs/dbraw/zinc/64/42/40/1073644240.db2.gz OSWLPAGGFZMCAP-PIGZYNQJSA-N 0 1 422.254 3.953 20 5 HHBDMN COc1cc([C@H](NCc2cc(O)ccc2[N+](=O)[O-])C(F)(F)F)cc(OC)c1OC ZINC000590170939 1073658332 /nfs/dbraw/zinc/65/83/32/1073658332.db2.gz LNGVRNVERWOKGE-KRWDZBQOSA-N 0 1 416.352 3.719 20 5 HHBDMN O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000590348006 1073753336 /nfs/dbraw/zinc/75/33/36/1073753336.db2.gz CQZBRQLLGNNYTI-GFCCVEGCSA-N 0 1 418.475 3.738 20 5 HHBDMN CCOC(=O)c1c[nH]c(NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n1 ZINC000590355327 1073759368 /nfs/dbraw/zinc/75/93/68/1073759368.db2.gz OOKLEJOMHPSTDM-UHFFFAOYSA-N 0 1 404.448 3.782 20 5 HHBDMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000760886687 1074514252 /nfs/dbraw/zinc/51/42/52/1074514252.db2.gz OVXRGOQKTOWBEV-GJZGRUSLSA-N 0 1 416.478 3.985 20 5 HHBDMN Cc1c(NC(=O)CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cccc1[N+](=O)[O-] ZINC000592994602 1075155363 /nfs/dbraw/zinc/15/53/63/1075155363.db2.gz ZIHQWSFIDBIZNC-UHFFFAOYSA-N 0 1 423.473 3.624 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000592994563 1075155396 /nfs/dbraw/zinc/15/53/96/1075155396.db2.gz NKCURBCXQZVYPO-UHFFFAOYSA-N 0 1 423.473 3.624 20 5 HHBDMN COc1cc(CN2CCC[C@@H](CO)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000574932993 1075440532 /nfs/dbraw/zinc/44/05/32/1075440532.db2.gz WNCYYWQIPIQKNR-QGZVFWFLSA-N 0 1 400.475 3.777 20 5 HHBDMN Cc1nc(CN2CCCC23CCN(c2cnc4cc([N+](=O)[O-])ccc4n2)CC3)cs1 ZINC001164692842 719805436 /nfs/dbraw/zinc/80/54/36/719805436.db2.gz PTESNKIZYKRAMY-UHFFFAOYSA-N 0 1 424.530 3.938 20 5 HHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])[C@H]2C ZINC001164863211 720941524 /nfs/dbraw/zinc/94/15/24/720941524.db2.gz YVKPGLXZBTTXIJ-NSHDSACASA-N 0 1 413.309 3.915 20 5 HHBDMN O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164903707 721584757 /nfs/dbraw/zinc/58/47/57/721584757.db2.gz BTLAVZTWLMNIFF-SFHVURJKSA-N 0 1 423.851 3.776 20 5 HHBDMN COc1c(C)cnc(CN2CCC(N(C)c3ccc([N+](=O)[O-])cc3F)CC2)c1C ZINC000301166599 970783642 /nfs/dbraw/zinc/78/36/42/970783642.db2.gz CVEUMXGOVQQOGJ-UHFFFAOYSA-N 0 1 402.470 3.855 20 5 HHBDMN CN(C)[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1cccs1 ZINC000301176528 970789248 /nfs/dbraw/zinc/78/92/48/970789248.db2.gz LOQCKIBJSBLCMU-OAHLLOKOSA-N 0 1 419.894 3.570 20 5 HHBDMN C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301585504 970990584 /nfs/dbraw/zinc/99/05/84/970990584.db2.gz ORWHZGQKMSDULU-DLBZAZTESA-N 0 1 418.519 3.680 20 5 HHBDMN Cc1cccc2nc(CNc3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])[nH]c21 ZINC000301852011 971086393 /nfs/dbraw/zinc/08/63/93/971086393.db2.gz ATKYIBXCEAQOPL-UHFFFAOYSA-N 0 1 414.365 3.685 20 5 HHBDMN O=[N+]([O-])c1cncc(Br)c1N1CCCN(CCCc2ccccc2)CC1 ZINC000301860366 971089254 /nfs/dbraw/zinc/08/92/54/971089254.db2.gz DKJQVDLIYOANRG-UHFFFAOYSA-N 0 1 419.323 3.897 20 5 HHBDMN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1CN1CCCCC1 ZINC000302709353 971287051 /nfs/dbraw/zinc/28/70/51/971287051.db2.gz KTCSQZFQRDEQBA-UHFFFAOYSA-N 0 1 403.504 3.596 20 5 HHBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000303300897 971611294 /nfs/dbraw/zinc/61/12/94/971611294.db2.gz PXEWCGCOROFEOG-UHFFFAOYSA-N 0 1 408.393 3.811 20 5 HHBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCc1ccc(Br)cc1 ZINC000303317327 971625264 /nfs/dbraw/zinc/62/52/64/971625264.db2.gz QKPGFSBIGDJBSF-CYBMUJFWSA-N 0 1 406.280 3.859 20 5 HHBDMN CN(CCCc1cc(-c2ccccc2)no1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000303321900 971628097 /nfs/dbraw/zinc/62/80/97/971628097.db2.gz AFFGLYIHJLKMFY-QFIPXVFZSA-N 0 1 420.469 3.920 20 5 HHBDMN O=C(Nc1ccccc1CN1CCSCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000303505164 971804306 /nfs/dbraw/zinc/80/43/06/971804306.db2.gz SAKNCJRNTYOFOB-UHFFFAOYSA-N 0 1 424.482 3.650 20 5 HHBDMN CC[C@@H](C)CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000303532638 971833220 /nfs/dbraw/zinc/83/32/20/971833220.db2.gz RYYIEVIQSPAGMW-CQSZACIVSA-N 0 1 419.503 3.822 20 5 HHBDMN O=C(c1cc([N+](=O)[O-])c[nH]1)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000553196650 1013156353 /nfs/dbraw/zinc/15/63/53/1013156353.db2.gz XPNSBEYKCSJHGD-HXUWFJFHSA-N 0 1 419.485 3.625 20 5 HHBDMN O=C(c1cc([N+](=O)[O-])c[nH]1)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000553196649 1013156381 /nfs/dbraw/zinc/15/63/81/1013156381.db2.gz XPNSBEYKCSJHGD-FQEVSTJZSA-N 0 1 419.485 3.625 20 5 HHBDMN COc1ccc2nc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)[nH]c2c1 ZINC000004252195 960568537 /nfs/dbraw/zinc/56/85/37/960568537.db2.gz CMVFCEXQYHBPLB-SNVBAGLBSA-N 0 1 402.432 3.608 20 5 HHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000006813537 960944719 /nfs/dbraw/zinc/94/47/19/960944719.db2.gz HAMDNASZZBJIDC-UHFFFAOYSA-N 0 1 400.441 3.772 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000537651599 1013213115 /nfs/dbraw/zinc/21/31/15/1013213115.db2.gz JNUYCNQEZLBXFC-UHFFFAOYSA-N 0 1 404.366 3.869 20 5 HHBDMN CC(C)[C@H](Cc1ccc(F)cc1)N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542280954 1013241285 /nfs/dbraw/zinc/24/12/85/1013241285.db2.gz YTXDVAARJALHCK-FQEVSTJZSA-N 0 1 408.495 3.707 20 5 HHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000537731986 1013293059 /nfs/dbraw/zinc/29/30/59/1013293059.db2.gz DHGRDLNWGGIBSY-GOSISDBHSA-N 0 1 413.474 3.569 20 5 HHBDMN COc1cccc([C@H]2[C@@H](Nc3ncnc4sc([N+](=O)[O-])cc43)CC[N@H+]2C2CC2)c1 ZINC000553518855 1013417955 /nfs/dbraw/zinc/41/79/55/1013417955.db2.gz NQFZBYRXWUWDME-WMZOPIPTSA-N 0 1 411.487 3.998 20 5 HHBDMN Cc1ccc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000542475636 1013423354 /nfs/dbraw/zinc/42/33/54/1013423354.db2.gz CHZXNQMWJKHSIN-OAHLLOKOSA-N 0 1 405.336 3.560 20 5 HHBDMN Cc1c(NC(=O)[C@H](C)Sc2nc(-c3ccccc3F)n[nH]2)cccc1[N+](=O)[O-] ZINC000022203442 963609194 /nfs/dbraw/zinc/60/91/94/963609194.db2.gz WTVNYBQFOKWNTR-NSHDSACASA-N 0 1 401.423 3.947 20 5 HHBDMN O=[N+]([O-])c1ccc(CNc2ccc3[nH]c(CCN4CCOCC4)nc3c2)c(Cl)c1 ZINC000542485930 1013433167 /nfs/dbraw/zinc/43/31/67/1013433167.db2.gz HEQITXHELVLJLX-UHFFFAOYSA-N 0 1 415.881 3.611 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1C ZINC000022960109 963743557 /nfs/dbraw/zinc/74/35/57/963743557.db2.gz SYZWGHSDFUTRSC-UHFFFAOYSA-N 0 1 405.476 3.541 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNC[C@@H]2CCCS2(=O)=O)cc1 ZINC000553580497 1013477492 /nfs/dbraw/zinc/47/74/92/1013477492.db2.gz DOIKXBRYHNWXEF-INIZCTEOSA-N 0 1 410.879 3.707 20 5 HHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000025509870 964289797 /nfs/dbraw/zinc/28/97/97/964289797.db2.gz UBWNLOZUWQCIBR-UHFFFAOYSA-N 0 1 423.878 3.593 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccs1 ZINC000050551417 964351855 /nfs/dbraw/zinc/35/18/55/964351855.db2.gz QMHQJLAQSPGGBC-OAHLLOKOSA-N 0 1 402.501 3.813 20 5 HHBDMN O=C(CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026219338 964488671 /nfs/dbraw/zinc/48/86/71/964488671.db2.gz DWOLGIGHTQVYLQ-UHFFFAOYSA-N 0 1 422.407 3.764 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000542626824 1013562592 /nfs/dbraw/zinc/56/25/92/1013562592.db2.gz MCLCFGMICNXPPG-PKOBYXMFSA-N 0 1 401.438 3.833 20 5 HHBDMN CN(C(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000029380040 965365279 /nfs/dbraw/zinc/36/52/79/965365279.db2.gz XIFHJFFYWVVSOE-UHFFFAOYSA-N 0 1 403.851 3.788 20 5 HHBDMN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000054210426 965426163 /nfs/dbraw/zinc/42/61/63/965426163.db2.gz ZIRUCQXWOMZDAF-AWEZNQCLSA-N 0 1 419.279 3.603 20 5 HHBDMN Cc1cc(Cl)cc2c1OCCC[C@H]2NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542665033 1013590568 /nfs/dbraw/zinc/59/05/68/1013590568.db2.gz AHGRJHJDICVRPT-GOSISDBHSA-N 0 1 424.906 3.834 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c(Cl)c1 ZINC000055631429 965975347 /nfs/dbraw/zinc/97/53/47/965975347.db2.gz BMOYTSJVSXUFKP-OAHLLOKOSA-N 0 1 412.851 3.607 20 5 HHBDMN CCc1ccc([C@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000060159927 966070778 /nfs/dbraw/zinc/07/07/78/966070778.db2.gz UYDDITJMPPDXGE-NRFANRHFSA-N 0 1 421.501 3.837 20 5 HHBDMN CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000060569513 966210634 /nfs/dbraw/zinc/21/06/34/966210634.db2.gz HBMCDHXWQVSCTG-YLJYHZDGSA-N 0 1 417.531 3.749 20 5 HHBDMN C[C@@H](N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056159846 966239911 /nfs/dbraw/zinc/23/99/11/966239911.db2.gz WCOCZRZHMGXRIR-ZIAGYGMSSA-N 0 1 411.462 3.557 20 5 HHBDMN O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000056366011 966316204 /nfs/dbraw/zinc/31/62/04/966316204.db2.gz UCLXTYZMODDQLD-UHFFFAOYSA-N 0 1 414.849 3.603 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000060919564 966326247 /nfs/dbraw/zinc/32/62/47/966326247.db2.gz HSOFUZYOIJQKDN-GOSISDBHSA-N 0 1 414.487 3.868 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])[nH]c2c1 ZINC000060919605 966326547 /nfs/dbraw/zinc/32/65/47/966326547.db2.gz KYNHVJIZHVOFEP-QGZVFWFLSA-N 0 1 414.487 3.922 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000056933034 966519788 /nfs/dbraw/zinc/51/97/88/966519788.db2.gz LIXKXLGXVYVSMI-HXUWFJFHSA-N 0 1 412.490 3.630 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000041886353 966660387 /nfs/dbraw/zinc/66/03/87/966660387.db2.gz QJYYEDRMDVVFCK-VMPITWQZSA-N 0 1 408.502 3.563 20 5 HHBDMN Cc1cccc(N2CCN(CCCNC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000043149269 966919054 /nfs/dbraw/zinc/91/90/54/966919054.db2.gz IVFBCDJVLSUBKQ-UHFFFAOYSA-N 0 1 411.506 3.545 20 5 HHBDMN COc1cccc([C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)N2CCCC2)c1 ZINC000043944095 967079471 /nfs/dbraw/zinc/07/94/71/967079471.db2.gz FJPDKPGWYXEKQP-FQEVSTJZSA-N 0 1 415.515 3.649 20 5 HHBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000064736299 967278251 /nfs/dbraw/zinc/27/82/51/967278251.db2.gz ZOXDDCVVNIXGEX-SJCJKPOMSA-N 0 1 409.845 3.574 20 5 HHBDMN CCCCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CC1 ZINC000045370399 967441492 /nfs/dbraw/zinc/44/14/92/967441492.db2.gz UBSCEWQZARWPSO-UHFFFAOYSA-N 0 1 417.487 3.800 20 5 HHBDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000065604112 967542019 /nfs/dbraw/zinc/54/20/19/967542019.db2.gz AKGIEWWHROKARP-FQEVSTJZSA-N 0 1 424.501 3.577 20 5 HHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000538181168 1013739626 /nfs/dbraw/zinc/73/96/26/1013739626.db2.gz SWVYLHHLPPPIBP-DOTOQJQBSA-N 0 1 402.344 3.757 20 5 HHBDMN CC(=O)Nc1ccc(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000538178071 1013737437 /nfs/dbraw/zinc/73/74/37/1013737437.db2.gz PMQUWKHKLGDWGV-LLVKDONJSA-N 0 1 424.379 3.861 20 5 HHBDMN 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COc1cccc([C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)N2CCCC2)c1 ZINC000109331647 969500376 /nfs/dbraw/zinc/50/03/76/969500376.db2.gz IWDHEKKWPSIEBA-JOCHJYFZSA-N 0 1 422.485 3.511 20 5 HHBDMN C[C@H]1CN(Cc2ccc(CNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C[C@H](C)O1 ZINC000109874623 969582605 /nfs/dbraw/zinc/58/26/05/969582605.db2.gz YYZHIBJRCLVAIX-HOTGVXAUSA-N 0 1 422.485 3.615 20 5 HHBDMN CC(C)CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H](O)c1ccc(F)cc1 ZINC000112655964 969821591 /nfs/dbraw/zinc/82/15/91/969821591.db2.gz FGSYIVSUWXNEHR-IBGZPJMESA-N 0 1 414.437 3.976 20 5 HHBDMN COc1cc(C=C(Cl)c2nc3ccc(Cl)cc3c(=O)[nH]2)cc([N+](=O)[O-])c1O ZINC000229964013 970134298 /nfs/dbraw/zinc/13/42/98/970134298.db2.gz CZNQTSSFFMBHNA-NYYWCZLTSA-N 0 1 408.197 3.936 20 5 HHBDMN COc1ccc(CNC(=O)CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000237313186 970260786 /nfs/dbraw/zinc/26/07/86/970260786.db2.gz RICDLZPEBUZQFA-UHFFFAOYSA-N 0 1 411.483 3.738 20 5 HHBDMN COc1ccc(-c2ccc(CNCCNC(=O)c3ccccc3F)o2)c([N+](=O)[O-])c1 ZINC000237427117 970283994 /nfs/dbraw/zinc/28/39/94/970283994.db2.gz OBUCSQGOFWMZTJ-UHFFFAOYSA-N 0 1 413.405 3.522 20 5 HHBDMN C[C@@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000237469195 970294038 /nfs/dbraw/zinc/29/40/38/970294038.db2.gz UASDTNADEZZAQI-MRXNPFEDSA-N 0 1 421.501 3.840 20 5 HHBDMN Cn1cc(CNCc2ccnc(OCC(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237667457 970335039 /nfs/dbraw/zinc/33/50/39/970335039.db2.gz LHSHMOXAPBYFJI-UHFFFAOYSA-N 0 1 421.379 3.621 20 5 HHBDMN CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000554599221 1013986442 /nfs/dbraw/zinc/98/64/42/1013986442.db2.gz NIDYHRMEWQXLMJ-INIZCTEOSA-N 0 1 413.468 3.906 20 5 HHBDMN COc1ccc(OC)c(CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CC2)c1 ZINC000164584261 970449670 /nfs/dbraw/zinc/44/96/70/970449670.db2.gz DWMGBLWFSOEZNY-UHFFFAOYSA-N 0 1 413.474 3.914 20 5 HHBDMN Cc1csc(Sc2ccc(C(=O)N3CCN(CC(C)C)CC3)cc2[N+](=O)[O-])n1 ZINC000255951367 970603627 /nfs/dbraw/zinc/60/36/27/970603627.db2.gz KUKSURORNYMOCH-UHFFFAOYSA-N 0 1 420.560 3.925 20 5 HHBDMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000305500213 972613377 /nfs/dbraw/zinc/61/33/77/972613377.db2.gz XROZKRDXMVIYSP-HNNXBMFYSA-N 0 1 418.291 3.752 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(F)c(Br)cc1F ZINC000391629253 972843179 /nfs/dbraw/zinc/84/31/79/972843179.db2.gz IRCQXZJAZHZYKX-UHFFFAOYSA-N 0 1 407.192 3.745 20 5 HHBDMN COc1cncc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000410381231 973978992 /nfs/dbraw/zinc/97/89/92/973978992.db2.gz IVMDDMYSDHJXQQ-UHFFFAOYSA-N 0 1 401.400 3.592 20 5 HHBDMN COC(=O)[C@@H](C)Oc1ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000425957975 974062159 /nfs/dbraw/zinc/06/21/59/974062159.db2.gz DKVFDOUHGYFSAC-GFCCVEGCSA-N 0 1 412.364 3.844 20 5 HHBDMN O=C(Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)C1CCCCC1 ZINC000425981346 974090940 /nfs/dbraw/zinc/09/09/40/974090940.db2.gz NKJMYKKSHDUCNH-UHFFFAOYSA-N 0 1 403.460 3.914 20 5 HHBDMN O=C([O-])[C@H](C[NH+]1CCCCC1)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000426716212 974612176 /nfs/dbraw/zinc/61/21/76/974612176.db2.gz LDTQEENKBTUILA-SFHVURJKSA-N 0 1 417.437 3.555 20 5 HHBDMN CC1(C)CCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000427142702 974936675 /nfs/dbraw/zinc/93/66/75/974936675.db2.gz JYBXQVVCPGXQMA-GOSISDBHSA-N 0 1 417.487 3.704 20 5 HHBDMN CC1(C)CCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000427142705 974937548 /nfs/dbraw/zinc/93/75/48/974937548.db2.gz JYBXQVVCPGXQMA-SFHVURJKSA-N 0 1 417.487 3.704 20 5 HHBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427457081 975128773 /nfs/dbraw/zinc/12/87/73/975128773.db2.gz RWJRJRJKZIROIK-IBGZPJMESA-N 0 1 422.832 3.776 20 5 HHBDMN C[C@H](N[C@@H](C)[C@H]1OCCc2sccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000427824267 975309784 /nfs/dbraw/zinc/30/97/84/975309784.db2.gz DTKDHHIROTWMDC-PSVSLLHZSA-N 0 1 409.895 3.929 20 5 HHBDMN Cc1cc(Br)c2c(c1)CN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)CC2 ZINC000428260372 975574234 /nfs/dbraw/zinc/57/42/34/975574234.db2.gz LAQSPVRDMDAQAT-UHFFFAOYSA-N 0 1 415.247 3.741 20 5 HHBDMN CCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](C)C(=O)Nc1ccccc1C ZINC000428297784 975608720 /nfs/dbraw/zinc/60/87/20/975608720.db2.gz UAVKPSNJSKOZKT-AWEZNQCLSA-N 0 1 409.446 3.659 20 5 HHBDMN O=C(CCc1nc[nH]n1)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000429088600 976375403 /nfs/dbraw/zinc/37/54/03/976375403.db2.gz UGMAVKFKNHJAMA-UHFFFAOYSA-N 0 1 419.800 3.547 20 5 HHBDMN Cc1ccc(NC(=O)N2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)cc1Cl ZINC000429686119 976979983 /nfs/dbraw/zinc/97/99/83/976979983.db2.gz RCJDTAKQIKPIAO-UHFFFAOYSA-N 0 1 404.854 3.612 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000431167389 978067502 /nfs/dbraw/zinc/06/75/02/978067502.db2.gz COJYZOKQNOYRDA-MRXNPFEDSA-N 0 1 410.243 3.529 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000431785804 978512245 /nfs/dbraw/zinc/51/22/45/978512245.db2.gz PMIMZUWNBOHDQW-MRXNPFEDSA-N 0 1 410.243 3.529 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1C ZINC000431915290 978598008 /nfs/dbraw/zinc/59/80/08/978598008.db2.gz AGZGIEMKPSBHKK-IEBWSBKVSA-N 0 1 417.531 3.543 20 5 HHBDMN Cc1ccc([C@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000431974074 978625967 /nfs/dbraw/zinc/62/59/67/978625967.db2.gz PWZIZWIXILXFPT-SFHVURJKSA-N 0 1 400.479 3.868 20 5 HHBDMN C[C@H](N[C@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000432333864 978765056 /nfs/dbraw/zinc/76/50/56/978765056.db2.gz IAFRKCNLKBPFBB-SJCJKPOMSA-N 0 1 404.264 3.813 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000432481626 978839063 /nfs/dbraw/zinc/83/90/63/978839063.db2.gz ZPSMCZVZZOVVEO-UHFFFAOYSA-N 0 1 414.443 3.885 20 5 HHBDMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433152984 979102149 /nfs/dbraw/zinc/10/21/49/979102149.db2.gz UNGFEBYCGCNYTR-BFUOFWGJSA-N 0 1 403.504 3.576 20 5 HHBDMN CC(=O)N1CCN(c2ccccc2CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433164275 979110134 /nfs/dbraw/zinc/11/01/34/979110134.db2.gz DVMWPOAHEDFAKB-QFIPXVFZSA-N 0 1 422.529 3.776 20 5 HHBDMN COc1ccc(CCN(CC(C)C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1OC ZINC000433756463 979550575 /nfs/dbraw/zinc/55/05/75/979550575.db2.gz CHWKTAXKMLOPIW-UHFFFAOYSA-N 0 1 418.494 3.799 20 5 HHBDMN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000434239854 980009249 /nfs/dbraw/zinc/00/92/49/980009249.db2.gz NJNONGNVPYDXIM-MRXNPFEDSA-N 0 1 421.448 3.629 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])c2C)o1 ZINC000434438266 980176995 /nfs/dbraw/zinc/17/69/95/980176995.db2.gz ROTPSKKGSUBOKB-LLVKDONJSA-N 0 1 404.810 4.254 20 5 HHBDMN CCC[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nn[nH]n1 ZINC000434779485 980394989 /nfs/dbraw/zinc/39/49/89/980394989.db2.gz VUXRDNYVXHIHOZ-CQSZACIVSA-N 0 1 416.825 3.825 20 5 HHBDMN COc1ccc(-c2n[nH]c(SCc3nc4cc([N+](=O)[O-])ccc4o3)n2)c(OC)c1 ZINC000434809086 980413180 /nfs/dbraw/zinc/41/31/80/980413180.db2.gz MXSOTUVDJXZYFF-UHFFFAOYSA-N 0 1 413.415 3.831 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1[N+](=O)[O-] ZINC000435738132 981010002 /nfs/dbraw/zinc/01/00/02/981010002.db2.gz OZZDVNRMKPAFDR-SECBINFHSA-N 0 1 417.413 3.936 20 5 HHBDMN C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCCC[C@H]1C ZINC000436096178 981197929 /nfs/dbraw/zinc/19/79/29/981197929.db2.gz FAQLULQELJFVDB-ZIAGYGMSSA-N 0 1 413.468 3.952 20 5 HHBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nnc(-c2ccncc2)n1CC(F)(F)F ZINC000436476694 981393910 /nfs/dbraw/zinc/39/39/10/981393910.db2.gz SXZSQBSPBPYZPB-UHFFFAOYSA-N 0 1 411.365 3.809 20 5 HHBDMN Cc1cc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000438434920 982790154 /nfs/dbraw/zinc/79/01/54/982790154.db2.gz AXUUHIHADFVPCI-OAHLLOKOSA-N 0 1 405.336 3.560 20 5 HHBDMN O=C(CCN1CCc2ccc([N+](=O)[O-])cc2C1)Nc1ccc(Br)cc1 ZINC000438534380 982871414 /nfs/dbraw/zinc/87/14/14/982871414.db2.gz VGQUXOAXWUPPFW-UHFFFAOYSA-N 0 1 404.264 3.744 20 5 HHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000439082839 983241680 /nfs/dbraw/zinc/24/16/80/983241680.db2.gz FHZAUGYSMONGDS-ZDUSSCGKSA-N 0 1 403.870 3.990 20 5 HHBDMN COc1ccc(OCCN(C)Cc2ccc(Br)s2)c([N+](=O)[O-])c1 ZINC000441180156 984103887 /nfs/dbraw/zinc/10/38/87/984103887.db2.gz MGESOWSTUQRUIF-UHFFFAOYSA-N 0 1 401.282 3.938 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441282361 984157450 /nfs/dbraw/zinc/15/74/50/984157450.db2.gz VDXPYGKJFJIVQT-JKSUJKDBSA-N 0 1 419.909 3.809 20 5 HHBDMN Cc1ccc([C@H](Cn2ccnc2)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000441386816 984224087 /nfs/dbraw/zinc/22/40/87/984224087.db2.gz XBIIFVNFNOGIAZ-VXKWHMMOSA-N 0 1 419.485 3.545 20 5 HHBDMN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000441543906 984313203 /nfs/dbraw/zinc/31/32/03/984313203.db2.gz RRBLTNHVGJGSCJ-HNNXBMFYSA-N 0 1 420.878 3.959 20 5 HHBDMN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000441553989 984319305 /nfs/dbraw/zinc/31/93/05/984319305.db2.gz VNFKGWPDLDQKLO-INIZCTEOSA-N 0 1 420.878 3.959 20 5 HHBDMN COCCOc1c(Cl)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000442243280 984765447 /nfs/dbraw/zinc/76/54/47/984765447.db2.gz QCKHPXSSFFUWDT-UHFFFAOYSA-N 0 1 421.258 3.728 20 5 HHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)c1 ZINC000442246060 984767516 /nfs/dbraw/zinc/76/75/16/984767516.db2.gz SZIHDSNMTYSWBG-UHFFFAOYSA-N 0 1 407.354 3.861 20 5 HHBDMN Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cccc1C(=O)Nc1ccccc1 ZINC000442312625 984809157 /nfs/dbraw/zinc/80/91/57/984809157.db2.gz DJTGYIRZOOKKLV-UHFFFAOYSA-N 0 1 411.439 3.956 20 5 HHBDMN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442354963 984860278 /nfs/dbraw/zinc/86/02/78/984860278.db2.gz FERVCDQWHDPNBS-AWEZNQCLSA-N 0 1 417.487 3.576 20 5 HHBDMN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Br)s1 ZINC000442741714 985197735 /nfs/dbraw/zinc/19/77/35/985197735.db2.gz WAQMIFSUXMRMCB-ZWNOBZJWSA-N 0 1 410.293 3.875 20 5 HHBDMN COc1cccc(-c2ccc(CNS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cc2)c1 ZINC000462391093 985371444 /nfs/dbraw/zinc/37/14/44/985371444.db2.gz CNBBCGKOJCSEBZ-UHFFFAOYSA-N 0 1 416.430 3.888 20 5 HHBDMN COc1ccccc1[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462474943 985432259 /nfs/dbraw/zinc/43/22/59/985432259.db2.gz OUTVPGCPEHAOOF-VIFPVBQESA-N 0 1 405.259 3.950 20 5 HHBDMN COc1cc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1C ZINC000462516179 985466594 /nfs/dbraw/zinc/46/65/94/985466594.db2.gz XGLGRWRMFIIJLP-UHFFFAOYSA-N 0 1 405.259 3.697 20 5 HHBDMN CCCOc1ncccc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462546252 985494251 /nfs/dbraw/zinc/49/42/51/985494251.db2.gz GEMWWYDBZWRWIE-UHFFFAOYSA-N 0 1 420.274 3.564 20 5 HHBDMN C[C@H](Cc1cccc(O)c1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000443372525 985533272 /nfs/dbraw/zinc/53/32/72/985533272.db2.gz KJISTMKZCSGBGF-SECBINFHSA-N 0 1 405.259 3.517 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)cc1 ZINC000443420007 985576498 /nfs/dbraw/zinc/57/64/98/985576498.db2.gz XTLNTODYKUHDGR-UHFFFAOYSA-N 0 1 410.757 3.990 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000443487415 985662118 /nfs/dbraw/zinc/66/21/18/985662118.db2.gz JYRYVLGISRLGOD-YGRLFVJLSA-N 0 1 411.307 3.511 20 5 HHBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1OCCCO ZINC000463035641 985994852 /nfs/dbraw/zinc/99/48/52/985994852.db2.gz IMUIRAKTXWJYKK-ZDUSSCGKSA-N 0 1 409.280 3.969 20 5 HHBDMN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000443963245 986170557 /nfs/dbraw/zinc/17/05/57/986170557.db2.gz SNCDDZIRSSCVGC-UHFFFAOYSA-N 0 1 423.391 3.667 20 5 HHBDMN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000443999291 986198058 /nfs/dbraw/zinc/19/80/58/986198058.db2.gz AEWLWIUVUWNOGJ-OKILXGFUSA-N 0 1 413.468 3.952 20 5 HHBDMN CC[C@@H]1CCCCN1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444027368 986221889 /nfs/dbraw/zinc/22/18/89/986221889.db2.gz CGRPBOSRLNWITP-MRXNPFEDSA-N 0 1 413.468 3.954 20 5 HHBDMN COc1cc(Br)cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000463427948 986399019 /nfs/dbraw/zinc/39/90/19/986399019.db2.gz JEPDVVUTWQNBSQ-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN CSCCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000463514344 986491076 /nfs/dbraw/zinc/49/10/76/986491076.db2.gz HTTMKCGFEGJGPW-UHFFFAOYSA-N 0 1 403.485 3.849 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)ccc1[N+](=O)[O-] ZINC000468945527 986649241 /nfs/dbraw/zinc/64/92/41/986649241.db2.gz LZCOKJWNEHMLIY-UHFFFAOYSA-N 0 1 418.431 3.578 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc(COC3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000468974469 986678831 /nfs/dbraw/zinc/67/88/31/986678831.db2.gz ODHCOYDIXFTUAH-UHFFFAOYSA-N 0 1 406.460 3.863 20 5 HHBDMN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)cc1OC ZINC000469003816 986709452 /nfs/dbraw/zinc/70/94/52/986709452.db2.gz KVKPOLZFCIXVFK-INIZCTEOSA-N 0 1 415.446 3.640 20 5 HHBDMN O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCC12CCC2 ZINC000444614974 986800683 /nfs/dbraw/zinc/80/06/83/986800683.db2.gz YQPAVOOAVKAEOS-UHFFFAOYSA-N 0 1 415.471 3.554 20 5 HHBDMN CCOc1cc(CNC2(c3ccc(OC)c(F)c3)CCOCC2)ccc1[N+](=O)[O-] ZINC000444814267 986967783 /nfs/dbraw/zinc/96/77/83/986967783.db2.gz SYMKENLKTNPDFS-UHFFFAOYSA-N 0 1 404.438 3.937 20 5 HHBDMN COc1cccc([C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)N2CCCC2)c1 ZINC000470149704 988057373 /nfs/dbraw/zinc/05/73/73/988057373.db2.gz BZTFZUANKALYLJ-IBGZPJMESA-N 0 1 402.426 3.701 20 5 HHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000470181687 988098240 /nfs/dbraw/zinc/09/82/40/988098240.db2.gz ASVVKOQOKZMSCG-SAPNQHFASA-N 0 1 418.515 3.803 20 5 HHBDMN Cc1c(Br)cc(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)cc1[N+](=O)[O-] ZINC000470312763 988270986 /nfs/dbraw/zinc/27/09/86/988270986.db2.gz IHSPSDVAZHHFSC-UHFFFAOYSA-N 0 1 409.284 3.959 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cc(-c3nc(C)co3)ccc2C)ccc1[N+](=O)[O-] ZINC000470453516 988434692 /nfs/dbraw/zinc/43/46/92/988434692.db2.gz VHXRESLWHLHPAO-UHFFFAOYSA-N 0 1 403.416 3.676 20 5 HHBDMN Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464778916 989005477 /nfs/dbraw/zinc/00/54/77/989005477.db2.gz TWYYCSJMEUJMDM-GOSISDBHSA-N 0 1 411.502 3.794 20 5 HHBDMN O=C(NCCc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000465615024 990000945 /nfs/dbraw/zinc/00/09/45/990000945.db2.gz GKEWUGZWVVHWEM-UHFFFAOYSA-N 0 1 416.909 3.755 20 5 HHBDMN Cc1ccc([C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)o1 ZINC000466222710 991439732 /nfs/dbraw/zinc/43/97/32/991439732.db2.gz HKZNYABOSCQOQJ-KRWDZBQOSA-N 0 1 406.870 3.786 20 5 HHBDMN O=[N+]([O-])c1cnc(NCc2ccccc2CN2CCN(c3ccccc3)CC2)s1 ZINC000472359835 993357808 /nfs/dbraw/zinc/35/78/08/993357808.db2.gz MZJNENBGSGBUHI-UHFFFAOYSA-N 0 1 409.515 3.986 20 5 HHBDMN Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000480732864 993598566 /nfs/dbraw/zinc/59/85/66/993598566.db2.gz SMVSXUPZRYJPOH-MJGOQNOKSA-N 0 1 417.531 3.543 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000481377834 994209420 /nfs/dbraw/zinc/20/94/20/994209420.db2.gz VQBRHAUAJFBCSN-QAPCUYQASA-N 0 1 423.560 3.635 20 5 HHBDMN CCCc1[nH]nc(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c1[N+](=O)[O-] ZINC000473394798 994248692 /nfs/dbraw/zinc/24/86/92/994248692.db2.gz KHGRGEVUIFXZSY-UHFFFAOYSA-N 0 1 410.818 3.834 20 5 HHBDMN COC(=O)COc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000473452710 994297954 /nfs/dbraw/zinc/29/79/54/994297954.db2.gz BBWBCXXUNKBGDD-UHFFFAOYSA-N 0 1 424.182 3.592 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)c3ncccc23)cc1 ZINC000481857030 994713794 /nfs/dbraw/zinc/71/37/94/994713794.db2.gz QEUCSGZHQFNWKX-UHFFFAOYSA-N 0 1 412.471 3.934 20 5 HHBDMN C[NH+](C)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000481869774 994732806 /nfs/dbraw/zinc/73/28/06/994732806.db2.gz PGWVWXISGKMIIW-UHFFFAOYSA-N 0 1 404.275 3.764 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)CCN2C2CC2)c1 ZINC000482007037 994912058 /nfs/dbraw/zinc/91/20/58/994912058.db2.gz GHCFCUBVUSKEKM-VQTJNVASSA-N 0 1 415.877 3.965 20 5 HHBDMN COC(=O)c1ccccc1-c1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000482009940 994916071 /nfs/dbraw/zinc/91/60/71/994916071.db2.gz QINYXQPWESYYSY-OAHLLOKOSA-N 0 1 422.441 3.723 20 5 HHBDMN COC(=O)COc1ccc(CNCc2cc(Br)ccc2C)cc1[N+](=O)[O-] ZINC000473980850 994967095 /nfs/dbraw/zinc/96/70/95/994967095.db2.gz AGMYPCGGDDZWEK-UHFFFAOYSA-N 0 1 423.263 3.507 20 5 HHBDMN COc1cccc([C@H]2[C@H](NC(=O)Cc3cccc([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000482096542 995039444 /nfs/dbraw/zinc/03/94/44/995039444.db2.gz BMQCFQOHFCRFDP-OFNKIYASSA-N 0 1 409.486 3.549 20 5 HHBDMN COc1c(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000474207889 995203084 /nfs/dbraw/zinc/20/30/84/995203084.db2.gz UCAKXSYGYOWEGE-KRWDZBQOSA-N 0 1 403.504 3.868 20 5 HHBDMN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(F)cc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000474438701 995400374 /nfs/dbraw/zinc/40/03/74/995400374.db2.gz KERCYDWYUWIQAN-MRXNPFEDSA-N 0 1 421.812 3.645 20 5 HHBDMN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000474538410 995505582 /nfs/dbraw/zinc/50/55/82/995505582.db2.gz ICIFXCWPXJTFOF-UHFFFAOYSA-N 0 1 421.457 3.887 20 5 HHBDMN COc1ccc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000482527078 995535673 /nfs/dbraw/zinc/53/56/73/995535673.db2.gz HKUHXRIZKADXKJ-MRXNPFEDSA-N 0 1 407.352 3.620 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1SC ZINC000475303836 996057023 /nfs/dbraw/zinc/05/70/23/996057023.db2.gz OOJNVIJBRLNIMS-MRXNPFEDSA-N 0 1 415.515 3.672 20 5 HHBDMN CC(C)C[C@]1(CO)CCCN1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000475690355 996302614 /nfs/dbraw/zinc/30/26/14/996302614.db2.gz AOHAEYGNFRFQRR-FQEVSTJZSA-N 0 1 418.519 3.530 20 5 HHBDMN NC(=O)c1ccc(CN(Cc2cccc(Br)c2)CC2CC2)c([N+](=O)[O-])c1 ZINC000475742457 996340848 /nfs/dbraw/zinc/34/08/48/996340848.db2.gz QHIWPGOJZUEZOT-UHFFFAOYSA-N 0 1 418.291 3.868 20 5 HHBDMN O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475918000 996471083 /nfs/dbraw/zinc/47/10/83/996471083.db2.gz ISQPSRJQPJEREA-UHFFFAOYSA-N 0 1 403.394 3.756 20 5 HHBDMN CS[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000476058826 996572415 /nfs/dbraw/zinc/57/24/15/996572415.db2.gz FINALXPXBZQDMG-NHCUHLMSSA-N 0 1 411.527 3.842 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)c1C ZINC000484135098 996590275 /nfs/dbraw/zinc/59/02/75/996590275.db2.gz FFKAXRMMVHNTFR-UHFFFAOYSA-N 0 1 423.454 3.951 20 5 HHBDMN Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000476268066 996718900 /nfs/dbraw/zinc/71/89/00/996718900.db2.gz CVNJOXNHRIXHKK-GOSISDBHSA-N 0 1 410.430 3.592 20 5 HHBDMN COc1c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cccc1[N+](=O)[O-] ZINC000476591596 997094425 /nfs/dbraw/zinc/09/44/25/997094425.db2.gz DEVJGVKNLKBXGY-OAHLLOKOSA-N 0 1 413.478 3.789 20 5 HHBDMN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCCN(Cc2ccccc2)CC1 ZINC000484876146 997241076 /nfs/dbraw/zinc/24/10/76/997241076.db2.gz BLWUGXSADPGXQU-UHFFFAOYSA-N 0 1 405.401 3.544 20 5 HHBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477269584 997946086 /nfs/dbraw/zinc/94/60/86/997946086.db2.gz RWUHXQWCZHMGNG-AWEZNQCLSA-N 0 1 400.483 3.564 20 5 HHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])c1 ZINC000485831261 998297134 /nfs/dbraw/zinc/29/71/34/998297134.db2.gz GNFTXXAAUSIDPM-NWDGAFQWSA-N 0 1 400.460 3.891 20 5 HHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000485948628 998392441 /nfs/dbraw/zinc/39/24/41/998392441.db2.gz ZQFRXWJMSDHOOR-LLVKDONJSA-N 0 1 408.785 3.873 20 5 HHBDMN C[N@H+]1CC[C@@H]([N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485994471 998437711 /nfs/dbraw/zinc/43/77/11/998437711.db2.gz PPMFSKOBGBBGDG-SJORKVTESA-N 0 1 401.373 3.780 20 5 HHBDMN CN1CC[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485994471 998437716 /nfs/dbraw/zinc/43/77/16/998437716.db2.gz PPMFSKOBGBBGDG-SJORKVTESA-N 0 1 401.373 3.780 20 5 HHBDMN C[C@H]1CC[C@@H](CNC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000478131525 998776336 /nfs/dbraw/zinc/77/63/36/998776336.db2.gz GXUFTWMMWLSVAP-LSDHHAIUSA-N 0 1 417.487 3.562 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)cc(Br)c2F)c(F)c1 ZINC000486573347 998835197 /nfs/dbraw/zinc/83/51/97/998835197.db2.gz IMFHUSCEJUUODE-UHFFFAOYSA-N 0 1 411.155 3.575 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1C)N1CCCC1 ZINC000478439352 998958866 /nfs/dbraw/zinc/95/88/66/998958866.db2.gz WTHZSJXBNOGSPZ-FQEVSTJZSA-N 0 1 412.490 3.548 20 5 HHBDMN COc1ccc(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000488295849 999427250 /nfs/dbraw/zinc/42/72/50/999427250.db2.gz QQBDWXVAUBAYIC-UHFFFAOYSA-N 0 1 424.328 3.571 20 5 HHBDMN COc1cccc([C@H]2[C@H](NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000488365260 999459087 /nfs/dbraw/zinc/45/90/87/999459087.db2.gz DRJRVLVSOBIZQB-IRLDBZIGSA-N 0 1 424.501 3.723 20 5 HHBDMN Cc1nn(Cc2ccc(C(=O)Nc3nc4ccc(F)cc4[nH]3)cc2)c(C)c1[N+](=O)[O-] ZINC000488917819 999646783 /nfs/dbraw/zinc/64/67/83/999646783.db2.gz MWSOTKDCJZRFQX-UHFFFAOYSA-N 0 1 408.393 3.724 20 5 HHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(Br)c4cccnc34)CC2)n1 ZINC000489017565 999673012 /nfs/dbraw/zinc/67/30/12/999673012.db2.gz RYUDBYIBYYPJEU-UHFFFAOYSA-N 0 1 416.279 3.939 20 5 HHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n[nH]1 ZINC000489189449 999719226 /nfs/dbraw/zinc/71/92/26/999719226.db2.gz JYOGZVAHDWGREN-VHSXEESVSA-N 0 1 415.372 3.659 20 5 HHBDMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000480263764 999758939 /nfs/dbraw/zinc/75/89/39/999758939.db2.gz KDPDEKZXAAGLPW-UHFFFAOYSA-N 0 1 420.351 3.763 20 5 HHBDMN COC(=O)c1csc(-c2cccc(CNCc3ccc(OC)c([N+](=O)[O-])c3)c2)n1 ZINC000480470056 999806535 /nfs/dbraw/zinc/80/65/35/999806535.db2.gz NDXBGLLKQNQXCS-UHFFFAOYSA-N 0 1 413.455 3.803 20 5 HHBDMN COc1cc(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000489992121 999874384 /nfs/dbraw/zinc/87/43/84/999874384.db2.gz XPGMCWDPXXQESA-AWEZNQCLSA-N 0 1 404.854 3.503 20 5 HHBDMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000490314645 999934438 /nfs/dbraw/zinc/93/44/38/999934438.db2.gz HSHBNZKNNMGAHQ-UHFFFAOYSA-N 0 1 408.292 3.513 20 5 HHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(OCC(F)(F)F)cc1 ZINC000490372496 999946796 /nfs/dbraw/zinc/94/67/96/999946796.db2.gz VIWNHBWMPDNUMZ-UHFFFAOYSA-N 0 1 407.308 3.573 20 5 HHBDMN COc1cc(CN2CC[C@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491227406 1000056824 /nfs/dbraw/zinc/05/68/24/1000056824.db2.gz CVFMLZLMOQTHMF-INIZCTEOSA-N 0 1 407.417 3.934 20 5 HHBDMN COCCOc1c(Cl)cccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491587521 1000086466 /nfs/dbraw/zinc/08/64/66/1000086466.db2.gz YZFOLLAEZNLIBF-UHFFFAOYSA-N 0 1 414.867 3.691 20 5 HHBDMN CCOc1cc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)ccc1[N+](=O)[O-] ZINC000492515857 1000130449 /nfs/dbraw/zinc/13/04/49/1000130449.db2.gz SDCGOMYKTIHFJD-OAHLLOKOSA-N 0 1 418.881 3.893 20 5 HHBDMN COc1ccc(C(=O)NCCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000493156187 1000160580 /nfs/dbraw/zinc/16/05/80/1000160580.db2.gz WZYPZEURDURWMV-QFIPXVFZSA-N 0 1 405.454 3.712 20 5 HHBDMN Cc1ccc(C)c(S(=O)(=O)N(c2ccccc2)C2CCN(C)CC2)c1[N+](=O)[O-] 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1000453251 /nfs/dbraw/zinc/45/32/51/1000453251.db2.gz VHDQTOCCXKGONU-CABCVRRESA-N 0 1 421.519 3.656 20 5 HHBDMN O=C(CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494500686 1000527336 /nfs/dbraw/zinc/52/73/36/1000527336.db2.gz FMCJKCRAGLQLQL-WMZOPIPTSA-N 0 1 410.257 3.960 20 5 HHBDMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494500682 1000527411 /nfs/dbraw/zinc/52/74/11/1000527411.db2.gz FMCJKCRAGLQLQL-AEFFLSMTSA-N 0 1 410.257 3.960 20 5 HHBDMN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccn(-c4ccncc4)n3)cc2[N+](=O)[O-])C1 ZINC000505117203 1000558688 /nfs/dbraw/zinc/55/86/88/1000558688.db2.gz AJEZNFSOADAUPC-HZPDHXFCSA-N 0 1 420.473 3.910 20 5 HHBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCC2(C1)CCOCC2 ZINC000494900620 1000720208 /nfs/dbraw/zinc/72/02/08/1000720208.db2.gz AXUBDHPRLMTPPS-AWEZNQCLSA-N 0 1 416.503 3.548 20 5 HHBDMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000494931135 1000735804 /nfs/dbraw/zinc/73/58/04/1000735804.db2.gz QATMHIQKKGOYHW-UHFFFAOYSA-N 0 1 417.878 3.662 20 5 HHBDMN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505736854 1000999920 /nfs/dbraw/zinc/99/99/20/1000999920.db2.gz TYXLBBVVIVCKRJ-UHFFFAOYSA-N 0 1 407.430 3.846 20 5 HHBDMN O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000505923089 1001104073 /nfs/dbraw/zinc/10/40/73/1001104073.db2.gz PRJXJISZCQHXPX-UHFFFAOYSA-N 0 1 423.391 3.667 20 5 HHBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000496644329 1001209033 /nfs/dbraw/zinc/20/90/33/1001209033.db2.gz TYUBUQOJORPQQC-ICSRJNTNSA-N 0 1 415.515 3.509 20 5 HHBDMN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000497128151 1001273215 /nfs/dbraw/zinc/27/32/15/1001273215.db2.gz ZADCPQCRERANKL-QGZVFWFLSA-N 0 1 402.414 3.839 20 5 HHBDMN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000497128151 1001273221 /nfs/dbraw/zinc/27/32/21/1001273221.db2.gz ZADCPQCRERANKL-QGZVFWFLSA-N 0 1 402.414 3.839 20 5 HHBDMN CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000506244928 1001303005 /nfs/dbraw/zinc/30/30/05/1001303005.db2.gz FYHPBLBNEBFCMN-INIZCTEOSA-N 0 1 422.279 3.670 20 5 HHBDMN O=C(Nc1ccc(OCc2cn3ccccc3n2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506330394 1001359048 /nfs/dbraw/zinc/35/90/48/1001359048.db2.gz DPHBSEVGLZYYJK-UHFFFAOYSA-N 0 1 404.382 3.779 20 5 HHBDMN O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506364583 1001379308 /nfs/dbraw/zinc/37/93/08/1001379308.db2.gz ROHDHKLUQKNQNM-UHFFFAOYSA-N 0 1 412.423 3.527 20 5 HHBDMN CC[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)c(OC)c1 ZINC000506640405 1001480016 /nfs/dbraw/zinc/48/00/16/1001480016.db2.gz YWAXXTLDEROXHD-BBRMVZONSA-N 0 1 417.462 3.689 20 5 HHBDMN CN1CCO[C@H]([C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000498352935 1001790654 /nfs/dbraw/zinc/79/06/54/1001790654.db2.gz JLYKACSNTWUCMK-QSTNGILNSA-N 0 1 401.894 3.923 20 5 HHBDMN O=C(c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)N1CCc2ccccc21 ZINC000498433280 1001863671 /nfs/dbraw/zinc/86/36/71/1001863671.db2.gz LZMKJUYKTHOCHQ-UHFFFAOYSA-N 0 1 423.450 3.599 20 5 HHBDMN C[C@H]1CN(Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C[C@H](C)O1 ZINC000507297512 1001980946 /nfs/dbraw/zinc/98/09/46/1001980946.db2.gz BOMVNFRLLRVJRP-GJZGRUSLSA-N 0 1 417.893 3.787 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000507406604 1002053573 /nfs/dbraw/zinc/05/35/73/1002053573.db2.gz UMQVGEBBGSGROY-UHFFFAOYSA-N 0 1 416.869 3.634 20 5 HHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498935671 1002333554 /nfs/dbraw/zinc/33/35/54/1002333554.db2.gz LRMFGYDMEYUOIO-IUODEOHRSA-N 0 1 409.450 3.581 20 5 HHBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000508083677 1002604970 /nfs/dbraw/zinc/60/49/70/1002604970.db2.gz LRLVYIIZGXSQTI-UHFFFAOYSA-N 0 1 404.822 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/nfs/dbraw/zinc/36/89/08/1010368908.db2.gz PSTXZTHQDGFRNY-UHFFFAOYSA-N 0 1 421.381 3.539 20 5 HHBDMN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000551114149 1010378679 /nfs/dbraw/zinc/37/86/79/1010378679.db2.gz NRNSUZCEHCKSNS-UHFFFAOYSA-N 0 1 411.155 3.575 20 5 HHBDMN COc1ccc([N+](=O)[O-])c(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000521614926 1010506418 /nfs/dbraw/zinc/50/64/18/1010506418.db2.gz HDWKPZLDFREKQT-UHFFFAOYSA-N 0 1 417.893 3.899 20 5 HHBDMN CN1CCN(c2ccccc2-c2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)CC1 ZINC000544957809 1010520067 /nfs/dbraw/zinc/52/00/67/1010520067.db2.gz IHVPBURDDNQVKU-UHFFFAOYSA-N 0 1 405.414 3.810 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000521678191 1010544040 /nfs/dbraw/zinc/54/40/40/1010544040.db2.gz UPYVKRKBJMJVEY-HNNXBMFYSA-N 0 1 415.471 3.999 20 5 HHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000551410894 1010569191 /nfs/dbraw/zinc/56/91/91/1010569191.db2.gz ILUGYHCWPXWCRD-OXQOHEQNSA-N 0 1 407.474 3.565 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc([C@@H]4C[C@H]4C)no3)cc2)cc1[N+](=O)[O-] ZINC000545067733 1010589889 /nfs/dbraw/zinc/58/98/89/1010589889.db2.gz POMDEXBMFQCRKH-MLGOLLRUSA-N 0 1 414.443 3.877 20 5 HHBDMN Cc1ccc(C=Cc2n[nH]c(S[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)n2)o1 ZINC000521837412 1010649438 /nfs/dbraw/zinc/64/94/38/1010649438.db2.gz IDXKYHCCPXIYTP-PTZVLDCSSA-N 0 1 411.443 3.682 20 5 HHBDMN COc1cc(CN2CCC(C3CCOCC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000548773029 1010727424 /nfs/dbraw/zinc/72/74/24/1010727424.db2.gz SMZVHVZKUFEVEG-UHFFFAOYSA-N 0 1 414.449 3.886 20 5 HHBDMN Cc1ccc(C(C)(C)NCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cn1 ZINC000545398423 1010772541 /nfs/dbraw/zinc/77/25/41/1010772541.db2.gz NSPCCEAZUKOUMV-UHFFFAOYSA-N 0 1 411.487 3.885 20 5 HHBDMN Cn1ccnc1C(=O)c1ccc(NC[C@H]2CCCN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000522284951 1010906466 /nfs/dbraw/zinc/90/64/66/1010906466.db2.gz IMGCTGHLNADWBR-LJQANCHMSA-N 0 1 419.485 3.636 20 5 HHBDMN Cc1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(O[C@H]2CCOC2)c1 ZINC000540624611 1011275177 /nfs/dbraw/zinc/27/51/77/1011275177.db2.gz JEAYKEKAUINUKB-NRFANRHFSA-N 0 1 422.485 3.761 20 5 HHBDMN Cc1c(Br)cc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000536349796 1011556789 /nfs/dbraw/zinc/55/67/89/1011556789.db2.gz QYDYCAJETQCGOD-WMZOPIPTSA-N 0 1 418.291 3.841 20 5 HHBDMN O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cc2ccccc2c2cccnc12 ZINC000536351087 1011557567 /nfs/dbraw/zinc/55/75/67/1011557567.db2.gz PEHSTKLBUBHJSZ-NHCUHLMSSA-N 0 1 411.505 3.753 20 5 HHBDMN CCOC(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000541072480 1011712620 /nfs/dbraw/zinc/71/26/20/1011712620.db2.gz DEJYKIHUHZPXNO-UHFFFAOYSA-N 0 1 418.349 3.591 20 5 HHBDMN CCN(CC)[C@H](CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C)c1ccccc1Cl ZINC000523223946 1011712807 /nfs/dbraw/zinc/71/28/07/1011712807.db2.gz CMZHHKLDIDLQPV-GOSISDBHSA-N 0 1 421.929 3.651 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])N(C)C)c1 ZINC000536754915 1011945720 /nfs/dbraw/zinc/94/57/20/1011945720.db2.gz DFURRRPNVMJXAM-HXUWFJFHSA-N 0 1 420.469 3.698 20 5 HHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000541266587 1011955697 /nfs/dbraw/zinc/95/56/97/1011955697.db2.gz IFDJCWLCQXDLHC-UHFFFAOYSA-N 0 1 410.257 3.960 20 5 HHBDMN Cc1ccc([C@@H](C)NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cc1[N+](=O)[O-] ZINC000551811811 1011969596 /nfs/dbraw/zinc/96/95/96/1011969596.db2.gz HCHQVFDINMQVTK-CMJOXMDJSA-N 0 1 422.485 3.979 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])[nH]c2c1 ZINC000523491624 1012009615 /nfs/dbraw/zinc/00/96/15/1012009615.db2.gz KMYDRHGQHSOCSC-MRXNPFEDSA-N 0 1 400.460 3.614 20 5 HHBDMN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000523528003 1012055225 /nfs/dbraw/zinc/05/52/25/1012055225.db2.gz CUPQGPVLGDVXNB-OAHLLOKOSA-N 0 1 410.268 3.763 20 5 HHBDMN C[C@H](N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000536873172 1012113840 /nfs/dbraw/zinc/11/38/40/1012113840.db2.gz ZYXZEQLYLULBEZ-YVEFUNNKSA-N 0 1 409.364 3.950 20 5 HHBDMN COc1ccc(Br)c(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000536899647 1012157416 /nfs/dbraw/zinc/15/74/16/1012157416.db2.gz FJEFOADLSAWKJB-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN([C@@H]4CCN(c5cccc([N+](=O)[O-])c5)C4=O)C3)[nH]c2c1 ZINC000537018310 1012323061 /nfs/dbraw/zinc/32/30/61/1012323061.db2.gz RRQSMGWWUOSHLJ-HRAATJIYSA-N 0 1 419.485 3.764 20 5 HHBDMN COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])c(C)c1Br)N(C)C ZINC000541578860 1012369169 /nfs/dbraw/zinc/36/91/69/1012369169.db2.gz WEAZAPSGNYYJKR-AWEZNQCLSA-N 0 1 409.284 3.784 20 5 HHBDMN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000537061180 1012396735 /nfs/dbraw/zinc/39/67/35/1012396735.db2.gz GQWUSNWFCCZDAC-SCLBCKFNSA-N 0 1 423.391 3.992 20 5 HHBDMN O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000552416320 1012431929 /nfs/dbraw/zinc/43/19/29/1012431929.db2.gz RLTHUYYWWDBIIL-HNNXBMFYSA-N 0 1 416.235 3.510 20 5 HHBDMN C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ncc(-c2ccccc2)o1 ZINC000541643277 1012463585 /nfs/dbraw/zinc/46/35/85/1012463585.db2.gz YKLSAOGFOSLKMY-AWEZNQCLSA-N 0 1 408.414 3.899 20 5 HHBDMN CCOc1cccc2cc([C@@H](C)NCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)oc21 ZINC000541657736 1012483490 /nfs/dbraw/zinc/48/34/90/1012483490.db2.gz NOFXBENRWUIVIY-CQSZACIVSA-N 0 1 409.442 3.980 20 5 HHBDMN COc1cc(CN(C)C[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000552488836 1012513858 /nfs/dbraw/zinc/51/38/58/1012513858.db2.gz MIWMTRHCKDRXDV-PXNSSMCTSA-N 0 1 400.475 3.775 20 5 HHBDMN C[C@H](c1ccccc1)[NH+]1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000523864331 1012560608 /nfs/dbraw/zinc/56/06/08/1012560608.db2.gz NAAPEGYKKURYPD-CQSZACIVSA-N 0 1 423.922 3.752 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000541771386 1012637503 /nfs/dbraw/zinc/63/75/03/1012637503.db2.gz MUTYRSUSDBCWCH-HNNXBMFYSA-N 0 1 423.469 3.718 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000541981841 1012855089 /nfs/dbraw/zinc/85/50/89/1012855089.db2.gz VNOIDGQUWWIPRF-ZDUSSCGKSA-N 0 1 412.368 3.674 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc(Oc3ccccn3)c2)cc1[N+](=O)[O-] ZINC000488243821 1072160677 /nfs/dbraw/zinc/16/06/77/1072160677.db2.gz AZKYSYUBWJUZDA-UHFFFAOYSA-N 0 1 419.390 3.731 20 5 HHBDMN CCN1CCN(c2ccc(-c3noc(-c4cc5cc([N+](=O)[O-])ccc5o4)n3)cn2)CC1 ZINC000571696837 1072699918 /nfs/dbraw/zinc/69/99/18/1072699918.db2.gz KARLYRTWZIVQAB-UHFFFAOYSA-N 0 1 420.429 3.595 20 5 HHBDMN CCC[C@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(OC)c3)c2C1 ZINC000479144524 1072765262 /nfs/dbraw/zinc/76/52/62/1072765262.db2.gz PHRJXSOTGIGZMY-AWEZNQCLSA-N 0 1 419.503 3.908 20 5 HHBDMN Cc1ccc(NC(=O)Cc2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)cc1 ZINC000904250774 1074185595 /nfs/dbraw/zinc/18/55/95/1074185595.db2.gz GFCPWRTYVPQGGF-UHFFFAOYSA-N 0 1 404.386 3.525 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])c2C)o1 ZINC000573172626 1074246863 /nfs/dbraw/zinc/24/68/63/1074246863.db2.gz SKXDVAMLNFYTQZ-UHFFFAOYSA-N 0 1 424.335 4.388 20 5 HHBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908306 721709859 /nfs/dbraw/zinc/70/98/59/721709859.db2.gz WYWGOOIGBJRCRG-FQEVSTJZSA-N 0 1 417.460 3.739 20 5 HHBDMN COc1ccnc(N2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)c1 ZINC000301216272 970813165 /nfs/dbraw/zinc/81/31/65/970813165.db2.gz YGQMQDQBCJJZMA-UHFFFAOYSA-N 0 1 418.453 3.556 20 5 HHBDMN Cc1cc(Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)ncc1[N+](=O)[O-] ZINC000301451845 970935649 /nfs/dbraw/zinc/93/56/49/970935649.db2.gz UPWNEGHDXAKABE-UHFFFAOYSA-N 0 1 404.474 3.759 20 5 HHBDMN C[C@@H]1CN(Cc2ccccc2)CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000301490998 970955273 /nfs/dbraw/zinc/95/52/73/970955273.db2.gz BGEUPXAREAMLPA-CQSZACIVSA-N 0 1 405.296 3.853 20 5 HHBDMN C[C@@H](c1ccncc1)N1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301811229 971072738 /nfs/dbraw/zinc/07/27/38/971072738.db2.gz XXUQCGPEDSHZLF-LBPRGKRZSA-N 0 1 406.284 3.785 20 5 HHBDMN Cc1cc([N+](=O)[O-])cnc1Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000301931966 971121586 /nfs/dbraw/zinc/12/15/86/971121586.db2.gz OKQILUAUWJVEAK-UHFFFAOYSA-N 0 1 404.474 3.759 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(c4sc(S(C)(=O)=O)cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000302122447 971180715 /nfs/dbraw/zinc/18/07/15/971180715.db2.gz GSTMJEVPEJIWMI-LBPRGKRZSA-N 0 1 420.516 3.629 20 5 HHBDMN Cc1ccc([C@@H](C)NC2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)cc1[N+](=O)[O-] ZINC000542137026 1013069649 /nfs/dbraw/zinc/06/96/49/1013069649.db2.gz ZOAQQPDXGFZHIO-OAHLLOKOSA-N 0 1 406.479 3.606 20 5 HHBDMN CN(C)Cc1cc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)ccc1F ZINC000303684002 971960347 /nfs/dbraw/zinc/96/03/47/971960347.db2.gz KZCHUOOWJBJJTK-UHFFFAOYSA-N 0 1 412.368 3.719 20 5 HHBDMN CCCc1[nH]nc(C(=O)N(CC)Cc2cc(Br)ccc2F)c1[N+](=O)[O-] ZINC000303743775 971996818 /nfs/dbraw/zinc/99/68/18/971996818.db2.gz JGNCFWDBCNHSBQ-UHFFFAOYSA-N 0 1 413.247 3.834 20 5 HHBDMN CN(CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000542194044 1013137375 /nfs/dbraw/zinc/13/73/75/1013137375.db2.gz RIHJWIQKIODVAS-UHFFFAOYSA-N 0 1 411.886 3.728 20 5 HHBDMN Cc1cccc(CN(Cc2ccccn2)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000542211146 1013157555 /nfs/dbraw/zinc/15/75/55/1013157555.db2.gz MJEGBIBYBKBBED-OAQYLSRUSA-N 0 1 407.470 3.740 20 5 HHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000524337134 1013159728 /nfs/dbraw/zinc/15/97/28/1013159728.db2.gz JXPBUDMZNXDKEY-UHFFFAOYSA-N 0 1 417.897 3.712 20 5 HHBDMN CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000537628937 1013181278 /nfs/dbraw/zinc/18/12/78/1013181278.db2.gz MKELXEMIZOVLJT-OAQYLSRUSA-N 0 1 419.485 3.623 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000537652673 1013214082 /nfs/dbraw/zinc/21/40/82/1013214082.db2.gz SSTVXMOUGPQMQB-SNVBAGLBSA-N 0 1 412.851 3.519 20 5 HHBDMN COc1cc(C=C(Cl)c2nc3cc(Cl)ccc3c(=O)[nH]2)cc([N+](=O)[O-])c1O ZINC000007489052 961213306 /nfs/dbraw/zinc/21/33/06/961213306.db2.gz HVAFSFDUXZAWTR-WCIBSUBMSA-N 0 1 408.197 3.936 20 5 HHBDMN COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000010448146 961824051 /nfs/dbraw/zinc/82/40/51/961824051.db2.gz QCFNUKFFBZEPCJ-KRWDZBQOSA-N 0 1 403.504 3.868 20 5 HHBDMN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000010893348 961939154 /nfs/dbraw/zinc/93/91/54/961939154.db2.gz WNGQWSANLDUMDV-UHFFFAOYSA-N 0 1 422.529 3.546 20 5 HHBDMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2)o1 ZINC000012838982 962336743 /nfs/dbraw/zinc/33/67/43/962336743.db2.gz CZWIUSOPFNAKEL-FNORWQNLSA-N 0 1 403.395 3.655 20 5 HHBDMN CCc1ccc([C@H](N[C@@H]2CCCN(c3cnn(C)c3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542475232 1013423669 /nfs/dbraw/zinc/42/36/69/1013423669.db2.gz SOLAOLQGEQJDCE-VGOFRKELSA-N 0 1 409.490 3.832 20 5 HHBDMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000025034117 964148001 /nfs/dbraw/zinc/14/80/01/964148001.db2.gz HSUXMVXUYWVHFD-FQEVSTJZSA-N 0 1 417.381 3.899 20 5 HHBDMN COc1cc(CN2CCN(Cc3ccccc3C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000027358939 964862801 /nfs/dbraw/zinc/86/28/01/964862801.db2.gz BTIUMTYILHBQTI-UHFFFAOYSA-N 0 1 421.444 3.831 20 5 HHBDMN Cc1c(CO)cc([N+](=O)[O-])c(NC2CCN(Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000052467225 964914832 /nfs/dbraw/zinc/91/48/32/964914832.db2.gz JJBNXKFGRPEPEL-UHFFFAOYSA-N 0 1 418.425 3.519 20 5 HHBDMN COc1ccc(Br)c(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000537967286 1013545020 /nfs/dbraw/zinc/54/50/20/1013545020.db2.gz BAUXXBDXALMFNG-GFCCVEGCSA-N 0 1 422.279 3.873 20 5 HHBDMN Cc1ccc(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)cc1[N+](=O)[O-] ZINC000028897917 965210301 /nfs/dbraw/zinc/21/03/01/965210301.db2.gz YOUZZENFRXFFQE-UHFFFAOYSA-N 0 1 402.208 3.703 20 5 HHBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553723755 1013572089 /nfs/dbraw/zinc/57/20/89/1013572089.db2.gz YFNBFBRCQQRHJB-PIGZYNQJSA-N 0 1 410.348 3.921 20 5 HHBDMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000553737190 1013580400 /nfs/dbraw/zinc/58/04/00/1013580400.db2.gz UPRIVAUYPLHFQI-UHFFFAOYSA-N 0 1 410.430 3.874 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000538009989 1013582437 /nfs/dbraw/zinc/58/24/37/1013582437.db2.gz QKSODZIHYNUXHD-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000054674646 965604812 /nfs/dbraw/zinc/60/48/12/965604812.db2.gz HUUPOICWZUGVNM-GOSISDBHSA-N 0 1 404.430 3.725 20 5 HHBDMN Cc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055601724 965958091 /nfs/dbraw/zinc/95/80/91/965958091.db2.gz YQGFXJFXPPJLAX-UHFFFAOYSA-N 0 1 411.439 3.956 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1C ZINC000055650823 965996399 /nfs/dbraw/zinc/99/63/99/965996399.db2.gz PERCAEAGUPGVDN-UHFFFAOYSA-N 0 1 417.487 3.639 20 5 HHBDMN C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000032354732 966229394 /nfs/dbraw/zinc/22/93/94/966229394.db2.gz FQFZDYMNXPOGGH-CYBMUJFWSA-N 0 1 413.865 3.644 20 5 HHBDMN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196453 966254823 /nfs/dbraw/zinc/25/48/23/966254823.db2.gz YRHXTHPXKWQAIB-HZPDHXFCSA-N 0 1 412.490 3.755 20 5 HHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000061205262 966397038 /nfs/dbraw/zinc/39/70/38/966397038.db2.gz HWSFMOPRZOJDFU-UHFFFAOYSA-N 0 1 418.881 3.651 20 5 HHBDMN C[C@H]1CCCN(c2ccc(C(=O)NC[C@@H](c3cccs3)N(C)C)cc2[N+](=O)[O-])C1 ZINC000035580016 966421327 /nfs/dbraw/zinc/42/13/27/966421327.db2.gz XMHLQZHBZQQXDZ-KXBFYZLASA-N 0 1 416.547 3.925 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)c1 ZINC000036701063 966442772 /nfs/dbraw/zinc/44/27/72/966442772.db2.gz RKQIVXYLSVIUHY-LJQANCHMSA-N 0 1 403.866 3.824 20 5 HHBDMN O=C(NCc1cccc(COCc2ccco2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000041420620 966560691 /nfs/dbraw/zinc/56/06/91/966560691.db2.gz LCUAEOGGWHENFN-UHFFFAOYSA-N 0 1 406.398 3.711 20 5 HHBDMN COCCSc1ccc([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000538204636 1013759177 /nfs/dbraw/zinc/75/91/77/1013759177.db2.gz IMMCMGUNJCJGLL-OAHLLOKOSA-N 0 1 415.515 3.573 20 5 HHBDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)ccc1C ZINC000542930133 1013765054 /nfs/dbraw/zinc/76/50/54/1013765054.db2.gz LEPANNIVGCAPAU-UHFFFAOYSA-N 0 1 418.349 3.509 20 5 HHBDMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(OCC3CC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000538225057 1013774567 /nfs/dbraw/zinc/77/45/67/1013774567.db2.gz RNKNMLNNNFBHFO-CYBMUJFWSA-N 0 1 417.437 3.821 20 5 HHBDMN COc1ccc2[nH]cc(C3CCN(CC(=O)N(C)c4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC000108971030 969442128 /nfs/dbraw/zinc/44/21/28/969442128.db2.gz UCUYQPLGAPDQAG-UHFFFAOYSA-N 0 1 422.485 3.927 20 5 HHBDMN CC(C)C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCOCC1 ZINC000236684750 970154942 /nfs/dbraw/zinc/15/49/42/970154942.db2.gz XQVIYIAQISVSGF-IBGZPJMESA-N 0 1 404.536 3.555 20 5 HHBDMN CC[C@H](C)NC(=O)[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236990469 970201877 /nfs/dbraw/zinc/20/18/77/970201877.db2.gz VJNSVZPYQHXCNM-IRXDYDNUSA-N 0 1 421.501 3.840 20 5 HHBDMN CCN([C@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000247984263 970495463 /nfs/dbraw/zinc/49/54/63/970495463.db2.gz IOHFFUPGCCZRBX-MJGOQNOKSA-N 0 1 417.531 3.749 20 5 HHBDMN COc1ccc2nc(SCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)[nH]c2c1 ZINC000261412369 970661594 /nfs/dbraw/zinc/66/15/94/970661594.db2.gz DKOVCVPBSQAXGH-UHFFFAOYSA-N 0 1 400.416 3.570 20 5 HHBDMN CCN1CCN(c2ccc(CNc3ccc(Br)cc3[N+](=O)[O-])cn2)CC1 ZINC000301111597 970754013 /nfs/dbraw/zinc/75/40/13/970754013.db2.gz RZAQDLMGHZPORC-UHFFFAOYSA-N 0 1 420.311 3.506 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C ZINC000320137457 972676328 /nfs/dbraw/zinc/67/63/28/972676328.db2.gz HIYGGXASPNURTB-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN O=[N+]([O-])c1ccn(C2CCN(CC3=Cc4cc(Br)ccc4OC3)CC2)n1 ZINC000425960923 974065625 /nfs/dbraw/zinc/06/56/25/974065625.db2.gz ZHSWZSVTRJJIFS-UHFFFAOYSA-N 0 1 419.279 3.667 20 5 HHBDMN CCCc1[nH]nc(C(=O)N(C)Cc2cc(Br)ccc2Cl)c1[N+](=O)[O-] ZINC000427804149 975298332 /nfs/dbraw/zinc/29/83/32/975298332.db2.gz ZFMHYNWHSUZQRT-UHFFFAOYSA-N 0 1 415.675 3.959 20 5 HHBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1nc2cc(Cl)ccc2n1C ZINC000427878140 975330854 /nfs/dbraw/zinc/33/08/54/975330854.db2.gz VCYKHNGVABKNHJ-LBPRGKRZSA-N 0 1 401.854 3.642 20 5 HHBDMN COc1ccc(CN2CCCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000429933706 977210299 /nfs/dbraw/zinc/21/02/99/977210299.db2.gz XGBWMTWPRIODIA-UHFFFAOYSA-N 0 1 411.502 3.616 20 5 HHBDMN COC(=O)[C@]1(c2ccccc2)CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000430108194 977322831 /nfs/dbraw/zinc/32/28/31/977322831.db2.gz VBKKCLBGRMJOJB-HXUWFJFHSA-N 0 1 406.385 3.513 20 5 HHBDMN CCN(CC)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000431033801 977967872 /nfs/dbraw/zinc/96/78/72/977967872.db2.gz KSUTWMBVKRZOSA-OAHLLOKOSA-N 0 1 410.268 3.763 20 5 HHBDMN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432461043 978824364 /nfs/dbraw/zinc/82/43/64/978824364.db2.gz HAAGAKORIFAAFT-KBPBESRZSA-N 0 1 411.458 3.979 20 5 HHBDMN CNS(=O)(=O)c1cccc([C@H](C)N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433166447 979111057 /nfs/dbraw/zinc/11/10/57/979111057.db2.gz XNOGTQKOFMCVJF-DJJJIMSYSA-N 0 1 403.504 3.576 20 5 HHBDMN C[C@@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000433165967 979111103 /nfs/dbraw/zinc/11/11/03/979111103.db2.gz WLWRVKCNAZTOIE-VLIAUNLRSA-N 0 1 417.531 3.918 20 5 HHBDMN C[C@@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000433166448 979111180 /nfs/dbraw/zinc/11/11/80/979111180.db2.gz FXRYSCFNFQGKBM-JLTOFOAXSA-N 0 1 417.531 3.918 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000433979246 979730875 /nfs/dbraw/zinc/73/08/75/979730875.db2.gz BRBVBFZGVQWODY-UHFFFAOYSA-N 0 1 404.854 3.830 20 5 HHBDMN CN1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000433990148 979738935 /nfs/dbraw/zinc/73/89/35/979738935.db2.gz LEVKHZDIASOVEM-UHFFFAOYSA-N 0 1 415.412 3.626 20 5 HHBDMN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000434446703 980186045 /nfs/dbraw/zinc/18/60/45/980186045.db2.gz QQOHNOCZIDCRIZ-HNNXBMFYSA-N 0 1 411.452 3.706 20 5 HHBDMN CCOc1cc(NC(=O)N2CCC(c3cnc[nH]3)CC2)c([N+](=O)[O-])cc1OCC ZINC000435073117 980616737 /nfs/dbraw/zinc/61/67/37/980616737.db2.gz KBDUMMZRHZCMKV-UHFFFAOYSA-N 0 1 403.439 3.527 20 5 HHBDMN C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000436328966 981302776 /nfs/dbraw/zinc/30/27/76/981302776.db2.gz AUZZHPYJCBCCGS-LSDHHAIUSA-N 0 1 417.487 3.656 20 5 HHBDMN CCC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)c1 ZINC000436648764 981491729 /nfs/dbraw/zinc/49/17/29/981491729.db2.gz UWISKDTYAUSCQU-UHFFFAOYSA-N 0 1 404.444 3.884 20 5 HHBDMN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000436944287 981637119 /nfs/dbraw/zinc/63/71/19/981637119.db2.gz BJPPPFJKOSFFDA-UHFFFAOYSA-N 0 1 417.465 3.848 20 5 HHBDMN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000436985892 981668289 /nfs/dbraw/zinc/66/82/89/981668289.db2.gz DIXPJPJTQZPNJG-VQIMIIECSA-N 0 1 405.401 3.532 20 5 HHBDMN CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000436985892 981668294 /nfs/dbraw/zinc/66/82/94/981668294.db2.gz DIXPJPJTQZPNJG-VQIMIIECSA-N 0 1 405.401 3.532 20 5 HHBDMN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000437002528 981679302 /nfs/dbraw/zinc/67/93/02/981679302.db2.gz YNZSANBTPOQVJF-SFHVURJKSA-N 0 1 421.457 3.505 20 5 HHBDMN O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000437294425 981947288 /nfs/dbraw/zinc/94/72/88/981947288.db2.gz MUCBSGDVCRYZOD-SWLSCSKDSA-N 0 1 401.220 3.520 20 5 HHBDMN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000460191746 981965753 /nfs/dbraw/zinc/96/57/53/981965753.db2.gz IVAIKFNVCGOYMQ-UHFFFAOYSA-N 0 1 424.480 3.725 20 5 HHBDMN Cc1c(CC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000438836817 983106017 /nfs/dbraw/zinc/10/60/17/983106017.db2.gz QFYGLOQMDJRGFG-GOSISDBHSA-N 0 1 421.419 3.855 20 5 HHBDMN CSc1ccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000439766263 983529949 /nfs/dbraw/zinc/52/99/49/983529949.db2.gz HJATWMZMYOGODP-CQSZACIVSA-N 0 1 400.504 3.667 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000439865262 983560895 /nfs/dbraw/zinc/56/08/95/983560895.db2.gz IUUAYXPXJDLXRH-UHFFFAOYSA-N 0 1 413.478 3.698 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccccc1-c1nncn1C(C)C ZINC000439890124 983572130 /nfs/dbraw/zinc/57/21/30/983572130.db2.gz ZRKGVRVGDWTYTO-UHFFFAOYSA-N 0 1 415.475 3.852 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439892177 983573063 /nfs/dbraw/zinc/57/30/63/983573063.db2.gz ROLVNIUVRUTHPP-HNNXBMFYSA-N 0 1 413.478 3.736 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccccc2-c2nncn2C(C)C)ccc1[N+](=O)[O-] ZINC000439911692 983580708 /nfs/dbraw/zinc/58/07/08/983580708.db2.gz JELBJMUOCYZELJ-UHFFFAOYSA-N 0 1 401.448 3.543 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441543362 984313222 /nfs/dbraw/zinc/31/32/22/984313222.db2.gz HOISHQFOIXMZFV-INIZCTEOSA-N 0 1 420.878 3.959 20 5 HHBDMN CCOc1ccccc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462189056 985171262 /nfs/dbraw/zinc/17/12/62/985171262.db2.gz OTGIPRDDLINTOD-UHFFFAOYSA-N 0 1 405.259 3.779 20 5 HHBDMN CCO[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000462321535 985310472 /nfs/dbraw/zinc/31/04/72/985310472.db2.gz NLKOJMILYMDKLR-OLZOCXBDSA-N 0 1 409.291 3.528 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)cc1C ZINC000462327498 985318009 /nfs/dbraw/zinc/31/80/09/985318009.db2.gz OSXOJOSHZMKNSK-DNVCBOLYSA-N 0 1 423.560 3.635 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)cc1C ZINC000462327503 985318539 /nfs/dbraw/zinc/31/85/39/985318539.db2.gz OSXOJOSHZMKNSK-KXBFYZLASA-N 0 1 423.560 3.635 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1nccc2ccccc21 ZINC000462434939 985403465 /nfs/dbraw/zinc/40/34/65/985403465.db2.gz GBDMGVKJFARVFS-UHFFFAOYSA-N 0 1 412.254 3.928 20 5 HHBDMN C[C@@H](Cc1cccc(O)c1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000443372527 985533302 /nfs/dbraw/zinc/53/33/02/985533302.db2.gz KJISTMKZCSGBGF-VIFPVBQESA-N 0 1 405.259 3.517 20 5 HHBDMN O=C1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1CCOc1ccccc1 ZINC000462717552 985663795 /nfs/dbraw/zinc/66/37/95/985663795.db2.gz IZRLCBOCJMXMRU-GOSISDBHSA-N 0 1 421.453 3.624 20 5 HHBDMN CNc1c(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000462775329 985711737 /nfs/dbraw/zinc/71/17/37/985711737.db2.gz GIHIMTFPZCSNNX-YJYMSZOUSA-N 0 1 420.872 3.852 20 5 HHBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000468220479 985915793 /nfs/dbraw/zinc/91/57/93/985915793.db2.gz XLBJZTIUALYQEW-UHFFFAOYSA-N 0 1 413.412 3.718 20 5 HHBDMN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444002871 986201502 /nfs/dbraw/zinc/20/15/02/986201502.db2.gz KUNVVMFSAASUFR-OKILXGFUSA-N 0 1 413.468 3.952 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N(CCCOc2ccccc2)C2CCOCC2)c1[N+](=O)[O-] ZINC000468609901 986323654 /nfs/dbraw/zinc/32/36/54/986323654.db2.gz HTGQNCMKQHSVDG-UHFFFAOYSA-N 0 1 416.478 3.532 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2cc(Br)ccc2OC)c1[N+](=O)[O-] ZINC000444132212 986324364 /nfs/dbraw/zinc/32/43/64/986324364.db2.gz PIHLUTANHRAJMG-CYBMUJFWSA-N 0 1 423.267 3.629 20 5 HHBDMN COC(=O)c1cccc2nc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[nH]c21 ZINC000444245248 986437657 /nfs/dbraw/zinc/43/76/57/986437657.db2.gz CSBGWXNFJUDMEQ-UHFFFAOYSA-N 0 1 412.405 3.597 20 5 HHBDMN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(CN2CCSCC2)cc1 ZINC000468757215 986471557 /nfs/dbraw/zinc/47/15/57/986471557.db2.gz AFFWVDYMPXCCFG-UHFFFAOYSA-N 0 1 408.483 3.944 20 5 HHBDMN CN(C)Cc1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1F ZINC000444298026 986484006 /nfs/dbraw/zinc/48/40/06/986484006.db2.gz LOYVCTSWKMIAOS-UHFFFAOYSA-N 0 1 403.457 3.812 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cnccc2Oc2ccccc2)ccc1[N+](=O)[O-] ZINC000469297439 987013579 /nfs/dbraw/zinc/01/35/79/987013579.db2.gz XBKSVSAXRKCEHT-UHFFFAOYSA-N 0 1 401.400 3.592 20 5 HHBDMN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000444923848 987071326 /nfs/dbraw/zinc/07/13/26/987071326.db2.gz PJOKJAQLGGKILN-UHFFFAOYSA-N 0 1 401.333 3.607 20 5 HHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(=Cc3ccc(F)c(F)c3)CC2)c1 ZINC000469446317 987133039 /nfs/dbraw/zinc/13/30/39/987133039.db2.gz NDPPTXOFTWEHQR-GOSISDBHSA-N 0 1 404.413 3.792 20 5 HHBDMN CN(C)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000469482236 987164408 /nfs/dbraw/zinc/16/44/08/987164408.db2.gz QSNYVXZGYBVVBN-SFHVURJKSA-N 0 1 409.408 3.965 20 5 HHBDMN CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000469555604 987227032 /nfs/dbraw/zinc/22/70/32/987227032.db2.gz BOXOWIPJPFVBKJ-GOSISDBHSA-N 0 1 405.520 3.567 20 5 HHBDMN CN(C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1cccc(C(F)(F)F)c1 ZINC000470605014 988624180 /nfs/dbraw/zinc/62/41/80/988624180.db2.gz GKZOJVFQIOGYLE-KRWDZBQOSA-N 0 1 413.371 3.714 20 5 HHBDMN Cc1ccc2nc(CNC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000465194128 989533816 /nfs/dbraw/zinc/53/38/16/989533816.db2.gz QDTRNYNXXHBPBU-UHFFFAOYSA-N 0 1 408.336 3.651 20 5 HHBDMN COc1ccc(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000471860784 990033064 /nfs/dbraw/zinc/03/30/64/990033064.db2.gz YKQCVKCSLVIYKR-CQSZACIVSA-N 0 1 409.364 3.517 20 5 HHBDMN CCc1ccc(-c2noc([C@@H](C)NS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])n2)cc1 ZINC000471868761 990040413 /nfs/dbraw/zinc/04/04/13/990040413.db2.gz HYPWXJYCTWICNX-CYBMUJFWSA-N 0 1 416.459 3.555 20 5 HHBDMN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000472042494 990212622 /nfs/dbraw/zinc/21/26/22/990212622.db2.gz KULFQIOXEYOHSQ-OAQYLSRUSA-N 0 1 414.506 3.659 20 5 HHBDMN Cc1sc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000467771189 993012274 /nfs/dbraw/zinc/01/22/74/993012274.db2.gz XYMJPHZOVGPOCY-UHFFFAOYSA-N 0 1 424.438 3.869 20 5 HHBDMN CCC[C@@H](NCc1cccc(S(=O)(=O)NC(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000481028260 993872607 /nfs/dbraw/zinc/87/26/07/993872607.db2.gz WXRCONPPOMOATK-HXUWFJFHSA-N 0 1 405.520 3.913 20 5 HHBDMN O=C(N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000473610440 994491629 /nfs/dbraw/zinc/49/16/29/994491629.db2.gz JWYFSLHMJVKHMU-ZUZCIYMTSA-N 0 1 419.210 3.659 20 5 HHBDMN Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1Br ZINC000473829552 994761070 /nfs/dbraw/zinc/76/10/70/994761070.db2.gz MHTZTAGDAJOMQC-UHFFFAOYSA-N 0 1 402.208 3.703 20 5 HHBDMN COC(=O)COc1ccc(CNCc2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000473988971 994976811 /nfs/dbraw/zinc/97/68/11/994976811.db2.gz XQZKJSKDVFWPEE-UHFFFAOYSA-N 0 1 423.263 3.507 20 5 HHBDMN Cc1[nH]nc(C(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000474655384 995601205 /nfs/dbraw/zinc/60/12/05/995601205.db2.gz ZSGHTNOFPFQXAZ-LBPRGKRZSA-N 0 1 400.382 3.575 20 5 HHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000474896647 995786399 /nfs/dbraw/zinc/78/63/99/995786399.db2.gz QMLZCQWKZIHNBB-MRXNPFEDSA-N 0 1 420.347 3.704 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1OC)N1CCCCC1 ZINC000475025351 995878985 /nfs/dbraw/zinc/87/89/85/995878985.db2.gz ZBLDCSXWXQLMHE-IBGZPJMESA-N 0 1 413.474 3.569 20 5 HHBDMN CCOc1cc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000475504872 996186963 /nfs/dbraw/zinc/18/69/63/996186963.db2.gz VAJUFYIGDOKRAY-UHFFFAOYSA-N 0 1 407.474 3.501 20 5 HHBDMN CCOc1cc(N2CCN(Cc3cccc(-n4cccn4)c3)CC2)ccc1[N+](=O)[O-] ZINC000475516692 996195493 /nfs/dbraw/zinc/19/54/93/996195493.db2.gz NAHJQLORQUZCHM-UHFFFAOYSA-N 0 1 407.474 3.501 20 5 HHBDMN CC[C@H]1CN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@]2(CCOC2)O1 ZINC000475617824 996251466 /nfs/dbraw/zinc/25/14/66/996251466.db2.gz MWVVJSVJURHNHQ-BTYIYWSLSA-N 0 1 402.447 3.633 20 5 HHBDMN CC[C@H]1CN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@@]2(CCOC2)O1 ZINC000475617830 996251790 /nfs/dbraw/zinc/25/17/90/996251790.db2.gz MWVVJSVJURHNHQ-YCRPNKLZSA-N 0 1 402.447 3.633 20 5 HHBDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2ccccc12 ZINC000475798464 996377715 /nfs/dbraw/zinc/37/77/15/996377715.db2.gz YHZNBIGHQJNFBB-UHFFFAOYSA-N 0 1 403.391 3.646 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)cc(NCC(F)(F)F)c1 ZINC000475815060 996388427 /nfs/dbraw/zinc/38/84/27/996388427.db2.gz RLQNLKKRFFCGGI-UHFFFAOYSA-N 0 1 407.345 3.817 20 5 HHBDMN CCOc1c(Cl)cccc1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000483815529 996406164 /nfs/dbraw/zinc/40/61/64/996406164.db2.gz HYFKXULEIWLPQP-UHFFFAOYSA-N 0 1 401.810 3.613 20 5 HHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000484791537 997141775 /nfs/dbraw/zinc/14/17/75/997141775.db2.gz WVXADCPJYHRONL-NXEZZACHSA-N 0 1 400.806 3.895 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1SC ZINC000484961122 997337804 /nfs/dbraw/zinc/33/78/04/997337804.db2.gz SCRFKBWATMNFIT-OAHLLOKOSA-N 0 1 421.544 3.954 20 5 HHBDMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000485112074 997493979 /nfs/dbraw/zinc/49/39/79/997493979.db2.gz CZNVAYZJRVOFDJ-UHFFFAOYSA-N 0 1 415.369 3.564 20 5 HHBDMN CC(=O)c1ccc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)cc1 ZINC000485396085 997823988 /nfs/dbraw/zinc/82/39/88/997823988.db2.gz SEUPCRAIKMEFSB-UHFFFAOYSA-N 0 1 413.249 3.669 20 5 HHBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477311490 997999750 /nfs/dbraw/zinc/99/97/50/997999750.db2.gz UQKOBXDIAUYEIX-ZNMIVQPWSA-N 0 1 414.510 3.810 20 5 HHBDMN CN(C)Cc1ccc(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1F ZINC000477412839 998098076 /nfs/dbraw/zinc/09/80/76/998098076.db2.gz PCHSODWBYSNERR-UHFFFAOYSA-N 0 1 417.484 3.672 20 5 HHBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])[nH]1 ZINC000485704360 998168308 /nfs/dbraw/zinc/16/83/08/998168308.db2.gz XAYKXKYFYNPEEK-UHFFFAOYSA-N 0 1 406.464 3.811 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000485762037 998235550 /nfs/dbraw/zinc/23/55/50/998235550.db2.gz GOKOKLHLBNIPME-UHFFFAOYSA-N 0 1 400.504 3.711 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc2ncsc2c1 ZINC000485815564 998283363 /nfs/dbraw/zinc/28/33/63/998283363.db2.gz CQWBBFCDFHMDPG-NWDGAFQWSA-N 0 1 400.460 3.891 20 5 HHBDMN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000477997372 998705731 /nfs/dbraw/zinc/70/57/31/998705731.db2.gz WTGRQWSJPHHJAY-LDYMZIIASA-N 0 1 407.249 3.581 20 5 HHBDMN COC(=O)c1cc(F)cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c1F ZINC000478101257 998760668 /nfs/dbraw/zinc/76/06/68/998760668.db2.gz LFUQDLPOSDVVCO-UHFFFAOYSA-N 0 1 404.247 3.931 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])N2CCCC2)c1 ZINC000486650167 998875763 /nfs/dbraw/zinc/87/57/63/998875763.db2.gz JYOHNISFMGLECZ-GOSISDBHSA-N 0 1 415.515 3.892 20 5 HHBDMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000486805466 998947964 /nfs/dbraw/zinc/94/79/64/998947964.db2.gz VNAQUIASWJHZKT-QGZVFWFLSA-N 0 1 413.384 3.564 20 5 HHBDMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000486805466 998947969 /nfs/dbraw/zinc/94/79/69/998947969.db2.gz VNAQUIASWJHZKT-QGZVFWFLSA-N 0 1 413.384 3.564 20 5 HHBDMN COc1cc(CN2CC[C@H](Nc3ccc4ncccc4c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000487203900 999096217 /nfs/dbraw/zinc/09/62/17/999096217.db2.gz DLUICBGKIWMIEK-INIZCTEOSA-N 0 1 408.458 3.847 20 5 HHBDMN CCc1nc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n[nH]1 ZINC000479160856 999302883 /nfs/dbraw/zinc/30/28/83/999302883.db2.gz ISCQCSQHQICEJS-UHFFFAOYSA-N 0 1 400.826 3.793 20 5 HHBDMN CCc1n[nH]c(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 ZINC000479160856 999302889 /nfs/dbraw/zinc/30/28/89/999302889.db2.gz ISCQCSQHQICEJS-UHFFFAOYSA-N 0 1 400.826 3.793 20 5 HHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n[nH]1 ZINC000489227799 999726309 /nfs/dbraw/zinc/72/63/09/999726309.db2.gz JQGJPSDRUBQHQE-GJZGRUSLSA-N 0 1 403.486 3.664 20 5 HHBDMN CC[C@H](C)CN(CC)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000480206335 999745253 /nfs/dbraw/zinc/74/52/53/999745253.db2.gz ZTRRLNJOUCBUGJ-HNNXBMFYSA-N 0 1 419.503 3.904 20 5 HHBDMN COc1cc(Cl)c(Cl)cc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000480214313 999747157 /nfs/dbraw/zinc/74/71/57/999747157.db2.gz NTGCWMCGHTWXBP-UHFFFAOYSA-N 0 1 405.259 3.895 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)c1 ZINC000489892896 999856799 /nfs/dbraw/zinc/85/67/99/999856799.db2.gz SMHQMDBBVIHSBD-FOIQADDNSA-N 0 1 400.479 3.575 20 5 HHBDMN Cc1c(NC(=O)CCN2CCC[C@@H]2c2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000490086354 999890799 /nfs/dbraw/zinc/89/07/99/999890799.db2.gz IBQMFKFTIIZYPL-HXUWFJFHSA-N 0 1 407.474 3.956 20 5 HHBDMN COc1cccc(C(=O)NCCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000490129847 999897373 /nfs/dbraw/zinc/89/73/73/999897373.db2.gz HRFLWFGLUBRHJC-JOCHJYFZSA-N 0 1 405.454 3.712 20 5 HHBDMN O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490360591 999944439 /nfs/dbraw/zinc/94/44/39/999944439.db2.gz DEOIXLWFFOQWOT-UHFFFAOYSA-N 0 1 419.441 3.860 20 5 HHBDMN O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000490875079 1000018632 /nfs/dbraw/zinc/01/86/32/1000018632.db2.gz SZJQTVVMRJHXET-UHFFFAOYSA-N 0 1 412.409 3.740 20 5 HHBDMN CSc1cc2c(cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)OCCO2 ZINC000491761039 1000094328 /nfs/dbraw/zinc/09/43/28/1000094328.db2.gz IPRKYCDDDXGKBB-UHFFFAOYSA-N 0 1 410.473 3.506 20 5 HHBDMN COC(=O)c1cc(C(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)cc([N+](=O)[O-])c1 ZINC000492711474 1000140651 /nfs/dbraw/zinc/14/06/51/1000140651.db2.gz QVSSIDDMUAVFOK-UHFFFAOYSA-N 0 1 409.402 3.542 20 5 HHBDMN CCOc1cc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492791016 1000144456 /nfs/dbraw/zinc/14/44/56/1000144456.db2.gz QSGYJWMGRXUMLQ-UHFFFAOYSA-N 0 1 415.465 3.661 20 5 HHBDMN COc1ccc(C(=O)NCCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000493156179 1000160523 /nfs/dbraw/zinc/16/05/23/1000160523.db2.gz WZYPZEURDURWMV-JOCHJYFZSA-N 0 1 405.454 3.712 20 5 HHBDMN Cc1c(NC(=O)[C@H](C)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000493924064 1000216922 /nfs/dbraw/zinc/21/69/22/1000216922.db2.gz GLXWVKRJSCQJPS-OEPMTFCVSA-N 0 1 405.401 3.628 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000504906384 1000440264 /nfs/dbraw/zinc/44/02/64/1000440264.db2.gz XGYPVMUXJCOFSX-XLIONFOSSA-N 0 1 411.502 3.878 20 5 HHBDMN CN(CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)Cc1ccc(F)cc1 ZINC000494441816 1000494302 /nfs/dbraw/zinc/49/43/02/1000494302.db2.gz ABTNHQJOBQZURF-UHFFFAOYSA-N 0 1 400.454 3.540 20 5 HHBDMN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000494505873 1000530573 /nfs/dbraw/zinc/53/05/73/1000530573.db2.gz ILSFGXDVDDMFIO-NSHDSACASA-N 0 1 409.368 3.629 20 5 HHBDMN CC1CCN(c2ccc(C(=O)Nc3ccn(-c4ccncc4)n3)cc2[N+](=O)[O-])CC1 ZINC000505125977 1000563484 /nfs/dbraw/zinc/56/34/84/1000563484.db2.gz WFCFUYUNQJBQIJ-UHFFFAOYSA-N 0 1 406.446 3.664 20 5 HHBDMN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000506063232 1001199978 /nfs/dbraw/zinc/19/99/78/1001199978.db2.gz DBOGVHVYSDORLH-CQSZACIVSA-N 0 1 415.471 3.695 20 5 HHBDMN CN1C[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](c2ccccc2)C1 ZINC000497416860 1001351216 /nfs/dbraw/zinc/35/12/16/1001351216.db2.gz LJUXYCVXBGHNTR-QZTJIDSGSA-N 0 1 408.483 3.546 20 5 HHBDMN CCN([C@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000497985721 1001591695 /nfs/dbraw/zinc/59/16/95/1001591695.db2.gz WPKLWDQZSZWOFP-HKUYNNGSSA-N 0 1 417.531 3.749 20 5 HHBDMN CCc1cc(N2CCN(Cc3cccs3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507122794 1001821684 /nfs/dbraw/zinc/82/16/84/1001821684.db2.gz VMAYOGURGPUUQK-UHFFFAOYSA-N 0 1 409.515 3.998 20 5 HHBDMN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507334459 1002006682 /nfs/dbraw/zinc/00/66/82/1002006682.db2.gz HKBQNJVBQVLVOB-QLJPJBMISA-N 0 1 409.236 3.569 20 5 HHBDMN Cc1csc(Sc2ccc(C(=O)N3CCN(C)CC[C@H]3C)cc2[N+](=O)[O-])n1 ZINC000498713024 1002096092 /nfs/dbraw/zinc/09/60/92/1002096092.db2.gz ZNXWUURJBJQNJY-CYBMUJFWSA-N 0 1 406.533 3.677 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000498734660 1002117634 /nfs/dbraw/zinc/11/76/34/1002117634.db2.gz SOGBBHZYXQVMHR-GOSISDBHSA-N 0 1 414.462 3.890 20 5 HHBDMN C[C@H](Nc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000508020701 1002544406 /nfs/dbraw/zinc/54/44/06/1002544406.db2.gz AOMDVZDRDALGMC-LBPRGKRZSA-N 0 1 403.402 3.687 20 5 HHBDMN COc1ccc([C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)N2CCCC2)cc1 ZINC000508777816 1003207662 /nfs/dbraw/zinc/20/76/62/1003207662.db2.gz HVDDVFGWVMUYHH-IBGZPJMESA-N 0 1 409.442 3.917 20 5 HHBDMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000512295003 1004199069 /nfs/dbraw/zinc/19/90/69/1004199069.db2.gz MFMATOCGPUMYNO-ZDUSSCGKSA-N 0 1 420.510 3.737 20 5 HHBDMN C[C@@H](O)C[C@H]1CCCCCN1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000512443644 1004305807 /nfs/dbraw/zinc/30/58/07/1004305807.db2.gz FOBJPMIASWRBOJ-GDBMZVCRSA-N 0 1 418.519 3.672 20 5 HHBDMN O=C(Nc1c[nH]nc1[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000501766143 1004702319 /nfs/dbraw/zinc/70/23/19/1004702319.db2.gz XOLXUZBXSNDCSI-SFHVURJKSA-N 0 1 405.458 3.950 20 5 HHBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000501771993 1004711179 /nfs/dbraw/zinc/71/11/79/1004711179.db2.gz HVZQCUBNRDLLNJ-DLBZAZTESA-N 0 1 407.474 3.740 20 5 HHBDMN C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(C(F)(F)F)c1 ZINC000510568784 1004713002 /nfs/dbraw/zinc/71/30/02/1004713002.db2.gz HOACHEJQZYYVHL-SNVBAGLBSA-N 0 1 411.336 3.632 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCO[C@]4(CCc5ccccc54)C3)o2)c1 ZINC000510676348 1004793131 /nfs/dbraw/zinc/79/31/31/1004793131.db2.gz UNCYUDJCNAXHMO-HSZRJFAPSA-N 0 1 405.454 3.966 20 5 HHBDMN O=C([C@@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCc2c1cccc2[N+](=O)[O-] ZINC000513411964 1004952344 /nfs/dbraw/zinc/95/23/44/1004952344.db2.gz RTBXWJFMRQGOBG-KRWDZBQOSA-N 0 1 401.413 3.641 20 5 HHBDMN O=C(NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000511186603 1005065377 /nfs/dbraw/zinc/06/53/77/1005065377.db2.gz RDYPUBVXYVUTSW-UHFFFAOYSA-N 0 1 406.229 3.659 20 5 HHBDMN CN(c1ccccc1)c1ccc(CN2CCCN(c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000513702010 1005088443 /nfs/dbraw/zinc/08/84/43/1005088443.db2.gz CMGGIKYVOPIYNK-UHFFFAOYSA-N 0 1 418.501 3.865 20 5 HHBDMN Cn1cc(CN2CCC(C(=O)OC(C)(C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000513756179 1005111562 /nfs/dbraw/zinc/11/15/62/1005111562.db2.gz WVHIANHLBHGTGJ-UHFFFAOYSA-N 0 1 400.479 3.549 20 5 HHBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cc(S(C)(=O)=O)ccc1F ZINC000502597526 1005133876 /nfs/dbraw/zinc/13/38/76/1005133876.db2.gz VNXWADWGRNHSBY-CQSZACIVSA-N 0 1 412.508 3.798 20 5 HHBDMN COc1cc(C(=O)Nc2nnc(C)[nH]2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000502663282 1005168162 /nfs/dbraw/zinc/16/81/62/1005168162.db2.gz DGEBWMSXGUJLRR-UHFFFAOYSA-N 0 1 403.782 3.728 20 5 HHBDMN COc1cc(C(=O)Nc2nc(C)n[nH]2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000502663282 1005168164 /nfs/dbraw/zinc/16/81/64/1005168164.db2.gz DGEBWMSXGUJLRR-UHFFFAOYSA-N 0 1 403.782 3.728 20 5 HHBDMN CC[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000514093223 1005261989 /nfs/dbraw/zinc/26/19/89/1005261989.db2.gz IGNJQOSZXKFHRB-GMAHTHKFSA-N 0 1 419.529 3.844 20 5 HHBDMN COc1ccc(CCCN(C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000511725834 1005294117 /nfs/dbraw/zinc/29/41/17/1005294117.db2.gz WZBBVSISMZWSOF-HNNXBMFYSA-N 0 1 401.463 3.504 20 5 HHBDMN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(OC[C@H]2CCCO2)c1 ZINC000511735127 1005298488 /nfs/dbraw/zinc/29/84/88/1005298488.db2.gz PIUDKXKHJFGNMA-MRXNPFEDSA-N 0 1 406.460 3.570 20 5 HHBDMN Cc1cnn(-c2cc[nH+]cc2[N-]C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000503509220 1005440350 /nfs/dbraw/zinc/44/03/50/1005440350.db2.gz FJDQRUHFLQDNAA-UHFFFAOYSA-N 0 1 421.335 3.677 20 5 HHBDMN CN1CC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)[C@H]1c1ccccc1 ZINC000534019288 1005990333 /nfs/dbraw/zinc/99/03/33/1005990333.db2.gz OTBUIJORZNSPBI-SQJMNOBHSA-N 0 1 411.505 3.716 20 5 HHBDMN CN(C)[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000531306500 1006107000 /nfs/dbraw/zinc/10/70/00/1006107000.db2.gz OHHDFCOFAFEBMC-LJQANCHMSA-N 0 1 400.866 3.622 20 5 HHBDMN Nc1c(C(=O)Nc2cc(Cl)cc(Br)c2O)cc(F)cc1[N+](=O)[O-] ZINC000531372248 1006157005 /nfs/dbraw/zinc/15/70/05/1006157005.db2.gz KJSYYFGOBOVYNH-UHFFFAOYSA-N 0 1 404.579 3.690 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN(CC(=O)N(C)c4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000534215810 1006210821 /nfs/dbraw/zinc/21/08/21/1006210821.db2.gz RUKYAXLAKPLORA-MRXNPFEDSA-N 0 1 407.474 3.622 20 5 HHBDMN CCc1nc([C@@H](C)NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000534234900 1006237003 /nfs/dbraw/zinc/23/70/03/1006237003.db2.gz HTZYURYEIOTQLF-OAHLLOKOSA-N 0 1 417.473 3.979 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000534498566 1006497346 /nfs/dbraw/zinc/49/73/46/1006497346.db2.gz FWEIKWBLEOIHMM-UHFFFAOYSA-N 0 1 410.455 3.619 20 5 HHBDMN O=C(CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000538391524 1006661546 /nfs/dbraw/zinc/66/15/46/1006661546.db2.gz HDVJJRAQZDIIHB-HXUWFJFHSA-N 0 1 417.849 3.699 20 5 HHBDMN COC(=O)c1cc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000515934488 1006775864 /nfs/dbraw/zinc/77/58/64/1006775864.db2.gz WNGHSAFRFYCBGD-UHFFFAOYSA-N 0 1 406.354 3.770 20 5 HHBDMN O=C([C@@H]1CCCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N1CCOCC1 ZINC000538739428 1007022756 /nfs/dbraw/zinc/02/27/56/1007022756.db2.gz GMSZUBFTHKZXCZ-IBGZPJMESA-N 0 1 415.515 3.537 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c(Br)c1 ZINC000532611859 1007039854 /nfs/dbraw/zinc/03/98/54/1007039854.db2.gz YGGXBEOESRRKPS-UHFFFAOYSA-N 0 1 423.191 3.760 20 5 HHBDMN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000539075433 1007365909 /nfs/dbraw/zinc/36/59/09/1007365909.db2.gz GLAMEVGPRUFZJP-INIZCTEOSA-N 0 1 405.520 3.785 20 5 HHBDMN O=C(CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000533081156 1007443375 /nfs/dbraw/zinc/44/33/75/1007443375.db2.gz NPLFBDNLWJOCAV-UHFFFAOYSA-N 0 1 422.485 3.715 20 5 HHBDMN CC[C@@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000539251227 1007543440 /nfs/dbraw/zinc/54/34/40/1007543440.db2.gz LNNUCGMUJTZANQ-CQSZACIVSA-N 0 1 409.389 3.884 20 5 HHBDMN CC[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000539276937 1007571275 /nfs/dbraw/zinc/57/12/75/1007571275.db2.gz PNHYHYOFBCSCSY-CQSZACIVSA-N 0 1 405.838 3.699 20 5 HHBDMN CN1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535670124 1007688321 /nfs/dbraw/zinc/68/83/21/1007688321.db2.gz AGLNGQVULOVQLD-YWZLYKJASA-N 0 1 405.857 3.739 20 5 HHBDMN CN1CC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535670123 1007688344 /nfs/dbraw/zinc/68/83/44/1007688344.db2.gz AGLNGQVULOVQLD-QRWLVFNGSA-N 0 1 405.857 3.739 20 5 HHBDMN CCOc1cc(NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c([N+](=O)[O-])cc1OCC ZINC000535682482 1007712658 /nfs/dbraw/zinc/71/26/58/1007712658.db2.gz YEGUSHVZQFLTCJ-LLVKDONJSA-N 0 1 406.443 3.516 20 5 HHBDMN O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(CCN1CCCC1)c1ccccc1 ZINC000535729787 1007761008 /nfs/dbraw/zinc/76/10/08/1007761008.db2.gz OSNUBGHRZBPDQF-UHFFFAOYSA-N 0 1 405.458 3.523 20 5 HHBDMN O=[N+]([O-])c1ccc(N2CCN(CCCOCC(F)(F)F)CC2)cc1C(F)(F)F ZINC000533787451 1008110592 /nfs/dbraw/zinc/11/05/92/1008110592.db2.gz GNFGHAGZIWRFLQ-UHFFFAOYSA-N 0 1 415.334 3.705 20 5 HHBDMN CC(C)c1[nH+]ccn1Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000518198106 1008203023 /nfs/dbraw/zinc/20/30/23/1008203023.db2.gz LHCQXTICRWVWNR-UHFFFAOYSA-N 0 1 406.489 3.825 20 5 HHBDMN CC[NH+](CC)Cc1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000518657378 1008381981 /nfs/dbraw/zinc/38/19/81/1008381981.db2.gz MATJWOQGKNLEHW-UHFFFAOYSA-N 0 1 411.911 3.569 20 5 HHBDMN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000518659745 1008382776 /nfs/dbraw/zinc/38/27/76/1008382776.db2.gz MJDXEIJIWYQGJK-VIFPVBQESA-N 0 1 406.794 3.889 20 5 HHBDMN COc1ccccc1[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000518666871 1008385187 /nfs/dbraw/zinc/38/51/87/1008385187.db2.gz LYVLCLCIMPJVFQ-HXUWFJFHSA-N 0 1 402.410 3.999 20 5 HHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(-c3cccnc3)cc2)c([N+](=O)[O-])c1 ZINC000540433485 1008431873 /nfs/dbraw/zinc/43/18/73/1008431873.db2.gz RZKHJTVFZBKDMV-HNNXBMFYSA-N 0 1 406.442 3.955 20 5 HHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518891898 1008461576 /nfs/dbraw/zinc/46/15/76/1008461576.db2.gz PTIBHVGFPJJWKI-UHFFFAOYSA-N 0 1 424.482 3.650 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(-c3nc(-c4ccc(N)c([N+](=O)[O-])c4)no3)cc2)C[C@@H](C)O1 ZINC000545552124 1008650384 /nfs/dbraw/zinc/65/03/84/1008650384.db2.gz CVSBCAYTKQMRAX-ZIAGYGMSSA-N 0 1 409.446 3.503 20 5 HHBDMN COc1cccc(CN(C)CCn2ccc([N+](=O)[O-])n2)c1OCc1ccccc1F ZINC000549171052 1008744093 /nfs/dbraw/zinc/74/40/93/1008744093.db2.gz MOLWRJFAMHXFNQ-UHFFFAOYSA-N 0 1 414.437 3.650 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000519500575 1008872411 /nfs/dbraw/zinc/87/24/11/1008872411.db2.gz LEEKKOXWERVZFN-UHFFFAOYSA-N 0 1 420.510 3.539 20 5 HHBDMN COC(=O)C[C@@H](N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000543461313 1009047605 /nfs/dbraw/zinc/04/76/05/1009047605.db2.gz YPRDQWGIRRKANA-CXAGYDPISA-N 0 1 402.451 3.807 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1cccc(COc2ccccc2)c1 ZINC000519891585 1009057902 /nfs/dbraw/zinc/05/79/02/1009057902.db2.gz IIFXFSUAMOEPJM-UHFFFAOYSA-N 0 1 416.430 3.791 20 5 HHBDMN COc1cccc([C@H]2[C@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)CCN2C2CC2)c1 ZINC000549476702 1009073876 /nfs/dbraw/zinc/07/38/76/1009073876.db2.gz OPMSBDGQDYVPMW-GCJKJVERSA-N 0 1 408.458 3.812 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC000519994677 1009145620 /nfs/dbraw/zinc/14/56/20/1009145620.db2.gz LJJQAISSFABOHH-UHFFFAOYSA-N 0 1 414.439 3.983 20 5 HHBDMN C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000520002431 1009155326 /nfs/dbraw/zinc/15/53/26/1009155326.db2.gz BHOAXIPQQHNIOQ-CABCVRRESA-N 0 1 417.893 3.579 20 5 HHBDMN CC(C)Cc1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000546252132 1009277159 /nfs/dbraw/zinc/27/71/59/1009277159.db2.gz JGKUYZRHDKFKIJ-UHFFFAOYSA-N 0 1 402.432 3.644 20 5 HHBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000520155244 1009304828 /nfs/dbraw/zinc/30/48/28/1009304828.db2.gz YOLQXTIKIZAOKT-JTQLQIEISA-N 0 1 422.356 3.715 20 5 HHBDMN COc1cc(CN2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000543748580 1009328247 /nfs/dbraw/zinc/32/82/47/1009328247.db2.gz YKLACSBNVGQKGB-WMZOPIPTSA-N 0 1 400.475 3.775 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)cc1[N+](=O)[O-] ZINC000549723482 1009350157 /nfs/dbraw/zinc/35/01/57/1009350157.db2.gz VPOWKDSNVLYJNE-UHFFFAOYSA-N 0 1 410.358 3.692 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000520285486 1009404828 /nfs/dbraw/zinc/40/48/28/1009404828.db2.gz IJNZJZKHTHLAJZ-UHFFFAOYSA-N 0 1 403.382 3.789 20 5 HHBDMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543860292 1009427580 /nfs/dbraw/zinc/42/75/80/1009427580.db2.gz SSKFRFILEYYRDL-CYBMUJFWSA-N 0 1 407.820 3.871 20 5 HHBDMN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000520621167 1009699003 /nfs/dbraw/zinc/69/90/03/1009699003.db2.gz VERSDFXUUOZURO-CYBMUJFWSA-N 0 1 405.476 3.541 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000544369148 1009997900 /nfs/dbraw/zinc/99/79/00/1009997900.db2.gz HAKZMWYRISZZGF-GFCCVEGCSA-N 0 1 422.279 3.873 20 5 HHBDMN COc1ccc2oc([C@@H](C)NCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c(C)c2c1 ZINC000544475692 1010098194 /nfs/dbraw/zinc/09/81/94/1010098194.db2.gz ZFXHKTOCVOEORA-CYBMUJFWSA-N 0 1 413.430 3.956 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCCC1 ZINC000544534067 1010164542 /nfs/dbraw/zinc/16/45/42/1010164542.db2.gz ULMSKPBLKKBJSX-YWZLYKJASA-N 0 1 415.465 3.799 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000521157791 1010187627 /nfs/dbraw/zinc/18/76/27/1010187627.db2.gz CSKXKECKDDFMBW-UHFFFAOYSA-N 0 1 416.430 3.791 20 5 HHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCCC1(O)CCC1)c1ccccc1 ZINC000551000979 1010309381 /nfs/dbraw/zinc/30/93/81/1010309381.db2.gz BFWYRGIHMNKLMC-GOSISDBHSA-N 0 1 403.866 3.823 20 5 HHBDMN CCN([C@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000544745882 1010349949 /nfs/dbraw/zinc/34/99/49/1010349949.db2.gz IUVDRIUBMUYFCD-PXNSSMCTSA-N 0 1 417.531 3.582 20 5 HHBDMN CCN(CC)[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000521501075 1010415682 /nfs/dbraw/zinc/41/56/82/1010415682.db2.gz XGNXUAYIKHDBHF-CZUORRHYSA-N 0 1 409.870 3.808 20 5 HHBDMN CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544847915 1010433084 /nfs/dbraw/zinc/43/30/84/1010433084.db2.gz QAYGRLYWUHNXGV-KRWDZBQOSA-N 0 1 419.428 3.933 20 5 HHBDMN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000548420517 1010621050 /nfs/dbraw/zinc/62/10/50/1010621050.db2.gz HBFDPIHPSKACBE-SFHVURJKSA-N 0 1 420.473 3.512 20 5 HHBDMN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000548420516 1010621184 /nfs/dbraw/zinc/62/11/84/1010621184.db2.gz HBFDPIHPSKACBE-GOSISDBHSA-N 0 1 420.473 3.512 20 5 HHBDMN COc1c(Br)cc(Cl)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000548445286 1010629939 /nfs/dbraw/zinc/62/99/39/1010629939.db2.gz POBCXHDXMFKKCQ-UHFFFAOYSA-N 0 1 401.600 3.977 20 5 HHBDMN Cc1[nH]ncc1C1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000551575934 1010671601 /nfs/dbraw/zinc/67/16/01/1010671601.db2.gz QNINYWGNIDAYAS-UHFFFAOYSA-N 0 1 419.290 3.501 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)c1[N+](=O)[O-] ZINC000548586521 1010673333 /nfs/dbraw/zinc/67/33/33/1010673333.db2.gz UDSRKVIPIMGDML-UHFFFAOYSA-N 0 1 403.489 3.572 20 5 HHBDMN CN(c1ccccc1)c1ccc(CN[C@@H]2CCN(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000522107393 1010815812 /nfs/dbraw/zinc/81/58/12/1010815812.db2.gz QHAXFGDZFKTHDP-MRXNPFEDSA-N 0 1 422.407 3.616 20 5 HHBDMN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000540844550 1011507549 /nfs/dbraw/zinc/50/75/49/1011507549.db2.gz GKTRVRAQTNDCLE-INIZCTEOSA-N 0 1 412.494 3.579 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1[N+](=O)[O-] ZINC000540851720 1011518374 /nfs/dbraw/zinc/51/83/74/1011518374.db2.gz ZHJIPWUFHFZDOP-CQSZACIVSA-N 0 1 415.498 3.627 20 5 HHBDMN O=[N+]([O-])c1c(N2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)nc2sccn21 ZINC000540862008 1011531575 /nfs/dbraw/zinc/53/15/75/1011531575.db2.gz FEJDIKNQJURKRG-CYBMUJFWSA-N 0 1 401.496 3.854 20 5 HHBDMN O=[N+]([O-])c1c(N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)nc2sccn21 ZINC000540862008 1011531587 /nfs/dbraw/zinc/53/15/87/1011531587.db2.gz FEJDIKNQJURKRG-CYBMUJFWSA-N 0 1 401.496 3.854 20 5 HHBDMN O=C(CN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000540863836 1011537085 /nfs/dbraw/zinc/53/70/85/1011537085.db2.gz RMDVUBPNKTYJFG-INIZCTEOSA-N 0 1 412.494 3.579 20 5 HHBDMN O=C(CN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000540863836 1011537106 /nfs/dbraw/zinc/53/71/06/1011537106.db2.gz RMDVUBPNKTYJFG-INIZCTEOSA-N 0 1 412.494 3.579 20 5 HHBDMN Cc1c([C@H](C)NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cccc1[N+](=O)[O-] ZINC000551817997 1011974945 /nfs/dbraw/zinc/97/49/45/1011974945.db2.gz OJWOYIOEZFHVIA-WNSKOXEYSA-N 0 1 422.485 3.979 20 5 HHBDMN Cc1c([C@@H](C)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cccc1[N+](=O)[O-] ZINC000551817995 1011975733 /nfs/dbraw/zinc/97/57/33/1011975733.db2.gz OJWOYIOEZFHVIA-IQMFZBJNSA-N 0 1 422.485 3.979 20 5 HHBDMN C[C@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000536805751 1012027099 /nfs/dbraw/zinc/02/70/99/1012027099.db2.gz JTTVLUYORRPCJL-INIZCTEOSA-N 0 1 403.504 3.620 20 5 HHBDMN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000523522888 1012048714 /nfs/dbraw/zinc/04/87/14/1012048714.db2.gz HTWYCTRYCSXPIF-OLZOCXBDSA-N 0 1 405.476 3.819 20 5 HHBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000541442861 1012199006 /nfs/dbraw/zinc/19/90/06/1012199006.db2.gz RBPNSPHKWXMEQS-GOSISDBHSA-N 0 1 420.473 3.512 20 5 HHBDMN Cn1ccnc1[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552223997 1012236419 /nfs/dbraw/zinc/23/64/19/1012236419.db2.gz BCMKZATXQQULKT-IRLDBZIGSA-N 0 1 405.502 3.672 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN([C@@H]4CCN(c5cccc([N+](=O)[O-])c5)C4=O)C3)[nH]c2c1 ZINC000537018312 1012321823 /nfs/dbraw/zinc/32/18/23/1012321823.db2.gz RRQSMGWWUOSHLJ-IIBYNOLFSA-N 0 1 419.485 3.764 20 5 HHBDMN O=C(NCCNCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 ZINC000541538619 1012322534 /nfs/dbraw/zinc/32/25/34/1012322534.db2.gz SVJYUILGDJYXBM-UHFFFAOYSA-N 0 1 412.671 3.530 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(CC(=O)Nc4c(C)cccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000537021360 1012327761 /nfs/dbraw/zinc/32/77/61/1012327761.db2.gz SARCTXOIAQMFJD-INIZCTEOSA-N 0 1 407.474 3.906 20 5 HHBDMN C[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000552321392 1012331243 /nfs/dbraw/zinc/33/12/43/1012331243.db2.gz PMPRFNDWGPODCX-LLVKDONJSA-N 0 1 418.302 3.531 20 5 HHBDMN COc1cc([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccc1OC(C)C ZINC000537052822 1012380707 /nfs/dbraw/zinc/38/07/07/1012380707.db2.gz UCCFYWDQSTYIFF-HNNXBMFYSA-N 0 1 401.463 3.988 20 5 HHBDMN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000537074356 1012416164 /nfs/dbraw/zinc/41/61/64/1012416164.db2.gz FHEGQJNPHRFPSG-FOIQADDNSA-N 0 1 413.474 3.626 20 5 HHBDMN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000537108117 1012479066 /nfs/dbraw/zinc/47/90/66/1012479066.db2.gz CUJVJTQADJVUQO-HZPDHXFCSA-N 0 1 410.474 3.708 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CC(C)C)c1ccccc1OC ZINC000537174310 1012580738 /nfs/dbraw/zinc/58/07/38/1012580738.db2.gz FJBXJCFXNDRRRO-GOSISDBHSA-N 0 1 401.463 3.928 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000552813055 1012820664 /nfs/dbraw/zinc/82/06/64/1012820664.db2.gz WCBLNVNXOFGLSR-IBGZPJMESA-N 0 1 408.433 3.829 20 5 HHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)ccc1Br ZINC000760344385 1072267246 /nfs/dbraw/zinc/26/72/46/1072267246.db2.gz MGUSXCNSARAXTB-UHFFFAOYSA-N 0 1 424.232 3.813 20 5 HHBDMN O=C(c1nc[nH]c1-c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)c1ccccc1 ZINC000589136588 1073450629 /nfs/dbraw/zinc/45/06/29/1073450629.db2.gz BRSJBMMIWBTTGL-UHFFFAOYSA-N 0 1 414.381 3.671 20 5 HHBDMN O=C(c1[nH]cnc1-c1nc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)no1)c1ccccc1 ZINC000589136588 1073450640 /nfs/dbraw/zinc/45/06/40/1073450640.db2.gz BRSJBMMIWBTTGL-UHFFFAOYSA-N 0 1 414.381 3.671 20 5 HHBDMN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000590499158 1073860328 /nfs/dbraw/zinc/86/03/28/1073860328.db2.gz AWSBEROLPMJCEZ-HUUCEWRRSA-N 0 1 417.487 3.799 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164905995 721584690 /nfs/dbraw/zinc/58/46/90/721584690.db2.gz KVAUEFXTQGITDU-GOSISDBHSA-N 0 1 423.851 3.776 20 5 HHBDMN CCN1CCN(c2ccc(CNc3cc(Br)ccc3[N+](=O)[O-])cn2)CC1 ZINC000301693342 971030650 /nfs/dbraw/zinc/03/06/50/971030650.db2.gz XRQKBTKBROWGMM-UHFFFAOYSA-N 0 1 420.311 3.506 20 5 HHBDMN COc1ccc(-c2n[nH]c(Sc3ncccc3[N+](=O)[O-])n2)cc1Br ZINC000302695001 971282950 /nfs/dbraw/zinc/28/29/50/971282950.db2.gz SLLKWXPOMASWHQ-UHFFFAOYSA-N 0 1 408.237 3.697 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000537560554 1013087715 /nfs/dbraw/zinc/08/77/15/1013087715.db2.gz GZFAZKRYQAZDAR-HNNXBMFYSA-N 0 1 422.445 3.800 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CCN([C@H](C)c3ccccc3)CC2)c1C ZINC000303610428 971897460 /nfs/dbraw/zinc/89/74/60/971897460.db2.gz BLTFAFXXOQEIIB-QGZVFWFLSA-N 0 1 417.531 3.716 20 5 HHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccccc3OCc3cccnc3)C2)nc1 ZINC000537634335 1013189876 /nfs/dbraw/zinc/18/98/76/1013189876.db2.gz IEYZKGJNKQQHSJ-IBGZPJMESA-N 0 1 405.458 3.650 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000537652359 1013213989 /nfs/dbraw/zinc/21/39/89/1013213989.db2.gz PVXCGCOQXHCBFL-UHFFFAOYSA-N 0 1 415.265 3.613 20 5 HHBDMN COc1cc(F)c([C@@H](C)NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000553333424 1013280624 /nfs/dbraw/zinc/28/06/24/1013280624.db2.gz UVABSUKHBMZXOW-CYBMUJFWSA-N 0 1 405.426 3.739 20 5 HHBDMN CN1CC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000542381950 1013336344 /nfs/dbraw/zinc/33/63/44/1013336344.db2.gz SXPQQCYCCOOGAF-DNVCBOLYSA-N 0 1 405.907 3.902 20 5 HHBDMN COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)c1 ZINC000014628575 962541757 /nfs/dbraw/zinc/54/17/57/962541757.db2.gz OFVNBJSCNQJLPE-IBGZPJMESA-N 0 1 403.866 3.824 20 5 HHBDMN O=C(Nc1cccc(F)c1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000015414677 962753651 /nfs/dbraw/zinc/75/36/51/962753651.db2.gz QPYDUADUZUMHJG-UHFFFAOYSA-N 0 1 415.402 3.787 20 5 HHBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000020936118 963406223 /nfs/dbraw/zinc/40/62/23/963406223.db2.gz VEWGQPXCKWYYBD-LJQANCHMSA-N 0 1 400.479 3.723 20 5 HHBDMN CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000023156724 963776544 /nfs/dbraw/zinc/77/65/44/963776544.db2.gz PTXCTVNJBGHHSU-UHFFFAOYSA-N 0 1 419.503 3.966 20 5 HHBDMN CC1CCN(c2ccc(C(=O)NC[C@@H](c3ccsc3)N(C)C)cc2[N+](=O)[O-])CC1 ZINC000025330352 964242520 /nfs/dbraw/zinc/24/25/20/964242520.db2.gz FYLHHTSDWDBTQO-FQEVSTJZSA-N 0 1 416.547 3.925 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccs1 ZINC000050551414 964351978 /nfs/dbraw/zinc/35/19/78/964351978.db2.gz QMHQJLAQSPGGBC-HNNXBMFYSA-N 0 1 402.501 3.813 20 5 HHBDMN CC(C)(CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000029161512 965290249 /nfs/dbraw/zinc/29/02/49/965290249.db2.gz AINWQYJBUXGVNZ-UHFFFAOYSA-N 0 1 408.502 3.736 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000030001673 965590497 /nfs/dbraw/zinc/59/04/97/965590497.db2.gz GQJWLDAJKUFCDN-HUUCEWRRSA-N 0 1 400.435 3.724 20 5 HHBDMN Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055639261 965983503 /nfs/dbraw/zinc/98/35/03/965983503.db2.gz KPMBUECBGHWQNS-UHFFFAOYSA-N 0 1 417.487 3.767 20 5 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CC(C)NS(=O)(=O)c1cccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433160805 979107636 /nfs/dbraw/zinc/10/76/36/979107636.db2.gz PTQXKOGRAXUQCD-FQEVSTJZSA-N 0 1 417.531 3.794 20 5 HHBDMN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000434239853 980009265 /nfs/dbraw/zinc/00/92/65/980009265.db2.gz NJNONGNVPYDXIM-INIZCTEOSA-N 0 1 421.448 3.629 20 5 HHBDMN COc1cc2c(cc1OC)CCN([C@@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000434810769 980414770 /nfs/dbraw/zinc/41/47/70/980414770.db2.gz UJAOBOBJTSZGET-AWEZNQCLSA-N 0 1 424.457 3.824 20 5 HHBDMN Cc1c(NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc(Br)cc1[N+](=O)[O-] ZINC000435318666 980778971 /nfs/dbraw/zinc/77/89/71/980778971.db2.gz IFPYTQJKGYZBRE-VIFPVBQESA-N 0 1 411.260 3.790 20 5 HHBDMN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cn1 ZINC000435986648 981133072 /nfs/dbraw/zinc/13/30/72/981133072.db2.gz UZHCKSKFZAWYNM-UHFFFAOYSA-N 0 1 424.848 3.701 20 5 HHBDMN C[C@@H](Sc1nc(-c2ccccc2O)n[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000436853583 981592234 /nfs/dbraw/zinc/59/22/34/981592234.db2.gz KNBYJQAZWJODIY-SNVBAGLBSA-N 0 1 410.415 3.989 20 5 HHBDMN O=[N+]([O-])c1ccccc1NCCc1noc(-c2ccc(Br)cc2O)n1 ZINC000436930838 981630130 /nfs/dbraw/zinc/63/01/30/981630130.db2.gz HKIBMCYUOCUJEB-UHFFFAOYSA-N 0 1 405.208 3.768 20 5 HHBDMN Cc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000436975017 981660462 /nfs/dbraw/zinc/66/04/62/981660462.db2.gz FRNSGRSMFDOWFE-SFHVURJKSA-N 0 1 421.457 3.505 20 5 HHBDMN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cc2ccccc2c2cccnc12 ZINC000448272940 981665461 /nfs/dbraw/zinc/66/54/61/981665461.db2.gz POEZRAMUXGDQOX-OAQYLSRUSA-N 0 1 411.505 3.537 20 5 HHBDMN CC(C)(C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)n1cc([N+](=O)[O-])cn1 ZINC000437532828 982159284 /nfs/dbraw/zinc/15/92/84/982159284.db2.gz ATSCEWKPKFRMEB-UHFFFAOYSA-N 0 1 417.429 3.617 20 5 HHBDMN CC(C)(C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)n1cc([N+](=O)[O-])cn1 ZINC000437532828 982159290 /nfs/dbraw/zinc/15/92/90/982159290.db2.gz ATSCEWKPKFRMEB-UHFFFAOYSA-N 0 1 417.429 3.617 20 5 HHBDMN COc1ccc(OCCN[C@H](C(=O)Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000438671015 982989989 /nfs/dbraw/zinc/98/99/89/982989989.db2.gz MIPLCMOPWGXQJH-QFIPXVFZSA-N 0 1 421.453 3.952 20 5 HHBDMN Cc1c(CC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000438836820 983106121 /nfs/dbraw/zinc/10/61/21/983106121.db2.gz QFYGLOQMDJRGFG-SFHVURJKSA-N 0 1 421.419 3.855 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)N1CCCCC1 ZINC000439108126 983253335 /nfs/dbraw/zinc/25/33/35/983253335.db2.gz BQZCRQLWWAOPRK-OAQYLSRUSA-N 0 1 411.502 3.798 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000439888105 983571270 /nfs/dbraw/zinc/57/12/70/983571270.db2.gz MIXUKCIUKAWYGX-QGZVFWFLSA-N 0 1 402.451 3.854 20 5 HHBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000440534369 983786881 /nfs/dbraw/zinc/78/68/81/983786881.db2.gz QPCGYWLYSHKPKS-UHFFFAOYSA-N 0 1 424.457 3.744 20 5 HHBDMN CN(CC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000440758952 983891526 /nfs/dbraw/zinc/89/15/26/983891526.db2.gz KGMVOEIXIKPAOM-GOSISDBHSA-N 0 1 413.865 3.924 20 5 HHBDMN COc1ccc(OC)c([C@@H]2CCCN2CCOc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000441194625 984109155 /nfs/dbraw/zinc/10/91/55/984109155.db2.gz ZIIRRMWNNGSOKN-SFHVURJKSA-N 0 1 402.447 3.837 20 5 HHBDMN COc1ccc(OCCN2CCC[C@@H]2c2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1 ZINC000441247401 984137023 /nfs/dbraw/zinc/13/70/23/984137023.db2.gz RQDVDNIOPZDGJG-QGZVFWFLSA-N 0 1 402.447 3.837 20 5 HHBDMN CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000441816348 984473369 /nfs/dbraw/zinc/47/33/69/984473369.db2.gz CEYVRQPXSHRUSY-SFHVURJKSA-N 0 1 411.502 3.875 20 5 HHBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(Br)c1 ZINC000462015460 984994109 /nfs/dbraw/zinc/99/41/09/984994109.db2.gz JYYUCOSJDRGWLR-JTQLQIEISA-N 0 1 416.235 3.885 20 5 HHBDMN COc1cccc(CCCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000462160589 985135589 /nfs/dbraw/zinc/13/55/89/985135589.db2.gz BAYUTHIKTFFSHG-UHFFFAOYSA-N 0 1 419.286 3.821 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1cccc2cccnc21 ZINC000462163868 985139228 /nfs/dbraw/zinc/13/92/28/985139228.db2.gz LQKFDHUAOUFMCK-UHFFFAOYSA-N 0 1 412.254 3.928 20 5 HHBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000462425992 985398104 /nfs/dbraw/zinc/39/81/04/985398104.db2.gz FZWWCFJOVUSDSM-MRVPVSSYSA-N 0 1 419.242 3.670 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCOc2ccccc21 ZINC000462475982 985432906 /nfs/dbraw/zinc/43/29/06/985432906.db2.gz YPLHIBSHIWRGMI-LBPRGKRZSA-N 0 1 403.243 3.704 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)ccc1[N+](=O)[O-] ZINC000443414623 985569866 /nfs/dbraw/zinc/56/98/66/985569866.db2.gz CRYOFMAAQKHULI-UHFFFAOYSA-N 0 1 408.329 3.784 20 5 HHBDMN COc1ccc(NC(=O)C[C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000468038444 985694734 /nfs/dbraw/zinc/69/47/34/985694734.db2.gz NPLHSGTZODZANY-LBPRGKRZSA-N 0 1 407.854 3.772 20 5 HHBDMN C[C@@H](CN1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000462860210 985785468 /nfs/dbraw/zinc/78/54/68/985785468.db2.gz FMRFPSIENCNSTP-HNNXBMFYSA-N 0 1 406.433 3.819 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443656836 985854549 /nfs/dbraw/zinc/85/45/49/985854549.db2.gz MTKYDRDIYBLCDO-OAHLLOKOSA-N 0 1 419.865 3.739 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnc[nH]3)cc2F)cc1SC ZINC000468205245 985895076 /nfs/dbraw/zinc/89/50/76/985895076.db2.gz GVDWEUAVWCMTSZ-UHFFFAOYSA-N 0 1 403.395 3.502 20 5 HHBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000468219413 985914901 /nfs/dbraw/zinc/91/49/01/985914901.db2.gz CDBDGXRNAUGTMC-UHFFFAOYSA-N 0 1 413.412 3.718 20 5 HHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(CCCOc1ccccc1)C1CCOCC1 ZINC000468588180 986295890 /nfs/dbraw/zinc/29/58/90/986295890.db2.gz JPUDWEGCQPQQLY-UHFFFAOYSA-N 0 1 424.457 3.561 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N(C)C)c1 ZINC000463435600 986411620 /nfs/dbraw/zinc/41/16/20/986411620.db2.gz UJYXODSOZJCLQG-QGZVFWFLSA-N 0 1 411.380 3.655 20 5 HHBDMN CCc1[nH]nc(C(=O)N2Cc3cc(OC)ccc3C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000444293613 986480015 /nfs/dbraw/zinc/48/00/15/986480015.db2.gz MAVZQFOMJXOHBN-IBGZPJMESA-N 0 1 406.442 3.829 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC000444342898 986522079 /nfs/dbraw/zinc/52/20/79/986522079.db2.gz NEMIKBHIJXFXNN-HNNXBMFYSA-N 0 1 410.434 3.688 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccccc2COc2ccccc2)ccc1[N+](=O)[O-] ZINC000468824983 986534524 /nfs/dbraw/zinc/53/45/24/986534524.db2.gz DIMLKAQKYONBGV-UHFFFAOYSA-N 0 1 414.439 3.983 20 5 HHBDMN COc1cccc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1[N+](=O)[O-] ZINC000444370563 986547266 /nfs/dbraw/zinc/54/72/66/986547266.db2.gz ZSJYWGAIHGETFV-HNNXBMFYSA-N 0 1 411.380 3.655 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccccc2CCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000468924913 986630835 /nfs/dbraw/zinc/63/08/35/986630835.db2.gz KWDPLHHEPHMPOB-UHFFFAOYSA-N 0 1 404.366 3.899 20 5 HHBDMN COC(=O)C[C@]1(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCOC1 ZINC000463712258 986698717 /nfs/dbraw/zinc/69/87/17/986698717.db2.gz UUYPHHQJUWDCJF-HXUWFJFHSA-N 0 1 420.849 3.852 20 5 HHBDMN CC(C)(COc1ccc(C(F)(F)F)cn1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688117 986866914 /nfs/dbraw/zinc/86/69/14/986866914.db2.gz XKWFUDGBTMQUAH-UHFFFAOYSA-N 0 1 409.368 3.832 20 5 HHBDMN CC[C@H](C)C[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000463910394 988019252 /nfs/dbraw/zinc/01/92/52/988019252.db2.gz MAJXGHRMCRRFKK-GJZGRUSLSA-N 0 1 419.503 3.950 20 5 HHBDMN CN(C)[C@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000470164775 988077753 /nfs/dbraw/zinc/07/77/53/988077753.db2.gz YGZCUBOKLLMMDU-GOSISDBHSA-N 0 1 424.423 3.758 20 5 HHBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cn(C(C)(C)C)nc2C)c([N+](=O)[O-])c1 ZINC000464607023 988789446 /nfs/dbraw/zinc/78/94/46/988789446.db2.gz XSQAWXJNUXXDLF-JSGCOSHPSA-N 0 1 403.483 3.541 20 5 HHBDMN CCSCC[C@@H](C)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000464856032 989109025 /nfs/dbraw/zinc/10/90/25/989109025.db2.gz RHTHCBTVXAVEBV-LLVKDONJSA-N 0 1 404.330 3.759 20 5 HHBDMN COc1ccc(CN[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000466446617 991735733 /nfs/dbraw/zinc/73/57/33/991735733.db2.gz RZWVYXNDABNRDU-HNNXBMFYSA-N 0 1 423.391 3.513 20 5 HHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000466450358 991741073 /nfs/dbraw/zinc/74/10/73/991741073.db2.gz UNPINNMARMILMW-CQSZACIVSA-N 0 1 424.314 3.782 20 5 HHBDMN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cnn1-c1ccccc1 ZINC000466475458 991766697 /nfs/dbraw/zinc/76/66/97/991766697.db2.gz UCENREDWTSWYOH-UHFFFAOYSA-N 0 1 423.454 3.692 20 5 HHBDMN CS(=O)(=O)c1ccc(N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000466824406 992133118 /nfs/dbraw/zinc/13/31/18/992133118.db2.gz ILJMFDUBKHTDDN-INIZCTEOSA-N 0 1 420.878 3.870 20 5 HHBDMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467114117 992427365 /nfs/dbraw/zinc/42/73/65/992427365.db2.gz MQJISTVJLDHPJI-OAHLLOKOSA-N 0 1 411.355 3.757 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000467781157 993019419 /nfs/dbraw/zinc/01/94/19/993019419.db2.gz BFFQYDQPGXENAQ-STQMWFEESA-N 0 1 419.290 3.560 20 5 HHBDMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480731283 993597893 /nfs/dbraw/zinc/59/78/93/993597893.db2.gz MCZLBQCCQIUJFK-HKUYNNGSSA-N 0 1 415.515 3.517 20 5 HHBDMN COc1ccc(NC(=O)CN[C@H](C)[C@@H](OC)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000481387822 994218996 /nfs/dbraw/zinc/21/89/96/994218996.db2.gz CMOMNSXMWJUGMC-CWTRNNRKSA-N 0 1 407.854 3.561 20 5 HHBDMN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481673770 994533536 /nfs/dbraw/zinc/53/35/36/994533536.db2.gz UCZFBWIPRZNBNN-SJCJKPOMSA-N 0 1 411.911 3.958 20 5 HHBDMN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(C)c1 ZINC000481985434 994883786 /nfs/dbraw/zinc/88/37/86/994883786.db2.gz XJNLWSFEQGHVCP-OAHLLOKOSA-N 0 1 419.503 3.849 20 5 HHBDMN COC(=O)COc1ccc(CN[C@@H]2CCCOc3c(Cl)cccc32)cc1[N+](=O)[O-] ZINC000474006765 994997371 /nfs/dbraw/zinc/99/73/71/994997371.db2.gz DVRHUKIPQLMNTR-MRXNPFEDSA-N 0 1 420.849 3.804 20 5 HHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000474896646 995786232 /nfs/dbraw/zinc/78/62/32/995786232.db2.gz QMLZCQWKZIHNBB-INIZCTEOSA-N 0 1 420.347 3.704 20 5 HHBDMN COC(=O)COc1ccc(CN2CCC(c3cccc(OC)c3)CC2)cc1[N+](=O)[O-] ZINC000475113677 995930557 /nfs/dbraw/zinc/93/05/57/995930557.db2.gz FGGOAMNOFOSMJW-UHFFFAOYSA-N 0 1 414.458 3.535 20 5 HHBDMN COC(=O)COc1ccc(CN2CCC(Nc3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000475719275 996322064 /nfs/dbraw/zinc/32/20/64/996322064.db2.gz GECTYEXJFQPPJF-UHFFFAOYSA-N 0 1 413.474 3.532 20 5 HHBDMN COc1c(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000476058802 996572181 /nfs/dbraw/zinc/57/21/81/996572181.db2.gz DWMKSLAMBGVWHW-OAHLLOKOSA-N 0 1 423.391 3.627 20 5 HHBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1nccn1CCc1ccccc1 ZINC000484297467 996686520 /nfs/dbraw/zinc/68/65/20/996686520.db2.gz UJGBTNQOGCGTTJ-KRWDZBQOSA-N 0 1 407.474 3.541 20 5 HHBDMN COc1ccc(-c2csc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)n2)cc1OC ZINC000476524589 997013027 /nfs/dbraw/zinc/01/30/27/997013027.db2.gz MWDQPZYTSBFDGP-UHFFFAOYSA-N 0 1 401.400 3.693 20 5 HHBDMN CCN1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)cn2)CC1 ZINC000484930339 997305871 /nfs/dbraw/zinc/30/58/71/997305871.db2.gz BLDQNGXRDZJISD-UHFFFAOYSA-N 0 1 413.522 3.921 20 5 HHBDMN C[C@@H]1CCCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000476827795 997388635 /nfs/dbraw/zinc/38/86/35/997388635.db2.gz WUWXHWCYGXOMDQ-OAHLLOKOSA-N 0 1 417.487 3.658 20 5 HHBDMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000485125530 997510381 /nfs/dbraw/zinc/51/03/81/997510381.db2.gz ZONOJCSDWFKVLY-UHFFFAOYSA-N 0 1 415.312 3.980 20 5 HHBDMN Cc1nc(-c2ccc(CNS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])o2)cs1 ZINC000477125765 997781354 /nfs/dbraw/zinc/78/13/54/997781354.db2.gz NBOWFUPKEPFAGP-UHFFFAOYSA-N 0 1 413.864 3.752 20 5 HHBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477243235 997917130 /nfs/dbraw/zinc/91/71/30/997917130.db2.gz HILZXJZAGUTUBA-KGLIPLIRSA-N 0 1 423.477 3.895 20 5 HHBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000477381383 998068553 /nfs/dbraw/zinc/06/85/53/998068553.db2.gz CISIFQIJOPFCTN-LBPRGKRZSA-N 0 1 409.845 3.533 20 5 HHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000477501573 998222785 /nfs/dbraw/zinc/22/27/85/998222785.db2.gz PMBOWRVYTMVWPK-UHFFFAOYSA-N 0 1 405.857 3.711 20 5 HHBDMN CSc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000485759423 998232168 /nfs/dbraw/zinc/23/21/68/998232168.db2.gz SGRAJZCNZCYOSN-UHFFFAOYSA-N 0 1 420.922 3.974 20 5 HHBDMN COc1ccc2c(c1)[C@@H](N(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1)CCO2 ZINC000478032795 998724738 /nfs/dbraw/zinc/72/47/38/998724738.db2.gz YHPXFDAUAQFLGM-FQEVSTJZSA-N 0 1 408.458 3.826 20 5 HHBDMN COc1cc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000478105174 998762067 /nfs/dbraw/zinc/76/20/67/998762067.db2.gz ADEMJDCQUWNRFE-UHFFFAOYSA-N 0 1 418.881 3.569 20 5 HHBDMN C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000478566546 999027736 /nfs/dbraw/zinc/02/77/36/999027736.db2.gz QCLZBGHSQXJDRF-SCLBCKFNSA-N 0 1 407.829 3.516 20 5 HHBDMN COC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000487368273 999149632 /nfs/dbraw/zinc/14/96/32/999149632.db2.gz SRYLWYDKAKBPMI-CYBMUJFWSA-N 0 1 405.259 3.568 20 5 HHBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000478982492 999233771 /nfs/dbraw/zinc/23/37/71/999233771.db2.gz KRWVDFQEENYEIP-GOSISDBHSA-N 0 1 421.494 3.505 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccco1 ZINC000487977001 999333877 /nfs/dbraw/zinc/33/38/77/999333877.db2.gz IMXUUAIAYXFQGI-IBGZPJMESA-N 0 1 400.479 3.945 20 5 HHBDMN CC(C)(C)[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000479488457 999440240 /nfs/dbraw/zinc/44/02/40/999440240.db2.gz QDVXJVVLGRHKEC-GWCFXTLKSA-N 0 1 411.307 3.774 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC000479537922 999466635 /nfs/dbraw/zinc/46/66/35/999466635.db2.gz HURSQAFUOKWXOE-UHFFFAOYSA-N 0 1 409.370 3.854 20 5 HHBDMN O=C(NC1CCN(Cc2cccnc2)CC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000479621821 999505184 /nfs/dbraw/zinc/50/51/84/999505184.db2.gz SFLWBOBIHKHSDJ-UHFFFAOYSA-N 0 1 423.498 3.508 20 5 HHBDMN Cc1cc(C[C@H](C)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 ZINC000489023743 999675153 /nfs/dbraw/zinc/67/51/53/999675153.db2.gz JEALKDISYDYCIA-DZGCQCFKSA-N 0 1 408.462 3.555 20 5 HHBDMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000489130838 999707887 /nfs/dbraw/zinc/70/78/87/999707887.db2.gz REOUGUBVHUEPEP-UHFFFAOYSA-N 0 1 416.319 3.928 20 5 HHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000489502181 999779296 /nfs/dbraw/zinc/77/92/96/999779296.db2.gz WDIJLMSDWUXVEB-GHMZBOCLSA-N 0 1 400.464 3.841 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000489603798 999801030 /nfs/dbraw/zinc/80/10/30/999801030.db2.gz INUIJNODOBKFNK-UHFFFAOYSA-N 0 1 423.517 3.933 20 5 HHBDMN CN(C)[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(F)cc1 ZINC000489707073 999821759 /nfs/dbraw/zinc/82/17/59/999821759.db2.gz DJEBJKBBLCZKRQ-FQEVSTJZSA-N 0 1 400.454 3.711 20 5 HHBDMN O=[N+]([O-])c1ccc(N[C@H](c2nnc[nH]2)c2ccccc2)nc1OCc1ccccc1 ZINC000489932494 999865485 /nfs/dbraw/zinc/86/54/85/999865485.db2.gz ZVAKQBKFOVMODP-IBGZPJMESA-N 0 1 402.414 3.888 20 5 HHBDMN C[C@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nc(C(F)(F)F)cs1 ZINC000490090917 999891842 /nfs/dbraw/zinc/89/18/42/999891842.db2.gz HQFZBFOVYWVQND-VIFPVBQESA-N 0 1 416.381 3.719 20 5 HHBDMN CN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)CC1 ZINC000490394227 999950353 /nfs/dbraw/zinc/95/03/53/999950353.db2.gz BYUHBOOFRBBBLU-UHFFFAOYSA-N 0 1 402.882 3.638 20 5 HHBDMN O=[N+]([O-])c1cccc([C@H](NC[C@@H](O)COc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC000491008018 1000033575 /nfs/dbraw/zinc/03/35/75/1000033575.db2.gz OZTGRODRRRIJJD-XMSQKQJNSA-N 0 1 414.408 3.992 20 5 HHBDMN COc1cc(CNCc2cccc(-n3ccnc3)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491043052 1000038713 /nfs/dbraw/zinc/03/87/13/1000038713.db2.gz YRYUARMUFYPSDT-UHFFFAOYSA-N 0 1 418.400 3.723 20 5 HHBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2nncn2C(C)C)cc1[N+](=O)[O-] ZINC000491605370 1000089431 /nfs/dbraw/zinc/08/94/31/1000089431.db2.gz VBWCDJDMRAXWPG-UHFFFAOYSA-N 0 1 415.475 3.852 20 5 HHBDMN CCOc1cc(CN2CCC(n3cc(Br)cn3)CC2)ccc1[N+](=O)[O-] ZINC000492633901 1000136359 /nfs/dbraw/zinc/13/63/59/1000136359.db2.gz VWNIIOLCAAPCEP-UHFFFAOYSA-N 0 1 409.284 3.790 20 5 HHBDMN COC(=O)c1cccc2nc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c21 ZINC000494126616 1000319211 /nfs/dbraw/zinc/31/92/11/1000319211.db2.gz AXGYNZFKFVWPHL-UHFFFAOYSA-N 0 1 408.292 3.529 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000504906382 1000440125 /nfs/dbraw/zinc/44/01/25/1000440125.db2.gz XGYPVMUXJCOFSX-FXAWDEMLSA-N 0 1 411.502 3.878 20 5 HHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000494499743 1000526164 /nfs/dbraw/zinc/52/61/64/1000526164.db2.gz AVUDBIZZOAPHKP-KHDYIWLOSA-N 0 1 419.865 3.704 20 5 HHBDMN O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000505075903 1000538055 /nfs/dbraw/zinc/53/80/55/1000538055.db2.gz KXMOWEMJFNHFMB-UHFFFAOYSA-N 0 1 400.822 3.560 20 5 HHBDMN CN(C[C@@H]1CCOC1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000494964331 1000755025 /nfs/dbraw/zinc/75/50/25/1000755025.db2.gz OLACKJRMUCZERC-IFXJQAMLSA-N 0 1 403.866 3.896 20 5 HHBDMN CC(C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n[nH]1 ZINC000496673212 1001213609 /nfs/dbraw/zinc/21/36/09/1001213609.db2.gz OWZLKOIWYIEYEF-CQSZACIVSA-N 0 1 408.462 3.939 20 5 HHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000506182678 1001264902 /nfs/dbraw/zinc/26/49/02/1001264902.db2.gz LUHHEUOHOWTNJX-SFHVURJKSA-N 0 1 415.833 3.542 20 5 HHBDMN Cn1c2ccccc2nc1[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000506209954 1001280419 /nfs/dbraw/zinc/28/04/19/1001280419.db2.gz YDTMAXYIJLBUFJ-HXUWFJFHSA-N 0 1 402.410 3.707 20 5 HHBDMN Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n(-c2cccc(Br)c2)n1 ZINC000506210198 1001280762 /nfs/dbraw/zinc/28/07/62/1001280762.db2.gz YXKBMDCUZXMWJB-UHFFFAOYSA-N 0 1 417.219 3.809 20 5 HHBDMN CN(C)C(=O)[C@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000506244929 1001303281 /nfs/dbraw/zinc/30/32/81/1001303281.db2.gz FYHPBLBNEBFCMN-MRXNPFEDSA-N 0 1 422.279 3.670 20 5 HHBDMN C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CN(C)C[C@@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000497404406 1001341895 /nfs/dbraw/zinc/34/18/95/1001341895.db2.gz WFVYIBIGBRAOLX-DUXKGJEZSA-N 0 1 422.529 3.659 20 5 HHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n2)cc1 ZINC000497569008 1001439622 /nfs/dbraw/zinc/43/96/22/1001439622.db2.gz AYCYIECUZKLDEB-UHFFFAOYSA-N 0 1 423.498 3.972 20 5 HHBDMN CN(c1ccccc1)c1ccc(CN2CCC(NC(=O)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000506647855 1001482360 /nfs/dbraw/zinc/48/23/60/1001482360.db2.gz XYPBXNBTBPAZEW-UHFFFAOYSA-N 0 1 408.502 3.853 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000498044866 1001619730 /nfs/dbraw/zinc/61/97/30/1001619730.db2.gz IBLWGRKFXPSYHO-CYBMUJFWSA-N 0 1 421.295 3.909 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000498070204 1001629733 /nfs/dbraw/zinc/62/97/33/1001629733.db2.gz RFGMKHVDLSUPDH-GOSISDBHSA-N 0 1 403.866 3.824 20 5 HHBDMN COc1ccc(-c2cc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC000498154379 1001666408 /nfs/dbraw/zinc/66/64/08/1001666408.db2.gz XFRXVYWEJGPQPC-FQEVSTJZSA-N 0 1 410.455 3.881 20 5 HHBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2OC2CCOCC2)cc1[N+](=O)[O-] ZINC000507580012 1002184816 /nfs/dbraw/zinc/18/48/16/1002184816.db2.gz FLAUHJKYAAMBHO-UHFFFAOYSA-N 0 1 424.450 3.709 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)CCNc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000508213627 1002745017 /nfs/dbraw/zinc/74/50/17/1002745017.db2.gz AUQZHRGJEKQXGR-INIZCTEOSA-N 0 1 407.474 3.988 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cc(Cc3ccccn3)ccc2C)ccc1[N+](=O)[O-] ZINC000509386788 1003815841 /nfs/dbraw/zinc/81/58/41/1003815841.db2.gz SEKHWYMLHHSUBC-UHFFFAOYSA-N 0 1 413.455 3.698 20 5 HHBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCc2ccccc2C1 ZINC000512318307 1004213350 /nfs/dbraw/zinc/21/33/50/1004213350.db2.gz NFBBHJKKKMEPBT-OAHLLOKOSA-N 0 1 418.291 3.785 20 5 HHBDMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000512958290 1004728045 /nfs/dbraw/zinc/72/80/45/1004728045.db2.gz FGBJGUIXBADOLW-PBHICJAKSA-N 0 1 421.906 3.553 20 5 HHBDMN CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000513106563 1004810481 /nfs/dbraw/zinc/81/04/81/1004810481.db2.gz NYPPMDFASQBUAK-UHFFFAOYSA-N 0 1 419.428 3.933 20 5 HHBDMN O=C(CN[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000513196796 1004855873 /nfs/dbraw/zinc/85/58/73/1004855873.db2.gz QZJRDCLLTPBGLW-LJQANCHMSA-N 0 1 423.391 3.544 20 5 HHBDMN C[C@@H](NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2n[nH]cc2c1 ZINC000513402436 1004945976 /nfs/dbraw/zinc/94/59/76/1004945976.db2.gz WYIYXFUTTQZHNS-GFCCVEGCSA-N 0 1 422.470 3.884 20 5 HHBDMN COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)N2CCCCC2)cc1 ZINC000511061170 1005002785 /nfs/dbraw/zinc/00/27/85/1005002785.db2.gz BTWYIWOMYFAHDB-FQEVSTJZSA-N 0 1 413.474 3.569 20 5 HHBDMN CCCOc1cc(NC(=O)N2CCN(C3CCC3)CC2)c([N+](=O)[O-])cc1OCCC ZINC000502329127 1005015329 /nfs/dbraw/zinc/01/53/29/1005015329.db2.gz YNGOBDWLOYKITR-UHFFFAOYSA-N 0 1 420.510 3.874 20 5 HHBDMN Cc1nc([C@H]2CCCCN2C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC000513944339 1005197671 /nfs/dbraw/zinc/19/76/71/1005197671.db2.gz MRXHGLCJTIGHOI-RDTXWAMCSA-N 0 1 412.494 3.625 20 5 HHBDMN CN([C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@@H]1CCC[C@H]1O ZINC000511573341 1005229897 /nfs/dbraw/zinc/22/98/97/1005229897.db2.gz HWBCXPOGGCMYPM-GUDVDZBRSA-N 0 1 403.866 3.773 20 5 HHBDMN COc1cc(CSc2nc(C(C)(C)C)n[nH]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000502867709 1005250456 /nfs/dbraw/zinc/25/04/56/1005250456.db2.gz BAXLBRRIQKXLJX-UHFFFAOYSA-N 0 1 402.423 3.955 20 5 HHBDMN COc1cc(CSc2n[nH]c(C(C)(C)C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000502867709 1005250459 /nfs/dbraw/zinc/25/04/59/1005250459.db2.gz BAXLBRRIQKXLJX-UHFFFAOYSA-N 0 1 402.423 3.955 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@](F)(c2ccccc2C)C1 ZINC000502875860 1005254148 /nfs/dbraw/zinc/25/41/48/1005254148.db2.gz NLDYRURGENREBV-OAQYLSRUSA-N 0 1 401.438 3.811 20 5 HHBDMN O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000511743440 1005302765 /nfs/dbraw/zinc/30/27/65/1005302765.db2.gz SSYULXAXSXSPJK-INIZCTEOSA-N 0 1 403.866 3.738 20 5 HHBDMN O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000511743440 1005302768 /nfs/dbraw/zinc/30/27/68/1005302768.db2.gz SSYULXAXSXSPJK-INIZCTEOSA-N 0 1 403.866 3.738 20 5 HHBDMN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000503735856 1005487302 /nfs/dbraw/zinc/48/73/02/1005487302.db2.gz AXOQCLGTZXLHCI-KRWDZBQOSA-N 0 1 407.430 3.513 20 5 HHBDMN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000503735856 1005487304 /nfs/dbraw/zinc/48/73/04/1005487304.db2.gz AXOQCLGTZXLHCI-KRWDZBQOSA-N 0 1 407.430 3.513 20 5 HHBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000534134665 1006114731 /nfs/dbraw/zinc/11/47/31/1006114731.db2.gz NAMRCRWYFPASLE-HNNXBMFYSA-N 0 1 412.273 3.607 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2Sc2nccn2C)cc1[N+](=O)[O-] ZINC000531350292 1006141436 /nfs/dbraw/zinc/14/14/36/1006141436.db2.gz MCAJZKAVWMCWJJ-UHFFFAOYSA-N 0 1 422.463 3.728 20 5 HHBDMN COc1cc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000534229752 1006228711 /nfs/dbraw/zinc/22/87/11/1006228711.db2.gz KCIQMYVLGQAAJQ-IFXJQAMLSA-N 0 1 421.856 3.819 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000532212230 1006725280 /nfs/dbraw/zinc/72/52/80/1006725280.db2.gz KNZYNNHSXVZSSO-SFHVURJKSA-N 0 1 414.487 3.922 20 5 HHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccccc3OCc3ccncc3)C2)nc1 ZINC000538736380 1007018636 /nfs/dbraw/zinc/01/86/36/1007018636.db2.gz YJDKUMAMMCPNKG-IBGZPJMESA-N 0 1 405.458 3.650 20 5 HHBDMN CN1CC[C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534971750 1007029547 /nfs/dbraw/zinc/02/95/47/1007029547.db2.gz PDBCCOKHQOQOEP-KXBFYZLASA-N 0 1 420.872 3.880 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCSC[C@@H]2CCO)cc1 ZINC000538812109 1007091657 /nfs/dbraw/zinc/09/16/57/1007091657.db2.gz XUKRKWWTTUNXIB-NRFANRHFSA-N 0 1 424.526 3.747 20 5 HHBDMN COc1ccc(Cl)cc1C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000532972191 1007339791 /nfs/dbraw/zinc/33/97/91/1007339791.db2.gz SDYDHZGUJWMKFY-AWEZNQCLSA-N 0 1 417.893 3.810 20 5 HHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(N3CCN(C)CC3)n2)no1 ZINC000517057689 1007387525 /nfs/dbraw/zinc/38/75/25/1007387525.db2.gz UWVPYZJQILKHRB-QGZVFWFLSA-N 0 1 422.489 3.528 20 5 HHBDMN CC1(N(Cc2ccc3c(c2)OCO3)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCC1 ZINC000533047779 1007409202 /nfs/dbraw/zinc/40/92/02/1007409202.db2.gz PAMPZUSCUZIANS-UHFFFAOYSA-N 0 1 411.458 3.757 20 5 HHBDMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517191141 1007495046 /nfs/dbraw/zinc/49/50/46/1007495046.db2.gz SSVZKIZSGVLHBD-AGHHOFFYSA-N 0 1 405.502 3.843 20 5 HHBDMN C[C@H](c1ccccc1)N1CC[C@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517191141 1007495051 /nfs/dbraw/zinc/49/50/51/1007495051.db2.gz SSVZKIZSGVLHBD-AGHHOFFYSA-N 0 1 405.502 3.843 20 5 HHBDMN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000533298400 1007614001 /nfs/dbraw/zinc/61/40/01/1007614001.db2.gz ZLEJNZPPVKRRQE-FQEVSTJZSA-N 0 1 420.469 3.920 20 5 HHBDMN CN(CCCN(C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccco1 ZINC000517411765 1007636410 /nfs/dbraw/zinc/63/64/10/1007636410.db2.gz OPRJUSOAJGRQBP-UHFFFAOYSA-N 0 1 408.886 3.547 20 5 HHBDMN COc1cc(OC)c(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000539378821 1007683222 /nfs/dbraw/zinc/68/32/22/1007683222.db2.gz IVEUTUCOGOZZRD-GFCCVEGCSA-N 0 1 407.854 3.863 20 5 HHBDMN Cc1c(NC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000533372284 1007683290 /nfs/dbraw/zinc/68/32/90/1007683290.db2.gz XOCALSSYHALTPQ-UHFFFAOYSA-N 0 1 402.882 3.707 20 5 HHBDMN CN1CC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000535672626 1007693016 /nfs/dbraw/zinc/69/30/16/1007693016.db2.gz WXCXRUNTYKTWOY-MGPUTAFESA-N 0 1 405.857 3.739 20 5 HHBDMN COc1ccc(CNCC2=Cc3cc(Br)ccc3OC2)cc1[N+](=O)[O-] ZINC000517547884 1007763883 /nfs/dbraw/zinc/76/38/83/1007763883.db2.gz ZVTXECMBDVVVNA-UHFFFAOYSA-N 0 1 405.248 3.932 20 5 HHBDMN C[C@H](CC(=O)c1cccs1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000536086935 1008110473 /nfs/dbraw/zinc/11/04/73/1008110473.db2.gz ODQHETMIKAQRLC-MRVPVSSYSA-N 0 1 423.299 3.903 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3c3n[nH]c(-c4ccccc4)n3)o2)cc1 ZINC000533868146 1008169614 /nfs/dbraw/zinc/16/96/14/1008169614.db2.gz UAVRCKZTJNQJQP-QGZVFWFLSA-N 0 1 417.429 3.767 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)o2)cc1 ZINC000533868146 1008169619 /nfs/dbraw/zinc/16/96/19/1008169619.db2.gz UAVRCKZTJNQJQP-QGZVFWFLSA-N 0 1 417.429 3.767 20 5 HHBDMN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000539932073 1008190769 /nfs/dbraw/zinc/19/07/69/1008190769.db2.gz QXTCUVZCUCUXCD-GOSISDBHSA-N 0 1 403.866 3.824 20 5 HHBDMN CCn1cnnc1-c1ccccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000518389017 1008285428 /nfs/dbraw/zinc/28/54/28/1008285428.db2.gz CNIMCYRQPQWLGI-UHFFFAOYSA-N 0 1 421.866 3.636 20 5 HHBDMN CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000540117886 1008296845 /nfs/dbraw/zinc/29/68/45/1008296845.db2.gz USAILYFZNVUNJB-WMLDXEAASA-N 0 1 417.487 3.799 20 5 HHBDMN Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] ZINC000540219329 1008340803 /nfs/dbraw/zinc/34/08/03/1008340803.db2.gz CPPACFZCWDBXHO-JKSUJKDBSA-N 0 1 403.504 3.855 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C[NH+]2CCSCC2)cc1C ZINC000540332647 1008384463 /nfs/dbraw/zinc/38/44/63/1008384463.db2.gz BICVUVUWKRRULJ-UHFFFAOYSA-N 0 1 421.544 3.561 20 5 HHBDMN COc1ccccc1[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000518666869 1008385088 /nfs/dbraw/zinc/38/50/88/1008385088.db2.gz LYVLCLCIMPJVFQ-FQEVSTJZSA-N 0 1 402.410 3.999 20 5 HHBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)c1 ZINC000518697742 1008396015 /nfs/dbraw/zinc/39/60/15/1008396015.db2.gz GQIQCUBXMRBLGD-UHFFFAOYSA-N 0 1 424.232 3.813 20 5 HHBDMN CC(C)c1[nH+]ccn1Cc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000518704661 1008398648 /nfs/dbraw/zinc/39/86/48/1008398648.db2.gz XWXHFSVZYJMWDQ-UHFFFAOYSA-N 0 1 400.460 3.764 20 5 HHBDMN CCOc1ccc([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1OCC ZINC000540368255 1008402722 /nfs/dbraw/zinc/40/27/22/1008402722.db2.gz OJAVTSYKGVWYTA-OAHLLOKOSA-N 0 1 413.474 3.632 20 5 HHBDMN CSc1ccc(C(=O)Nc2ccccc2CN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000540421927 1008426154 /nfs/dbraw/zinc/42/61/54/1008426154.db2.gz UUOWXQHHPZYLNF-UHFFFAOYSA-N 0 1 401.488 3.526 20 5 HHBDMN COC(=O)c1c(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCC2 ZINC000540477841 1008447396 /nfs/dbraw/zinc/44/73/96/1008447396.db2.gz VCQGRVJFHARZLX-LBPRGKRZSA-N 0 1 417.487 3.529 20 5 HHBDMN CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000549172737 1008746119 /nfs/dbraw/zinc/74/61/19/1008746119.db2.gz NZAFTFKSUYEGTA-UHFFFAOYSA-N 0 1 421.379 3.603 20 5 HHBDMN CC(C)([C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(F)c(F)c1)N1CCCC1 ZINC000543409324 1009003458 /nfs/dbraw/zinc/00/34/58/1009003458.db2.gz ZYQDIUIXNNCQAP-IBGZPJMESA-N 0 1 418.444 3.801 20 5 HHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c(Cl)c1 ZINC000543415021 1009007385 /nfs/dbraw/zinc/00/73/85/1009007385.db2.gz WEBGCEILTJVBJP-OAHLLOKOSA-N 0 1 401.829 3.750 20 5 HHBDMN COC(=O)C[C@H](N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000543461314 1009047802 /nfs/dbraw/zinc/04/78/02/1009047802.db2.gz YPRDQWGIRRKANA-DYVFJYSZSA-N 0 1 402.451 3.807 20 5 HHBDMN COc1ccc2oc([C@@H](C)NCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)c(C)c2c1 ZINC000543509576 1009098343 /nfs/dbraw/zinc/09/83/43/1009098343.db2.gz MMHDNBKNDYTELD-CQSZACIVSA-N 0 1 409.442 3.898 20 5 HHBDMN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c(C)c1 ZINC000543657836 1009265465 /nfs/dbraw/zinc/26/54/65/1009265465.db2.gz LSAJLKYNJWQCSB-AWEZNQCLSA-N 0 1 419.503 3.849 20 5 HHBDMN CCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000520112940 1009268962 /nfs/dbraw/zinc/26/89/62/1009268962.db2.gz HZKAUAJKRUWVKX-UHFFFAOYSA-N 0 1 401.803 3.537 20 5 HHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000543835668 1009397953 /nfs/dbraw/zinc/39/79/53/1009397953.db2.gz FVOHKLVPOFCGGJ-INIZCTEOSA-N 0 1 420.347 3.704 20 5 HHBDMN O=[N+]([O-])c1ccc(Cc2noc(-c3cc(-c4ccoc4)n[nH]3)n2)c(Br)c1 ZINC000546470786 1009491710 /nfs/dbraw/zinc/49/17/10/1009491710.db2.gz VWDCJPXSXRTJRZ-UHFFFAOYSA-N 0 1 416.191 3.981 20 5 HHBDMN COc1ccc(-c2cc(-c3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)[nH]n2)cc1OC ZINC000546491460 1009511130 /nfs/dbraw/zinc/51/11/30/1009511130.db2.gz ZDUKMCWJNDJZRW-UHFFFAOYSA-N 0 1 421.413 3.951 20 5 HHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000543921625 1009512878 /nfs/dbraw/zinc/51/28/78/1009512878.db2.gz BZRDINBRPBVZLD-MRXNPFEDSA-N 0 1 420.347 3.704 20 5 HHBDMN CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000549899368 1009520079 /nfs/dbraw/zinc/52/00/79/1009520079.db2.gz PKBNQRHVVAYIGZ-UHFFFAOYSA-N 0 1 403.504 3.879 20 5 HHBDMN CCCN(C(=O)c1cccs1)C1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549899368 1009520093 /nfs/dbraw/zinc/52/00/93/1009520093.db2.gz PKBNQRHVVAYIGZ-UHFFFAOYSA-N 0 1 403.504 3.879 20 5 HHBDMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2OC(F)F)cc1[N+](=O)[O-] ZINC000546536309 1009557272 /nfs/dbraw/zinc/55/72/72/1009557272.db2.gz XNOBAKNYSFEGKZ-UHFFFAOYSA-N 0 1 408.766 3.659 20 5 HHBDMN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000520616979 1009694197 /nfs/dbraw/zinc/69/41/97/1009694197.db2.gz GHJJJNZEEGXQNO-CQSZACIVSA-N 0 1 405.476 3.541 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000544369149 1009998257 /nfs/dbraw/zinc/99/82/57/1009998257.db2.gz HAKZMWYRISZZGF-LBPRGKRZSA-N 0 1 422.279 3.873 20 5 HHBDMN Cc1c([C@@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cnn1-c1ccc(F)cc1 ZINC000544433081 1010057074 /nfs/dbraw/zinc/05/70/74/1010057074.db2.gz MPLVYCZFXZZCQS-SPLOXXLWSA-N 0 1 423.448 3.684 20 5 HHBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000547246241 1010192562 /nfs/dbraw/zinc/19/25/62/1010192562.db2.gz UPTYZNSVVZNORO-UHFFFAOYSA-N 0 1 406.794 3.834 20 5 HHBDMN C[C@@H](NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000551004364 1010311299 /nfs/dbraw/zinc/31/12/99/1010311299.db2.gz RJUZTIZSIBUPPO-LLVKDONJSA-N 0 1 402.394 3.868 20 5 HHBDMN CCN(CC)[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000521501076 1010415832 /nfs/dbraw/zinc/41/58/32/1010415832.db2.gz XGNXUAYIKHDBHF-XJKSGUPXSA-N 0 1 409.870 3.808 20 5 HHBDMN CS(=O)(=O)c1cc(CNC/C=C\c2ccccc2[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000551232658 1010454778 /nfs/dbraw/zinc/45/47/78/1010454778.db2.gz ZLTHMGMUFLYANS-XQRVVYSFSA-N 0 1 414.405 3.820 20 5 HHBDMN C[C@H](c1nc(-c2ccccc2N2CCN(C)CC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000544965016 1010524145 /nfs/dbraw/zinc/52/41/45/1010524145.db2.gz PLZNNCZQTXDOFD-AWEZNQCLSA-N 0 1 411.437 3.688 20 5 HHBDMN COc1ccc(CNC(C)(C)c2cnn(C)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000545290684 1010717714 /nfs/dbraw/zinc/71/77/14/1010717714.db2.gz JKZLYNFMYZKICA-UHFFFAOYSA-N 0 1 410.474 3.941 20 5 HHBDMN C[C@@H](N[C@H](c1cncc(Br)c1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000551719524 1010760515 /nfs/dbraw/zinc/76/05/15/1010760515.db2.gz ZJJYONBMBXDACE-DIFFPNOSSA-N 0 1 419.279 3.820 20 5 HHBDMN CCOc1ccc([C@@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc1[N+](=O)[O-] ZINC000540749360 1011401967 /nfs/dbraw/zinc/40/19/67/1011401967.db2.gz BVLITTSGGWZMCG-BEFAXECRSA-N 0 1 412.490 3.616 20 5 HHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)C2CCC(NC(C)=O)CC2)cc1OC ZINC000541316155 1012023613 /nfs/dbraw/zinc/02/36/13/1012023613.db2.gz WAARZNLICKHCFL-VNCLNFNDSA-N 0 1 421.538 3.907 20 5 HHBDMN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N1CCc2ccccc2C1 ZINC000523528398 1012056453 /nfs/dbraw/zinc/05/64/53/1012056453.db2.gz ZHGJSIFPTWVEAM-CYBMUJFWSA-N 0 1 418.291 3.534 20 5 HHBDMN Cn1ccnc1[C@@H](NC1CCC(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552275883 1012288926 /nfs/dbraw/zinc/28/89/26/1012288926.db2.gz CUQCNTPEFLKUJM-KVWWFHCMSA-N 0 1 414.506 3.908 20 5 HHBDMN COc1ccc(C[C@@H](C)CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000552275213 1012289310 /nfs/dbraw/zinc/28/93/10/1012289310.db2.gz OGIFEYUOXYQUKP-ZHRRBRCNSA-N 0 1 424.501 3.903 20 5 HHBDMN COc1ccc(C[C@@H](C)CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000552275212 1012290103 /nfs/dbraw/zinc/29/01/03/1012290103.db2.gz OGIFEYUOXYQUKP-OPAMFIHVSA-N 0 1 424.501 3.903 20 5 HHBDMN O=[N+]([O-])c1cc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)c2c(c1)COCO2 ZINC000537042679 1012362964 /nfs/dbraw/zinc/36/29/64/1012362964.db2.gz BGECZZCXPHJOOK-UHFFFAOYSA-N 0 1 412.442 3.792 20 5 HHBDMN C[C@H](NCC(=O)Nc1ccnn1Cc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000537074668 1012416973 /nfs/dbraw/zinc/41/69/73/1012416973.db2.gz PHUNIZUMHQHKEK-AWEZNQCLSA-N 0 1 413.865 3.782 20 5 HHBDMN CCOc1ccc([C@H](C)NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000537074812 1012417686 /nfs/dbraw/zinc/41/76/86/1012417686.db2.gz WORQILURGVQXJU-CABCVRRESA-N 0 1 401.463 3.530 20 5 HHBDMN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000552407378 1012421620 /nfs/dbraw/zinc/42/16/20/1012421620.db2.gz OUEFAKRLQUCDJQ-CQSZACIVSA-N 0 1 409.870 3.589 20 5 HHBDMN COc1cc(F)c([C@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000537087801 1012442480 /nfs/dbraw/zinc/44/24/80/1012442480.db2.gz HRNRYIYRTGCNSC-ZDUSSCGKSA-N 0 1 405.426 3.739 20 5 HHBDMN Cc1ccc([C@H](C)NCC(=O)NCc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000537176600 1012584919 /nfs/dbraw/zinc/58/49/19/1012584919.db2.gz PGMMPCOYBYKKDR-ZDUSSCGKSA-N 0 1 411.380 3.769 20 5 HHBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000541737819 1012593203 /nfs/dbraw/zinc/59/32/03/1012593203.db2.gz CLLYTGQRDLQKQS-GFCCVEGCSA-N 0 1 402.394 3.738 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c1 ZINC000541801390 1012679579 /nfs/dbraw/zinc/67/95/79/1012679579.db2.gz PVXZPMQCICPKKU-UHFFFAOYSA-N 0 1 417.487 3.685 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[C@H]3C(C)C)cc2)cc1[N+](=O)[O-] ZINC000537244671 1012687763 /nfs/dbraw/zinc/68/77/63/1012687763.db2.gz QNWGTWIBFITBGM-SFHVURJKSA-N 0 1 417.487 3.575 20 5 HHBDMN COc1cc(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)cc(OC)c1OC ZINC000904672804 1071848348 /nfs/dbraw/zinc/84/83/48/1071848348.db2.gz HYBUCQISNRFMKR-UHFFFAOYSA-N 0 1 423.385 3.728 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)cc1[N+](=O)[O-] ZINC000488243811 1072160749 /nfs/dbraw/zinc/16/07/49/1072160749.db2.gz ANSXBPFQBOMNDC-UHFFFAOYSA-N 0 1 423.447 3.975 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)cc1[N+](=O)[O-] ZINC000488246215 1072161107 /nfs/dbraw/zinc/16/11/07/1072161107.db2.gz SWQHFCBUAMWMKQ-UHFFFAOYSA-N 0 1 409.420 3.667 20 5 HHBDMN CC(C)(C)c1ccc(C(=O)NCC2(CN3CCOCC3)CCCCC2)cc1[N+](=O)[O-] ZINC001126884066 1072885558 /nfs/dbraw/zinc/88/55/58/1072885558.db2.gz CDLJHJHUXCODJV-UHFFFAOYSA-N 0 1 417.550 3.905 20 5 HHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000588832558 1073295422 /nfs/dbraw/zinc/29/54/22/1073295422.db2.gz NEAIMGXPTRUYCM-UHFFFAOYSA-N 0 1 420.256 3.588 20 5 HHBDMN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Br)c1 ZINC000590193389 1073639901 /nfs/dbraw/zinc/63/99/01/1073639901.db2.gz QIILEISVUSKMAS-LLVKDONJSA-N 0 1 410.243 3.810 20 5 HHBDMN COc1ccc(CN[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000555605690 1073670505 /nfs/dbraw/zinc/67/05/05/1073670505.db2.gz JUILNRCIFJHEJS-KDOFPFPSSA-N 0 1 401.438 3.584 20 5 HHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000555847646 1073898353 /nfs/dbraw/zinc/89/83/53/1073898353.db2.gz WEDLQHIRPZKTAX-QGZVFWFLSA-N 0 1 424.270 3.838 20 5 HHBDMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)nc(C)c2[N+](=O)[O-])CC3)cs1 ZINC001164694358 719803480 /nfs/dbraw/zinc/80/34/80/719803480.db2.gz XRBYWZFGSAPKEU-UHFFFAOYSA-N 0 1 422.942 3.747 20 5 HHBDMN CCOc1nc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC001164994899 722205327 /nfs/dbraw/zinc/20/53/27/722205327.db2.gz JMUVVDXNBKULFX-NRFANRHFSA-N 0 1 400.454 3.773 20 5 HHBDMN COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000301605040 970998213 /nfs/dbraw/zinc/99/82/13/970998213.db2.gz KKFARANOSAJUHV-UHFFFAOYSA-N 0 1 424.438 3.948 20 5 HHBDMN CNC(=O)c1ccc(N[C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000302025028 971154338 /nfs/dbraw/zinc/15/43/38/971154338.db2.gz KDGBVDKIHJLTNI-ICSRJNTNSA-N 0 1 418.444 3.869 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(c4nc5ccccc5o4)CC3)o2)c1 ZINC000303318990 971626473 /nfs/dbraw/zinc/62/64/73/971626473.db2.gz USCHHNHBLBGHKC-UHFFFAOYSA-N 0 1 419.441 3.756 20 5 HHBDMN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000553183833 1013142622 /nfs/dbraw/zinc/14/26/22/1013142622.db2.gz NGZNVHNONNACOS-GTNSWQLSSA-N 0 1 410.348 3.921 20 5 HHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccccc3OCc3ccccn3)C2)nc1 ZINC000537635912 1013191530 /nfs/dbraw/zinc/19/15/30/1013191530.db2.gz FWAJQPGUTWWWDF-SFHVURJKSA-N 0 1 405.458 3.650 20 5 HHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000005089714 960650733 /nfs/dbraw/zinc/65/07/33/960650733.db2.gz HGKQDYWLXDLLHF-UHFFFAOYSA-N 0 1 418.881 3.651 20 5 HHBDMN COc1cc(F)c([C@H](C)NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000553333425 1013280294 /nfs/dbraw/zinc/28/02/94/1013280294.db2.gz UVABSUKHBMZXOW-ZDUSSCGKSA-N 0 1 405.426 3.739 20 5 HHBDMN COc1ccc([C@H](CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000010447132 961824391 /nfs/dbraw/zinc/82/43/91/961824391.db2.gz XXNFEZCFKJEGOY-FQEVSTJZSA-N 0 1 413.474 3.569 20 5 HHBDMN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000537752443 1013315164 /nfs/dbraw/zinc/31/51/64/1013315164.db2.gz PSELLETZKWBHTE-UHFFFAOYSA-N 0 1 418.349 3.509 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 ZINC000014870936 962594291 /nfs/dbraw/zinc/59/42/91/962594291.db2.gz YIWIUMNKGWXLKM-UHFFFAOYSA-N 0 1 412.349 3.600 20 5 HHBDMN CN1CCN(c2ccc(Cl)cc2NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000016002783 962913330 /nfs/dbraw/zinc/91/33/30/962913330.db2.gz DPVUQHLXVMBXSE-UHFFFAOYSA-N 0 1 420.922 3.731 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000016642517 963080295 /nfs/dbraw/zinc/08/02/95/963080295.db2.gz VOANFBACXFZWSO-CQSZACIVSA-N 0 1 417.487 3.576 20 5 HHBDMN Cc1[nH]c(SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)nc1Cc1ccccc1 ZINC000016813379 963114356 /nfs/dbraw/zinc/11/43/56/963114356.db2.gz YKLRPPRKHYIYLU-UHFFFAOYSA-N 0 1 408.483 3.899 20 5 HHBDMN O=[N+]([O-])c1cc(CN2CCN(Cc3cccc4ccccc43)CC2)c2c(c1)COCO2 ZINC000017291007 963178423 /nfs/dbraw/zinc/17/84/23/963178423.db2.gz HYZKBULUWFKGEM-UHFFFAOYSA-N 0 1 419.481 3.932 20 5 HHBDMN COc1ccc([C@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000017911961 963241170 /nfs/dbraw/zinc/24/11/70/963241170.db2.gz PFNJRYSSGHDJEA-FQEVSTJZSA-N 0 1 415.515 3.892 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000023229078 963786684 /nfs/dbraw/zinc/78/66/84/963786684.db2.gz QQFSRKDRMLTEBV-MRXNPFEDSA-N 0 1 414.531 3.856 20 5 HHBDMN Cc1c(Br)c(NC2CCN(Cc3cccnc3)CC2)ncc1[N+](=O)[O-] ZINC000553567446 1013463298 /nfs/dbraw/zinc/46/32/98/1013463298.db2.gz CZWDZHPBBJLTJO-UHFFFAOYSA-N 0 1 406.284 3.532 20 5 HHBDMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000542529014 1013470908 /nfs/dbraw/zinc/47/09/08/1013470908.db2.gz JZGRPEODUWYLKV-ZYHUDNBSSA-N 0 1 413.400 3.648 20 5 HHBDMN COc1cc(CN2CCN(CCc3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000025355973 964250293 /nfs/dbraw/zinc/25/02/93/964250293.db2.gz JCMKCSGWIVWJCT-UHFFFAOYSA-N 0 1 421.444 3.565 20 5 HHBDMN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132795 964471317 /nfs/dbraw/zinc/47/13/17/964471317.db2.gz ZVINKYFNRIDHCI-WMZHIEFXSA-N 0 1 409.486 3.584 20 5 HHBDMN COc1ccc(NC(=O)CCN[C@H](c2ccccc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000026230659 964495709 /nfs/dbraw/zinc/49/57/09/964495709.db2.gz KKUQNYXPWPNNEJ-JOCHJYFZSA-N 0 1 406.442 3.706 20 5 HHBDMN CC[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000028490562 965117066 /nfs/dbraw/zinc/11/70/66/965117066.db2.gz VEDOVIHRXHAMKS-KRWDZBQOSA-N 0 1 417.487 3.800 20 5 HHBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000537990270 1013565110 /nfs/dbraw/zinc/56/51/10/1013565110.db2.gz HRIOLZGNDFKTPD-INIZCTEOSA-N 0 1 403.504 3.620 20 5 HHBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553723752 1013572006 /nfs/dbraw/zinc/57/20/06/1013572006.db2.gz YFNBFBRCQQRHJB-GTNSWQLSSA-N 0 1 410.348 3.921 20 5 HHBDMN O=C(CCN1CCN(Cc2ccc(F)cc2Cl)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000030154970 965622907 /nfs/dbraw/zinc/62/29/07/965622907.db2.gz RIMUDZGIMBGNNU-UHFFFAOYSA-N 0 1 420.872 3.534 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NCC(F)(F)F ZINC000058494356 965755271 /nfs/dbraw/zinc/75/52/71/965755271.db2.gz WIQWVEYKKJPPPE-UHFFFAOYSA-N 0 1 403.382 3.932 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1-c1n[nH]c(C(C)C)n1 ZINC000059779029 966030720 /nfs/dbraw/zinc/03/07/20/966030720.db2.gz QMRODADNWRMPSG-UHFFFAOYSA-N 0 1 401.448 3.613 20 5 HHBDMN CCOc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)cc1[N+](=O)[O-] ZINC000032516471 966276953 /nfs/dbraw/zinc/27/69/53/966276953.db2.gz VRHXQWSMHBMGDE-FQEVSTJZSA-N 0 1 413.474 3.569 20 5 HHBDMN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000032627752 966296428 /nfs/dbraw/zinc/29/64/28/966296428.db2.gz BEBQZKQPRFXQMJ-UHFFFAOYSA-N 0 1 411.867 3.531 20 5 HHBDMN CCOc1cc(CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)ccc1OC(F)F ZINC000033081160 966366769 /nfs/dbraw/zinc/36/67/69/966366769.db2.gz HLBSOPFOYVKHKH-UHFFFAOYSA-N 0 1 420.372 3.743 20 5 HHBDMN COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])cc1OC ZINC000061233681 966405250 /nfs/dbraw/zinc/40/52/50/966405250.db2.gz YBRGNJXZOCRUIY-MRXNPFEDSA-N 0 1 410.430 3.774 20 5 HHBDMN COc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2C)cc1[N+](=O)[O-] ZINC000061308787 966427658 /nfs/dbraw/zinc/42/76/58/966427658.db2.gz RBDAVVQMJWCAPW-UHFFFAOYSA-N 0 1 401.488 3.713 20 5 HHBDMN COc1cccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000538128243 1013690444 /nfs/dbraw/zinc/69/04/44/1013690444.db2.gz IICFGWVIBDCBBO-NSHDSACASA-N 0 1 408.252 3.655 20 5 HHBDMN Cc1ccc([C@@H](CNc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000064114095 967051323 /nfs/dbraw/zinc/05/13/23/967051323.db2.gz ISNDKDBIXGVTPM-HXUWFJFHSA-N 0 1 407.474 3.583 20 5 HHBDMN COc1ccc([C@@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1Br ZINC000045296310 967408841 /nfs/dbraw/zinc/40/88/41/967408841.db2.gz BXWLRDGHBSXHSV-SECBINFHSA-N 0 1 419.235 3.733 20 5 HHBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000065511751 967500019 /nfs/dbraw/zinc/50/00/19/967500019.db2.gz LQCZRXUGFPAUAI-HXUWFJFHSA-N 0 1 416.909 3.927 20 5 HHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000542882786 1013730982 /nfs/dbraw/zinc/73/09/82/1013730982.db2.gz HLEWQRRDHPGCIM-HOCLYGCPSA-N 0 1 417.510 3.834 20 5 HHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000542882785 1013731125 /nfs/dbraw/zinc/73/11/25/1013731125.db2.gz HLEWQRRDHPGCIM-GOEBONIOSA-N 0 1 417.510 3.834 20 5 HHBDMN CC(=O)Nc1ccc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000538178072 1013737751 /nfs/dbraw/zinc/73/77/51/1013737751.db2.gz PMQUWKHKLGDWGV-NSHDSACASA-N 0 1 424.379 3.861 20 5 HHBDMN COCCSc1ccc([C@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000538204635 1013759262 /nfs/dbraw/zinc/75/92/62/1013759262.db2.gz IMMCMGUNJCJGLL-HNNXBMFYSA-N 0 1 415.515 3.573 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](COc1ccccc1)c1ccccc1 ZINC000538216481 1013768223 /nfs/dbraw/zinc/76/82/23/1013768223.db2.gz CQGAKYIHTDZOEL-NRFANRHFSA-N 0 1 421.453 3.952 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(COCCOC(C)C)c1 ZINC000065832801 968669888 /nfs/dbraw/zinc/66/98/88/968669888.db2.gz FSKYHFDBTBFXOU-UHFFFAOYSA-N 0 1 408.476 3.646 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cc1SC ZINC000097548873 969157988 /nfs/dbraw/zinc/15/79/88/969157988.db2.gz DIWWVMFTJAPIKX-INIZCTEOSA-N 0 1 419.503 3.794 20 5 HHBDMN CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000108708721 969413180 /nfs/dbraw/zinc/41/31/80/969413180.db2.gz IOHFFUPGCCZRBX-PKOBYXMFSA-N 0 1 417.531 3.749 20 5 HHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000138641771 970005411 /nfs/dbraw/zinc/00/54/11/970005411.db2.gz ZJMXYBDRQZNMPH-UHFFFAOYSA-N 0 1 412.515 3.970 20 5 HHBDMN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(O)c(Cl)c1 ZINC000140263760 970070828 /nfs/dbraw/zinc/07/08/28/970070828.db2.gz WWUCPGVBWXXKPX-UHFFFAOYSA-N 0 1 403.744 3.815 20 5 HHBDMN CC[C@H](C)NC(=O)c1cccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000236997857 970204276 /nfs/dbraw/zinc/20/42/76/970204276.db2.gz VPQAYEDNFJCGHL-INIZCTEOSA-N 0 1 421.501 3.813 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)N2CCCC2)cc1 ZINC000248252988 970523489 /nfs/dbraw/zinc/52/34/89/970523489.db2.gz QMZMWNKJRIVONB-LJQANCHMSA-N 0 1 403.866 3.824 20 5 HHBDMN CNC(=O)c1ccc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000301083388 970740098 /nfs/dbraw/zinc/74/00/98/970740098.db2.gz KVZCDGGFTFKBJE-IBGZPJMESA-N 0 1 402.882 3.857 20 5 HHBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000324211157 972719670 /nfs/dbraw/zinc/71/96/70/972719670.db2.gz CYSWNSXPVWPGKQ-SECBINFHSA-N 0 1 403.229 3.536 20 5 HHBDMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000410318788 973864052 /nfs/dbraw/zinc/86/40/52/973864052.db2.gz ZIVCHQLLSMDUAY-AWEZNQCLSA-N 0 1 418.444 3.506 20 5 HHBDMN COc1ccc(CN2CCc3cc[nH]c(=O)c3C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426370646 974418923 /nfs/dbraw/zinc/41/89/23/974418923.db2.gz IJCOWXVFACRIEA-UHFFFAOYSA-N 0 1 421.453 3.841 20 5 HHBDMN O=C([O-])[C@@H](C[NH+]1CCCCC1)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000426716210 974612205 /nfs/dbraw/zinc/61/22/05/974612205.db2.gz LDTQEENKBTUILA-GOSISDBHSA-N 0 1 417.437 3.555 20 5 HHBDMN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000426725424 974617801 /nfs/dbraw/zinc/61/78/01/974617801.db2.gz BXEFVPBEKJHXJD-GOSISDBHSA-N 0 1 422.466 3.985 20 5 HHBDMN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000426732494 974621818 /nfs/dbraw/zinc/62/18/18/974621818.db2.gz TXJXWHMQBAYZMN-SFHVURJKSA-N 0 1 422.466 3.985 20 5 HHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000427477118 975138698 /nfs/dbraw/zinc/13/86/98/975138698.db2.gz VMKHARCBXTYSOS-LBPRGKRZSA-N 0 1 411.487 3.826 20 5 HHBDMN COc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc2cccnc21 ZINC000427628474 975215597 /nfs/dbraw/zinc/21/55/97/975215597.db2.gz HVEDTTXOQZBFDT-UHFFFAOYSA-N 0 1 407.835 3.914 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000427719912 975251568 /nfs/dbraw/zinc/25/15/68/975251568.db2.gz RDSBAPHOWBYOEE-HNNXBMFYSA-N 0 1 413.478 3.789 20 5 HHBDMN COc1cc(CNc2ccc(C(=O)Nc3nccs3)cc2)cc([N+](=O)[O-])c1O ZINC000428336762 975647198 /nfs/dbraw/zinc/64/71/98/975647198.db2.gz DUODVSLRTPRFRQ-UHFFFAOYSA-N 0 1 400.416 3.630 20 5 HHBDMN C/C=C\c1ccc(OC[C@@H](O)CNC(C)(C)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000429259215 976546444 /nfs/dbraw/zinc/54/64/44/976546444.db2.gz JMVBNOFNATYMDI-AFCDSYGPSA-N 0 1 400.475 3.901 20 5 HHBDMN COC(=O)COc1ccc(CN2CCC(c3ccc(F)cc3C)CC2)cc1[N+](=O)[O-] ZINC000430084743 977313318 /nfs/dbraw/zinc/31/33/18/977313318.db2.gz LSOQTGYZIWQDMM-UHFFFAOYSA-N 0 1 416.449 3.974 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000430367685 977505081 /nfs/dbraw/zinc/50/50/81/977505081.db2.gz CESDOFWHZBSSKF-UHFFFAOYSA-N 0 1 412.471 3.904 20 5 HHBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000430424627 977537538 /nfs/dbraw/zinc/53/75/38/977537538.db2.gz ITMNXGSFLUEOPT-NVXWUHKLSA-N 0 1 421.240 3.508 20 5 HHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431071410 978002640 /nfs/dbraw/zinc/00/26/40/978002640.db2.gz PHYKWVIISJELSH-UHFFFAOYSA-N 0 1 411.506 3.712 20 5 HHBDMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431482485 978324188 /nfs/dbraw/zinc/32/41/88/978324188.db2.gz GIHIALZHKKCRAR-UHFFFAOYSA-N 0 1 419.235 3.529 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C(F)F)c(C(F)(F)F)c1 ZINC000431635895 978399096 /nfs/dbraw/zinc/39/90/96/978399096.db2.gz NHXMMGJPOWYHRJ-ZDUSSCGKSA-N 0 1 410.320 3.898 20 5 HHBDMN CC(C)(C)NC(=O)CN1CCC(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000431802755 978525781 /nfs/dbraw/zinc/52/57/81/978525781.db2.gz YPCRXGOFNXUCMU-UHFFFAOYSA-N 0 1 416.444 3.652 20 5 HHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CO)(c2ccccc2)CC1 ZINC000433043300 979050144 /nfs/dbraw/zinc/05/01/44/979050144.db2.gz IEYJPNOGBWOYSI-MRXNPFEDSA-N 0 1 408.458 3.732 20 5 HHBDMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433152990 979102319 /nfs/dbraw/zinc/10/23/19/979102319.db2.gz UNGFEBYCGCNYTR-YJYMSZOUSA-N 0 1 403.504 3.576 20 5 HHBDMN C[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000433165965 979111208 /nfs/dbraw/zinc/11/12/08/979111208.db2.gz WLWRVKCNAZTOIE-VBKZILBWSA-N 0 1 417.531 3.918 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1cc2ccccc2[nH]1 ZINC000433425859 979294504 /nfs/dbraw/zinc/29/45/04/979294504.db2.gz UATUNGXLCNAAOO-UHFFFAOYSA-N 0 1 414.270 3.904 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000433673892 979473636 /nfs/dbraw/zinc/47/36/36/979473636.db2.gz UFCIRENDWNZZRT-CYBMUJFWSA-N 0 1 405.886 3.614 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000433939800 979698742 /nfs/dbraw/zinc/69/87/42/979698742.db2.gz HWUJGDULEMAXLD-CYBMUJFWSA-N 0 1 413.261 3.962 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2cnccn2)c1[N+](=O)[O-] ZINC000434026552 979768303 /nfs/dbraw/zinc/76/83/03/979768303.db2.gz TXQQTOCQANFTQX-KRWDZBQOSA-N 0 1 414.853 3.746 20 5 HHBDMN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(c2cnc[nH]2)CC1 ZINC000434284620 980044693 /nfs/dbraw/zinc/04/46/93/980044693.db2.gz BTOOBKVGTKMNQZ-UHFFFAOYSA-N 0 1 411.384 3.545 20 5 HHBDMN COC(=O)c1ccc(O)c(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000436505148 981407048 /nfs/dbraw/zinc/40/70/48/981407048.db2.gz PDYXNRRDAYTQJD-UHFFFAOYSA-N 0 1 422.393 3.918 20 5 HHBDMN C[N@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436729995 981535685 /nfs/dbraw/zinc/53/56/85/981535685.db2.gz DCJLCKLZIWZGTM-SJCJKPOMSA-N 0 1 407.829 3.516 20 5 HHBDMN CC(=O)c1ccc(O)c(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000436867821 981597347 /nfs/dbraw/zinc/59/73/47/981597347.db2.gz DVXGLEPXVMDRQQ-UHFFFAOYSA-N 0 1 411.336 3.963 20 5 HHBDMN Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436907298 981613187 /nfs/dbraw/zinc/61/31/87/981613187.db2.gz XVELYNXMANBJFB-KRWDZBQOSA-N 0 1 421.457 3.505 20 5 HHBDMN COc1ccc(-c2cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)n[nH]2)cc1OC ZINC000437112653 981767902 /nfs/dbraw/zinc/76/79/02/981767902.db2.gz IKCTXHWGSCCGED-UHFFFAOYSA-N 0 1 422.441 3.807 20 5 HHBDMN COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N(C)C)c1 ZINC000437177849 981833602 /nfs/dbraw/zinc/83/36/02/981833602.db2.gz USVDJTUIRSZXDJ-KRWDZBQOSA-N 0 1 411.380 3.655 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000437544860 982174565 /nfs/dbraw/zinc/17/45/65/982174565.db2.gz FSSXCGFDPPSLDU-UHFFFAOYSA-N 0 1 423.517 3.933 20 5 HHBDMN CCc1nnc(-c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3CC)cc2)o1 ZINC000438712847 983020909 /nfs/dbraw/zinc/02/09/09/983020909.db2.gz BTAAMTAGTBXCLG-UHFFFAOYSA-N 0 1 402.432 3.570 20 5 HHBDMN COC(=O)c1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000438729014 983029234 /nfs/dbraw/zinc/02/92/34/983029234.db2.gz ZHOCTCXLIYDXCX-UHFFFAOYSA-N 0 1 412.423 3.849 20 5 HHBDMN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cc2)n1 ZINC000461559260 983195488 /nfs/dbraw/zinc/19/54/88/983195488.db2.gz PXNQBGUYBOBASQ-AWEZNQCLSA-N 0 1 404.430 3.765 20 5 HHBDMN Cc1c(Br)cccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000439185324 983297267 /nfs/dbraw/zinc/29/72/67/983297267.db2.gz DNMNCILGBSZFSM-UHFFFAOYSA-N 0 1 402.208 3.703 20 5 HHBDMN COc1ccc(OCCN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000441162574 984096823 /nfs/dbraw/zinc/09/68/23/984096823.db2.gz CGEQWVRJSCUOJL-QGZVFWFLSA-N 0 1 400.431 3.591 20 5 HHBDMN Cc1ccc([C@H](Cn2ccnc2)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000441379778 984220248 /nfs/dbraw/zinc/22/02/48/984220248.db2.gz DWTUYGKAMCMHCS-UWJYYQICSA-N 0 1 407.474 3.766 20 5 HHBDMN Cc1ccc([C@H](Cn2ccnc2)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441384348 984222979 /nfs/dbraw/zinc/22/29/79/984222979.db2.gz NQQCDILROAXZBB-UWJYYQICSA-N 0 1 407.474 3.766 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441539461 984311478 /nfs/dbraw/zinc/31/14/78/984311478.db2.gz IJOAITUJGDKDSJ-MRXNPFEDSA-N 0 1 420.878 3.959 20 5 HHBDMN Cc1cc(C)nc(Sc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000442335259 984839624 /nfs/dbraw/zinc/83/96/24/984839624.db2.gz NZOWDPKYMGERTF-UHFFFAOYSA-N 0 1 416.484 3.954 20 5 HHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(F)c2)c1 ZINC000442337536 984842524 /nfs/dbraw/zinc/84/25/24/984842524.db2.gz UPKOKJJVXGZVFN-UHFFFAOYSA-N 0 1 403.391 3.509 20 5 HHBDMN O=C(C[C@H]1C=CCC1)Nc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442353852 984859546 /nfs/dbraw/zinc/85/95/46/984859546.db2.gz CXWZIOLHNQNTEB-AWEZNQCLSA-N 0 1 401.444 3.690 20 5 HHBDMN Cc1ccccc1OCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462518233 985468089 /nfs/dbraw/zinc/46/80/89/985468089.db2.gz PHXKJDWNLNVJSC-UHFFFAOYSA-N 0 1 405.259 3.567 20 5 HHBDMN COCc1cccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000462529417 985478465 /nfs/dbraw/zinc/47/84/65/985478465.db2.gz OUFHSOHBPJTGMH-UHFFFAOYSA-N 0 1 405.259 3.527 20 5 HHBDMN COc1cccc([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000462547168 985495071 /nfs/dbraw/zinc/49/50/71/985495071.db2.gz IMGNDWJCYYPYEN-SECBINFHSA-N 0 1 405.259 3.950 20 5 HHBDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000467978954 985623579 /nfs/dbraw/zinc/62/35/79/985623579.db2.gz AWZCNVBLQVHPCZ-UHFFFAOYSA-N 0 1 420.513 3.675 20 5 HHBDMN O=[N+]([O-])c1ccccc1CCNCc1ncc(Br)cc1Br ZINC000468007272 985659107 /nfs/dbraw/zinc/65/91/07/985659107.db2.gz WRIFKJWCQSNVNT-UHFFFAOYSA-N 0 1 415.085 3.847 20 5 HHBDMN CN(C)c1nc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2[nH]1 ZINC000468020827 985674505 /nfs/dbraw/zinc/67/45/05/985674505.db2.gz QJAAEAGOSXIKNF-UHFFFAOYSA-N 0 1 411.465 3.736 20 5 HHBDMN COc1ccc(OC)c(NC(=O)C[C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000468037722 985694753 /nfs/dbraw/zinc/69/47/53/985694753.db2.gz JTUMCGVBFOTZIY-GFCCVEGCSA-N 0 1 407.854 3.772 20 5 HHBDMN CCCn1cc(CN2CCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)cn1 ZINC000462824189 985748537 /nfs/dbraw/zinc/74/85/37/985748537.db2.gz CGUABZXFBRKDEG-UHFFFAOYSA-N 0 1 409.437 3.515 20 5 HHBDMN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000443780190 985986029 /nfs/dbraw/zinc/98/60/29/985986029.db2.gz HZYSJITZCPFRFU-KRWDZBQOSA-N 0 1 420.878 3.791 20 5 HHBDMN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000463209586 986181413 /nfs/dbraw/zinc/18/14/13/986181413.db2.gz KSSXPZDWKWNWCJ-UJNZZBMASA-N 0 1 409.914 3.838 20 5 HHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(=O)Nc1cccc(Br)c1 ZINC000468598134 986308918 /nfs/dbraw/zinc/30/89/18/986308918.db2.gz OQOWRTNOIWVNQK-MDWZMJQESA-N 0 1 404.264 3.989 20 5 HHBDMN C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000463411934 986381248 /nfs/dbraw/zinc/38/12/48/986381248.db2.gz HAKATCYJNPWPCP-ZDUSSCGKSA-N 0 1 407.392 3.790 20 5 HHBDMN COc1cc(CSc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)c([N+](=O)[O-])cc1F ZINC000463436313 986412506 /nfs/dbraw/zinc/41/25/06/986412506.db2.gz YGOHZCDMZMDQDK-UHFFFAOYSA-N 0 1 418.406 3.591 20 5 HHBDMN Cc1cccc2nc(CNC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)[nH]c21 ZINC000444284517 986473193 /nfs/dbraw/zinc/47/31/93/986473193.db2.gz FDVJAZFQJVVOEN-UHFFFAOYSA-N 0 1 400.413 3.935 20 5 HHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000468826073 986535430 /nfs/dbraw/zinc/53/54/30/986535430.db2.gz DPVOHJKNQKSFDI-NEPJUHHUSA-N 0 1 403.320 3.539 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000468845125 986555009 /nfs/dbraw/zinc/55/50/09/986555009.db2.gz GJONNFAHGVJAAL-UHFFFAOYSA-N 0 1 408.766 3.659 20 5 HHBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000468908506 986615397 /nfs/dbraw/zinc/61/53/97/986615397.db2.gz GTLVROTZKSWNFT-NSHDSACASA-N 0 1 412.414 3.701 20 5 HHBDMN CCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1Cl ZINC000468952835 986657209 /nfs/dbraw/zinc/65/72/09/986657209.db2.gz MUAMDLSRCFTUNQ-UHFFFAOYSA-N 0 1 400.840 3.846 20 5 HHBDMN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000444544387 986733904 /nfs/dbraw/zinc/73/39/04/986733904.db2.gz KJRNYMSYKSTUFW-UHFFFAOYSA-N 0 1 415.446 3.567 20 5 HHBDMN CC(C)Cn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1C(C)C ZINC000463782096 986772745 /nfs/dbraw/zinc/77/27/45/986772745.db2.gz NQYRZUOXEQKJED-UHFFFAOYSA-N 0 1 417.491 3.920 20 5 HHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cccc21 ZINC000469071350 986784167 /nfs/dbraw/zinc/78/41/67/986784167.db2.gz PRRQRIUKGNEZIF-INIZCTEOSA-N 0 1 420.263 3.995 20 5 HHBDMN CCOc1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c2ncccc12 ZINC000463799624 986791825 /nfs/dbraw/zinc/79/18/25/986791825.db2.gz RBEAJMSWLVKHSC-UHFFFAOYSA-N 0 1 401.444 3.526 20 5 HHBDMN O=C(c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-])N1CCc2[nH]nnc2C1 ZINC000469267879 986986892 /nfs/dbraw/zinc/98/68/92/986986892.db2.gz PKBAKSBVOIAELX-UHFFFAOYSA-N 0 1 415.862 3.716 20 5 HHBDMN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000469487207 987167855 /nfs/dbraw/zinc/16/78/55/987167855.db2.gz DUUBPQSNJIQGKL-KRWDZBQOSA-N 0 1 411.380 3.655 20 5 HHBDMN CCOc1cc(-c2noc(-c3cc(C(=O)OC)cc([N+](=O)[O-])c3)n2)cc(Cl)c1O ZINC000445407702 987466810 /nfs/dbraw/zinc/46/68/10/987466810.db2.gz RPMKCRZLGZFGDK-UHFFFAOYSA-N 0 1 419.777 3.856 20 5 HHBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464557607 988734882 /nfs/dbraw/zinc/73/48/82/988734882.db2.gz WCFDVKFRWCZPGY-UHFFFAOYSA-N 0 1 407.249 3.964 20 5 HHBDMN Cc1ccc2nc(CNC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000465201200 989545544 /nfs/dbraw/zinc/54/55/44/989545544.db2.gz TVZOVNXXXPKSGX-HNNXBMFYSA-N 0 1 407.474 3.946 20 5 HHBDMN CCc1ccc(-c2noc([C@@H](C)NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])n2)cc1 ZINC000471873709 990045393 /nfs/dbraw/zinc/04/53/93/990045393.db2.gz ZXTSHOSSXSTZCI-CYBMUJFWSA-N 0 1 416.459 3.555 20 5 HHBDMN COc1ccc(CNCc2ccc(I)c(C)c2)cc1[N+](=O)[O-] ZINC000466365950 991637847 /nfs/dbraw/zinc/63/78/47/991637847.db2.gz YUJRXLSKPSOVQN-UHFFFAOYSA-N 0 1 412.227 3.806 20 5 HHBDMN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1 ZINC000466478339 991770773 /nfs/dbraw/zinc/77/07/73/991770773.db2.gz BOAPKPYFSBHQNU-UHFFFAOYSA-N 0 1 406.851 3.797 20 5 HHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000467227392 992550774 /nfs/dbraw/zinc/55/07/74/992550774.db2.gz WBIFYBGALKGFCT-CQSZACIVSA-N 0 1 417.897 3.668 20 5 HHBDMN COc1ccc(-c2cncc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)c2)cc1 ZINC000467541019 992820415 /nfs/dbraw/zinc/82/04/15/992820415.db2.gz DCIAPGWNYYLJCW-UHFFFAOYSA-N 0 1 416.397 3.703 20 5 HHBDMN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2cn[nH]c2cc1C ZINC000481294887 994110058 /nfs/dbraw/zinc/11/00/58/994110058.db2.gz MODDWZCCMULAGT-UHFFFAOYSA-N 0 1 414.443 3.687 20 5 HHBDMN Cc1c([C@@H](C)NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000481581334 994420618 /nfs/dbraw/zinc/42/06/18/994420618.db2.gz LWPFVXRWHKLROP-MRXNPFEDSA-N 0 1 405.520 3.783 20 5 HHBDMN COc1ccc(CN[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000473670351 994558875 /nfs/dbraw/zinc/55/88/75/994558875.db2.gz KOQMECOMVAYONA-CQSZACIVSA-N 0 1 410.257 3.805 20 5 HHBDMN O=C(NCCCCc1nc(-c2cccnc2)cs1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000473912713 994877998 /nfs/dbraw/zinc/87/79/98/994877998.db2.gz RDXYXMJJBGUWNU-UHFFFAOYSA-N 0 1 422.470 3.742 20 5 HHBDMN COc1cccc([C@H]2[C@H](NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CCN2C2CC2)c1 ZINC000482017343 994926568 /nfs/dbraw/zinc/92/65/68/994926568.db2.gz VKHHMHRVQNVEBA-IRLDBZIGSA-N 0 1 420.469 3.793 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1SC ZINC000482557964 995565174 /nfs/dbraw/zinc/56/51/74/995565174.db2.gz YURGRPNGSXMVCE-CQSZACIVSA-N 0 1 415.515 3.502 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccc(Br)cn1 ZINC000482963101 995884619 /nfs/dbraw/zinc/88/46/19/995884619.db2.gz RCXPYYBZOLRZMV-LBPRGKRZSA-N 0 1 407.268 3.740 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1SC ZINC000483470791 996200859 /nfs/dbraw/zinc/20/08/59/996200859.db2.gz PFRJYCBRBLSAIE-ZBFHGGJFSA-N 0 1 415.515 3.891 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000475559141 996218367 /nfs/dbraw/zinc/21/83/67/996218367.db2.gz NHXBYNXILZEVIM-UHFFFAOYSA-N 0 1 411.506 3.545 20 5 HHBDMN CC[C@@H]1CN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@]2(CCOC2)O1 ZINC000475617828 996252043 /nfs/dbraw/zinc/25/20/43/996252043.db2.gz MWVVJSVJURHNHQ-VFNWGFHPSA-N 0 1 402.447 3.633 20 5 HHBDMN CCOC(=O)C1(COC)CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000475618218 996252200 /nfs/dbraw/zinc/25/22/00/996252200.db2.gz AGFGWCDWOJGTKR-UHFFFAOYSA-N 0 1 402.447 3.647 20 5 HHBDMN CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000476235508 996696045 /nfs/dbraw/zinc/69/60/45/996696045.db2.gz LKWDUSGBEKAUGB-UHFFFAOYSA-N 0 1 424.457 3.628 20 5 HHBDMN COc1cccc(-c2nsc(NC(O)=C(C)Sc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000476361718 996790878 /nfs/dbraw/zinc/79/08/78/996790878.db2.gz HADBMCGKYBRDTB-LLVKDONJSA-N 0 1 416.484 3.663 20 5 HHBDMN C[C@H]1CCCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000476827793 997388854 /nfs/dbraw/zinc/38/88/54/997388854.db2.gz WUWXHWCYGXOMDQ-HNNXBMFYSA-N 0 1 417.487 3.658 20 5 HHBDMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000485133425 997517621 /nfs/dbraw/zinc/51/76/21/997517621.db2.gz MGGFROWESFSMCO-UHFFFAOYSA-N 0 1 415.369 3.564 20 5 HHBDMN CCc1nc([C@H](C)NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477298319 997985165 /nfs/dbraw/zinc/98/51/65/997985165.db2.gz PCWMCIMORVPRAJ-JTQLQIEISA-N 0 1 418.504 3.682 20 5 HHBDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477311488 997999386 /nfs/dbraw/zinc/99/93/86/997999386.db2.gz UQKOBXDIAUYEIX-QLFBSQMISA-N 0 1 414.510 3.810 20 5 HHBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477311487 997999690 /nfs/dbraw/zinc/99/96/90/997999690.db2.gz UQKOBXDIAUYEIX-KFWWJZLASA-N 0 1 414.510 3.810 20 5 HHBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cccc(SC)c2[N+](=O)[O-])[nH]1 ZINC000485713554 998181566 /nfs/dbraw/zinc/18/15/66/998181566.db2.gz WOFUIQQFBKFWOW-UHFFFAOYSA-N 0 1 406.464 3.811 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)ccc1[N+](=O)[O-] ZINC000477469832 998186785 /nfs/dbraw/zinc/18/67/85/998186785.db2.gz WZHGSIHCMZPKDN-UHFFFAOYSA-N 0 1 403.416 3.676 20 5 HHBDMN COc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)N2CCCCC2)cc1 ZINC000477475986 998196366 /nfs/dbraw/zinc/19/63/66/998196366.db2.gz DGMUQLPCZXOCDR-NRFANRHFSA-N 0 1 415.465 3.628 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc2ncsc2c1 ZINC000485815569 998283295 /nfs/dbraw/zinc/28/32/95/998283295.db2.gz CQWBBFCDFHMDPG-RYUDHWBXSA-N 0 1 400.460 3.891 20 5 HHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000486471273 998784812 /nfs/dbraw/zinc/78/48/12/998784812.db2.gz JFMAQYCZIFXMJE-ZDUSSCGKSA-N 0 1 422.407 3.964 20 5 HHBDMN Cc1ccc(Br)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000479358078 999402037 /nfs/dbraw/zinc/40/20/37/999402037.db2.gz IFIMYGNGUAMDGS-UHFFFAOYSA-N 0 1 402.208 3.703 20 5 HHBDMN COc1cccc([C@@H]2[C@H](NC(=O)NCc3cccc([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000479751540 999571739 /nfs/dbraw/zinc/57/17/39/999571739.db2.gz TXSSWLAKZFZZMJ-IFMALSPDSA-N 0 1 424.501 3.689 20 5 HHBDMN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000479766584 999580412 /nfs/dbraw/zinc/58/04/12/999580412.db2.gz QAUMGVPBTDRKCN-JLZZUVOBSA-N 0 1 414.462 3.586 20 5 HHBDMN C[C@@H]1CCCN(c2ccc(C(=O)NCc3nc4ccc(F)cc4[nH]3)cc2[N+](=O)[O-])C1 ZINC000479961710 999665186 /nfs/dbraw/zinc/66/51/86/999665186.db2.gz VPEUEHCVQWJQTO-CYBMUJFWSA-N 0 1 411.437 3.777 20 5 HHBDMN Cc1c(CNC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000480065850 999707299 /nfs/dbraw/zinc/70/72/99/999707299.db2.gz XSTJCJRGLXORGM-UHFFFAOYSA-N 0 1 420.473 3.778 20 5 HHBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000489261980 999732708 /nfs/dbraw/zinc/73/27/08/999732708.db2.gz WQUIFSNENCERJL-MNOVXSKESA-N 0 1 400.464 3.841 20 5 HHBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480662070 999853659 /nfs/dbraw/zinc/85/36/59/999853659.db2.gz LPCBRRSKLNBXNA-QKKBWIMNSA-N 0 1 411.437 3.564 20 5 HHBDMN O=C(CCc1ccccc1Br)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490341222 999940572 /nfs/dbraw/zinc/94/05/72/999940572.db2.gz DLCILBLCPJKOEQ-UHFFFAOYSA-N 0 1 416.235 3.714 20 5 HHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Oc2ccccc2)nc1 ZINC000490369562 999946328 /nfs/dbraw/zinc/94/63/28/999946328.db2.gz OXCWRKWIPFMGDT-UHFFFAOYSA-N 0 1 402.370 3.820 20 5 HHBDMN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000490604573 999983131 /nfs/dbraw/zinc/98/31/31/999983131.db2.gz DLDVBRVXTZAMFD-UHFFFAOYSA-N 0 1 420.351 3.839 20 5 HHBDMN COc1ccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1[N+](=O)[O-] ZINC000490609722 999983838 /nfs/dbraw/zinc/98/38/38/999983838.db2.gz QZUYTYOCKWJEIO-UHFFFAOYSA-N 0 1 407.308 3.660 20 5 HHBDMN COc1ccc(OCCN2CCC3(CC2)OCCc2ccsc23)c([N+](=O)[O-])c1 ZINC000492307360 1000120860 /nfs/dbraw/zinc/12/08/60/1000120860.db2.gz GHXPKMVUGXZSTC-UHFFFAOYSA-N 0 1 404.488 3.608 20 5 HHBDMN CCOc1cc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)ccc1[N+](=O)[O-] ZINC000492506823 1000129655 /nfs/dbraw/zinc/12/96/55/1000129655.db2.gz CXTSBBANCHCNGP-UHFFFAOYSA-N 0 1 418.881 3.893 20 5 HHBDMN CCOc1cc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)ccc1[N+](=O)[O-] ZINC000492693889 1000139058 /nfs/dbraw/zinc/13/90/58/1000139058.db2.gz ADMMYGJTZAHRCU-UHFFFAOYSA-N 0 1 409.446 3.818 20 5 HHBDMN COC(=O)c1cccc2nc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[nH]c21 ZINC000494071295 1000295007 /nfs/dbraw/zinc/29/50/07/1000295007.db2.gz GLNUYGZXOHKOQY-UHFFFAOYSA-N 0 1 423.410 3.634 20 5 HHBDMN CCOc1cc(CN[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000494258059 1000394010 /nfs/dbraw/zinc/39/40/10/1000394010.db2.gz XBSQGJCSDRHFTN-OXQOHEQNSA-N 0 1 403.866 3.709 20 5 HHBDMN CCOc1cc(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000494258058 1000394228 /nfs/dbraw/zinc/39/42/28/1000394228.db2.gz XBSQGJCSDRHFTN-OXJNMPFZSA-N 0 1 403.866 3.709 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494474348 1000511899 /nfs/dbraw/zinc/51/18/99/1000511899.db2.gz MHLPEOFOBPOFFS-IEBWSBKVSA-N 0 1 407.829 3.754 20 5 HHBDMN CC(C)CN1Cc2cccc(NC(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)c2C1 ZINC000494519166 1000535820 /nfs/dbraw/zinc/53/58/20/1000535820.db2.gz JZCNBNPGSDEMLW-UHFFFAOYSA-N 0 1 411.458 3.519 20 5 HHBDMN O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000495279011 1000949106 /nfs/dbraw/zinc/94/91/06/1000949106.db2.gz YXNWFYGXQUPDQP-UHFFFAOYSA-N 0 1 403.354 3.514 20 5 HHBDMN O=C(N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505787032 1001024047 /nfs/dbraw/zinc/02/40/47/1001024047.db2.gz JISHGDWIXMHKEG-HXUWFJFHSA-N 0 1 418.409 3.596 20 5 HHBDMN Cc1ccc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cc1[N+](=O)[O-] ZINC000505788380 1001024391 /nfs/dbraw/zinc/02/43/91/1001024391.db2.gz HKNOKEPBNQWFKJ-UHFFFAOYSA-N 0 1 410.474 3.970 20 5 HHBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000497063838 1001263678 /nfs/dbraw/zinc/26/36/78/1001263678.db2.gz 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SDYYPYDDMGUZFI-MRXNPFEDSA-N 0 1 410.243 3.986 20 5 HHBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc3ncccc3c2)c1 ZINC000534941765 1006982190 /nfs/dbraw/zinc/98/21/90/1006982190.db2.gz CYKVCLJFSSAVBT-UHFFFAOYSA-N 0 1 408.233 3.706 20 5 HHBDMN CN1CC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534962862 1007012063 /nfs/dbraw/zinc/01/20/63/1007012063.db2.gz OBTLBJMGGPGPRP-BEFAXECRSA-N 0 1 420.872 3.880 20 5 HHBDMN O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000516337492 1007025686 /nfs/dbraw/zinc/02/56/86/1007025686.db2.gz MOLWHDCLHYGXPL-GOSISDBHSA-N 0 1 401.413 3.641 20 5 HHBDMN CN1CC[C@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534971746 1007028412 /nfs/dbraw/zinc/02/84/12/1007028412.db2.gz PDBCCOKHQOQOEP-DNVCBOLYSA-N 0 1 420.872 3.880 20 5 HHBDMN CC(C)(C)OC(=O)c1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000538823664 1007097354 /nfs/dbraw/zinc/09/73/54/1007097354.db2.gz SBVRWCHTGOKUPE-UHFFFAOYSA-N 0 1 409.402 3.588 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ZINC000301611805 971001838 /nfs/dbraw/zinc/00/18/38/971001838.db2.gz FBXNIDGXMOTHCH-QFBILLFUSA-N 0 1 419.485 3.634 20 5 HHBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000537541306 1013056488 /nfs/dbraw/zinc/05/64/88/1013056488.db2.gz VPFFTGYMBXVDHL-OAHLLOKOSA-N 0 1 413.478 3.789 20 5 HHBDMN Cc1cc(N2CCC(n3c4ccccc4[nH]c3=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302063134 971165925 /nfs/dbraw/zinc/16/59/25/971165925.db2.gz ADVLWEADKWSAAM-UHFFFAOYSA-N 0 1 403.442 3.936 20 5 HHBDMN CC1CCN(Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000302662900 971273984 /nfs/dbraw/zinc/27/39/84/971273984.db2.gz PKWXKPJNKVAZHQ-UHFFFAOYSA-N 0 1 417.531 3.842 20 5 HHBDMN CC[C@H](C)CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000303532636 971833187 /nfs/dbraw/zinc/83/31/87/971833187.db2.gz RYYIEVIQSPAGMW-AWEZNQCLSA-N 0 1 419.503 3.822 20 5 HHBDMN COc1cccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1OC1CCCC1 ZINC000303539146 971839473 /nfs/dbraw/zinc/83/94/73/971839473.db2.gz HORDAIZKKFSQBI-UHFFFAOYSA-N 0 1 410.430 3.731 20 5 HHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000303739264 971993218 /nfs/dbraw/zinc/99/32/18/971993218.db2.gz HVPMNXPNARCTJD-HOCLYGCPSA-N 0 1 419.445 3.628 20 5 HHBDMN Cc1[nH]c2ccccc2c1C1=CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542209008 1013153742 /nfs/dbraw/zinc/15/37/42/1013153742.db2.gz NABSLEZOSZSSQG-SFHVURJKSA-N 0 1 407.470 3.914 20 5 HHBDMN COc1cc(CN(C)CC2(O)CCCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000537623602 1013172678 /nfs/dbraw/zinc/17/26/78/1013172678.db2.gz KABATFINMCFWFE-UHFFFAOYSA-N 0 1 400.475 3.919 20 5 HHBDMN Cc1ccc(S(=O)(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000542237994 1013196192 /nfs/dbraw/zinc/19/61/92/1013196192.db2.gz JFBIZRKWGHNZNI-AWEZNQCLSA-N 0 1 410.320 3.763 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000004492643 960597304 /nfs/dbraw/zinc/59/73/04/960597304.db2.gz QLVUKPAKKRYQLU-UHFFFAOYSA-N 0 1 412.471 3.957 20 5 HHBDMN CCOC(=O)c1cnn(C2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)c1C ZINC000553244070 1013209436 /nfs/dbraw/zinc/20/94/36/1013209436.db2.gz LMMJPYXLDRHUEI-UHFFFAOYSA-N 0 1 423.473 3.975 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] ZINC000008181433 961466758 /nfs/dbraw/zinc/46/67/58/961466758.db2.gz MPRZADDVNWUTMY-UHFFFAOYSA-N 0 1 417.487 3.720 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1n[nH]c(CCC2CCCC2)n1 ZINC000012104526 962240185 /nfs/dbraw/zinc/24/01/85/962240185.db2.gz IVOHPYOBGBZESY-LBPRGKRZSA-N 0 1 419.507 3.964 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(CCC2CCCC2)n[nH]1 ZINC000012104526 962240198 /nfs/dbraw/zinc/24/01/98/962240198.db2.gz IVOHPYOBGBZESY-LBPRGKRZSA-N 0 1 419.507 3.964 20 5 HHBDMN COc1cccc(NC(=O)[C@H](NCCNc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000015505519 962777604 /nfs/dbraw/zinc/77/76/04/962777604.db2.gz PVCJSKJASURJFK-JOCHJYFZSA-N 0 1 420.469 3.985 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000553512727 1013412570 /nfs/dbraw/zinc/41/25/70/1013412570.db2.gz NQHMBXRPDXPAGT-UHFFFAOYSA-N 0 1 404.366 3.985 20 5 HHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000024469746 964005434 /nfs/dbraw/zinc/00/54/34/964005434.db2.gz HDSSRNMFTSAWPG-UHFFFAOYSA-N 0 1 400.504 3.629 20 5 HHBDMN CC(C)NC(=O)c1ccc(NC[C@@H](C)N2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000025500589 964288121 /nfs/dbraw/zinc/28/81/21/964288121.db2.gz IAKRPWJWWBAGPL-CQSZACIVSA-N 0 1 402.520 3.653 20 5 HHBDMN Cc1c(NC(=O)CCN2CCN(c3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000026218733 964488787 /nfs/dbraw/zinc/48/87/87/964488787.db2.gz DQMPXGQKMBMTGZ-UHFFFAOYSA-N 0 1 402.882 3.707 20 5 HHBDMN Cc1ccc([C@@H](C)NCc2ccccc2CS(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000537938687 1013522819 /nfs/dbraw/zinc/52/28/19/1013522819.db2.gz LDIKIZBIKJDIEV-QGZVFWFLSA-N 0 1 417.531 3.680 20 5 HHBDMN Cc1ccc([C@H](C)NCc2ccccc2CS(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000537938686 1013523165 /nfs/dbraw/zinc/52/31/65/1013523165.db2.gz LDIKIZBIKJDIEV-KRWDZBQOSA-N 0 1 417.531 3.680 20 5 HHBDMN CC(C)[C@@H](C)N(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000027232479 964826082 /nfs/dbraw/zinc/82/60/82/964826082.db2.gz NVTGSSJILGDPPL-CQSZACIVSA-N 0 1 405.476 3.512 20 5 HHBDMN C[C@@H](Nc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052916318 965021243 /nfs/dbraw/zinc/02/12/43/965021243.db2.gz XUQIDZGSJOQODV-CYBMUJFWSA-N 0 1 402.414 3.713 20 5 HHBDMN COc1ccc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C2CC2)cc1 ZINC000053097637 965061484 /nfs/dbraw/zinc/06/14/84/965061484.db2.gz OCULFBPXGGGBGS-HNNXBMFYSA-N 0 1 413.474 3.851 20 5 HHBDMN CC(C)NC(=O)c1ccc(NC[C@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000028749742 965175975 /nfs/dbraw/zinc/17/59/75/965175975.db2.gz GDSLWZTWQZVEBM-LJQANCHMSA-N 0 1 400.479 3.965 20 5 HHBDMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000028779562 965180436 /nfs/dbraw/zinc/18/04/36/965180436.db2.gz UJTJRKOLCPFXNH-UHFFFAOYSA-N 0 1 401.492 3.517 20 5 HHBDMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000028779562 965180445 /nfs/dbraw/zinc/18/04/45/965180445.db2.gz UJTJRKOLCPFXNH-UHFFFAOYSA-N 0 1 401.492 3.517 20 5 HHBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553723750 1013572186 /nfs/dbraw/zinc/57/21/86/1013572186.db2.gz YFNBFBRCQQRHJB-DIFFPNOSSA-N 0 1 410.348 3.921 20 5 HHBDMN CCN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1CCCC1 ZINC000058365791 965709464 /nfs/dbraw/zinc/70/94/64/965709464.db2.gz AJRJMNVLBXSNSO-UHFFFAOYSA-N 0 1 417.487 3.800 20 5 HHBDMN CCc1[nH]nc(C(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)c1[N+](=O)[O-] ZINC000553781951 1013610793 /nfs/dbraw/zinc/61/07/93/1013610793.db2.gz HQGUITHHFGQJTO-UHFFFAOYSA-N 0 1 414.384 3.710 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000055619756 965966935 /nfs/dbraw/zinc/96/69/35/965966935.db2.gz SUHCZRFLCNKICX-UHFFFAOYSA-N 0 1 411.439 3.956 20 5 HHBDMN Cc1c(NC(=O)c2ccccc2)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055663250 966006331 /nfs/dbraw/zinc/00/63/31/966006331.db2.gz ARLCADUDYMQZDT-UHFFFAOYSA-N 0 1 411.439 3.956 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)cc1 ZINC000031722413 966096906 /nfs/dbraw/zinc/09/69/06/966096906.db2.gz UUXUKZZAEXZPCY-UHFFFAOYSA-N 0 1 412.349 3.600 20 5 HHBDMN Cc1ccccc1CN1CCCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000031766538 966114808 /nfs/dbraw/zinc/11/48/08/966114808.db2.gz SCSOMAACFGMTDR-UHFFFAOYSA-N 0 1 422.529 3.852 20 5 HHBDMN C[C@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056159847 966239547 /nfs/dbraw/zinc/23/95/47/966239547.db2.gz ABGAGAGXDRDIFF-KBPBESRZSA-N 0 1 411.462 3.557 20 5 HHBDMN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000032465456 966263065 /nfs/dbraw/zinc/26/30/65/966263065.db2.gz BTGKVEYVKWAQOA-LBPRGKRZSA-N 0 1 409.446 3.526 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000032504723 966274849 /nfs/dbraw/zinc/27/48/49/966274849.db2.gz DXOKGCPBLYKBDY-UHFFFAOYSA-N 0 1 400.504 3.711 20 5 HHBDMN C[C@H]1CCC[C@H](NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000033181214 966386627 /nfs/dbraw/zinc/38/66/27/966386627.db2.gz CPOWYGPSZILNCV-YOEHRIQHSA-N 0 1 417.487 3.704 20 5 HHBDMN COc1cc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC ZINC000538122709 1013684872 /nfs/dbraw/zinc/68/48/72/1013684872.db2.gz NHPPBLZLSWUQHJ-LLVKDONJSA-N 0 1 423.853 3.563 20 5 HHBDMN COc1cccc([C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000043306867 966948454 /nfs/dbraw/zinc/94/84/54/966948454.db2.gz DQCUGGCIIXFNLZ-NRFANRHFSA-N 0 1 412.490 3.582 20 5 HHBDMN CN1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000044796644 967292256 /nfs/dbraw/zinc/29/22/56/967292256.db2.gz PHFKHMYJQYQCGR-UHFFFAOYSA-N 0 1 408.380 3.618 20 5 HHBDMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542871793 1013724505 /nfs/dbraw/zinc/72/45/05/1013724505.db2.gz FHGQMIJHMMGLAL-MRXNPFEDSA-N 0 1 405.401 3.591 20 5 HHBDMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542871792 1013724668 /nfs/dbraw/zinc/72/46/68/1013724668.db2.gz FHGQMIJHMMGLAL-INIZCTEOSA-N 0 1 405.401 3.591 20 5 HHBDMN C[C@@H](NCC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1cccc([N+](=O)[O-])c1 ZINC000538177383 1013736664 /nfs/dbraw/zinc/73/66/64/1013736664.db2.gz VMKKHSIYOBNLIL-GFCCVEGCSA-N 0 1 405.838 3.699 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000047319992 968138179 /nfs/dbraw/zinc/13/81/79/968138179.db2.gz WVCNNJLPPWDCFN-UHFFFAOYSA-N 0 1 402.426 3.529 20 5 HHBDMN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-c2ccncc2)cc1 ZINC000538239961 1013788136 /nfs/dbraw/zinc/78/81/36/1013788136.db2.gz JUBBCFVOYONYOA-MRXNPFEDSA-N 0 1 402.454 3.897 20 5 HHBDMN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-c2ccncc2)cc1 ZINC000538239960 1013788223 /nfs/dbraw/zinc/78/82/23/1013788223.db2.gz JUBBCFVOYONYOA-INIZCTEOSA-N 0 1 402.454 3.897 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4C)C3)[nH]c2c1 ZINC000538265300 1013807054 /nfs/dbraw/zinc/80/70/54/1013807054.db2.gz MKAYPUSWEABEEN-OAHLLOKOSA-N 0 1 414.487 3.656 20 5 HHBDMN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000538275819 1013814919 /nfs/dbraw/zinc/81/49/19/1013814919.db2.gz BQLZEUODYYTRFM-MRXNPFEDSA-N 0 1 412.490 3.675 20 5 HHBDMN Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000071925084 968891115 /nfs/dbraw/zinc/89/11/15/968891115.db2.gz PRJOKGJVPVGZLR-UHFFFAOYSA-N 0 1 422.407 3.926 20 5 HHBDMN CCCc1[nH]nc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1[N+](=O)[O-] ZINC000078773384 969017698 /nfs/dbraw/zinc/01/76/98/969017698.db2.gz BLVZJVUVBUSJPD-UHFFFAOYSA-N 0 1 416.507 3.842 20 5 HHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2nnc3ccccn32)CC1 ZINC000096955695 969063482 /nfs/dbraw/zinc/06/34/82/969063482.db2.gz YLACYSBMAXPYQN-CQSZACIVSA-N 0 1 419.445 3.628 20 5 HHBDMN O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCCN(Cc2ccccc2)CC1 ZINC000105304990 969229559 /nfs/dbraw/zinc/22/95/59/969229559.db2.gz SCKKTQHZTXPEFI-UHFFFAOYSA-N 0 1 422.529 3.933 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C[C@H](C)O1 ZINC000109874620 969582722 /nfs/dbraw/zinc/58/27/22/969582722.db2.gz YYZHIBJRCLVAIX-IYBDPMFKSA-N 0 1 422.485 3.615 20 5 HHBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000116351274 969888075 /nfs/dbraw/zinc/88/80/75/969888075.db2.gz HRNXCFUMIVKPGZ-UHFFFAOYSA-N 0 1 422.420 3.735 20 5 HHBDMN COc1cc(CNCc2cccc(CO)c2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237110877 970224646 /nfs/dbraw/zinc/22/46/46/970224646.db2.gz LLQYEAPBUGJXJR-UHFFFAOYSA-N 0 1 408.454 3.965 20 5 HHBDMN COc1cc(CNCc2ccccc2CO)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237119873 970225581 /nfs/dbraw/zinc/22/55/81/970225581.db2.gz HNBUQDYIKGIFTH-UHFFFAOYSA-N 0 1 408.454 3.965 20 5 HHBDMN COc1ccc(CNCc2ccccc2CO)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237245295 970247744 /nfs/dbraw/zinc/24/77/44/970247744.db2.gz DEPSJPLOTKDMKV-UHFFFAOYSA-N 0 1 408.454 3.965 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](c3ccccc3)N3CCOCC3)cs2)c1 ZINC000238007731 970417437 /nfs/dbraw/zinc/41/74/37/970417437.db2.gz OXWBSGHIUMUECN-NRFANRHFSA-N 0 1 424.526 3.881 20 5 HHBDMN COc1ccccc1[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])N1CCCCC1 ZINC000301070672 970733698 /nfs/dbraw/zinc/73/36/98/970733698.db2.gz HAOAYFDMOYQMPO-FQEVSTJZSA-N 0 1 423.473 3.891 20 5 HHBDMN COc1ccc([C@H](CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000301078501 970737508 /nfs/dbraw/zinc/73/75/08/970737508.db2.gz RKBGQLPBVZDICI-NRFANRHFSA-N 0 1 423.473 3.891 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000323132537 972708541 /nfs/dbraw/zinc/70/85/41/972708541.db2.gz YQGBSBOQHCGDOM-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000324211159 972719933 /nfs/dbraw/zinc/71/99/33/972719933.db2.gz CYSWNSXPVWPGKQ-VIFPVBQESA-N 0 1 403.229 3.536 20 5 HHBDMN Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425969683 974075360 /nfs/dbraw/zinc/07/53/60/974075360.db2.gz ZKTMBRLHYRIGLF-UHFFFAOYSA-N 0 1 400.870 3.776 20 5 HHBDMN C[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCc2ccccc2C1 ZINC000426009350 974125734 /nfs/dbraw/zinc/12/57/34/974125734.db2.gz GFEFDHAZQMQTNG-QGZVFWFLSA-N 0 1 408.502 3.716 20 5 HHBDMN Cc1cccc2nc(CNC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[nH]c21 ZINC000426240223 974336711 /nfs/dbraw/zinc/33/67/11/974336711.db2.gz VQLAXEGVOBUYIJ-UHFFFAOYSA-N 0 1 407.352 3.798 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccco1 ZINC000426316276 974391257 /nfs/dbraw/zinc/39/12/57/974391257.db2.gz DCJPSJSDVIWYAS-IBGZPJMESA-N 0 1 400.479 3.945 20 5 HHBDMN O=C([O-])[C@H](CN1CCCc2ccccc21)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426750690 974634932 /nfs/dbraw/zinc/63/49/32/974634932.db2.gz PNYQTGDLLFDBDE-IBGZPJMESA-N 0 1 421.453 3.850 20 5 HHBDMN C/C=C\c1ccc(OC[C@H](O)CNC(C)(C)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000429259216 976547511 /nfs/dbraw/zinc/54/75/11/976547511.db2.gz JMVBNOFNATYMDI-CTEOGUNLSA-N 0 1 400.475 3.901 20 5 HHBDMN COc1ccc(Br)c(CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000430194894 977384220 /nfs/dbraw/zinc/38/42/20/977384220.db2.gz LCMDUCMPOOQUQV-UHFFFAOYSA-N 0 1 419.235 3.514 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ncc3n2CCCC3)cc1[N+](=O)[O-] ZINC000430367174 977505116 /nfs/dbraw/zinc/50/51/16/977505116.db2.gz SIEYUYKCBJJUMS-UHFFFAOYSA-N 0 1 412.471 3.904 20 5 HHBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431770909 978499454 /nfs/dbraw/zinc/49/94/54/978499454.db2.gz UOMNSRJSYXNJFE-HNNXBMFYSA-N 0 1 424.320 3.986 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000431773013 978501164 /nfs/dbraw/zinc/50/11/64/978501164.db2.gz UJZQLTKVNKMZHS-INIZCTEOSA-N 0 1 410.243 3.529 20 5 HHBDMN O=C1CCc2cc(Cl)c(NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cc21 ZINC000432076085 978670597 /nfs/dbraw/zinc/67/05/97/978670597.db2.gz GICGBGCVONZAIK-UHFFFAOYSA-N 0 1 401.227 3.831 20 5 HHBDMN CC1(C)C[C@H](NCc2cccc(NC(=O)Cn3cccn3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433147131 979099455 /nfs/dbraw/zinc/09/94/55/979099455.db2.gz NKEMDICEWUVUDW-NRFANRHFSA-N 0 1 419.485 3.942 20 5 HHBDMN O=C(NCC1(CN2CCOCC2)CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000434000774 979747801 /nfs/dbraw/zinc/74/78/01/979747801.db2.gz DMXJZXVGTUBEGK-UHFFFAOYSA-N 0 1 410.902 3.652 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000434021807 979764122 /nfs/dbraw/zinc/76/41/22/979764122.db2.gz MSNXBPPNADFDEP-CYBMUJFWSA-N 0 1 412.368 3.674 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)c2C)o1 ZINC000434507059 980218067 /nfs/dbraw/zinc/21/80/67/980218067.db2.gz YDTCSYVFAYGPRC-UHFFFAOYSA-N 0 1 409.427 4.571 20 5 HHBDMN COc1ccc([C@H](CNC(=O)c2cccc(OC)c2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000435635977 980970003 /nfs/dbraw/zinc/97/00/03/980970003.db2.gz IGOOTQHIGNRSMT-IBGZPJMESA-N 0 1 413.474 3.569 20 5 HHBDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000435642038 980972151 /nfs/dbraw/zinc/97/21/51/980972151.db2.gz PSLCDJYGBPWBFO-UHFFFAOYSA-N 0 1 418.497 3.905 20 5 HHBDMN COc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1C ZINC000435722727 981002838 /nfs/dbraw/zinc/00/28/38/981002838.db2.gz KZUFERSJZHSQIM-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1[N+](=O)[O-] ZINC000435738133 981010097 /nfs/dbraw/zinc/01/00/97/981010097.db2.gz OZZDVNRMKPAFDR-VIFPVBQESA-N 0 1 417.413 3.936 20 5 HHBDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000436042146 981175681 /nfs/dbraw/zinc/17/56/81/981175681.db2.gz FJGSGAUJWVVSMZ-UHFFFAOYSA-N 0 1 420.513 3.675 20 5 HHBDMN C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCCC[C@@H]1C ZINC000436096177 981197973 /nfs/dbraw/zinc/19/79/73/981197973.db2.gz FAQLULQELJFVDB-UONOGXRCSA-N 0 1 413.468 3.952 20 5 HHBDMN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000436198902 981246128 /nfs/dbraw/zinc/24/61/28/981246128.db2.gz OLWPTOAFVWQXGB-SNVBAGLBSA-N 0 1 414.871 3.718 20 5 HHBDMN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000436512580 981410331 /nfs/dbraw/zinc/41/03/31/981410331.db2.gz LAPXPMMOILMYQJ-UHFFFAOYSA-N 0 1 415.449 3.828 20 5 HHBDMN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000436887981 981602149 /nfs/dbraw/zinc/60/21/49/981602149.db2.gz YSZQCIYMKFXNHT-UHFFFAOYSA-N 0 1 417.465 3.848 20 5 HHBDMN C[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCN1Cc1ccccc1 ZINC000437468288 982098624 /nfs/dbraw/zinc/09/86/24/982098624.db2.gz OJKPYDFDAQNBOF-SFHVURJKSA-N 0 1 419.485 3.517 20 5 HHBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000437515638 982141082 /nfs/dbraw/zinc/14/10/82/982141082.db2.gz MLUXPSCANARZPW-UHFFFAOYSA-N 0 1 417.429 3.581 20 5 HHBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000437515638 982141088 /nfs/dbraw/zinc/14/10/88/982141088.db2.gz MLUXPSCANARZPW-UHFFFAOYSA-N 0 1 417.429 3.581 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1nc2ccccc2n1C ZINC000437606907 982228779 /nfs/dbraw/zinc/22/87/79/982228779.db2.gz RICFXWULDDEEHP-IBGZPJMESA-N 0 1 423.473 3.656 20 5 HHBDMN CCCOc1cc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c([N+](=O)[O-])cc1OCCC ZINC000437615531 982235665 /nfs/dbraw/zinc/23/56/65/982235665.db2.gz PMMRXSJOCKIKFG-INIZCTEOSA-N 0 1 418.494 3.650 20 5 HHBDMN COc1ccc(S(=O)(=O)Nc2cccnc2-c2csc(C)c2)cc1[N+](=O)[O-] ZINC000437668771 982284658 /nfs/dbraw/zinc/28/46/58/982284658.db2.gz BTSPOXAPZKVRNX-UHFFFAOYSA-N 0 1 405.457 3.836 20 5 HHBDMN Cc1cc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000438434919 982789904 /nfs/dbraw/zinc/78/99/04/982789904.db2.gz AXUUHIHADFVPCI-HNNXBMFYSA-N 0 1 405.336 3.560 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CCOc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000438626363 982946962 /nfs/dbraw/zinc/94/69/62/982946962.db2.gz JWXGYGMEMACKQY-LBPRGKRZSA-N 0 1 423.267 3.800 20 5 HHBDMN CCc1nnc(-c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2)o1 ZINC000438723989 983026526 /nfs/dbraw/zinc/02/65/26/983026526.db2.gz NFIOODUNZYYUQZ-UHFFFAOYSA-N 0 1 402.432 3.625 20 5 HHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000439082838 983241824 /nfs/dbraw/zinc/24/18/24/983241824.db2.gz FHZAUGYSMONGDS-CYBMUJFWSA-N 0 1 403.870 3.990 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)N1CCCCC1 ZINC000439108125 983253463 /nfs/dbraw/zinc/25/34/63/983253463.db2.gz BQZCRQLWWAOPRK-NRFANRHFSA-N 0 1 411.502 3.798 20 5 HHBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Br)s1 ZINC000439191346 983301851 /nfs/dbraw/zinc/30/18/51/983301851.db2.gz UJWGSTPXFVTKMS-MRVPVSSYSA-N 0 1 422.264 3.946 20 5 HHBDMN Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000439872740 983563871 /nfs/dbraw/zinc/56/38/71/983563871.db2.gz MSUJHMFGUSYCSS-ROUUACIJSA-N 0 1 417.531 3.655 20 5 HHBDMN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000440746647 983882809 /nfs/dbraw/zinc/88/28/09/983882809.db2.gz JXXNDEJUMAXZQT-QGZVFWFLSA-N 0 1 400.822 3.867 20 5 HHBDMN C[C@@H](O)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441228301 984126323 /nfs/dbraw/zinc/12/63/23/984126323.db2.gz JMZCDJKQNSRLEB-LSDHHAIUSA-N 0 1 405.882 3.501 20 5 HHBDMN C[C@@H](O)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)Cc1ccc(Cl)cc1 ZINC000441228300 984126531 /nfs/dbraw/zinc/12/65/31/984126531.db2.gz JMZCDJKQNSRLEB-HUUCEWRRSA-N 0 1 405.882 3.501 20 5 HHBDMN Cc1ccc([C@H](Cn2ccnc2)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000441379773 984219769 /nfs/dbraw/zinc/21/97/69/984219769.db2.gz DWTUYGKAMCMHCS-UTKZUKDTSA-N 0 1 407.474 3.766 20 5 HHBDMN Cc1ccc([C@H](Cn2ccnc2)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441384346 984223136 /nfs/dbraw/zinc/22/31/36/984223136.db2.gz NQQCDILROAXZBB-UTKZUKDTSA-N 0 1 407.474 3.766 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000441540256 984312095 /nfs/dbraw/zinc/31/20/95/984312095.db2.gz AYALUOYEQMVXHB-INIZCTEOSA-N 0 1 406.851 3.650 20 5 HHBDMN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000441547385 984315615 /nfs/dbraw/zinc/31/56/15/984315615.db2.gz ZRUSEPZOHZPBCH-KRWDZBQOSA-N 0 1 420.878 3.791 20 5 HHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441659135 984379169 /nfs/dbraw/zinc/37/91/69/984379169.db2.gz OEMDHJUNEURRAU-IPJJNNNSSA-N 0 1 409.486 3.941 20 5 HHBDMN Cc1cc(-c2nc(C3CC3)no2)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442219007 984738404 /nfs/dbraw/zinc/73/84/04/984738404.db2.gz XSNYJUISDSJQSM-UHFFFAOYSA-N 0 1 400.416 3.631 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000462382166 985365378 /nfs/dbraw/zinc/36/53/78/985365378.db2.gz WVJGZRSSLTWVNP-CQSZACIVSA-N 0 1 419.503 3.764 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000462382166 985365386 /nfs/dbraw/zinc/36/53/86/985365386.db2.gz WVJGZRSSLTWVNP-CQSZACIVSA-N 0 1 419.503 3.764 20 5 HHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N1CCN(CC)CC1 ZINC000462418893 985391890 /nfs/dbraw/zinc/39/18/90/985391890.db2.gz QTFHNPDBZWGXFW-IBGZPJMESA-N 0 1 410.518 3.944 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN([C@H](C)c2ccsc2)CC1 ZINC000462464626 985424494 /nfs/dbraw/zinc/42/44/94/985424494.db2.gz BLEKELUMHVWZCB-MRXNPFEDSA-N 0 1 402.520 3.672 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000462496927 985450047 /nfs/dbraw/zinc/45/00/47/985450047.db2.gz XCSCLBRXXKIMFM-RISCZKNCSA-N 0 1 401.271 3.811 20 5 HHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000462767306 985704300 /nfs/dbraw/zinc/70/43/00/985704300.db2.gz KXZGSQWGOUDISZ-SFHVURJKSA-N 0 1 411.502 3.759 20 5 HHBDMN O=[N+]([O-])c1ccc(NCCN2CCN(c3ccc(F)cc3)CC2)cc1OC(F)F ZINC000462931392 985868164 /nfs/dbraw/zinc/86/81/64/985868164.db2.gz LWVSINAFYZZALQ-UHFFFAOYSA-N 0 1 410.396 3.569 20 5 HHBDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000443672514 985879874 /nfs/dbraw/zinc/87/98/74/985879874.db2.gz FHOAIOBEQBYYHJ-UHFFFAOYSA-N 0 1 417.375 3.997 20 5 HHBDMN C[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(-c4cn[nH]n4)c3)cc2[N+](=O)[O-])C1 ZINC000443684597 985896592 /nfs/dbraw/zinc/89/65/92/985896592.db2.gz TZTIBAVLXNAJPY-AWEZNQCLSA-N 0 1 406.446 3.869 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)c1cccc(OC)c1[N+](=O)[O-])N1CCCCC1 ZINC000444028052 986222522 /nfs/dbraw/zinc/22/25/22/986222522.db2.gz GKTCCOANPYPZDN-GOSISDBHSA-N 0 1 413.474 3.569 20 5 HHBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444037438 986235048 /nfs/dbraw/zinc/23/50/48/986235048.db2.gz ZWINBKPMJYJKLU-UHFFFAOYSA-N 0 1 417.375 3.997 20 5 HHBDMN CN(C)C1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc2C1 ZINC000444078186 986279673 /nfs/dbraw/zinc/27/96/73/986279673.db2.gz CYWFQQHSQCCPOC-UHFFFAOYSA-N 0 1 411.505 3.510 20 5 HHBDMN CC(C)c1nc([C@@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)n[nH]1 ZINC000444293912 986479928 /nfs/dbraw/zinc/47/99/28/986479928.db2.gz PJBAMMXZVOWLSD-SNVBAGLBSA-N 0 1 411.412 3.692 20 5 HHBDMN Cc1sc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c(O)c2)cc1[N+](=O)[O-] ZINC000444375200 986551365 /nfs/dbraw/zinc/55/13/65/986551365.db2.gz OKTXIJRSSIOSIL-UHFFFAOYSA-N 0 1 403.460 3.985 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc(CCC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000469041409 986751268 /nfs/dbraw/zinc/75/12/68/986751268.db2.gz SDPGFHHMIAODIS-UHFFFAOYSA-N 0 1 404.366 3.899 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(F)cc4c(=O)c5cccc(F)c5[nH]c34)n2)o1 ZINC000444744008 986909589 /nfs/dbraw/zinc/90/95/89/986909589.db2.gz NIYFBZHPPCQQTP-UHFFFAOYSA-N 0 1 421.363 3.898 20 5 HHBDMN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Br)s1 ZINC000444760379 986922541 /nfs/dbraw/zinc/92/25/41/986922541.db2.gz KDTYUZNDYILYLZ-JTQLQIEISA-N 0 1 410.293 3.659 20 5 HHBDMN Cc1ccc(NCCCNC(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)c([N+](=O)[O-])c1 ZINC000445141500 987237452 /nfs/dbraw/zinc/23/74/52/987237452.db2.gz UTVYWTDSOJFLEQ-UHFFFAOYSA-N 0 1 402.499 3.567 20 5 HHBDMN CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470672583 988694983 /nfs/dbraw/zinc/69/49/83/988694983.db2.gz WISDSXSGAIBMOA-OAQYLSRUSA-N 0 1 419.485 3.517 20 5 HHBDMN COc1cc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c([N+](=O)[O-])cc1OC ZINC000464578538 988756518 /nfs/dbraw/zinc/75/65/18/988756518.db2.gz NKFNKGOCFGCPSN-UHFFFAOYSA-N 0 1 421.207 3.503 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000464608472 988790148 /nfs/dbraw/zinc/79/01/48/988790148.db2.gz MYFZVTZLDPGZMA-JSGCOSHPSA-N 0 1 403.483 3.541 20 5 HHBDMN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000470825520 988895649 /nfs/dbraw/zinc/89/56/49/988895649.db2.gz SUOIHUCSXIHPJS-SECBINFHSA-N 0 1 419.235 3.733 20 5 HHBDMN COc1cc(Br)ccc1[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000470825521 988896483 /nfs/dbraw/zinc/89/64/83/988896483.db2.gz SUOIHUCSXIHPJS-VIFPVBQESA-N 0 1 419.235 3.733 20 5 HHBDMN C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H](c1ccccc1)N(C)C ZINC000471540775 989740050 /nfs/dbraw/zinc/74/00/50/989740050.db2.gz VASHYWCAWJKHMI-IQGLISFBSA-N 0 1 413.521 3.962 20 5 HHBDMN Cc1ccc([C@@H](CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)o1 ZINC000466222711 991439373 /nfs/dbraw/zinc/43/93/73/991439373.db2.gz HKZNYABOSCQOQJ-QGZVFWFLSA-N 0 1 406.870 3.786 20 5 HHBDMN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(CN2CCSCC2)cc1 ZINC000466293035 991542762 /nfs/dbraw/zinc/54/27/62/991542762.db2.gz JFYKDXVFYJYVRG-UHFFFAOYSA-N 0 1 405.907 3.727 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(Br)c(F)cc1F ZINC000466470029 991760452 /nfs/dbraw/zinc/76/04/52/991760452.db2.gz YPHVKVFRJDMMKL-UHFFFAOYSA-N 0 1 407.192 3.745 20 5 HHBDMN COc1ccc2c(c1)[C@H](N(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1)CCO2 ZINC000472234861 993263522 /nfs/dbraw/zinc/26/35/22/993263522.db2.gz UALMJFAOGQLRHT-OAQYLSRUSA-N 0 1 408.458 3.826 20 5 HHBDMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000480738181 993604645 /nfs/dbraw/zinc/60/46/45/993604645.db2.gz QRKUWGZZPPEJMB-YJBOKZPZSA-N 0 1 421.906 3.553 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c1C ZINC000480989359 993830906 /nfs/dbraw/zinc/83/09/06/993830906.db2.gz YGYRARMIBPAYMM-QAPCUYQASA-N 0 1 423.560 3.635 20 5 HHBDMN Cc1ccc(C)c(S(=O)(=O)NC2CCN([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000481020698 993864045 /nfs/dbraw/zinc/86/40/45/993864045.db2.gz HWFKPMRNKOUEOQ-QGZVFWFLSA-N 0 1 417.531 3.716 20 5 HHBDMN Cc1ccc(C)c(S(=O)(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000481020694 993864316 /nfs/dbraw/zinc/86/43/16/993864316.db2.gz HWFKPMRNKOUEOQ-KRWDZBQOSA-N 0 1 417.531 3.716 20 5 HHBDMN C[NH+](C)Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000481871439 994734333 /nfs/dbraw/zinc/73/43/33/994734333.db2.gz RWKKOXQGGBSGHW-UHFFFAOYSA-N 0 1 404.275 3.764 20 5 HHBDMN COC(=O)COc1ccc(CN[C@H]2CCCOc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000474003963 994993615 /nfs/dbraw/zinc/99/36/15/994993615.db2.gz ACLWYXBYQNXGHH-INIZCTEOSA-N 0 1 420.849 3.804 20 5 HHBDMN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(C2CCCCC2)CC1 ZINC000482062668 994994458 /nfs/dbraw/zinc/99/44/58/994994458.db2.gz RXILDMTXXSKPIR-UHFFFAOYSA-N 0 1 400.504 3.809 20 5 HHBDMN COC(=O)COc1ccc(CNC2(c3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] ZINC000474347711 995327442 /nfs/dbraw/zinc/32/74/42/995327442.db2.gz FFCPRWHYGJXSHN-UHFFFAOYSA-N 0 1 424.375 3.944 20 5 HHBDMN Cc1c(CN2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)cccc1[N+](=O)[O-] ZINC000482892276 995822465 /nfs/dbraw/zinc/82/24/65/995822465.db2.gz YHFZZXDBMNQIQE-UHFFFAOYSA-N 0 1 405.454 3.722 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccc(Br)cn1 ZINC000482963100 995884724 /nfs/dbraw/zinc/88/47/24/995884724.db2.gz RCXPYYBZOLRZMV-GFCCVEGCSA-N 0 1 407.268 3.740 20 5 HHBDMN COC(=O)COc1ccc(CN2C[C@H](C)C[C@H]2c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000475122537 995936397 /nfs/dbraw/zinc/93/63/97/995936397.db2.gz VWYQSBQFULELAB-BEFAXECRSA-N 0 1 414.458 3.738 20 5 HHBDMN Cc1nc2ccccc2n1C1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000475508670 996189498 /nfs/dbraw/zinc/18/94/98/996189498.db2.gz NOVGPHWPRJAJFU-UHFFFAOYSA-N 0 1 408.458 3.957 20 5 HHBDMN COc1cc(CN2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000475564441 996221000 /nfs/dbraw/zinc/22/10/00/996221000.db2.gz YFYJATPQLGNLQZ-KRWDZBQOSA-N 0 1 406.401 3.936 20 5 HHBDMN COC(=O)COc1ccc(CN(C)Cc2csc3ccccc23)cc1[N+](=O)[O-] ZINC000475568059 996223108 /nfs/dbraw/zinc/22/31/08/996223108.db2.gz ZYQOXLDMVDUZLD-UHFFFAOYSA-N 0 1 400.456 3.993 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000475801538 996379995 /nfs/dbraw/zinc/37/99/95/996379995.db2.gz ZELFKCMMEXBHKR-UHFFFAOYSA-N 0 1 423.344 3.518 20 5 HHBDMN COc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc(-n2cccn2)c1 ZINC000475836298 996404567 /nfs/dbraw/zinc/40/45/67/996404567.db2.gz SJAOZXWVWZKOAC-UHFFFAOYSA-N 0 1 422.850 3.552 20 5 HHBDMN COc1c(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000476058801 996572041 /nfs/dbraw/zinc/57/20/41/996572041.db2.gz DWMKSLAMBGVWHW-HNNXBMFYSA-N 0 1 423.391 3.627 20 5 HHBDMN COc1ccccc1-c1nc(C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000484293347 996684071 /nfs/dbraw/zinc/68/40/71/996684071.db2.gz KRHINUIFFGLPLS-UHFFFAOYSA-N 0 1 424.457 3.912 20 5 HHBDMN CN(C)Cc1ccc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1F ZINC000476368413 996800843 /nfs/dbraw/zinc/80/08/43/996800843.db2.gz UZBSZWNMQCZLTF-UHFFFAOYSA-N 0 1 400.454 3.670 20 5 HHBDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477243240 997916553 /nfs/dbraw/zinc/91/65/53/997916553.db2.gz HILZXJZAGUTUBA-ZIAGYGMSSA-N 0 1 423.477 3.895 20 5 HHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])c1 ZINC000485831259 998297154 /nfs/dbraw/zinc/29/71/54/998297154.db2.gz GNFTXXAAUSIDPM-NEPJUHHUSA-N 0 1 400.460 3.891 20 5 HHBDMN C[N@H+]1CC[C@H]([N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485994470 998437894 /nfs/dbraw/zinc/43/78/94/998437894.db2.gz PPMFSKOBGBBGDG-IRXDYDNUSA-N 0 1 401.373 3.780 20 5 HHBDMN CN1CC[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485994470 998437898 /nfs/dbraw/zinc/43/78/98/998437898.db2.gz PPMFSKOBGBBGDG-IRXDYDNUSA-N 0 1 401.373 3.780 20 5 HHBDMN COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C)c([N+](=O)[O-])c1 ZINC000486021626 998468331 /nfs/dbraw/zinc/46/83/31/998468331.db2.gz YOKUNQNTIYOLEI-UHFFFAOYSA-N 0 1 419.242 3.797 20 5 HHBDMN C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000486189733 998631870 /nfs/dbraw/zinc/63/18/70/998631870.db2.gz CKEJEDWXRQTRFT-CYBMUJFWSA-N 0 1 420.872 3.630 20 5 HHBDMN C[C@@H]1CC[C@@H](CNC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000478131523 998776137 /nfs/dbraw/zinc/77/61/37/998776137.db2.gz GXUFTWMMWLSVAP-HUUCEWRRSA-N 0 1 417.487 3.562 20 5 HHBDMN CCN(CC)[C@@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000478290490 998868018 /nfs/dbraw/zinc/86/80/18/998868018.db2.gz LQANZANGEUAKTC-KRWDZBQOSA-N 0 1 406.870 3.925 20 5 HHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000480123514 999723292 /nfs/dbraw/zinc/72/32/92/999723292.db2.gz KUGAFVAHUWZAOJ-UHFFFAOYSA-N 0 1 423.517 3.852 20 5 HHBDMN O=C(NCc1ccc(Br)cc1Oc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000489258140 999731983 /nfs/dbraw/zinc/73/19/83/999731983.db2.gz VHIGPIBLHLQCIZ-UHFFFAOYSA-N 0 1 417.219 3.803 20 5 HHBDMN Cc1nc(CN(C)[C@H]2CCCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)no1 ZINC000480212784 999746869 /nfs/dbraw/zinc/74/68/69/999746869.db2.gz ZHMUZTDSLVIBDK-INIZCTEOSA-N 0 1 410.478 3.634 20 5 HHBDMN Cc1csc(Sc2ccc(C(=O)N3CCN(C)[C@@H](C(C)C)C3)cc2[N+](=O)[O-])n1 ZINC000489333269 999747548 /nfs/dbraw/zinc/74/75/48/999747548.db2.gz GGUAZMMQFAUSBI-MRXNPFEDSA-N 0 1 420.560 3.923 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C[NH+]2CCCC2)ccc1C ZINC000489551521 999790548 /nfs/dbraw/zinc/79/05/48/999790548.db2.gz PFECQQYJHHOJEB-UHFFFAOYSA-N 0 1 403.504 3.862 20 5 HHBDMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000489620126 999804013 /nfs/dbraw/zinc/80/40/13/999804013.db2.gz IQTHAKYOSULNKN-DOTOQJQBSA-N 0 1 421.906 3.553 20 5 HHBDMN CC[NH+](CC)C[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000480515619 999816376 /nfs/dbraw/zinc/81/63/76/999816376.db2.gz RWQFKYRSRIANDN-OAHLLOKOSA-N 0 1 406.508 3.538 20 5 HHBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480662073 999853695 /nfs/dbraw/zinc/85/36/95/999853695.db2.gz LPCBRRSKLNBXNA-SPLOXXLWSA-N 0 1 411.437 3.564 20 5 HHBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480662074 999853727 /nfs/dbraw/zinc/85/37/27/999853727.db2.gz LPCBRRSKLNBXNA-SZNDQCEHSA-N 0 1 411.437 3.564 20 5 HHBDMN COc1cccc([C@H](CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)c1 ZINC000489892900 999856919 /nfs/dbraw/zinc/85/69/19/999856919.db2.gz SMHQMDBBVIHSBD-QRWLVFNGSA-N 0 1 400.479 3.575 20 5 HHBDMN CCOC(=O)c1cc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000490277059 999927474 /nfs/dbraw/zinc/92/74/74/999927474.db2.gz UPCYBPBCFAHMFW-UHFFFAOYSA-N 0 1 422.319 3.919 20 5 HHBDMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000490277495 999927547 /nfs/dbraw/zinc/92/75/47/999927547.db2.gz VISRBAJGAOSUNF-UHFFFAOYSA-N 0 1 416.319 3.928 20 5 HHBDMN COc1cc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c([N+](=O)[O-])cc1OC ZINC000490302157 999932050 /nfs/dbraw/zinc/93/20/50/999932050.db2.gz RNUREYSDKUTVPU-UHFFFAOYSA-N 0 1 410.308 3.759 20 5 HHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000490989894 1000031035 /nfs/dbraw/zinc/03/10/35/1000031035.db2.gz 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C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000539327214 1007626882 /nfs/dbraw/zinc/62/68/82/1007626882.db2.gz SJLBHEMDXVOHIN-AWEZNQCLSA-N 0 1 401.438 3.836 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4c(C)cccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000539364755 1007667461 /nfs/dbraw/zinc/66/74/61/1007667461.db2.gz OIYXWLXAAHQHFA-OAHLLOKOSA-N 0 1 414.487 3.656 20 5 HHBDMN Cc1cc(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccccc2F)n1 ZINC000539380230 1007684690 /nfs/dbraw/zinc/68/46/90/1007684690.db2.gz NPNCDJFGDPTHRM-OAHLLOKOSA-N 0 1 411.437 3.826 20 5 HHBDMN CCOc1ccc([C@@H](C)NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000539381390 1007685728 /nfs/dbraw/zinc/68/57/28/1007685728.db2.gz VUDDQTYIGKLQLS-HZPDHXFCSA-N 0 1 415.490 3.839 20 5 HHBDMN Cc1nc(N2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)sc1C ZINC000533606493 1007905912 /nfs/dbraw/zinc/90/59/12/1007905912.db2.gz ATZZEZRJONZURT-UHFFFAOYSA-N 0 1 413.503 3.688 20 5 HHBDMN CC(C)C[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000539636841 1007953418 /nfs/dbraw/zinc/95/34/18/1007953418.db2.gz BHNXCKWOHHTJAN-RYUDHWBXSA-N 0 1 411.307 3.774 20 5 HHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000539750090 1008064326 /nfs/dbraw/zinc/06/43/26/1008064326.db2.gz AQEIHSBXCRHESF-SFHVURJKSA-N 0 1 405.458 3.719 20 5 HHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000533828958 1008138718 /nfs/dbraw/zinc/13/87/18/1008138718.db2.gz YSLLOQOLNUQESL-HIFRSBDPSA-N 0 1 409.450 3.512 20 5 HHBDMN Cc1cc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)ccc1[N+](=O)[O-] ZINC000539856789 1008143934 /nfs/dbraw/zinc/14/39/34/1008143934.db2.gz XPIVUJULPIMCGV-UHFFFAOYSA-N 0 1 414.281 3.533 20 5 HHBDMN COc1ccc(CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@@H]2CCCC[C@H]2C)cc1OC ZINC000540116755 1008296593 /nfs/dbraw/zinc/29/65/93/1008296593.db2.gz FFCQPWBEAAHERI-CZUORRHYSA-N 0 1 416.478 3.865 20 5 HHBDMN Cc1cc(C[NH+]2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000540336563 1008386552 /nfs/dbraw/zinc/38/65/52/1008386552.db2.gz TVASXMNPANMQHP-UHFFFAOYSA-N 0 1 421.544 3.561 20 5 HHBDMN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(OCC(F)(F)F)cc1 ZINC000540363226 1008400391 /nfs/dbraw/zinc/40/03/91/1008400391.db2.gz OKTNIDBEMKVROR-CYBMUJFWSA-N 0 1 423.391 3.776 20 5 HHBDMN COc1ccc(CNCc2c(C)nn(-c3ccc(F)cc3F)c2C)cc1[N+](=O)[O-] ZINC000518776729 1008418093 /nfs/dbraw/zinc/41/80/93/1008418093.db2.gz KVOQFFXQWVANER-UHFFFAOYSA-N 0 1 402.401 3.974 20 5 HHBDMN COCCSc1ccc([C@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000518789815 1008421690 /nfs/dbraw/zinc/42/16/90/1008421690.db2.gz DVGGQTLQDZJNDE-YWZLYKJASA-N 0 1 415.515 3.789 20 5 HHBDMN COc1cc([C@@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)C ZINC000518791273 1008421809 /nfs/dbraw/zinc/42/18/09/1008421809.db2.gz GVLYISZNNNSQHH-BEFAXECRSA-N 0 1 413.474 3.847 20 5 HHBDMN Cc1c([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000540469060 1008443498 /nfs/dbraw/zinc/44/34/98/1008443498.db2.gz DGMMGSJBXNXZNN-KBPBESRZSA-N 0 1 411.437 3.906 20 5 HHBDMN Cc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000540477018 1008447089 /nfs/dbraw/zinc/44/70/89/1008447089.db2.gz WLKWVBVZHQSLQY-CQSZACIVSA-N 0 1 407.417 3.814 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000518858160 1008448468 /nfs/dbraw/zinc/44/84/68/1008448468.db2.gz DBBBDYUMVDQJJC-GJZGRUSLSA-N 0 1 419.503 3.572 20 5 HHBDMN CN(CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000549175113 1008747669 /nfs/dbraw/zinc/74/76/69/1008747669.db2.gz ZSXCOQCCNSJCKJ-HXUWFJFHSA-N 0 1 403.429 3.539 20 5 HHBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1C(F)(F)F ZINC000543184597 1008758223 /nfs/dbraw/zinc/75/82/23/1008758223.db2.gz BYUAMRIIZMBNLI-LBPRGKRZSA-N 0 1 402.394 3.738 20 5 HHBDMN Cc1sc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000545939016 1009009095 /nfs/dbraw/zinc/00/90/95/1009009095.db2.gz WEPWLTOWRFBYHA-CQSZACIVSA-N 0 1 406.489 3.675 20 5 HHBDMN CCOC(=O)c1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000519937084 1009091351 /nfs/dbraw/zinc/09/13/51/1009091351.db2.gz ZEGMUIAWVHGFKE-LJQANCHMSA-N 0 1 422.441 3.934 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c1C ZINC000519961608 1009107772 /nfs/dbraw/zinc/10/77/72/1009107772.db2.gz LZHYWVGMRWHGQY-SFHVURJKSA-N 0 1 406.460 3.570 20 5 HHBDMN Cc1cc(C2CCN(C(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000546157517 1009189519 /nfs/dbraw/zinc/18/95/19/1009189519.db2.gz MHNWDVKTUJMEHQ-OAHLLOKOSA-N 0 1 411.506 3.882 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000520038032 1009197497 /nfs/dbraw/zinc/19/74/97/1009197497.db2.gz YFMBDJKGWBCLHW-UHFFFAOYSA-N 0 1 417.487 3.584 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000543594839 1009200419 /nfs/dbraw/zinc/20/04/19/1009200419.db2.gz PKGOXRVKAIILJV-MRXNPFEDSA-N 0 1 412.920 3.849 20 5 HHBDMN CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000546177275 1009207348 /nfs/dbraw/zinc/20/73/48/1009207348.db2.gz MLOVFKGCGZTGIB-KRWDZBQOSA-N 0 1 423.922 3.533 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2cc(-c3ccccc3)cs2)cc1 ZINC000543621407 1009226653 /nfs/dbraw/zinc/22/66/53/1009226653.db2.gz OYKVKJJSMLFKRW-UHFFFAOYSA-N 0 1 402.497 3.887 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000543645028 1009249832 /nfs/dbraw/zinc/24/98/32/1009249832.db2.gz XJNFQBHEKOEOPS-GJZGRUSLSA-N 0 1 419.503 3.626 20 5 HHBDMN CCN1CCN(c2ccc(-c3noc(/C=C(\C)c4ccc([N+](=O)[O-])cc4)n3)cn2)CC1 ZINC000546396197 1009406857 /nfs/dbraw/zinc/40/68/57/1009406857.db2.gz ZJVJNYGZEZGQLP-JQIJEIRASA-N 0 1 420.473 3.742 20 5 HHBDMN C[C@@H]1C[C@H]1c1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000546475122 1009495625 /nfs/dbraw/zinc/49/56/25/1009495625.db2.gz RCYOOTCFRWWFFG-BDJLRTHQSA-N 0 1 400.416 3.569 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000543910596 1009496720 /nfs/dbraw/zinc/49/67/20/1009496720.db2.gz MAMFDLKUUCLKOB-UHFFFAOYSA-N 0 1 416.402 3.860 20 5 HHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000543921624 1009513031 /nfs/dbraw/zinc/51/30/31/1009513031.db2.gz BZRDINBRPBVZLD-INIZCTEOSA-N 0 1 420.347 3.704 20 5 HHBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000520445581 1009558629 /nfs/dbraw/zinc/55/86/29/1009558629.db2.gz DVWAKVAYSOJQKI-INIZCTEOSA-N 0 1 417.893 3.750 20 5 HHBDMN COc1ccccc1[C@@H](CC(C)C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544117778 1009726699 /nfs/dbraw/zinc/72/66/99/1009726699.db2.gz SDOIIWAALBIUSY-LJQANCHMSA-N 0 1 406.504 3.754 20 5 HHBDMN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(C)(C)C ZINC000520666617 1009736596 /nfs/dbraw/zinc/73/65/96/1009736596.db2.gz YCFSYIRYRUAJSL-GOSISDBHSA-N 0 1 419.503 3.950 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nnc(CNC3(Cc4cccc(F)c4)CCOCC3)o2)cc1 ZINC000550274701 1009824800 /nfs/dbraw/zinc/82/48/00/1009824800.db2.gz QVMHYUBFUQJYNL-UHFFFAOYSA-N 0 1 412.421 3.665 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000544368838 1009997193 /nfs/dbraw/zinc/99/71/93/1009997193.db2.gz SVTFJMQBODVTNE-AWEZNQCLSA-N 0 1 405.882 3.784 20 5 HHBDMN Cc1c([C@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cnn1-c1ccc(F)cc1 ZINC000544431584 1010054478 /nfs/dbraw/zinc/05/44/78/1010054478.db2.gz CPBPQJVQQIFMNI-AWEZNQCLSA-N 0 1 411.437 3.826 20 5 HHBDMN CC(C)c1nccn1Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000521285739 1010279086 /nfs/dbraw/zinc/27/90/86/1010279086.db2.gz CRZSGSSDPOKDLR-UHFFFAOYSA-N 0 1 400.460 3.764 20 5 HHBDMN O=[N+]([O-])c1ccccc1-c1nc(-c2nc(-c3cccc(Br)c3)n[nH]2)no1 ZINC000551070714 1010347967 /nfs/dbraw/zinc/34/79/67/1010347967.db2.gz DMIXTAJPSNVRNR-UHFFFAOYSA-N 0 1 413.191 3.859 20 5 HHBDMN CC(C)(C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000545167107 1010663074 /nfs/dbraw/zinc/66/30/74/1010663074.db2.gz OLFRTJYOJNRWIZ-UHFFFAOYSA-N 0 1 417.456 3.931 20 5 HHBDMN CCOc1ccc2nc(SCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)[nH]c2c1 ZINC000522686151 1011158700 /nfs/dbraw/zinc/15/87/00/1011158700.db2.gz LVIQPBWSSFWBMW-UHFFFAOYSA-N 0 1 414.443 3.960 20 5 HHBDMN C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000522897298 1011342156 /nfs/dbraw/zinc/34/21/56/1011342156.db2.gz AQIDCOCTSDQJAZ-CYBMUJFWSA-N 0 1 420.872 3.630 20 5 HHBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000536232055 1011380953 /nfs/dbraw/zinc/38/09/53/1011380953.db2.gz IEOHDZPSYGMYCZ-UHFFFAOYSA-N 0 1 420.473 3.512 20 5 HHBDMN O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cc2ccccc2c2cccnc12 ZINC000536351088 1011557739 /nfs/dbraw/zinc/55/77/39/1011557739.db2.gz PEHSTKLBUBHJSZ-RTWAWAEBSA-N 0 1 411.505 3.753 20 5 HHBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCSc2ccc(Br)cc21 ZINC000536377569 1011586116 /nfs/dbraw/zinc/58/61/16/1011586116.db2.gz HKTWLFIMAVYURY-HNNXBMFYSA-N 0 1 424.320 3.688 20 5 HHBDMN O=C([O-])CCCCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000541268954 1011958289 /nfs/dbraw/zinc/95/82/89/1011958289.db2.gz ZSYVSBCQXWDWOA-UHFFFAOYSA-N 0 1 403.504 3.696 20 5 HHBDMN C[C@@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000551816164 1011972727 /nfs/dbraw/zinc/97/27/27/1011972727.db2.gz GTSKKMHNBBHEIT-JLCFBVMHSA-N 0 1 408.458 3.671 20 5 HHBDMN CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000523522887 1012048942 /nfs/dbraw/zinc/04/89/42/1012048942.db2.gz HTWYCTRYCSXPIF-CHWSQXEVSA-N 0 1 405.476 3.819 20 5 HHBDMN CN(C)[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000552045937 1012066095 /nfs/dbraw/zinc/06/60/95/1012066095.db2.gz TYDHPEAAMKWFDD-VQTJNVASSA-N 0 1 413.909 3.964 20 5 HHBDMN CC(C)Oc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000536901181 1012160593 /nfs/dbraw/zinc/16/05/93/1012160593.db2.gz RNUKOROIBMNDHY-UHFFFAOYSA-N 0 1 402.375 3.784 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN([C@H]4CCN(c5cccc([N+](=O)[O-])c5)C4=O)C3)[nH]c2c1 ZINC000537018313 1012322700 /nfs/dbraw/zinc/32/27/00/1012322700.db2.gz RRQSMGWWUOSHLJ-KKSFZXQISA-N 0 1 419.485 3.764 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000537031866 1012345628 /nfs/dbraw/zinc/34/56/28/1012345628.db2.gz LOLPQTUYVZGPDW-OAHLLOKOSA-N 0 1 419.503 3.636 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000537031865 1012345980 /nfs/dbraw/zinc/34/59/80/1012345980.db2.gz LOLPQTUYVZGPDW-HNNXBMFYSA-N 0 1 419.503 3.636 20 5 HHBDMN O=C1NCCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1Cc1ccccc1 ZINC000552357649 1012366365 /nfs/dbraw/zinc/36/63/65/1012366365.db2.gz KYTMCIFIGMHTHQ-OAQYLSRUSA-N 0 1 405.454 3.788 20 5 HHBDMN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000537049671 1012373596 /nfs/dbraw/zinc/37/35/96/1012373596.db2.gz NTPFJOZMTLQMSP-HNNXBMFYSA-N 0 1 406.442 3.519 20 5 HHBDMN CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000523757348 1012383520 /nfs/dbraw/zinc/38/35/20/1012383520.db2.gz GEZTVBFHDHOING-IEBWSBKVSA-N 0 1 417.531 3.749 20 5 HHBDMN CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000523757348 1012383539 /nfs/dbraw/zinc/38/35/39/1012383539.db2.gz GEZTVBFHDHOING-IEBWSBKVSA-N 0 1 417.531 3.749 20 5 HHBDMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000541602659 1012400384 /nfs/dbraw/zinc/40/03/84/1012400384.db2.gz FXMYBRCZZQIFHR-CMPLNLGQSA-N 0 1 413.400 3.648 20 5 HHBDMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000541602661 1012400416 /nfs/dbraw/zinc/40/04/16/1012400416.db2.gz FXMYBRCZZQIFHR-PWSUYJOCSA-N 0 1 413.400 3.648 20 5 HHBDMN CCOc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000537064742 1012402057 /nfs/dbraw/zinc/40/20/57/1012402057.db2.gz NEOCMBOJJREEJZ-GFCCVEGCSA-N 0 1 407.854 3.945 20 5 HHBDMN C[C@@H](c1ccccc1)[NH+]1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000523864330 1012561187 /nfs/dbraw/zinc/56/11/87/1012561187.db2.gz NAAPEGYKKURYPD-AWEZNQCLSA-N 0 1 423.922 3.752 20 5 HHBDMN COc1cc(C)c([C@H](C)NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000537175571 1012582293 /nfs/dbraw/zinc/58/22/93/1012582293.db2.gz QDSJXOABRPQBDZ-CVEARBPZSA-N 0 1 415.490 3.757 20 5 HHBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 ZINC000541740327 1012596446 /nfs/dbraw/zinc/59/64/46/1012596446.db2.gz YOGFMWUEPAIFEU-GFCCVEGCSA-N 0 1 418.393 3.618 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2-c2nncn2C(C)C)c1 ZINC000541783657 1012654139 /nfs/dbraw/zinc/65/41/39/1012654139.db2.gz LVSIHTOPGUWJQV-UHFFFAOYSA-N 0 1 415.475 3.852 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000541813926 1012701191 /nfs/dbraw/zinc/70/11/91/1012701191.db2.gz NBOPLARJCAOIOA-DNVCBOLYSA-N 0 1 423.560 3.635 20 5 HHBDMN COc1ccc(Cc2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)cc1OC ZINC000904481042 1071777649 /nfs/dbraw/zinc/77/76/49/1071777649.db2.gz VMPXSSRCBGRPOF-UHFFFAOYSA-N 0 1 407.386 3.643 20 5 HHBDMN Cc1cccc(N2CCN(CCCc3nc(-c4cccs4)no3)CC2)c1[N+](=O)[O-] ZINC000614974384 1072012226 /nfs/dbraw/zinc/01/22/26/1072012226.db2.gz ZEINMRFDXVJCPE-UHFFFAOYSA-N 0 1 413.503 3.770 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1[N+](=O)[O-] ZINC000488241958 1072158058 /nfs/dbraw/zinc/15/80/58/1072158058.db2.gz GLASPXGXYLLRTL-UHFFFAOYSA-N 0 1 407.379 3.562 20 5 HHBDMN COc1cc(CN2CC[C@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000570885242 1072401233 /nfs/dbraw/zinc/40/12/33/1072401233.db2.gz ABDBRBMFFNITHK-SFHVURJKSA-N 0 1 422.485 3.905 20 5 HHBDMN CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000760652199 1072478960 /nfs/dbraw/zinc/47/89/60/1072478960.db2.gz CLJZKDIGCKATPP-QGZVFWFLSA-N 0 1 412.446 3.548 20 5 HHBDMN Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C[NH+]3CCSCC3)c2)c1[N+](=O)[O-] ZINC000479135426 1072745670 /nfs/dbraw/zinc/74/56/70/1072745670.db2.gz QJHDVHAYRGEARV-UHFFFAOYSA-N 0 1 421.544 3.561 20 5 HHBDMN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000555263822 1073296328 /nfs/dbraw/zinc/29/63/28/1073296328.db2.gz OXGBGLLJBBVAHH-ZDUSSCGKSA-N 0 1 407.392 3.790 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000589960622 1073405505 /nfs/dbraw/zinc/40/55/05/1073405505.db2.gz MYOWWJMNGXQQIX-KRWDZBQOSA-N 0 1 410.392 3.528 20 5 HHBDMN COCCN(Cc1ccc(Br)s1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555461183 1073507904 /nfs/dbraw/zinc/50/79/04/1073507904.db2.gz SPWHNDFADCGBSO-UHFFFAOYSA-N 0 1 401.282 3.773 20 5 HHBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 ZINC000574073111 1075159445 /nfs/dbraw/zinc/15/94/45/1075159445.db2.gz VHHVTJITNRXDQA-CYBMUJFWSA-N 0 1 417.418 3.961 20 5 HHBDMN Cc1nc(CN2CCCC23CCN(c2cnc4ccc([N+](=O)[O-])cc4n2)CC3)cs1 ZINC001164691024 719804587 /nfs/dbraw/zinc/80/45/87/719804587.db2.gz CSDPJPDJLVUBMV-UHFFFAOYSA-N 0 1 424.530 3.938 20 5 HHBDMN Cc1nc(CN2CCCC23CCN(c2ncnc4cccc([N+](=O)[O-])c42)CC3)cs1 ZINC001164702616 719815661 /nfs/dbraw/zinc/81/56/61/719815661.db2.gz SLVZGOSYNAZZPY-UHFFFAOYSA-N 0 1 424.530 3.938 20 5 HHBDMN Cc1ccc(CN2CCOC3(CCN(c4ncc([N+](=O)[O-])c(C)c4C)CC3)C2)cc1 ZINC001164939888 721927442 /nfs/dbraw/zinc/92/74/42/721927442.db2.gz OYQRKADUWWPCGF-UHFFFAOYSA-N 0 1 410.518 3.786 20 5 HHBDMN COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000301325852 970868649 /nfs/dbraw/zinc/86/86/49/970868649.db2.gz ARLWSDKXIRRBMR-HUUCEWRRSA-N 0 1 403.454 3.964 20 5 HHBDMN C[C@H]1CN(Cc2ccccc2)CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000301490997 970954964 /nfs/dbraw/zinc/95/49/64/970954964.db2.gz BGEUPXAREAMLPA-AWEZNQCLSA-N 0 1 405.296 3.853 20 5 HHBDMN O=[N+]([O-])c1cnc2ccc(N3CCN(C4c5ccccc5-c5ccccc54)CC3)nn21 ZINC000301951863 971131125 /nfs/dbraw/zinc/13/11/25/971131125.db2.gz JCVWNOKFTQNCPR-UHFFFAOYSA-N 0 1 412.453 3.530 20 5 HHBDMN COC(=O)c1cc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc(C)c1[N+](=O)[O-] ZINC000301955430 971131989 /nfs/dbraw/zinc/13/19/89/971131989.db2.gz KPAFXCUAQIFIQC-QGZVFWFLSA-N 0 1 407.430 3.816 20 5 HHBDMN COC(=O)c1cc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc(C)c1[N+](=O)[O-] ZINC000301955430 971131993 /nfs/dbraw/zinc/13/19/93/971131993.db2.gz KPAFXCUAQIFIQC-QGZVFWFLSA-N 0 1 407.430 3.816 20 5 HHBDMN CC(C)NC(=O)c1ccc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000301975605 971138721 /nfs/dbraw/zinc/13/87/21/971138721.db2.gz VVCGPZODLGDYTE-SFHVURJKSA-N 0 1 420.473 3.860 20 5 HHBDMN CC(C)NC(=O)c1ccc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000301975605 971138727 /nfs/dbraw/zinc/13/87/27/971138727.db2.gz VVCGPZODLGDYTE-SFHVURJKSA-N 0 1 420.473 3.860 20 5 HHBDMN O=C(N[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC000302051319 971162560 /nfs/dbraw/zinc/16/25/60/971162560.db2.gz OWSZRDILBCHCAF-IRXDYDNUSA-N 0 1 411.355 3.775 20 5 HHBDMN Cc1nc2ccc(NS(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc2o1 ZINC000553102345 1013067590 /nfs/dbraw/zinc/06/75/90/1013067590.db2.gz MHRUZZFUNIEBHF-UHFFFAOYSA-N 0 1 412.221 3.608 20 5 HHBDMN COc1ccc(-c2n[nH]c(Sc3ccc([N+](=O)[O-])cn3)n2)cc1Br ZINC000302624886 971265843 /nfs/dbraw/zinc/26/58/43/971265843.db2.gz AQAAMTHALFDKHP-UHFFFAOYSA-N 0 1 408.237 3.697 20 5 HHBDMN CC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000524314316 1013130411 /nfs/dbraw/zinc/13/04/11/1013130411.db2.gz NDQWNTZVQSNLNP-AWEZNQCLSA-N 0 1 404.423 3.554 20 5 HHBDMN Cc1[nH]c2ccccc2c1C1=CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542208984 1013153541 /nfs/dbraw/zinc/15/35/41/1013153541.db2.gz NABSLEZOSZSSQG-GOSISDBHSA-N 0 1 407.470 3.914 20 5 HHBDMN C[C@H](N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000524339655 1013165572 /nfs/dbraw/zinc/16/55/72/1013165572.db2.gz CNGKJJRSLTVDKQ-SJCJKPOMSA-N 0 1 409.364 3.950 20 5 HHBDMN COc1ccc(OCCSc2nc(-c3cc(F)cc(F)c3)n[nH]2)c([N+](=O)[O-])c1 ZINC000303889243 972429704 /nfs/dbraw/zinc/42/97/04/972429704.db2.gz JZBXSUPIZAZSTJ-UHFFFAOYSA-N 0 1 408.386 3.838 20 5 HHBDMN COc1ccc(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)c([N+](=O)[O-])c1 ZINC000004492639 960597113 /nfs/dbraw/zinc/59/71/13/960597113.db2.gz VIYPDJKPZBCERS-UHFFFAOYSA-N 0 1 412.471 3.957 20 5 HHBDMN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000542256722 1013216812 /nfs/dbraw/zinc/21/68/12/1013216812.db2.gz ZIJUCYBYXYYMQF-INIZCTEOSA-N 0 1 414.430 3.711 20 5 HHBDMN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000008033579 961407074 /nfs/dbraw/zinc/40/70/74/961407074.db2.gz CHXVTHXKZCARES-KUHUBIRLSA-N 0 1 417.487 3.704 20 5 HHBDMN Cc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000008207284 961476880 /nfs/dbraw/zinc/47/68/80/961476880.db2.gz YOGDFECFULASMC-UHFFFAOYSA-N 0 1 411.439 3.956 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(CCC2CCCC2)n1 ZINC000012104512 962239429 /nfs/dbraw/zinc/23/94/29/962239429.db2.gz XPQSRAIUXPXORY-UHFFFAOYSA-N 0 1 405.480 3.575 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000012104512 962239442 /nfs/dbraw/zinc/23/94/42/962239442.db2.gz XPQSRAIUXPXORY-UHFFFAOYSA-N 0 1 405.480 3.575 20 5 HHBDMN COc1ccc(NC(=O)[C@H](C)Sc2nc(CCC3CCCC3)n[nH]2)c([N+](=O)[O-])c1 ZINC000012104961 962239848 /nfs/dbraw/zinc/23/98/48/962239848.db2.gz BAKRQOIHYAJEDA-LBPRGKRZSA-N 0 1 419.507 3.964 20 5 HHBDMN COc1ccc(NC(=O)[C@H](C)Sc2n[nH]c(CCC3CCCC3)n2)c([N+](=O)[O-])c1 ZINC000012104961 962239865 /nfs/dbraw/zinc/23/98/65/962239865.db2.gz BAKRQOIHYAJEDA-LBPRGKRZSA-N 0 1 419.507 3.964 20 5 HHBDMN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000014205447 962445051 /nfs/dbraw/zinc/44/50/51/962445051.db2.gz BYHMDDBYCUSEPT-UHFFFAOYSA-N 0 1 417.365 3.681 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000015348573 962729861 /nfs/dbraw/zinc/72/98/61/962729861.db2.gz YHXICYWZYVYFLE-UHFFFAOYSA-N 0 1 411.439 3.956 20 5 HHBDMN CN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000015349363 962730432 /nfs/dbraw/zinc/73/04/32/962730432.db2.gz XZABXIZQJZUZHO-UHFFFAOYSA-N 0 1 411.439 3.672 20 5 HHBDMN O=C(Nc1ccccc1F)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000015422157 962757904 /nfs/dbraw/zinc/75/79/04/962757904.db2.gz OMGCVWPYVUSDPA-UHFFFAOYSA-N 0 1 415.402 3.787 20 5 HHBDMN O=C(Nc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000015439591 962762473 /nfs/dbraw/zinc/76/24/73/962762473.db2.gz KQEHLNOMPYDXFB-UHFFFAOYSA-N 0 1 415.402 3.787 20 5 HHBDMN Cc1c(Br)c(NCc2nc(-c3ccc(F)cc3)n[nH]2)ncc1[N+](=O)[O-] ZINC000542519046 1013462286 /nfs/dbraw/zinc/46/22/86/1013462286.db2.gz DIEQSQDWBDSNAG-UHFFFAOYSA-N 0 1 407.203 3.597 20 5 HHBDMN Cc1c(Br)c(NCc2n[nH]c(-c3ccc(F)cc3)n2)ncc1[N+](=O)[O-] ZINC000542519046 1013462296 /nfs/dbraw/zinc/46/22/96/1013462296.db2.gz DIEQSQDWBDSNAG-UHFFFAOYSA-N 0 1 407.203 3.597 20 5 HHBDMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000542531737 1013475071 /nfs/dbraw/zinc/47/50/71/1013475071.db2.gz GCWHIKHKSIBXDP-NSHDSACASA-N 0 1 413.400 3.568 20 5 HHBDMN CCOc1ccc2nc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)[nH]c2c1 ZINC000026358469 964538290 /nfs/dbraw/zinc/53/82/90/964538290.db2.gz OBUVEMWKOJQSIR-UHFFFAOYSA-N 0 1 416.459 3.999 20 5 HHBDMN CN(CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)Cc1ccccc1[N+](=O)[O-] ZINC000052589539 964935354 /nfs/dbraw/zinc/93/53/54/964935354.db2.gz BWENKMZMHWWEKL-UHFFFAOYSA-N 0 1 407.352 3.560 20 5 HHBDMN COc1ccc(CN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000053097629 965060343 /nfs/dbraw/zinc/06/03/43/965060343.db2.gz USXYMRDLDONABL-HNNXBMFYSA-N 0 1 413.474 3.851 20 5 HHBDMN CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000028491991 965118446 /nfs/dbraw/zinc/11/84/46/965118446.db2.gz OCUKNBSSIBTDCS-UHFFFAOYSA-N 0 1 405.476 3.658 20 5 HHBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000053523925 965204209 /nfs/dbraw/zinc/20/42/09/965204209.db2.gz MJZBPMGCWYOWOO-UHFFFAOYSA-N 0 1 415.413 3.639 20 5 HHBDMN CC[C@H](C)[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000057301104 965392139 /nfs/dbraw/zinc/39/21/39/965392139.db2.gz CDYCSAYILPMMRC-UONOGXRCSA-N 0 1 405.476 3.560 20 5 HHBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000054644513 965592191 /nfs/dbraw/zinc/59/21/91/965592191.db2.gz KFCUYLFLOZCLLT-UHFFFAOYSA-N 0 1 416.909 3.755 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2cccc(Oc3ccccc3)c2)cc1 ZINC000542691232 1013610600 /nfs/dbraw/zinc/61/06/00/1013610600.db2.gz FJQPICMBRUSVFT-UHFFFAOYSA-N 0 1 412.467 3.951 20 5 HHBDMN COc1ccc([C@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000060063758 966055859 /nfs/dbraw/zinc/05/58/59/966055859.db2.gz GVDRYLLGDSHJCK-NRFANRHFSA-N 0 1 413.474 3.569 20 5 HHBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000061160720 966385275 /nfs/dbraw/zinc/38/52/75/966385275.db2.gz FTVHUIHIIASCJX-UHFFFAOYSA-N 0 1 408.393 3.811 20 5 HHBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000538119339 1013680862 /nfs/dbraw/zinc/68/08/62/1013680862.db2.gz FPKZAIAZGFRPSX-GFCCVEGCSA-N 0 1 409.389 3.884 20 5 HHBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000538120006 1013682494 /nfs/dbraw/zinc/68/24/94/1013682494.db2.gz KGAVAHJDOBIZJO-RYUDHWBXSA-N 0 1 409.389 3.883 20 5 HHBDMN COc1cc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC ZINC000538122710 1013684861 /nfs/dbraw/zinc/68/48/61/1013684861.db2.gz NHPPBLZLSWUQHJ-NSHDSACASA-N 0 1 423.853 3.563 20 5 HHBDMN Cn1ccnc1C(=O)c1ccc(NC[C@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000064113134 967051253 /nfs/dbraw/zinc/05/12/53/967051253.db2.gz KYOXBLXDGKGVFN-OAQYLSRUSA-N 0 1 419.485 3.808 20 5 HHBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000064724281 967276024 /nfs/dbraw/zinc/27/60/24/967276024.db2.gz GOQODQCMPNBBQG-MAUKXSAKSA-N 0 1 417.893 3.796 20 5 HHBDMN COc1cc([C@@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C ZINC000538167147 1013727549 /nfs/dbraw/zinc/72/75/49/1013727549.db2.gz LEGKRKLHEDEGMU-MRXNPFEDSA-N 0 1 415.490 3.952 20 5 HHBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000045941944 967603268 /nfs/dbraw/zinc/60/32/68/967603268.db2.gz NYOZWMOLNOETLO-UHFFFAOYSA-N 0 1 410.474 3.591 20 5 HHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000538181173 1013739660 /nfs/dbraw/zinc/73/96/60/1013739660.db2.gz SWVYLHHLPPPIBP-NVXWUHKLSA-N 0 1 402.344 3.757 20 5 HHBDMN C[C@@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000538231714 1013780651 /nfs/dbraw/zinc/78/06/51/1013780651.db2.gz VCUUXWFKHUMIMW-QWHCGFSZSA-N 0 1 414.853 3.507 20 5 HHBDMN C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-c2ccncc2)cc1 ZINC000538235074 1013783960 /nfs/dbraw/zinc/78/39/60/1013783960.db2.gz VZPYZVAOPZOIJD-AWEZNQCLSA-N 0 1 420.425 3.675 20 5 HHBDMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c1 ZINC000554083216 1013791113 /nfs/dbraw/zinc/79/11/13/1013791113.db2.gz SGZKHTHZYMDHRH-UHFFFAOYSA-N 0 1 416.503 3.849 20 5 HHBDMN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000538275806 1013814500 /nfs/dbraw/zinc/81/45/00/1013814500.db2.gz BQLZEUODYYTRFM-INIZCTEOSA-N 0 1 412.490 3.675 20 5 HHBDMN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000111040308 969765427 /nfs/dbraw/zinc/76/54/27/969765427.db2.gz BREXENDOKISPNP-UHFFFAOYSA-N 0 1 411.437 3.627 20 5 HHBDMN O=C(NCc1ccc(Br)cc1Cl)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000195712312 969975542 /nfs/dbraw/zinc/97/55/42/969975542.db2.gz HSEWGXJNCWCLPF-UHFFFAOYSA-N 0 1 409.627 3.817 20 5 HHBDMN CS(=O)(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000201371233 970004556 /nfs/dbraw/zinc/00/45/56/970004556.db2.gz RXZVRABPUORXGQ-AYHJJNSGSA-N 0 1 415.515 3.606 20 5 HHBDMN COCCOc1cc(C)ccc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237097159 970221147 /nfs/dbraw/zinc/22/11/47/970221147.db2.gz OTCFFZWFCZPMDA-UHFFFAOYSA-N 0 1 410.474 3.619 20 5 HHBDMN COc1cc(CNCc2cccc(N(C)C)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237113753 970224743 /nfs/dbraw/zinc/22/47/43/970224743.db2.gz CPFNQVDXXXMGAB-UHFFFAOYSA-N 0 1 413.396 3.900 20 5 HHBDMN COc1ccc(CN[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000237353887 970269045 /nfs/dbraw/zinc/26/90/45/970269045.db2.gz QCNJOAPYRZFBEP-HXUWFJFHSA-N 0 1 405.454 3.943 20 5 HHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(F)cc1Br ZINC000146010261 970278272 /nfs/dbraw/zinc/27/82/72/970278272.db2.gz QEPNTFQRSVKSLR-UHFFFAOYSA-N 0 1 409.620 3.951 20 5 HHBDMN COc1ccc(-c2ccc(CNCc3ccnc(-n4cccn4)c3)o2)c([N+](=O)[O-])c1 ZINC000237421997 970282436 /nfs/dbraw/zinc/28/24/36/970282436.db2.gz DWRCKVWPHYNGSN-UHFFFAOYSA-N 0 1 405.414 3.734 20 5 HHBDMN COc1ccc(-c2ccc(CNCCNC(=O)c3ccc(C)cc3)o2)c([N+](=O)[O-])c1 ZINC000237426981 970283914 /nfs/dbraw/zinc/28/39/14/970283914.db2.gz YEVXPHXPBKUCCP-UHFFFAOYSA-N 0 1 409.442 3.691 20 5 HHBDMN Cc1cc(C)c(NC(=O)CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000237916494 970393811 /nfs/dbraw/zinc/39/38/11/970393811.db2.gz RQDDNAQNLWMAGB-UHFFFAOYSA-N 0 1 407.474 3.649 20 5 HHBDMN CCCOc1ccc([C@@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000261395979 970649918 /nfs/dbraw/zinc/64/99/18/970649918.db2.gz JERUSFIWOFOFKZ-DNVCBOLYSA-N 0 1 413.474 3.848 20 5 HHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC000426261065 974354460 /nfs/dbraw/zinc/35/44/60/974354460.db2.gz NUXLZBFNEMEUSM-UWVGGRQHSA-N 0 1 414.388 3.806 20 5 HHBDMN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000427772610 975280503 /nfs/dbraw/zinc/28/05/03/975280503.db2.gz VXNHWZUIWQRTQU-UHFFFAOYSA-N 0 1 412.851 3.843 20 5 HHBDMN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000427804563 975299323 /nfs/dbraw/zinc/29/93/23/975299323.db2.gz NIVGAZBBZRNXGW-UHFFFAOYSA-N 0 1 415.409 3.507 20 5 HHBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nc2cc(Cl)ccc2n1C ZINC000427864255 975327222 /nfs/dbraw/zinc/32/72/22/975327222.db2.gz DSHBDULVDBOTCT-GFCCVEGCSA-N 0 1 401.854 3.642 20 5 HHBDMN O=C(NCc1cc(Br)ccc1OC(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428023091 975391592 /nfs/dbraw/zinc/39/15/92/975391592.db2.gz OMDIERNEMWAHBM-UHFFFAOYSA-N 0 1 417.162 3.594 20 5 HHBDMN NC(=O)c1ccc(CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)c(F)c1 ZINC000428815436 976094674 /nfs/dbraw/zinc/09/46/74/976094674.db2.gz JDJSGZGEPXBJOR-UHFFFAOYSA-N 0 1 424.432 3.695 20 5 HHBDMN COc1ccc(NC(=O)CCN2CCC(c3ncccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000429211323 976504966 /nfs/dbraw/zinc/50/49/66/976504966.db2.gz DOFUNQWYBNSPCH-UHFFFAOYSA-N 0 1 418.881 3.860 20 5 HHBDMN O=C(Nc1cc(C(F)(F)F)n[nH]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000429263497 976552212 /nfs/dbraw/zinc/55/22/12/976552212.db2.gz MEVMPCWUIVAKKG-UHFFFAOYSA-N 0 1 406.320 4.168 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000429914295 977189139 /nfs/dbraw/zinc/18/91/39/977189139.db2.gz OMTHEPFPYFSEOM-HXUWFJFHSA-N 0 1 411.502 3.834 20 5 HHBDMN Cc1cc(OCC(=O)Nc2cccc(CN3CCSCC3)c2C)ccc1[N+](=O)[O-] ZINC000430420234 977533777 /nfs/dbraw/zinc/53/37/77/977533777.db2.gz WGWNCFLJJVSRLK-UHFFFAOYSA-N 0 1 415.515 3.778 20 5 HHBDMN Cc1cc(OCC(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000430549877 977626281 /nfs/dbraw/zinc/62/62/81/977626281.db2.gz YDLUXFZYWTVEHV-UHFFFAOYSA-N 0 1 403.398 3.859 20 5 HHBDMN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCCN(Cc2ccccc2)CC1 ZINC000431772164 978500475 /nfs/dbraw/zinc/50/04/75/978500475.db2.gz KRCGZFGQFIHFKO-UHFFFAOYSA-N 0 1 418.291 3.705 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1C ZINC000431915289 978597984 /nfs/dbraw/zinc/59/79/84/978597984.db2.gz AGZGIEMKPSBHKK-HKUYNNGSSA-N 0 1 417.531 3.543 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000432463533 978825769 /nfs/dbraw/zinc/82/57/69/978825769.db2.gz KPJNREKAACCTNP-UHFFFAOYSA-N 0 1 414.443 3.940 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)c2C)o1 ZINC000434500782 980214269 /nfs/dbraw/zinc/21/42/69/980214269.db2.gz DJKBDMSGQUARSV-UHFFFAOYSA-N 0 1 409.427 4.571 20 5 HHBDMN COC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000436164980 981229575 /nfs/dbraw/zinc/22/95/75/981229575.db2.gz WKJCLWHBQPLEQR-CYBMUJFWSA-N 0 1 423.249 3.707 20 5 HHBDMN CCOC(=O)c1cc(S(=O)(=O)Nc2cc3[nH]ccc3cc2C)cc([N+](=O)[O-])c1C ZINC000436179933 981237892 /nfs/dbraw/zinc/23/78/92/981237892.db2.gz KTXXEVVZLMCYJE-UHFFFAOYSA-N 0 1 417.443 3.670 20 5 HHBDMN C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(C)CC1 ZINC000436320417 981297019 /nfs/dbraw/zinc/29/70/19/981297019.db2.gz VVBBFYGHFCNDLA-CQSZACIVSA-N 0 1 413.468 3.810 20 5 HHBDMN COc1cc(C=Cc2nc(=O)c3cc(Br)sc3[nH]2)cc([N+](=O)[O-])c1O ZINC000436818011 981575264 /nfs/dbraw/zinc/57/52/64/981575264.db2.gz TXLJWBUVBDGLOF-IHWYPQMZSA-N 0 1 424.232 3.952 20 5 HHBDMN O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436952557 981642756 /nfs/dbraw/zinc/64/27/56/981642756.db2.gz XWXMBPUHEUNYKD-UHFFFAOYSA-N 0 1 423.391 3.714 20 5 HHBDMN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000436982525 981666033 /nfs/dbraw/zinc/66/60/33/981666033.db2.gz UUBXESUMFFQLEI-QGZVFWFLSA-N 0 1 421.457 3.505 20 5 HHBDMN Cn1nc(-c2cccs2)nc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000448467257 981803378 /nfs/dbraw/zinc/80/33/78/981803378.db2.gz PYZTXMWKAQSHFB-UHFFFAOYSA-N 0 1 414.266 3.528 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2noc(-c3ccccc3)c2Br)cc1 ZINC000448538276 981866862 /nfs/dbraw/zinc/86/68/62/981866862.db2.gz OCJBPVBSPXFNRW-UHFFFAOYSA-N 0 1 424.232 3.813 20 5 HHBDMN C[C@@H](O)CN1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000438258787 982685578 /nfs/dbraw/zinc/68/55/78/982685578.db2.gz LELBMCZTYUOCNX-OAHLLOKOSA-N 0 1 405.882 3.539 20 5 HHBDMN COC(=O)c1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc([N+](=O)[O-])c1 ZINC000438718289 983023659 /nfs/dbraw/zinc/02/36/59/983023659.db2.gz CQYRZJAVLSLENR-UHFFFAOYSA-N 0 1 412.423 3.849 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000439140637 983270011 /nfs/dbraw/zinc/27/00/11/983270011.db2.gz PFEHBECPICEWNM-UHFFFAOYSA-N 0 1 402.882 3.951 20 5 HHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000439186598 983298277 /nfs/dbraw/zinc/29/82/77/983298277.db2.gz HPBRFTVXTPVQOX-UHFFFAOYSA-N 0 1 417.385 3.560 20 5 HHBDMN CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000439489259 983427496 /nfs/dbraw/zinc/42/74/96/983427496.db2.gz BMGNDHOAJQAVLK-YCRPNKLZSA-N 0 1 414.462 3.589 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000440084047 983637654 /nfs/dbraw/zinc/63/76/54/983637654.db2.gz VHFXTZLPDXWMPX-UHFFFAOYSA-N 0 1 415.393 3.582 20 5 HHBDMN Cc1nn(CCC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000440741155 983880476 /nfs/dbraw/zinc/88/04/76/983880476.db2.gz POUJZIAEOKTCEX-INIZCTEOSA-N 0 1 416.869 3.692 20 5 HHBDMN C[C@@H](O)CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441242765 984134350 /nfs/dbraw/zinc/13/43/50/984134350.db2.gz VJLVEPILZYOHMC-HZPDHXFCSA-N 0 1 419.909 3.525 20 5 HHBDMN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cn(C)nc1C(F)(F)F ZINC000441648837 984373466 /nfs/dbraw/zinc/37/34/66/984373466.db2.gz XFZJVGZWTLIXQX-UHFFFAOYSA-N 0 1 409.368 3.677 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1cccc(F)c1F ZINC000462142694 985113281 /nfs/dbraw/zinc/11/32/81/985113281.db2.gz UZETWGNVNKLVLQ-UHFFFAOYSA-N 0 1 411.213 3.701 20 5 HHBDMN CCc1nc(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])sc1C ZINC000462161936 985136748 /nfs/dbraw/zinc/13/67/48/985136748.db2.gz FFUJUEZQZARUKS-UHFFFAOYSA-N 0 1 424.331 3.750 20 5 HHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(Br)c2)c2cccnc21 ZINC000462360492 985347842 /nfs/dbraw/zinc/34/78/42/985347842.db2.gz PUDUCDBTDYVBJA-UHFFFAOYSA-N 0 1 408.233 3.706 20 5 HHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000462412760 985387823 /nfs/dbraw/zinc/38/78/23/985387823.db2.gz HLTMOMAYWMNLTH-LJQANCHMSA-N 0 1 410.518 3.862 20 5 HHBDMN COCc1ccccc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462420186 985392994 /nfs/dbraw/zinc/39/29/94/985392994.db2.gz FKBOFBWBOZQUOU-UHFFFAOYSA-N 0 1 405.259 3.527 20 5 HHBDMN CCOCc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462433760 985402765 /nfs/dbraw/zinc/40/27/65/985402765.db2.gz XKWRPCSIMSEOPT-UHFFFAOYSA-N 0 1 419.286 3.917 20 5 HHBDMN C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)N1CCN(c2ccccc2)CC1 ZINC000462926185 985861321 /nfs/dbraw/zinc/86/13/21/985861321.db2.gz CZABSIBYGZYHOR-OAHLLOKOSA-N 0 1 406.433 3.819 20 5 HHBDMN CNc1c(C(=O)Nc2cccc(CN3CCSCC3)c2C)cccc1[N+](=O)[O-] ZINC000462930484 985867974 /nfs/dbraw/zinc/86/79/74/985867974.db2.gz BYMWDAXHIDZGJR-UHFFFAOYSA-N 0 1 400.504 3.746 20 5 HHBDMN COC(=O)COc1ccc(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000463035864 985994550 /nfs/dbraw/zinc/99/45/50/985994550.db2.gz QBAPGSUYJNPDQC-KGLIPLIRSA-N 0 1 404.385 3.700 20 5 HHBDMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444320046 986501496 /nfs/dbraw/zinc/50/14/96/986501496.db2.gz STGJHBAHRBUKIQ-OSPHWJPCSA-N 0 1 411.505 3.932 20 5 HHBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463627698 986603344 /nfs/dbraw/zinc/60/33/44/986603344.db2.gz WMJVYJMLXWJYBJ-UHFFFAOYSA-N 0 1 414.531 3.527 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)ccc1[N+](=O)[O-] ZINC000468913482 986620977 /nfs/dbraw/zinc/62/09/77/986620977.db2.gz KGNCAWJKBHBHKC-UHFFFAOYSA-N 0 1 405.432 3.843 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)c1[N+](=O)[O-] ZINC000468981773 986687747 /nfs/dbraw/zinc/68/77/47/986687747.db2.gz MTLQARPDFAEBFW-UHFFFAOYSA-N 0 1 412.277 3.540 20 5 HHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)cccc21 ZINC000469048858 986758871 /nfs/dbraw/zinc/75/88/71/986758871.db2.gz NDLFRPGCZNCEGX-AWEZNQCLSA-N 0 1 407.373 3.834 20 5 HHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000445066433 987188943 /nfs/dbraw/zinc/18/89/43/987188943.db2.gz PBKDTSOPIYLUTK-UHFFFAOYSA-N 0 1 421.306 3.743 20 5 HHBDMN Cc1cc(N(C)C)cc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464421992 988593694 /nfs/dbraw/zinc/59/36/94/988593694.db2.gz WYUOIKXLIADPTF-UHFFFAOYSA-N 0 1 400.460 3.627 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000470737895 988773637 /nfs/dbraw/zinc/77/36/37/988773637.db2.gz SCTGWZYUXMWEMO-UHFFFAOYSA-N 0 1 400.357 3.611 20 5 HHBDMN CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000464772278 988995862 /nfs/dbraw/zinc/99/58/62/988995862.db2.gz IVDGXWGBUXOMSH-WCQYABFASA-N 0 1 416.341 3.902 20 5 HHBDMN CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000465040712 989365024 /nfs/dbraw/zinc/36/50/24/989365024.db2.gz XGCJPGOTLWSLHU-LIRRHRJNSA-N 0 1 417.487 3.704 20 5 HHBDMN Cc1ccc(CN2CCCN(C(=O)COc3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000471289690 989447209 /nfs/dbraw/zinc/44/72/09/989447209.db2.gz XKOVVMSASMSUTO-UHFFFAOYSA-N 0 1 417.893 3.670 20 5 HHBDMN CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000465297033 989654249 /nfs/dbraw/zinc/65/42/49/989654249.db2.gz IKUIWPHTIHEJST-WMLDXEAASA-N 0 1 417.487 3.656 20 5 HHBDMN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000471828429 990007143 /nfs/dbraw/zinc/00/71/43/990007143.db2.gz VJUSMNRYOIPAEO-HNNXBMFYSA-N 0 1 421.457 3.988 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)c([N+](=O)[O-])c1 ZINC000466467545 991758209 /nfs/dbraw/zinc/75/82/09/991758209.db2.gz WLORQETZUHOKLT-UHFFFAOYSA-N 0 1 407.192 3.745 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000467073807 992379753 /nfs/dbraw/zinc/37/97/53/992379753.db2.gz IXQAOTSLMOWPNP-UHFFFAOYSA-N 0 1 420.487 3.842 20 5 HHBDMN COCC[C@H]1CCCCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000467278699 992599819 /nfs/dbraw/zinc/59/98/19/992599819.db2.gz OJJHVFIAXHFTBA-OAHLLOKOSA-N 0 1 418.519 3.795 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3[C@H](C)CC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000467498882 992783265 /nfs/dbraw/zinc/78/32/65/992783265.db2.gz NEZLPXBPDLLPEI-HUUCEWRRSA-N 0 1 417.487 3.717 20 5 HHBDMN CN(Cc1nnc[nH]1)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1 ZINC000467789206 993025186 /nfs/dbraw/zinc/02/51/86/993025186.db2.gz MHJKYYADZMXEQG-UHFFFAOYSA-N 0 1 403.851 3.790 20 5 HHBDMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000480735221 993600540 /nfs/dbraw/zinc/60/05/40/993600540.db2.gz RPFWUBNEHHDGHD-HKUYNNGSSA-N 0 1 415.515 3.517 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1C ZINC000480987131 993828973 /nfs/dbraw/zinc/82/89/73/993828973.db2.gz GJOXDVRPXRTFFG-APWZRJJASA-N 0 1 417.531 3.543 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000481075499 993914460 /nfs/dbraw/zinc/91/44/60/993914460.db2.gz RVTYBUKQKDIAND-HOTGVXAUSA-N 0 1 419.503 3.626 20 5 HHBDMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000481479564 994313121 /nfs/dbraw/zinc/31/31/21/994313121.db2.gz DTEKHABWBNKEBQ-ZUOKHONESA-N 0 1 403.866 3.503 20 5 HHBDMN CO[C@H](c1ccccc1Cl)[C@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000481479547 994313573 /nfs/dbraw/zinc/31/35/73/994313573.db2.gz DTEKHABWBNKEBQ-RBZFPXEDSA-N 0 1 403.866 3.503 20 5 HHBDMN NC(=O)c1ccc(CN[C@@H](c2cc(F)cc(Br)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000481737357 994593842 /nfs/dbraw/zinc/59/38/42/994593842.db2.gz DCXRPROSFZBDKV-QGZVFWFLSA-N 0 1 422.254 3.836 20 5 HHBDMN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)cc2c1C ZINC000473768063 994686873 /nfs/dbraw/zinc/68/68/73/994686873.db2.gz TTYDDOCQQVOQFL-UHFFFAOYSA-N 0 1 404.400 3.627 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000481957697 994841863 /nfs/dbraw/zinc/84/18/63/994841863.db2.gz HKOXPLDRDYPJKZ-UHFFFAOYSA-N 0 1 423.878 3.558 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000481957893 994842791 /nfs/dbraw/zinc/84/27/91/994842791.db2.gz QZFKHWLIOVMUQG-GOSISDBHSA-N 0 1 406.460 3.570 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CCN2C2CC2)c1 ZINC000482017344 994926430 /nfs/dbraw/zinc/92/64/30/994926430.db2.gz VKHHMHRVQNVEBA-RBBKRZOGSA-N 0 1 420.469 3.793 20 5 HHBDMN COC(=O)COc1ccc(CNC2(c3ccc(F)cc3F)CCCC2)cc1[N+](=O)[O-] ZINC000473987982 994974755 /nfs/dbraw/zinc/97/47/55/994974755.db2.gz QOJBPUQBSYCMRO-UHFFFAOYSA-N 0 1 420.412 3.984 20 5 HHBDMN COC(=O)COc1ccc(CNCc2ccc(C(F)(F)F)cc2C)cc1[N+](=O)[O-] ZINC000473995739 994984713 /nfs/dbraw/zinc/98/47/13/994984713.db2.gz MQXCOWKNUVAREJ-UHFFFAOYSA-N 0 1 412.364 3.764 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)CCc3cccc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000482068646 995002369 /nfs/dbraw/zinc/00/23/69/995002369.db2.gz AFZQLAYTCGFIKW-JTHBVZDNSA-N 0 1 409.486 3.630 20 5 HHBDMN COc1cccc([C@@H]2[C@H](NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CCN2C2CC2)c1 ZINC000482077524 995014326 /nfs/dbraw/zinc/01/43/26/995014326.db2.gz FRNUHDCIYMGVKN-DENIHFKCSA-N 0 1 420.469 3.793 20 5 HHBDMN COc1cccc([C@H]2[C@@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000482099758 995045169 /nfs/dbraw/zinc/04/51/69/995045169.db2.gz HMINOACFTRHYCJ-PMACEKPBSA-N 0 1 415.877 3.965 20 5 HHBDMN COc1cccc([C@H]2[C@H](NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CCN2C2CC2)c1 ZINC000482102899 995048686 /nfs/dbraw/zinc/04/86/86/995048686.db2.gz MCJMYDXLKJHNJJ-YADHBBJMSA-N 0 1 420.469 3.793 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000474189800 995180738 /nfs/dbraw/zinc/18/07/38/995180738.db2.gz MVDQMYCGWZAJLC-HIFRSBDPSA-N 0 1 417.270 3.710 20 5 HHBDMN C[C@@H](Nc1ccc(C(=O)Nc2cc(CN(C)C)ccn2)cc1[N+](=O)[O-])c1ccccn1 ZINC000482335220 995315050 /nfs/dbraw/zinc/31/50/50/995315050.db2.gz PQTPETUDMIARIK-OAHLLOKOSA-N 0 1 420.473 3.872 20 5 HHBDMN COc1ccc(CSCC(=O)Nc2cc(F)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC000474432533 995395051 /nfs/dbraw/zinc/39/50/51/995395051.db2.gz LTSBGQTWPIRARC-UHFFFAOYSA-N 0 1 400.815 3.973 20 5 HHBDMN CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000475311749 996062026 /nfs/dbraw/zinc/06/20/26/996062026.db2.gz KPORWDZXQFKWAS-INIZCTEOSA-N 0 1 418.291 3.704 20 5 HHBDMN CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475322727 996070320 /nfs/dbraw/zinc/07/03/20/996070320.db2.gz RRCLPWGVEXNOBO-MRXNPFEDSA-N 0 1 407.392 3.960 20 5 HHBDMN Cc1ccc(Sc2ccc(CNCC3(S(C)(=O)=O)CC3)cc2[N+](=O)[O-])cc1 ZINC000475424382 996129800 /nfs/dbraw/zinc/12/98/00/996129800.db2.gz OEKSLLRFEHYRIY-UHFFFAOYSA-N 0 1 406.529 3.721 20 5 HHBDMN CN(c1ccccc1)c1ccc(CNCC(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000475513016 996193118 /nfs/dbraw/zinc/19/31/18/996193118.db2.gz PXZFQPLCYXJZEL-UHFFFAOYSA-N 0 1 416.481 3.995 20 5 HHBDMN CCc1nc2c(s1)[C@H](N(C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)CCC2 ZINC000475714208 996317297 /nfs/dbraw/zinc/31/72/97/996317297.db2.gz HADNDIGKSHBLSR-OAHLLOKOSA-N 0 1 419.503 3.675 20 5 HHBDMN COc1c(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC000475763638 996355675 /nfs/dbraw/zinc/35/56/75/996355675.db2.gz ZRLLSBQZWPDPGT-UHFFFAOYSA-N 0 1 417.893 3.899 20 5 HHBDMN CC(C)(C)OC(=O)CCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000475833635 996402131 /nfs/dbraw/zinc/40/21/31/996402131.db2.gz OZVWHFQBVQVFRA-UHFFFAOYSA-N 0 1 406.460 3.670 20 5 HHBDMN CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000484726228 997066535 /nfs/dbraw/zinc/06/65/35/997066535.db2.gz IIVNXNAWASWVQD-LJQANCHMSA-N 0 1 410.854 3.691 20 5 HHBDMN CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000484726227 997067078 /nfs/dbraw/zinc/06/70/78/997067078.db2.gz IIVNXNAWASWVQD-IBGZPJMESA-N 0 1 410.854 3.691 20 5 HHBDMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000485110477 997491043 /nfs/dbraw/zinc/49/10/43/997491043.db2.gz WCZKLHVMJYRFLQ-UHFFFAOYSA-N 0 1 415.369 3.564 20 5 HHBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000485127575 997512192 /nfs/dbraw/zinc/51/21/92/997512192.db2.gz VCDMKPDVNZFYGH-UHFFFAOYSA-N 0 1 402.370 3.789 20 5 HHBDMN Cc1ccc2nc(CNC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)[nH]c2c1 ZINC000476908300 997514154 /nfs/dbraw/zinc/51/41/54/997514154.db2.gz ADAIYTPIRWDOTK-UHFFFAOYSA-N 0 1 400.413 3.935 20 5 HHBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(=Cc3cc(Cl)ccc3Cl)CC2)c1 ZINC000476994096 997621578 /nfs/dbraw/zinc/62/15/78/997621578.db2.gz UBVYTTCFTCBXNC-QGZVFWFLSA-N 0 1 411.289 3.638 20 5 HHBDMN C[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCc2ccccc2C1 ZINC000485309829 997719788 /nfs/dbraw/zinc/71/97/88/997719788.db2.gz ANEMUNJUAMJZIG-QGZVFWFLSA-N 0 1 408.502 3.716 20 5 HHBDMN CSc1cccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000485512333 997968462 /nfs/dbraw/zinc/96/84/62/997968462.db2.gz BUMRFTIZSTZAPJ-CQSZACIVSA-N 0 1 400.504 3.667 20 5 HHBDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477303083 997989473 /nfs/dbraw/zinc/98/94/73/997989473.db2.gz VHOVFVJLQGVIAF-UONOGXRCSA-N 0 1 400.483 3.564 20 5 HHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000485549910 998004501 /nfs/dbraw/zinc/00/45/01/998004501.db2.gz LWDCVLPUHZYFGK-CYBMUJFWSA-N 0 1 420.416 3.547 20 5 HHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000477330908 998018766 /nfs/dbraw/zinc/01/87/66/998018766.db2.gz NLOKXPJCZGJLME-IBGZPJMESA-N 0 1 405.857 3.883 20 5 HHBDMN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000477370932 998058269 /nfs/dbraw/zinc/05/82/69/998058269.db2.gz DTLGETLYXUGSAH-UHFFFAOYSA-N 0 1 422.393 3.918 20 5 HHBDMN O=C(CNC1(c2cccc(C(F)(F)F)c2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000477511359 998231310 /nfs/dbraw/zinc/23/13/10/998231310.db2.gz VUQSOMIIWVLSTP-UHFFFAOYSA-N 0 1 405.376 3.782 20 5 HHBDMN C[N@H+]1CC[C@H]([N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1c1ccc(F)c(F)c1 ZINC000485994468 998437749 /nfs/dbraw/zinc/43/77/49/998437749.db2.gz PPMFSKOBGBBGDG-DLBZAZTESA-N 0 1 401.373 3.780 20 5 HHBDMN CN1CC[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1c1ccc(F)c(F)c1 ZINC000485994468 998437764 /nfs/dbraw/zinc/43/77/64/998437764.db2.gz PPMFSKOBGBBGDG-DLBZAZTESA-N 0 1 401.373 3.780 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc(C(=O)C3CCC3)cc2)cc1[N+](=O)[O-] ZINC000486108847 998556206 /nfs/dbraw/zinc/55/62/06/998556206.db2.gz IWWGTHQOLIBAOL-UHFFFAOYSA-N 0 1 408.407 3.526 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000477923183 998659961 /nfs/dbraw/zinc/65/99/61/998659961.db2.gz UIOKKOBNPWHFCK-KSSFIOAISA-N 0 1 401.438 3.584 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2cc(F)cc(Br)c2F)c([N+](=O)[O-])c1 ZINC000486562996 998827425 /nfs/dbraw/zinc/82/74/25/998827425.db2.gz IHOGZWALORHZSR-UHFFFAOYSA-N 0 1 407.192 3.745 20 5 HHBDMN CN(CCn1ccc([N+](=O)[O-])n1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000478417666 998947285 /nfs/dbraw/zinc/94/72/85/998947285.db2.gz NAVRHNJNRVWWES-UHFFFAOYSA-N 0 1 402.458 3.776 20 5 HHBDMN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Br ZINC000487295612 999126922 /nfs/dbraw/zinc/12/69/22/999126922.db2.gz FYXIWEFSSRTNLS-UHFFFAOYSA-N 0 1 421.656 3.820 20 5 HHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000478978702 999232430 /nfs/dbraw/zinc/23/24/30/999232430.db2.gz DBZOQZUGJDKTAU-SFHVURJKSA-N 0 1 403.504 3.748 20 5 HHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000487704617 999259652 /nfs/dbraw/zinc/25/96/52/999259652.db2.gz QAXGQDCPFVSESK-UHFFFAOYSA-N 0 1 423.391 3.730 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2cc(F)c(OC(C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000488266821 999416990 /nfs/dbraw/zinc/41/69/90/999416990.db2.gz PPCMCECSZSXZKI-UHFFFAOYSA-N 0 1 420.365 3.609 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)cc1 ZINC000479548725 999471836 /nfs/dbraw/zinc/47/18/36/999471836.db2.gz VHSMFMDFNINSDL-UHFFFAOYSA-N 0 1 412.349 3.600 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000479767002 999580663 /nfs/dbraw/zinc/58/06/63/999580663.db2.gz IOCXASKGAQKPDL-IHRRRGAJSA-N 0 1 406.483 3.556 20 5 HHBDMN C[C@@H](NC(=O)[C@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccc2ccccc21 ZINC000488783029 999606395 /nfs/dbraw/zinc/60/63/95/999606395.db2.gz MPYJAXRRHYFTQU-SJORKVTESA-N 0 1 421.501 3.847 20 5 HHBDMN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1ccc([N+](=O)[O-])cc1F ZINC000479922515 999649926 /nfs/dbraw/zinc/64/99/26/999649926.db2.gz WNAXNVMZYGABJA-OAHLLOKOSA-N 0 1 400.454 3.841 20 5 HHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000489261981 999732734 /nfs/dbraw/zinc/73/27/34/999732734.db2.gz WQUIFSNENCERJL-QWRGUYRKSA-N 0 1 400.464 3.841 20 5 HHBDMN COc1cc(CN2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000489967136 999870295 /nfs/dbraw/zinc/87/02/95/999870295.db2.gz ROGSHILQMUNLMY-MRXNPFEDSA-N 0 1 416.453 3.776 20 5 HHBDMN Cc1c(NC(=O)CCN2CCC[C@H]2c2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000490086353 999890826 /nfs/dbraw/zinc/89/08/26/999890826.db2.gz IBQMFKFTIIZYPL-FQEVSTJZSA-N 0 1 407.474 3.956 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000490132915 999898073 /nfs/dbraw/zinc/89/80/73/999898073.db2.gz MVBGKRMSEXMOHD-HXUWFJFHSA-N 0 1 407.474 3.956 20 5 HHBDMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000490328614 999937930 /nfs/dbraw/zinc/93/79/30/999937930.db2.gz GZJCHCPFGMNWQA-UHFFFAOYSA-N 0 1 416.319 3.928 20 5 HHBDMN O=C(CSCc1cccc(Cl)c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490363002 999944810 /nfs/dbraw/zinc/94/48/10/999944810.db2.gz HQKVHSQYMUGBQB-UHFFFAOYSA-N 0 1 403.851 3.905 20 5 HHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(OCc2cscn2)c1 ZINC000490365300 999945209 /nfs/dbraw/zinc/94/52/09/999945209.db2.gz JSWIEUUWGZQVEV-UHFFFAOYSA-N 0 1 422.426 3.668 20 5 HHBDMN CN(C)Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)c1 ZINC000490826767 1000012711 /nfs/dbraw/zinc/01/27/11/1000012711.db2.gz ZXIOCTXQIYSNNX-UHFFFAOYSA-N 0 1 405.458 3.916 20 5 HHBDMN COc1c(S(=O)(=O)Nc2ccccc2C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000491602852 1000088732 /nfs/dbraw/zinc/08/87/32/1000088732.db2.gz XYTUYAJJMOEPJC-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN Cc1cc(C)c(S(=O)(=O)N(c2ccccc2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000493180533 1000161980 /nfs/dbraw/zinc/16/19/80/1000161980.db2.gz LIAKEVULHGIYSO-UHFFFAOYSA-N 0 1 403.504 3.501 20 5 HHBDMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000493973426 1000246556 /nfs/dbraw/zinc/24/65/56/1000246556.db2.gz RHEHVXSAPXETCH-QGZVFWFLSA-N 0 1 408.483 3.723 20 5 HHBDMN Cc1cc(C)c(S(=O)(=O)N(c2cccc(F)c2)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000493983472 1000251670 /nfs/dbraw/zinc/25/16/70/1000251670.db2.gz DQQBADLYUZRYSG-UHFFFAOYSA-N 0 1 421.494 3.640 20 5 HHBDMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000494455973 1000501618 /nfs/dbraw/zinc/50/16/18/1000501618.db2.gz PAEIWTSJPQIIHG-UHFFFAOYSA-N 0 1 403.504 3.583 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494474347 1000511609 /nfs/dbraw/zinc/51/16/09/1000511609.db2.gz MHLPEOFOBPOFFS-HKUYNNGSSA-N 0 1 407.829 3.754 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494478586 1000514239 /nfs/dbraw/zinc/51/42/39/1000514239.db2.gz SWVMYFSREOWUDH-DNVCBOLYSA-N 0 1 407.829 3.754 20 5 HHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000494499745 1000526012 /nfs/dbraw/zinc/52/60/12/1000526012.db2.gz AVUDBIZZOAPHKP-OYYNGEPBSA-N 0 1 419.865 3.704 20 5 HHBDMN CN(C)[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccsc1 ZINC000494699967 1000610557 /nfs/dbraw/zinc/61/05/57/1000610557.db2.gz UHAYUDTYJAOVDU-OAHLLOKOSA-N 0 1 416.425 3.777 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000505271312 1000660532 /nfs/dbraw/zinc/66/05/32/1000660532.db2.gz CSKCFNSCPPWTFC-UHFFFAOYSA-N 0 1 408.329 3.784 20 5 HHBDMN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505758520 1001008987 /nfs/dbraw/zinc/00/89/87/1001008987.db2.gz NTYXNGHDCLPOJY-UHFFFAOYSA-N 0 1 412.229 3.708 20 5 HHBDMN CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000496073878 1001121030 /nfs/dbraw/zinc/12/10/30/1001121030.db2.gz SLTWNBBSIXKHNP-UHFFFAOYSA-N 0 1 419.397 3.818 20 5 HHBDMN CN1C[C@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](c2ccccc2)C1 ZINC000497416857 1001351308 /nfs/dbraw/zinc/35/13/08/1001351308.db2.gz LJUXYCVXBGHNTR-MSOLQXFVSA-N 0 1 408.483 3.546 20 5 HHBDMN CC1CCN(c2ccc(C(=O)N[C@@H]3CN(C)C[C@@H]3c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000497433536 1001362593 /nfs/dbraw/zinc/36/25/93/1001362593.db2.gz YAYAYACRIXNBPW-NHCUHLMSSA-N 0 1 422.529 3.659 20 5 HHBDMN Cc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000506452278 1001419463 /nfs/dbraw/zinc/41/94/63/1001419463.db2.gz QYHDITHDPAIXEB-RHSMWYFYSA-N 0 1 421.881 3.870 20 5 HHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000497629713 1001464598 /nfs/dbraw/zinc/46/45/98/1001464598.db2.gz XNEZPPSTRCNNQA-HNNXBMFYSA-N 0 1 415.515 3.671 20 5 HHBDMN O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000497663143 1001476971 /nfs/dbraw/zinc/47/69/71/1001476971.db2.gz JHDOZVBHDGGJCM-HNNXBMFYSA-N 0 1 401.220 3.600 20 5 HHBDMN CCN([C@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000497981942 1001589714 /nfs/dbraw/zinc/58/97/14/1001589714.db2.gz HBMCDHXWQVSCTG-PXNSSMCTSA-N 0 1 417.531 3.749 20 5 HHBDMN COc1cccc([C@@H]2[C@H](NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000498292098 1001761070 /nfs/dbraw/zinc/76/10/70/1001761070.db2.gz UTDATRZWKUCFCU-IFMALSPDSA-N 0 1 423.513 3.975 20 5 HHBDMN Cc1cccc2nc(CNC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)[nH]c21 ZINC000498407451 1001834417 /nfs/dbraw/zinc/83/44/17/1001834417.db2.gz WNNYGECFLBSIHS-AWEZNQCLSA-N 0 1 407.474 3.946 20 5 HHBDMN CCN1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507335359 1002007000 /nfs/dbraw/zinc/00/70/00/1002007000.db2.gz ZDJCFDXITKOFRY-MSOLQXFVSA-N 0 1 407.829 3.658 20 5 HHBDMN COCCSc1ccc([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000507449297 1002077841 /nfs/dbraw/zinc/07/78/41/1002077841.db2.gz GYOHDTBAHNXDQE-LBPRGKRZSA-N 0 1 414.480 3.512 20 5 HHBDMN CC(C)(C)c1ccc(C(=O)N2CCC(CCCN3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000507680706 1002274735 /nfs/dbraw/zinc/27/47/35/1002274735.db2.gz XFYNOKWPAPMJSS-UHFFFAOYSA-N 0 1 417.550 3.857 20 5 HHBDMN C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000507821030 1002365826 /nfs/dbraw/zinc/36/58/26/1002365826.db2.gz CAKMPVUSZAPIHN-NSHDSACASA-N 0 1 417.263 3.985 20 5 HHBDMN C[C@H](NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000507950601 1002482711 /nfs/dbraw/zinc/48/27/11/1002482711.db2.gz ANGFNTZSLJALEZ-KBXCAEBGSA-N 0 1 406.446 3.988 20 5 HHBDMN C[C@H](NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000507950601 1002482705 /nfs/dbraw/zinc/48/27/05/1002482705.db2.gz ANGFNTZSLJALEZ-KBXCAEBGSA-N 0 1 406.446 3.988 20 5 HHBDMN Cc1ccc(S(=O)(=O)N[C@@H](c2c[nH]c3ccccc32)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000508068565 1002589982 /nfs/dbraw/zinc/58/99/82/1002589982.db2.gz OCORZLNCUYSGNA-INIZCTEOSA-N 0 1 413.377 3.966 20 5 HHBDMN COC(=O)c1cc(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc([N+](=O)[O-])c1 ZINC000508247591 1002770353 /nfs/dbraw/zinc/77/03/53/1002770353.db2.gz LZDYOJISWRIFRP-AWEZNQCLSA-N 0 1 422.441 3.586 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500175134 1003525825 /nfs/dbraw/zinc/52/58/25/1003525825.db2.gz ZDTZDYCLWYCTTF-KRWDZBQOSA-N 0 1 408.857 3.949 20 5 HHBDMN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000511831932 1003805559 /nfs/dbraw/zinc/80/55/59/1003805559.db2.gz LKQCVXGPBVBWPS-HNNXBMFYSA-N 0 1 423.391 3.627 20 5 HHBDMN Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc([N+](=O)[O-])c1 ZINC000511832609 1003807638 /nfs/dbraw/zinc/80/76/38/1003807638.db2.gz QDZQVCVDVXORLN-QGZVFWFLSA-N 0 1 407.392 3.926 20 5 HHBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000511954262 1003917729 /nfs/dbraw/zinc/91/77/29/1003917729.db2.gz JFEILNPZZPPQMR-UHFFFAOYSA-N 0 1 407.308 3.573 20 5 HHBDMN Cc1c(Br)cc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000509580292 1003958479 /nfs/dbraw/zinc/95/84/79/1003958479.db2.gz WDCXFDBFEFNZOU-CQSZACIVSA-N 0 1 412.309 3.760 20 5 HHBDMN Cc1c(Br)cc(C(=O)NC[C@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000509694937 1004034634 /nfs/dbraw/zinc/03/46/34/1004034634.db2.gz DISWWMOXTFLXHO-OAHLLOKOSA-N 0 1 412.309 3.760 20 5 HHBDMN C[C@H](O)C[C@H]1CCCCCN1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000512443645 1004305301 /nfs/dbraw/zinc/30/53/01/1004305301.db2.gz FOBJPMIASWRBOJ-GOEBONIOSA-N 0 1 418.519 3.672 20 5 HHBDMN CC[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000510181230 1004379572 /nfs/dbraw/zinc/37/95/72/1004379572.db2.gz BBCFIKRLSLCZLL-AWEZNQCLSA-N 0 1 407.854 3.945 20 5 HHBDMN C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1Cc1ccccc1 ZINC000501614470 1004553943 /nfs/dbraw/zinc/55/39/43/1004553943.db2.gz BBMPDHRSGWZQEQ-HOTGVXAUSA-N 0 1 420.469 3.584 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510424782 1004557289 /nfs/dbraw/zinc/55/72/89/1004557289.db2.gz MSSWFTWAYAIUMW-UHFFFAOYSA-N 0 1 423.448 3.615 20 5 HHBDMN C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000501770940 1004709664 /nfs/dbraw/zinc/70/96/64/1004709664.db2.gz REFZHRCVXIWDPX-IAGOWNOFSA-N 0 1 407.474 3.740 20 5 HHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000502098263 1004902022 /nfs/dbraw/zinc/90/20/22/1004902022.db2.gz OAFDYTUJKRXZAJ-LHSJRXKWSA-N 0 1 424.457 3.526 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1[N+](=O)[O-] ZINC000502119842 1004910724 /nfs/dbraw/zinc/91/07/24/1004910724.db2.gz NLGJCRIVYXFZKO-NSHDSACASA-N 0 1 401.398 3.741 20 5 HHBDMN C[C@H](NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2n[nH]cc2c1 ZINC000513402437 1004946095 /nfs/dbraw/zinc/94/60/95/1004946095.db2.gz WYIYXFUTTQZHNS-LBPRGKRZSA-N 0 1 422.470 3.884 20 5 HHBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000511121639 1005029428 /nfs/dbraw/zinc/02/94/28/1005029428.db2.gz LJKXBHHZVOMIMH-HXUWFJFHSA-N 0 1 403.429 3.539 20 5 HHBDMN CN(CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000511121639 1005029432 /nfs/dbraw/zinc/02/94/32/1005029432.db2.gz LJKXBHHZVOMIMH-HXUWFJFHSA-N 0 1 403.429 3.539 20 5 HHBDMN CCOC(=O)c1cc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000502373466 1005043007 /nfs/dbraw/zinc/04/30/07/1005043007.db2.gz RLRQQWYPHBVCLL-SFHVURJKSA-N 0 1 407.430 3.898 20 5 HHBDMN CCOC(=O)c1cc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000502373466 1005043011 /nfs/dbraw/zinc/04/30/11/1005043011.db2.gz RLRQQWYPHBVCLL-SFHVURJKSA-N 0 1 407.430 3.898 20 5 HHBDMN CC(C)(CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000513703899 1005089293 /nfs/dbraw/zinc/08/92/93/1005089293.db2.gz AHRVADSSDQDGRQ-UHFFFAOYSA-N 0 1 419.428 3.763 20 5 HHBDMN O=C(CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000511778318 1005322430 /nfs/dbraw/zinc/32/24/30/1005322430.db2.gz ZIHKJYOMCLRIFG-ZHALLVOQSA-N 0 1 415.877 3.691 20 5 HHBDMN O=[N+]([O-])c1ccc(Sc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)c2ncccc12 ZINC000503282335 1005383253 /nfs/dbraw/zinc/38/32/53/1005383253.db2.gz QNWPLNBLXYQDSF-UHFFFAOYSA-N 0 1 407.411 3.851 20 5 HHBDMN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000503770758 1005491574 /nfs/dbraw/zinc/49/15/74/1005491574.db2.gz NRBMVKSXVUMQGX-SFHVURJKSA-N 0 1 402.414 3.839 20 5 HHBDMN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000503770758 1005491577 /nfs/dbraw/zinc/49/15/77/1005491577.db2.gz NRBMVKSXVUMQGX-SFHVURJKSA-N 0 1 402.414 3.839 20 5 HHBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000531204555 1006045751 /nfs/dbraw/zinc/04/57/51/1006045751.db2.gz HLVWQDMWTTYYRK-CVEARBPZSA-N 0 1 410.474 3.708 20 5 HHBDMN Cc1ccc(Sc2ccc(CN[C@H]3CCCS(=O)(=O)C3)cc2[N+](=O)[O-])cc1 ZINC000531257009 1006075573 /nfs/dbraw/zinc/07/55/73/1006075573.db2.gz JRXSENAHVNIWLV-INIZCTEOSA-N 0 1 406.529 3.721 20 5 HHBDMN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531443709 1006200011 /nfs/dbraw/zinc/20/00/11/1006200011.db2.gz AZCQUKJUYYPLOG-KGLIPLIRSA-N 0 1 414.462 3.548 20 5 HHBDMN COc1cc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000534229751 1006228906 /nfs/dbraw/zinc/22/89/06/1006228906.db2.gz KCIQMYVLGQAAJQ-AUUYWEPGSA-N 0 1 421.856 3.819 20 5 HHBDMN Cc1nc2ccc(NC(=O)c3cc(I)cc([N+](=O)[O-])c3)cc2[nH]1 ZINC000534293538 1006285435 /nfs/dbraw/zinc/28/54/35/1006285435.db2.gz HSVCMNDJVGIPCA-UHFFFAOYSA-N 0 1 422.182 3.636 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000534498732 1006497129 /nfs/dbraw/zinc/49/71/29/1006497129.db2.gz IUILXOOTCBGTQJ-UHFFFAOYSA-N 0 1 424.482 3.928 20 5 HHBDMN CCO[C@@H]1C[C@H](N(C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000531915846 1006517835 /nfs/dbraw/zinc/51/78/35/1006517835.db2.gz TUBQEOAHTFJBRC-DLBZAZTESA-N 0 1 400.422 3.984 20 5 HHBDMN C[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000534628840 1006611113 /nfs/dbraw/zinc/61/11/13/1006611113.db2.gz TUXSTZRJTQKLNG-GDBMZVCRSA-N 0 1 417.487 3.562 20 5 HHBDMN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000534706198 1006693039 /nfs/dbraw/zinc/69/30/39/1006693039.db2.gz UJMRLWRLZSYNBA-UHFFFAOYSA-N 0 1 413.340 3.974 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1CS(=O)(=O)NC(C)C ZINC000532213892 1006726258 /nfs/dbraw/zinc/72/62/58/1006726258.db2.gz ONWOWDZYIZYMLV-INIZCTEOSA-N 0 1 405.520 3.582 20 5 HHBDMN CCOC[C@H]1CCCN(Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000538727540 1007006196 /nfs/dbraw/zinc/00/61/96/1007006196.db2.gz ZCPQSRQXICCFLR-ZDUSSCGKSA-N 0 1 406.401 3.793 20 5 HHBDMN CN1CC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534962865 1007012130 /nfs/dbraw/zinc/01/21/30/1007012130.db2.gz OBTLBJMGGPGPRP-KXBFYZLASA-N 0 1 420.872 3.880 20 5 HHBDMN CN1CC[C@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534962863 1007012521 /nfs/dbraw/zinc/01/25/21/1007012521.db2.gz OBTLBJMGGPGPRP-DNVCBOLYSA-N 0 1 420.872 3.880 20 5 HHBDMN CCOc1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC(F)F ZINC000538735677 1007017341 /nfs/dbraw/zinc/01/73/41/1007017341.db2.gz UKXDQKYXVBRYFY-AWEZNQCLSA-N 0 1 408.405 3.676 20 5 HHBDMN NC(=O)c1ccc(N2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)cc1 ZINC000538735416 1007018375 /nfs/dbraw/zinc/01/83/75/1007018375.db2.gz WETVDJSYJXVQEG-UHFFFAOYSA-N 0 1 422.510 3.744 20 5 HHBDMN Cc1cccnc1[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000532709926 1007122829 /nfs/dbraw/zinc/12/28/29/1007122829.db2.gz HAYHLBHIJPLNTQ-KRWDZBQOSA-N 0 1 421.295 3.986 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000538866689 1007144773 /nfs/dbraw/zinc/14/47/73/1007144773.db2.gz ALPZBWCHINZCLN-OCCSQVGLSA-N 0 1 405.401 3.728 20 5 HHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccccc1C[NH+]1CCCCC1 ZINC000516784078 1007287410 /nfs/dbraw/zinc/28/74/10/1007287410.db2.gz NAOMALQALDTPRU-UHFFFAOYSA-N 0 1 423.922 3.713 20 5 HHBDMN CCc1ccc(CN2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)s1 ZINC000532968506 1007334970 /nfs/dbraw/zinc/33/49/70/1007334970.db2.gz GJWFBWQYFDSXEW-UHFFFAOYSA-N 0 1 416.547 3.674 20 5 HHBDMN C[C@H](c1cccnc1)N1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532971157 1007339300 /nfs/dbraw/zinc/33/93/00/1007339300.db2.gz GIZGZUKPJARAGS-QGZVFWFLSA-N 0 1 407.474 3.566 20 5 HHBDMN Cc1cc(N2CCN(CCCc3nc(-c4cccs4)no3)CC2)ccc1[N+](=O)[O-] ZINC000539186503 1007486054 /nfs/dbraw/zinc/48/60/54/1007486054.db2.gz IROZHBHHQOMERT-UHFFFAOYSA-N 0 1 413.503 3.770 20 5 HHBDMN COc1ccc(NC(=O)CN2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000535666329 1007684351 /nfs/dbraw/zinc/68/43/51/1007684351.db2.gz SAQURSNPTGTDOL-HNNXBMFYSA-N 0 1 423.473 3.606 20 5 HHBDMN CCOc1ccc([C@H](C)NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000539381388 1007685464 /nfs/dbraw/zinc/68/54/64/1007685464.db2.gz VUDDQTYIGKLQLS-CVEARBPZSA-N 0 1 415.490 3.839 20 5 HHBDMN CN1CC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535672627 1007693255 /nfs/dbraw/zinc/69/32/55/1007693255.db2.gz WXCXRUNTYKTWOY-QRWLVFNGSA-N 0 1 405.857 3.739 20 5 HHBDMN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000517563773 1007772054 /nfs/dbraw/zinc/77/20/54/1007772054.db2.gz JTNLBICKDYLLRZ-UHFFFAOYSA-N 0 1 415.402 3.787 20 5 HHBDMN O=[N+]([O-])c1cc(I)cc(CNCc2cc3ccccc3[nH]2)c1 ZINC000517786029 1007967606 /nfs/dbraw/zinc/96/76/06/1007967606.db2.gz HQHJNHLIKFCLSF-UHFFFAOYSA-N 0 1 407.211 3.971 20 5 HHBDMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000536069001 1008097186 /nfs/dbraw/zinc/09/71/86/1008097186.db2.gz QQEKFOJCNSUSJX-UHFFFAOYSA-N 0 1 403.402 3.639 20 5 HHBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cccc(CN2CCSCC2)c1 ZINC000533907993 1008197725 /nfs/dbraw/zinc/19/77/25/1008197725.db2.gz XFQXEJWYNYKQFL-UHFFFAOYSA-N 0 1 410.499 3.806 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)cc1 ZINC000518322457 1008260110 /nfs/dbraw/zinc/26/01/10/1008260110.db2.gz KIDVUSBMAAZTDL-UHFFFAOYSA-N 0 1 408.439 3.794 20 5 HHBDMN COc1ccc(CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@H]2CCCC[C@@H]2C)cc1OC ZINC000540116753 1008296490 /nfs/dbraw/zinc/29/64/90/1008296490.db2.gz FFCQPWBEAAHERI-BBRMVZONSA-N 0 1 416.478 3.865 20 5 HHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@@H]2CN3CCC[C@]3(C)CO2)no1 ZINC000518615301 1008366239 /nfs/dbraw/zinc/36/62/39/1008366239.db2.gz FEISBPMUTLNQFP-WMLDXEAASA-N 0 1 423.267 3.642 20 5 HHBDMN 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ZINC000543239014 1008807880 /nfs/dbraw/zinc/80/78/80/1008807880.db2.gz NUIIXVDFZFEMOC-LLVKDONJSA-N 0 1 401.435 3.939 20 5 HHBDMN O=C1CCCN1C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000519748916 1008993651 /nfs/dbraw/zinc/99/36/51/1008993651.db2.gz RJAYSJJNPVIWND-QGZVFWFLSA-N 0 1 423.391 3.773 20 5 HHBDMN COC(=O)C[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000543461316 1009048719 /nfs/dbraw/zinc/04/87/19/1009048719.db2.gz YPRDQWGIRRKANA-SUMWQHHRSA-N 0 1 402.451 3.807 20 5 HHBDMN CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000519891683 1009058490 /nfs/dbraw/zinc/05/84/90/1009058490.db2.gz NNKOJGSFMKMHFQ-NVXWUHKLSA-N 0 1 421.494 3.580 20 5 HHBDMN CC(C)c1ccc2c(c1)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCCO2 ZINC000543598165 1009203162 /nfs/dbraw/zinc/20/31/62/1009203162.db2.gz RLNRQEQNORDAJS-FQEVSTJZSA-N 0 1 418.515 3.995 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)N2CCCC2)cc1 ZINC000543641205 1009245025 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O=C(Cc1ccccc1)N1CCc2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc21 ZINC000590520361 1073895978 /nfs/dbraw/zinc/89/59/78/1073895978.db2.gz BPZBJXPQFWNNHU-UHFFFAOYSA-N 0 1 417.421 3.685 20 5 HHBDMN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCC1(CN2CCOCC2)CCCCC1 ZINC001126958025 1074141915 /nfs/dbraw/zinc/14/19/15/1074141915.db2.gz BDMLDVZKVMAANU-UHFFFAOYSA-N 0 1 423.941 3.580 20 5 HHBDMN CC1CCN([C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c2cccs2)CC1 ZINC000591719436 1074482094 /nfs/dbraw/zinc/48/20/94/1074482094.db2.gz TUUHWYMAZKZIDM-INIZCTEOSA-N 0 1 417.487 3.588 20 5 HHBDMN NC(=O)c1cccc(NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000573825721 1074651572 /nfs/dbraw/zinc/65/15/72/1074651572.db2.gz SQSHCBCHYIQUMY-MRXNPFEDSA-N 0 1 402.882 3.814 20 5 HHBDMN Cc1nc(CN2CCCC23CCN(c2ccc4[nH]cc([N+](=O)[O-])c4n2)CC3)cs1 ZINC001164691987 719810433 /nfs/dbraw/zinc/81/04/33/719810433.db2.gz DQJJXFOUAYAHFE-UHFFFAOYSA-N 0 1 412.519 3.871 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164907056 721697926 /nfs/dbraw/zinc/69/79/26/721697926.db2.gz QTCBNQJZZPSKNJ-GOSISDBHSA-N 0 1 423.851 3.776 20 5 HHBDMN CN1CCN(C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000301172602 970786145 /nfs/dbraw/zinc/78/61/45/970786145.db2.gz UZCHDVXUOVTECB-GOSISDBHSA-N 0 1 419.323 3.758 20 5 HHBDMN O=[N+]([O-])c1cc(Br)cnc1NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000301702358 971034288 /nfs/dbraw/zinc/03/42/88/971034288.db2.gz UFABDGFHSZNQQJ-UHFFFAOYSA-N 0 1 409.259 3.968 20 5 HHBDMN CS(=O)(=O)c1cccc(NCc2ccccc2CN2CCCCC2)c1[N+](=O)[O-] ZINC000301911458 971111457 /nfs/dbraw/zinc/11/14/57/971111457.db2.gz SRFMHUUKPLJJNV-UHFFFAOYSA-N 0 1 403.504 3.596 20 5 HHBDMN CNC(=O)c1ccc(NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000301901192 971106911 /nfs/dbraw/zinc/10/69/11/971106911.db2.gz ZWGLVNWDPHWOGE-IFXJQAMLSA-N 0 1 420.872 3.852 20 5 HHBDMN C[C@@H]1CCCN(Cc2ccccc2CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301939008 971126285 /nfs/dbraw/zinc/12/62/85/971126285.db2.gz SOUUZVDAWPYIQQ-CQSZACIVSA-N 0 1 423.560 3.904 20 5 HHBDMN Cc1cc(NCc2cccc(N3CCCS3(=O)=O)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302163134 971191526 /nfs/dbraw/zinc/19/15/26/971191526.db2.gz ICAXMHXTBRXHRS-UHFFFAOYSA-N 0 1 412.471 3.603 20 5 HHBDMN COc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1[N+](=O)[O-] ZINC000537548833 1013067598 /nfs/dbraw/zinc/06/75/98/1013067598.db2.gz IKENPLQPKHAUSA-INIZCTEOSA-N 0 1 413.478 3.789 20 5 HHBDMN CCc1nc(C2CCN(c3cc(CC)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)n[nH]1 ZINC000302709165 971287010 /nfs/dbraw/zinc/28/70/10/971287010.db2.gz KCONZKXECVWYIA-UHFFFAOYSA-N 0 1 407.478 3.679 20 5 HHBDMN CCc1nnc(C2CCN(c3cc(CC)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)[nH]1 ZINC000302709165 971287016 /nfs/dbraw/zinc/28/70/16/971287016.db2.gz KCONZKXECVWYIA-UHFFFAOYSA-N 0 1 407.478 3.679 20 5 HHBDMN CCCN(C)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000553243019 1013208688 /nfs/dbraw/zinc/20/86/88/1013208688.db2.gz PPHIYEBLWMDYCA-SFHVURJKSA-N 0 1 415.881 4.392 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000537651890 1013212497 /nfs/dbraw/zinc/21/24/97/1013212497.db2.gz LCDVZVBEIIDBHU-UHFFFAOYSA-N 0 1 404.366 3.702 20 5 HHBDMN Cc1[nH]nc2cc(NC(=O)c3cc(I)cc([N+](=O)[O-])c3)ccc12 ZINC000537704413 1013270275 /nfs/dbraw/zinc/27/02/75/1013270275.db2.gz OTQBILSZRQGODC-UHFFFAOYSA-N 0 1 422.182 3.636 20 5 HHBDMN COc1cccc([C@H](CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)N2CCCC2)c1 ZINC000010092322 961741428 /nfs/dbraw/zinc/74/14/28/961741428.db2.gz GPNUHMBEMDSZKL-IBGZPJMESA-N 0 1 415.515 3.892 20 5 HHBDMN COc1ccc(NC(=O)CSc2n[nH]c(CCC3CCCC3)n2)c([N+](=O)[O-])c1 ZINC000012104493 962240002 /nfs/dbraw/zinc/24/00/02/962240002.db2.gz ISOGESNSFDPXMO-UHFFFAOYSA-N 0 1 405.480 3.575 20 5 HHBDMN COc1ccc(NC(=O)CSc2nc(CCC3CCCC3)n[nH]2)c([N+](=O)[O-])c1 ZINC000012104493 962240007 /nfs/dbraw/zinc/24/00/07/962240007.db2.gz ISOGESNSFDPXMO-UHFFFAOYSA-N 0 1 405.480 3.575 20 5 HHBDMN CC(C)(C)c1n[nH]c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000012255884 962260083 /nfs/dbraw/zinc/26/00/83/962260083.db2.gz UUGMUHUGNDNTOB-UHFFFAOYSA-N 0 1 418.504 3.865 20 5 HHBDMN C[C@@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000014389230 962496419 /nfs/dbraw/zinc/49/64/19/962496419.db2.gz GRPKDTBZDVWOIA-SECBINFHSA-N 0 1 416.488 3.833 20 5 HHBDMN C[C@@H](Sc1n[nH]c(C2CC2)n1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000014389230 962496434 /nfs/dbraw/zinc/49/64/34/962496434.db2.gz GRPKDTBZDVWOIA-SECBINFHSA-N 0 1 416.488 3.833 20 5 HHBDMN C[C@@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000014389436 962496460 /nfs/dbraw/zinc/49/64/60/962496460.db2.gz FPBBRPNCIAVYAD-SSDOTTSWSA-N 0 1 401.370 3.728 20 5 HHBDMN C[C@@H](Sc1n[nH]c(C2CC2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000014389436 962496472 /nfs/dbraw/zinc/49/64/72/962496472.db2.gz FPBBRPNCIAVYAD-SSDOTTSWSA-N 0 1 401.370 3.728 20 5 HHBDMN CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])[nH]c2c1 ZINC000015689423 962837960 /nfs/dbraw/zinc/83/79/60/962837960.db2.gz XLUAXZURTONOEC-NSHDSACASA-N 0 1 416.459 3.998 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000015690887 962839157 /nfs/dbraw/zinc/83/91/57/962839157.db2.gz CTOQTUHYYJYMIH-IBGZPJMESA-N 0 1 415.515 3.649 20 5 HHBDMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000542530449 1013472716 /nfs/dbraw/zinc/47/27/16/1013472716.db2.gz FVVIQZIUFGZFQS-NSHDSACASA-N 0 1 413.400 3.568 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133748 964472295 /nfs/dbraw/zinc/47/22/95/964472295.db2.gz UYYWZOHZFSLJDK-VGOFRKELSA-N 0 1 413.474 3.642 20 5 HHBDMN Cc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000537918908 1013504026 /nfs/dbraw/zinc/50/40/26/1013504026.db2.gz VTODQYKWTAUVIY-MRXNPFEDSA-N 0 1 403.504 3.539 20 5 HHBDMN COc1ccc(NC(=O)[C@@H](NCCNc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000027041401 964759426 /nfs/dbraw/zinc/75/94/26/964759426.db2.gz NNPJVCKRNHLHRB-QFIPXVFZSA-N 0 1 420.469 3.985 20 5 HHBDMN C[C@@H]1CN(Cc2ccccc2CNc2nc3sccn3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000052314597 964865548 /nfs/dbraw/zinc/86/55/48/964865548.db2.gz PXNWUUPHTKSFNH-ZIAGYGMSSA-N 0 1 401.492 3.525 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])N1CCCC1 ZINC000027572040 964920233 /nfs/dbraw/zinc/92/02/33/964920233.db2.gz CRFWNKYNXABJDA-IBGZPJMESA-N 0 1 415.515 3.892 20 5 HHBDMN COc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000052554547 964928714 /nfs/dbraw/zinc/92/87/14/964928714.db2.gz GNLSPFTZWPNFEB-UHFFFAOYSA-N 0 1 403.866 3.651 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1 ZINC000028789491 965182936 /nfs/dbraw/zinc/18/29/36/965182936.db2.gz ULTYZOXWFDOCTK-UHFFFAOYSA-N 0 1 406.446 3.543 20 5 HHBDMN CCN(CC)[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000028840086 965197735 /nfs/dbraw/zinc/19/77/35/965197735.db2.gz KTQKHETVNORKMJ-LJQANCHMSA-N 0 1 405.882 3.826 20 5 HHBDMN CC(C)COc1ccc([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000542683594 1013604364 /nfs/dbraw/zinc/60/43/64/1013604364.db2.gz SVSNSSSERYGGPJ-INIZCTEOSA-N 0 1 406.504 3.754 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000031000400 965855764 /nfs/dbraw/zinc/85/57/64/965855764.db2.gz BBFIYWMLTVBNSW-IBGZPJMESA-N 0 1 405.882 3.826 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000055752093 966047637 /nfs/dbraw/zinc/04/76/37/966047637.db2.gz MQPYITZVBTUXSC-IBGZPJMESA-N 0 1 413.474 3.569 20 5 HHBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000542717402 1013629637 /nfs/dbraw/zinc/62/96/37/1013629637.db2.gz YCQWXBYGWAXEIJ-UHFFFAOYSA-N 0 1 414.531 3.885 20 5 HHBDMN CCN([C@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000060569522 966210387 /nfs/dbraw/zinc/21/03/87/966210387.db2.gz OAUWWKFJVODACY-PXNSSMCTSA-N 0 1 417.531 3.749 20 5 HHBDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000056269072 966279915 /nfs/dbraw/zinc/27/99/15/966279915.db2.gz WBOKZWGABDOOPV-UHFFFAOYSA-N 0 1 418.457 3.854 20 5 HHBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000061596604 966510532 /nfs/dbraw/zinc/51/05/32/966510532.db2.gz RJMVDBPZZURUCA-UHFFFAOYSA-N 0 1 400.504 3.503 20 5 HHBDMN CCC[N@H+]1CC[C@H](CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538087922 1013660426 /nfs/dbraw/zinc/66/04/26/1013660426.db2.gz HYUAEOGSKWYXMG-MRXNPFEDSA-N 0 1 418.519 3.539 20 5 HHBDMN CCC[N@@H+]1CC[C@H](CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538087922 1013660431 /nfs/dbraw/zinc/66/04/31/1013660431.db2.gz HYUAEOGSKWYXMG-MRXNPFEDSA-N 0 1 418.519 3.539 20 5 HHBDMN CCC[N@H+]1CC[C@H](CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538087922 1013660438 /nfs/dbraw/zinc/66/04/38/1013660438.db2.gz HYUAEOGSKWYXMG-MRXNPFEDSA-N 0 1 418.519 3.539 20 5 HHBDMN CC(=O)Nc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000064373672 967159080 /nfs/dbraw/zinc/15/90/80/967159080.db2.gz WOYLIZVHGNJYJW-UHFFFAOYSA-N 0 1 417.365 3.681 20 5 HHBDMN COc1ccc(CCN(Cc2ccccc2)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000064807357 967296985 /nfs/dbraw/zinc/29/69/85/967296985.db2.gz GFBWGAZQUMPXBC-UHFFFAOYSA-N 0 1 419.481 3.947 20 5 HHBDMN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000538164147 1013725597 /nfs/dbraw/zinc/72/55/97/1013725597.db2.gz VUCCWBYFQZLHPE-CYBMUJFWSA-N 0 1 411.380 3.850 20 5 HHBDMN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(-c2cccnc2)cc1 ZINC000538224178 1013773683 /nfs/dbraw/zinc/77/36/83/1013773683.db2.gz PFLXDIJHNIOSQY-INIZCTEOSA-N 0 1 402.454 3.897 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000047609129 968257086 /nfs/dbraw/zinc/25/70/86/968257086.db2.gz LURDREIJFVBUCQ-GJZGRUSLSA-N 0 1 401.463 3.988 20 5 HHBDMN CN(C)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccsc1 ZINC000047865616 968347083 /nfs/dbraw/zinc/34/70/83/968347083.db2.gz YTIWZNORKKIEIP-CYBMUJFWSA-N 0 1 400.407 3.682 20 5 HHBDMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000538277668 1013816529 /nfs/dbraw/zinc/81/65/29/1013816529.db2.gz WSZYICAMTPWKBY-OAHLLOKOSA-N 0 1 407.474 3.995 20 5 HHBDMN COc1ccc(-c2n[nH]c(SCc3ccc(OC)c([N+](=O)[O-])c3)n2)c(OC)c1 ZINC000066000050 968764311 /nfs/dbraw/zinc/76/43/11/968764311.db2.gz NUXJUXPYDXHDTE-UHFFFAOYSA-N 0 1 402.432 3.698 20 5 HHBDMN O=C(NCCCOc1ccc(Cl)cc1Cl)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000072046490 968957358 /nfs/dbraw/zinc/95/73/58/968957358.db2.gz XLTLTFKQFYBPLM-UHFFFAOYSA-N 0 1 409.229 3.977 20 5 HHBDMN CCN(CC)[C@H](CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000097548860 969157970 /nfs/dbraw/zinc/15/79/70/969157970.db2.gz SBFUNVNVVYPJGN-OAHLLOKOSA-N 0 1 407.492 3.731 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccnc(Sc3ccccn3)c2)c1C ZINC000110680818 969706228 /nfs/dbraw/zinc/70/62/28/969706228.db2.gz ZJQOZFRSAFNVOD-UHFFFAOYSA-N 0 1 416.484 3.954 20 5 HHBDMN Cc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000116594946 969908014 /nfs/dbraw/zinc/90/80/14/969908014.db2.gz NPCMHOCWPDHVQP-FQEVSTJZSA-N 0 1 412.490 3.663 20 5 HHBDMN C[C@H](Cc1cccc(Br)c1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000195680737 969951656 /nfs/dbraw/zinc/95/16/56/969951656.db2.gz BXSAVZMVGGGUPZ-SNVBAGLBSA-N 0 1 403.236 3.595 20 5 HHBDMN COc1ccc([C@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Br ZINC000216016727 970060468 /nfs/dbraw/zinc/06/04/68/970060468.db2.gz PNOHPFNKDQFVST-LBPRGKRZSA-N 0 1 422.279 3.964 20 5 HHBDMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000141398949 970112843 /nfs/dbraw/zinc/11/28/43/970112843.db2.gz FWKWEFVPWAPMGM-IBGZPJMESA-N 0 1 418.413 3.761 20 5 HHBDMN COc1ccc2[nH]cc(C3CCN(Cc4ccc(C(N)=O)cc4[N+](=O)[O-])CC3)c2c1 ZINC000142114160 970141763 /nfs/dbraw/zinc/14/17/63/970141763.db2.gz PSGPBERWMXLDOX-UHFFFAOYSA-N 0 1 408.458 3.563 20 5 HHBDMN CC(C)c1ccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000236659327 970151977 /nfs/dbraw/zinc/15/19/77/970151977.db2.gz QBSUWPJAVYTOOH-OAHLLOKOSA-N 0 1 405.520 3.819 20 5 HHBDMN COc1ccc(CNCc2cc(Br)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000237209203 970242474 /nfs/dbraw/zinc/24/24/74/970242474.db2.gz DKLSTCFKLADSAL-UHFFFAOYSA-N 0 1 411.252 3.673 20 5 HHBDMN COc1ccc(CNCc2cccc(C(N)=O)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237239046 970247085 /nfs/dbraw/zinc/24/70/85/970247085.db2.gz ORVNDFCKRCMUND-UHFFFAOYSA-N 0 1 421.453 3.571 20 5 HHBDMN Cc1ccc(-c2n[nH]c(SCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)n2)cc1 ZINC000261430435 970675123 /nfs/dbraw/zinc/67/51/23/970675123.db2.gz JVKIWLNWNIYGSK-UHFFFAOYSA-N 0 1 411.443 3.779 20 5 HHBDMN CC(C)(C)N1CCC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301118789 970757280 /nfs/dbraw/zinc/75/72/80/970757280.db2.gz ZFCNLRXPUUAVMC-UHFFFAOYSA-N 0 1 409.430 3.563 20 5 HHBDMN C[C@@H](c1ccc(F)cc1F)N1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000410050089 973534023 /nfs/dbraw/zinc/53/40/23/973534023.db2.gz RXJDORHUFODYHB-HNNXBMFYSA-N 0 1 418.444 3.580 20 5 HHBDMN Cc1ccc(NC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000410370737 973966633 /nfs/dbraw/zinc/96/66/33/973966633.db2.gz YJHKNPSABHHIHG-IRXDYDNUSA-N 0 1 412.490 3.834 20 5 HHBDMN C[C@H](CSc1ccc(F)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000425933419 974044648 /nfs/dbraw/zinc/04/46/48/974044648.db2.gz UUYPXOXWPMPKDH-LLVKDONJSA-N 0 1 401.423 3.886 20 5 HHBDMN COc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(OCc2cccnc2)c1 ZINC000425993132 974105635 /nfs/dbraw/zinc/10/56/35/974105635.db2.gz AUYUXEOYJMMLOI-UHFFFAOYSA-N 0 1 423.473 3.611 20 5 HHBDMN CN(C)[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc(F)cc1 ZINC000426028905 974151265 /nfs/dbraw/zinc/15/12/65/974151265.db2.gz NKLSWSUZEDNFAL-HXUWFJFHSA-N 0 1 400.454 3.711 20 5 HHBDMN CCN(CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)CCC(F)(F)F ZINC000427212793 974981842 /nfs/dbraw/zinc/98/18/42/974981842.db2.gz RJJPRBCIYIHULP-UHFFFAOYSA-N 0 1 416.425 3.722 20 5 HHBDMN CN(Cc1ccc(Br)c(F)c1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000427570516 975191420 /nfs/dbraw/zinc/19/14/20/975191420.db2.gz GPVYOCVAZRGZDZ-UHFFFAOYSA-N 0 1 407.199 3.645 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H]3CC3(C)C)cc2)cc1[N+](=O)[O-] ZINC000428091339 975430390 /nfs/dbraw/zinc/43/03/90/975430390.db2.gz YZVPNKILFWTZOG-GOSISDBHSA-N 0 1 417.487 3.575 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000428487331 975786198 /nfs/dbraw/zinc/78/61/98/975786198.db2.gz SMWRTMFKJATAGW-INIZCTEOSA-N 0 1 403.504 3.636 20 5 HHBDMN COC(=O)[C@]1(c2ccccc2)CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000428792424 976068818 /nfs/dbraw/zinc/06/88/18/976068818.db2.gz WHPDIJNBGZKVAM-JOCHJYFZSA-N 0 1 407.426 3.567 20 5 HHBDMN CC(C)(NCC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000429237658 976528272 /nfs/dbraw/zinc/52/82/72/976528272.db2.gz PKUYULPRSKCXNS-UHFFFAOYSA-N 0 1 421.379 3.953 20 5 HHBDMN COc1cccc([C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000429830571 977099840 /nfs/dbraw/zinc/09/98/40/977099840.db2.gz JVIRAQNFDXNJMC-NRFANRHFSA-N 0 1 411.502 3.834 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000430206180 977391037 /nfs/dbraw/zinc/39/10/37/977391037.db2.gz KDWWWXHGLMRAPP-INIZCTEOSA-N 0 1 407.352 3.620 20 5 HHBDMN COc1cccc(CN(Cc2ccc([N+](=O)[O-])cc2OC)C2CCC(O)CC2)c1 ZINC000430212512 977395677 /nfs/dbraw/zinc/39/56/77/977395677.db2.gz NUIHWQJDPUQDOC-UHFFFAOYSA-N 0 1 400.475 3.918 20 5 HHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430292348 977452366 /nfs/dbraw/zinc/45/23/66/977452366.db2.gz ISSVMULUSVJYIQ-RDJZCZTQSA-N 0 1 421.457 3.691 20 5 HHBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430551005 977627178 /nfs/dbraw/zinc/62/71/78/977627178.db2.gz HJTZPMHYKQADLN-UHFFFAOYSA-N 0 1 415.515 3.778 20 5 HHBDMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431166392 978066920 /nfs/dbraw/zinc/06/69/20/978066920.db2.gz IYTMUEFFGPKBPU-MRXNPFEDSA-N 0 1 418.291 3.752 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccco1 ZINC000431814756 978533147 /nfs/dbraw/zinc/53/31/47/978533147.db2.gz UCKDLRQFUJRWCY-HNNXBMFYSA-N 0 1 410.268 3.763 20 5 HHBDMN C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000431920702 978602095 /nfs/dbraw/zinc/60/20/95/978602095.db2.gz FNQUBOIAFPBCHG-GOEBONIOSA-N 0 1 423.922 3.580 20 5 HHBDMN CCc1c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[nH]nc1-c1ccncc1 ZINC000433084880 979065261 /nfs/dbraw/zinc/06/52/61/979065261.db2.gz SFDHABXJAGILDP-UHFFFAOYSA-N 0 1 416.235 3.957 20 5 HHBDMN COc1ccccc1-c1noc(C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000433160331 979108014 /nfs/dbraw/zinc/10/80/14/979108014.db2.gz GSZXPIUWNXTAPK-UHFFFAOYSA-N 0 1 424.457 3.912 20 5 HHBDMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433166446 979111371 /nfs/dbraw/zinc/11/13/71/979111371.db2.gz XNOGTQKOFMCVJF-BFUOFWGJSA-N 0 1 403.504 3.576 20 5 HHBDMN CC1(C)C[C@H](Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433236101 979167966 /nfs/dbraw/zinc/16/79/66/979167966.db2.gz XARYVNHAXDIVBQ-LEWJYISDSA-N 0 1 408.502 3.879 20 5 HHBDMN CN(C)CCN(Cc1ccccn1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000433427987 979297623 /nfs/dbraw/zinc/29/76/23/979297623.db2.gz RGYZRGMXXUSKDS-UHFFFAOYSA-N 0 1 404.470 3.789 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000434237887 980006980 /nfs/dbraw/zinc/00/69/80/980006980.db2.gz TYVUYYMUDILMHY-ZDUSSCGKSA-N 0 1 405.886 3.614 20 5 HHBDMN C[C@@H](Nc1ccc(C(=O)N2CCC(c3cnc[nH]3)CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000434293550 980053213 /nfs/dbraw/zinc/05/32/13/980053213.db2.gz PXBLTVDMOPFCAU-OAHLLOKOSA-N 0 1 420.473 3.906 20 5 HHBDMN CC(=O)NC[C@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000434988365 980552786 /nfs/dbraw/zinc/55/27/86/980552786.db2.gz RKMQFKVSHVIVSS-QGZVFWFLSA-N 0 1 401.438 3.874 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1[N+](=O)[O-] ZINC000435748103 981014299 /nfs/dbraw/zinc/01/42/99/981014299.db2.gz MTHYGHNLYRWIQP-VIFPVBQESA-N 0 1 417.413 3.766 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)COc4ccc([N+](=O)[O-])c(C)c4)C3)[nH]c2c1 ZINC000435765535 981021371 /nfs/dbraw/zinc/02/13/71/981021371.db2.gz WJPNWFAMZKLTRB-MRXNPFEDSA-N 0 1 408.458 3.873 20 5 HHBDMN C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCCC[C@H]1C ZINC000436098545 981199203 /nfs/dbraw/zinc/19/92/03/981199203.db2.gz KEFBLHNIPRIWIT-KGLIPLIRSA-N 0 1 413.468 3.952 20 5 HHBDMN C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000436961982 981649351 /nfs/dbraw/zinc/64/93/51/981649351.db2.gz WAFANCUGXYYTDZ-KPZWWZAWSA-N 0 1 407.829 3.516 20 5 HHBDMN O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436965089 981651856 /nfs/dbraw/zinc/65/18/56/981651856.db2.gz KAXXDNKMPGEADJ-UHFFFAOYSA-N 0 1 423.391 3.714 20 5 HHBDMN CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000436985883 981668616 /nfs/dbraw/zinc/66/86/16/981668616.db2.gz DIXPJPJTQZPNJG-LPHOPBHVSA-N 0 1 405.401 3.532 20 5 HHBDMN CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000436985883 981668622 /nfs/dbraw/zinc/66/86/22/981668622.db2.gz DIXPJPJTQZPNJG-LPHOPBHVSA-N 0 1 405.401 3.532 20 5 HHBDMN Cc1ncn(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)cc2)c1C ZINC000461218153 982930458 /nfs/dbraw/zinc/93/04/58/982930458.db2.gz NRLWEAJUBIPYMM-UHFFFAOYSA-N 0 1 423.454 3.746 20 5 HHBDMN Cc1c(Br)cc(S(=O)(=O)Nc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000438766720 983057936 /nfs/dbraw/zinc/05/79/36/983057936.db2.gz SJATYFWPGFTFLK-UHFFFAOYSA-N 0 1 410.249 3.948 20 5 HHBDMN Cc1c(CC(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cccc1[N+](=O)[O-] ZINC000438907104 983146934 /nfs/dbraw/zinc/14/69/34/983146934.db2.gz KKAVQXKSEGOBKO-UHFFFAOYSA-N 0 1 424.501 3.899 20 5 HHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000439734000 983519075 /nfs/dbraw/zinc/51/90/75/983519075.db2.gz PEOZYMVFVGYFEW-ZDUSSCGKSA-N 0 1 422.407 3.964 20 5 HHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000440303962 983712566 /nfs/dbraw/zinc/71/25/66/983712566.db2.gz LCVQVQVXJICGLA-UHFFFAOYSA-N 0 1 411.487 3.855 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000440305047 983712903 /nfs/dbraw/zinc/71/29/03/983712903.db2.gz NYLMBHAKOIJTBT-UHFFFAOYSA-N 0 1 403.866 3.791 20 5 HHBDMN COc1ccc(OCCN2CCC(Oc3ccc(F)cc3F)CC2)c([N+](=O)[O-])c1 ZINC000441185460 984105588 /nfs/dbraw/zinc/10/55/88/984105588.db2.gz APEROSQNAFTNBJ-UHFFFAOYSA-N 0 1 408.401 3.804 20 5 HHBDMN Cc1ccc([C@@H](Cn2ccnc2)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441384342 984222965 /nfs/dbraw/zinc/22/29/65/984222965.db2.gz NQQCDILROAXZBB-DYESRHJHSA-N 0 1 407.474 3.766 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCOc2ccc(F)cc21 ZINC000462141341 985112290 /nfs/dbraw/zinc/11/22/90/985112290.db2.gz PFPDYLAAJMAEMB-GFCCVEGCSA-N 0 1 421.233 3.843 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCOc2ccc(F)cc21 ZINC000462141342 985112385 /nfs/dbraw/zinc/11/23/85/985112385.db2.gz PFPDYLAAJMAEMB-LBPRGKRZSA-N 0 1 421.233 3.843 20 5 HHBDMN CCc1nc([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cs1 ZINC000462151176 985122835 /nfs/dbraw/zinc/12/28/35/985122835.db2.gz OBAAGVOXRCGGHE-ZETCQYMHSA-N 0 1 410.304 3.960 20 5 HHBDMN C[C@H](COc1cccc(F)c1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462185426 985166878 /nfs/dbraw/zinc/16/68/78/985166878.db2.gz DQALVAWGUILHFQ-SECBINFHSA-N 0 1 423.249 3.787 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000442775309 985212804 /nfs/dbraw/zinc/21/28/04/985212804.db2.gz FONVVQAYNWSKOH-LBPRGKRZSA-N 0 1 421.233 3.843 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000462311768 985298881 /nfs/dbraw/zinc/29/88/81/985298881.db2.gz GGJQWDUJLQOVGB-BEFAXECRSA-N 0 1 423.560 3.580 20 5 HHBDMN CCO[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000462321536 985310688 /nfs/dbraw/zinc/31/06/88/985310688.db2.gz NLKOJMILYMDKLR-QWHCGFSZSA-N 0 1 409.291 3.528 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)c1[N+](=O)[O-] ZINC000442977286 985313253 /nfs/dbraw/zinc/31/32/53/985313253.db2.gz ZHXXRRNRYUTKCF-UHFFFAOYSA-N 0 1 421.295 3.837 20 5 HHBDMN CN(C)[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000462425823 985397288 /nfs/dbraw/zinc/39/72/88/985397288.db2.gz ICMDTEJTFFCXFC-ZDUSSCGKSA-N 0 1 424.331 3.544 20 5 HHBDMN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000462425993 985397908 /nfs/dbraw/zinc/39/79/08/985397908.db2.gz FZWWCFJOVUSDSM-QMMMGPOBSA-N 0 1 419.242 3.670 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000462457441 985419429 /nfs/dbraw/zinc/41/94/29/985419429.db2.gz ZTIUKXKRBYNJLG-INIZCTEOSA-N 0 1 402.520 3.672 20 5 HHBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)nc1OCc1ccccc1 ZINC000462489408 985443626 /nfs/dbraw/zinc/44/36/26/985443626.db2.gz KBGDBZSICHFWHS-QGZVFWFLSA-N 0 1 420.473 3.948 20 5 HHBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)nc1OCc1ccccc1 ZINC000462489408 985443629 /nfs/dbraw/zinc/44/36/29/985443629.db2.gz KBGDBZSICHFWHS-QGZVFWFLSA-N 0 1 420.473 3.948 20 5 HHBDMN O=C1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1CCOc1ccccc1 ZINC000462727293 985674445 /nfs/dbraw/zinc/67/44/45/985674445.db2.gz CNCFCMVTZBLYMC-KRWDZBQOSA-N 0 1 421.453 3.624 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443649445 985844600 /nfs/dbraw/zinc/84/46/00/985844600.db2.gz HOCXORWUEWULNO-OAHLLOKOSA-N 0 1 419.865 3.739 20 5 HHBDMN O=C(C[C@H]1CCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000468265185 985967496 /nfs/dbraw/zinc/96/74/96/985967496.db2.gz CWBZRKUYRNDPLA-CQSZACIVSA-N 0 1 415.471 3.692 20 5 HHBDMN COc1ccc(CN2CCCN(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000443952131 986159848 /nfs/dbraw/zinc/15/98/48/986159848.db2.gz YNDOYCBKQUCGOB-UHFFFAOYSA-N 0 1 412.490 3.960 20 5 HHBDMN CCOc1ccc(NC(=O)CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c([N+](=O)[O-])c1 ZINC000463203142 986174567 /nfs/dbraw/zinc/17/45/67/986174567.db2.gz JUXALAOTDSWJSO-UKHYVGRKSA-N 0 1 419.522 3.584 20 5 HHBDMN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)NCCN1CCC1 ZINC000443968931 986176167 /nfs/dbraw/zinc/17/61/67/986176167.db2.gz DVRLIABEGJZDFF-VKAVYKQESA-N 0 1 422.510 3.957 20 5 HHBDMN CN(CC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000463339264 986307467 /nfs/dbraw/zinc/30/74/67/986307467.db2.gz KWOILUOKMDAUGB-HSZRJFAPSA-N 0 1 415.453 3.813 20 5 HHBDMN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000463369707 986335591 /nfs/dbraw/zinc/33/55/91/986335591.db2.gz SCCWJTBMEHXQFA-UHFFFAOYSA-N 0 1 407.392 3.962 20 5 HHBDMN CC(C)CCSc1ccc(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000444382475 986557870 /nfs/dbraw/zinc/55/78/70/986557870.db2.gz GELGWTMJJWZVPN-MRXNPFEDSA-N 0 1 423.579 3.650 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cccc(Nc3nc(C)cs3)c2)ccc1[N+](=O)[O-] ZINC000468854676 986564565 /nfs/dbraw/zinc/56/45/65/986564565.db2.gz GQWIXUSQYSQIPT-UHFFFAOYSA-N 0 1 420.472 3.913 20 5 HHBDMN CCc1[nH]nc(C(=O)N(Cc2cccc(Br)c2)CC2CC2)c1[N+](=O)[O-] ZINC000444411888 986592315 /nfs/dbraw/zinc/59/23/15/986592315.db2.gz OAVSLTJQYFYUIS-UHFFFAOYSA-N 0 1 407.268 3.695 20 5 HHBDMN COc1ccc(Cn2nc(C)c(CNCc3ccc(OC)c([N+](=O)[O-])c3)c2C)cc1 ZINC000463740449 986727823 /nfs/dbraw/zinc/72/78/23/986727823.db2.gz TYDZDTJOAOTWEX-UHFFFAOYSA-N 0 1 410.474 3.763 20 5 HHBDMN CC1(C)CCCN(CCNC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444605063 986792218 /nfs/dbraw/zinc/79/22/18/986792218.db2.gz BIQJUEBSYFASJH-UHFFFAOYSA-N 0 1 413.468 3.811 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)n2)o1 ZINC000444743887 986909935 /nfs/dbraw/zinc/90/99/35/986909935.db2.gz NENHHJLFTSUTGV-UHFFFAOYSA-N 0 1 421.363 3.898 20 5 HHBDMN CCC[C@]1(C(=O)OCC)CCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000444773532 986932185 /nfs/dbraw/zinc/93/21/85/986932185.db2.gz DVESDYNIZZXALJ-OAQYLSRUSA-N 0 1 401.463 3.990 20 5 HHBDMN CCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1OCCC ZINC000469254873 986974283 /nfs/dbraw/zinc/97/42/83/986974283.db2.gz VZGQNNJIDUFWQT-UHFFFAOYSA-N 0 1 424.475 3.982 20 5 HHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000444934795 987078950 /nfs/dbraw/zinc/07/89/50/987078950.db2.gz YIFGEMBJDALESJ-UHFFFAOYSA-N 0 1 404.511 3.568 20 5 HHBDMN CN(C)[C@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000470084783 987985176 /nfs/dbraw/zinc/98/51/76/987985176.db2.gz ZUUCQVCHUAEHML-GOSISDBHSA-N 0 1 424.423 3.758 20 5 HHBDMN Cc1cn([C@H](C)c2ccccc2)nc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000471582756 989786681 /nfs/dbraw/zinc/78/66/81/989786681.db2.gz YTGZBQWVVASKGV-MRXNPFEDSA-N 0 1 414.487 3.693 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000471884506 990057998 /nfs/dbraw/zinc/05/79/98/990057998.db2.gz MEINAUKZASZTMR-QGZVFWFLSA-N 0 1 421.837 3.850 20 5 HHBDMN CCOCCOCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000467086132 992392235 /nfs/dbraw/zinc/39/22/35/992392235.db2.gz QNJXAZOEVJQGEE-UHFFFAOYSA-N 0 1 408.476 3.566 20 5 HHBDMN Cc1ccc(NC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000467105555 992414317 /nfs/dbraw/zinc/41/43/17/992414317.db2.gz XATOBCNPQONARI-OAHLLOKOSA-N 0 1 420.351 3.951 20 5 HHBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)CC[C@H]1CCCO1 ZINC000467150935 992468276 /nfs/dbraw/zinc/46/82/76/992468276.db2.gz XTDNHUIVQOSLBD-CZUORRHYSA-N 0 1 404.492 3.546 20 5 HHBDMN O=C(c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000481506910 994339168 /nfs/dbraw/zinc/33/91/68/994339168.db2.gz REZJTADPJJSXQB-UHFFFAOYSA-N 0 1 408.502 3.907 20 5 HHBDMN CC[C@H](NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000481548243 994380682 /nfs/dbraw/zinc/38/06/82/994380682.db2.gz UPJVVDHTYHHEFT-FQEVSTJZSA-N 0 1 405.520 3.865 20 5 HHBDMN CCc1nnc(-c2ccc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)cc2)o1 ZINC000481971673 994862610 /nfs/dbraw/zinc/86/26/10/994862610.db2.gz HOCAGSIFJLIXDW-UHFFFAOYSA-N 0 1 402.432 3.625 20 5 HHBDMN COc1cccc([C@H]2[C@@H](NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CCN2C2CC2)c1 ZINC000482102898 995049094 /nfs/dbraw/zinc/04/90/94/995049094.db2.gz MCJMYDXLKJHNJJ-VXKWHMMOSA-N 0 1 420.469 3.793 20 5 HHBDMN CC1=C(C)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000482883752 995815582 /nfs/dbraw/zinc/81/55/82/995815582.db2.gz FDTLCVMXCGQYPV-UHFFFAOYSA-N 0 1 415.471 3.578 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1OC)N1CCCCC1 ZINC000475025352 995879096 /nfs/dbraw/zinc/87/90/96/995879096.db2.gz ZBLDCSXWXQLMHE-LJQANCHMSA-N 0 1 413.474 3.569 20 5 HHBDMN CCCOc1ccc(C(C)(C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000483282589 996079795 /nfs/dbraw/zinc/07/97/95/996079795.db2.gz PUTFKJHCUUDSLK-UHFFFAOYSA-N 0 1 401.463 3.856 20 5 HHBDMN CC(C)C[C@@]1(CO)CCCN1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000475690356 996302542 /nfs/dbraw/zinc/30/25/42/996302542.db2.gz AOHAEYGNFRFQRR-HXUWFJFHSA-N 0 1 418.519 3.530 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000483916146 996467053 /nfs/dbraw/zinc/46/70/53/996467053.db2.gz MUVFXJNOCICOFQ-UHFFFAOYSA-N 0 1 404.511 3.568 20 5 HHBDMN Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(-c2nc(C3CC3)no2)c1 ZINC000476385129 996828414 /nfs/dbraw/zinc/82/84/14/996828414.db2.gz JCSOADKLEGLQSX-UHFFFAOYSA-N 0 1 414.443 3.940 20 5 HHBDMN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(-c2nc(C3CC3)no2)c1 ZINC000476396295 996850476 /nfs/dbraw/zinc/85/04/76/996850476.db2.gz HQRBMLIVBMTHMS-UHFFFAOYSA-N 0 1 414.443 3.940 20 5 HHBDMN C[C@@H](C[S@@](C)=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000484705313 997043488 /nfs/dbraw/zinc/04/34/88/997043488.db2.gz QHHGTAWSTOYPGA-GUNSETOZSA-N 0 1 412.515 3.646 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000484888631 997255412 /nfs/dbraw/zinc/25/54/12/997255412.db2.gz QBSAFASOAYYBOZ-NSHDSACASA-N 0 1 413.352 3.791 20 5 HHBDMN COC1CCN(C2(CNc3ncc([N+](=O)[O-])cc3Br)CCCC2)CC1 ZINC000485190995 997569728 /nfs/dbraw/zinc/56/97/28/997569728.db2.gz HMPXTQVHUGRJDC-UHFFFAOYSA-N 0 1 413.316 3.588 20 5 HHBDMN Cc1ccc(F)cc1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000485394192 997822286 /nfs/dbraw/zinc/82/22/86/997822286.db2.gz FZTFLNKKZRHIPW-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN CCc1[nH]nc(C(=O)N(C)Cc2ccc(Br)cc2Cl)c1[N+](=O)[O-] ZINC000485505372 997962758 /nfs/dbraw/zinc/96/27/58/997962758.db2.gz MYCFJGCOZVBZOZ-UHFFFAOYSA-N 0 1 401.648 3.568 20 5 HHBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000485699344 998162345 /nfs/dbraw/zinc/16/23/45/998162345.db2.gz HBECFWZTUDUONP-NSHDSACASA-N 0 1 406.414 3.719 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(c2ccc(Br)cc2)CC1 ZINC000477561877 998281312 /nfs/dbraw/zinc/28/13/12/998281312.db2.gz IGEWBEMHNAEDPX-UHFFFAOYSA-N 0 1 404.264 3.883 20 5 HHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000477623052 998342251 /nfs/dbraw/zinc/34/22/51/998342251.db2.gz AYHCWQRRSIXVEV-UHFFFAOYSA-N 0 1 414.805 3.809 20 5 HHBDMN CCc1nc(C2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CC2)n[nH]1 ZINC000477723267 998450875 /nfs/dbraw/zinc/45/08/75/998450875.db2.gz WJDKKJHSHWPBRQ-UHFFFAOYSA-N 0 1 408.462 3.633 20 5 HHBDMN CCc1nnc(C2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CC2)[nH]1 ZINC000477723267 998450885 /nfs/dbraw/zinc/45/08/85/998450885.db2.gz WJDKKJHSHWPBRQ-UHFFFAOYSA-N 0 1 408.462 3.633 20 5 HHBDMN CCOc1cc(NC(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)c([N+](=O)[O-])cc1OCC ZINC000486152957 998602393 /nfs/dbraw/zinc/60/23/93/998602393.db2.gz DOPBPUBBHNJADK-VXGBXAGGSA-N 0 1 420.470 3.907 20 5 HHBDMN O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c(F)c1 ZINC000486459790 998779608 /nfs/dbraw/zinc/77/96/08/998779608.db2.gz LYYFGNPVRCWEJT-IIBYNOLFSA-N 0 1 409.421 3.733 20 5 HHBDMN O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000478174975 998803027 /nfs/dbraw/zinc/80/30/27/998803027.db2.gz IXPCUFMZQILGQT-LJQANCHMSA-N 0 1 403.866 3.580 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(F)cc(Br)c1F ZINC000486560973 998826485 /nfs/dbraw/zinc/82/64/85/998826485.db2.gz CGNAXKOPEUAYEW-UHFFFAOYSA-N 0 1 407.192 3.745 20 5 HHBDMN Cc1c(CN[C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000478506824 998999867 /nfs/dbraw/zinc/99/98/67/998999867.db2.gz OLFJYWWFMSEJTD-QGZVFWFLSA-N 0 1 417.531 3.929 20 5 HHBDMN COC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000487368274 999149603 /nfs/dbraw/zinc/14/96/03/999149603.db2.gz SRYLWYDKAKBPMI-ZDUSSCGKSA-N 0 1 405.259 3.568 20 5 HHBDMN Cc1c(CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000478928931 999211486 /nfs/dbraw/zinc/21/14/86/999211486.db2.gz IIIFNOJJNBDRNU-UHFFFAOYSA-N 0 1 400.454 3.506 20 5 HHBDMN Cc1cc(OCC(=O)Nc2cccc(CN3CCSCC3)c2)c(F)cc1[N+](=O)[O-] ZINC000479183437 999314403 /nfs/dbraw/zinc/31/44/03/999314403.db2.gz ORBVMOBDZRXGDN-UHFFFAOYSA-N 0 1 419.478 3.609 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc(-c3ncc(C)o3)c2)cc1[N+](=O)[O-] ZINC000488290346 999425350 /nfs/dbraw/zinc/42/53/50/999425350.db2.gz GJYPKDAYJWBWNG-UHFFFAOYSA-N 0 1 407.379 3.507 20 5 HHBDMN C[C@@H](NC(=O)[C@@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccc2ccccc21 ZINC000488783025 999606433 /nfs/dbraw/zinc/60/64/33/999606433.db2.gz MPYJAXRRHYFTQU-IAGOWNOFSA-N 0 1 421.501 3.847 20 5 HHBDMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000488872607 999633362 /nfs/dbraw/zinc/63/33/62/999633362.db2.gz GWQXPUVHNBKNQH-QGZVFWFLSA-N 0 1 424.501 3.664 20 5 HHBDMN Cc1cc(C[C@H](C)NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 ZINC000489023746 999675201 /nfs/dbraw/zinc/67/52/01/999675201.db2.gz JEALKDISYDYCIA-ZFWWWQNUSA-N 0 1 408.462 3.555 20 5 HHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC000489213643 999723847 /nfs/dbraw/zinc/72/38/47/999723847.db2.gz ICWMONLOILEIKX-KKUMJFAQSA-N 0 1 414.510 3.954 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[C@@H](C)[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000480141982 999729005 /nfs/dbraw/zinc/72/90/05/999729005.db2.gz GMZAGEDEGIKCLQ-UKRRQHHQSA-N 0 1 417.487 3.575 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc5c(c([N+](=O)[O-])c4)OCO5)C3)[nH]c2c1 ZINC000489616615 999803407 /nfs/dbraw/zinc/80/34/07/999803407.db2.gz AJIKLSJEDJIHRU-CYBMUJFWSA-N 0 1 408.414 3.528 20 5 HHBDMN COc1cc(CN2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)ccc1[N+](=O)[O-] ZINC000489962231 999869842 /nfs/dbraw/zinc/86/98/42/999869842.db2.gz BJGISBVTEKSCNX-SFHVURJKSA-N 0 1 412.490 3.946 20 5 HHBDMN Cc1oc(-c2ccsc2)nc1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490371062 999946598 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COCCSc1ccc([C@@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000539307270 1007605295 /nfs/dbraw/zinc/60/52/95/1007605295.db2.gz RQEKYMHAHRNNAQ-OAHLLOKOSA-N 0 1 403.504 3.647 20 5 HHBDMN O=C(CN[C@H](COc1ccccc1)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000539317422 1007615836 /nfs/dbraw/zinc/61/58/36/1007615836.db2.gz SDCCSAPESOHPFH-JOCHJYFZSA-N 0 1 417.465 3.894 20 5 HHBDMN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Br)cc(Cl)c1O ZINC000535654030 1007665377 /nfs/dbraw/zinc/66/53/77/1007665377.db2.gz FBGITFWBEOTQNO-UHFFFAOYSA-N 0 1 401.600 3.734 20 5 HHBDMN Cc1c([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000539365356 1007668791 /nfs/dbraw/zinc/66/87/91/1007668791.db2.gz QKFMEWAJPJXMHE-AWEZNQCLSA-N 0 1 411.437 3.542 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000539398260 1007704919 /nfs/dbraw/zinc/70/49/19/1007704919.db2.gz SAFNJJFLAMMVKD-UHFFFAOYSA-N 0 1 424.438 3.743 20 5 HHBDMN CN1CC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535679588 1007707043 /nfs/dbraw/zinc/70/70/43/1007707043.db2.gz JRLMBTLKBKKBFP-VBKZILBWSA-N 0 1 421.856 3.575 20 5 HHBDMN CC1(C)CN(C2(CNc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CCCCC2)CCO1 ZINC000517490250 1007715158 /nfs/dbraw/zinc/71/51/58/1007715158.db2.gz MQQXCONCFFUBAP-UHFFFAOYSA-N 0 1 416.522 3.705 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000539502666 1007812555 /nfs/dbraw/zinc/81/25/55/1007812555.db2.gz LGUWSJYIRGDQDL-UHFFFAOYSA-N 0 1 415.465 3.592 20 5 HHBDMN O=[N+]([O-])c1cccc(CNCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000539526759 1007835257 /nfs/dbraw/zinc/83/52/57/1007835257.db2.gz ZDADKKQRPLMUEE-UHFFFAOYSA-N 0 1 415.446 3.825 20 5 HHBDMN CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(=O)Nc1c(C)cccc1C ZINC000533533360 1007856745 /nfs/dbraw/zinc/85/67/45/1007856745.db2.gz MDAITNFRFOMHQP-UHFFFAOYSA-N 0 1 412.490 3.809 20 5 HHBDMN COc1cc(CN(C)CCc2ncc(C)s2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539823766 1008118178 /nfs/dbraw/zinc/11/81/78/1008118178.db2.gz LFRJQIRSSYQARE-UHFFFAOYSA-N 0 1 419.425 3.984 20 5 HHBDMN CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000540117887 1008296970 /nfs/dbraw/zinc/29/69/70/1008296970.db2.gz USAILYFZNVUNJB-YOEHRIQHSA-N 0 1 417.487 3.799 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000518445554 1008310091 /nfs/dbraw/zinc/31/00/91/1008310091.db2.gz QBWLJMUQGZTDGH-UHFFFAOYSA-N 0 1 408.458 3.562 20 5 HHBDMN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000540175723 1008323313 /nfs/dbraw/zinc/32/33/13/1008323313.db2.gz WJFRJLZUGIBPPQ-INIZCTEOSA-N 0 1 405.520 3.785 20 5 HHBDMN O=C(N[C@@H]1C[C@@H]1c1cccc(Br)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518613303 1008365495 /nfs/dbraw/zinc/36/54/95/1008365495.db2.gz YKKAJQMQFHOXOH-IUODEOHRSA-N 0 1 401.220 3.520 20 5 HHBDMN COc1cccc(NC(=O)[C@H](NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000518845779 1008443019 /nfs/dbraw/zinc/44/30/19/1008443019.db2.gz RMIUDVMYLUBJSY-JOCHJYFZSA-N 0 1 421.453 3.952 20 5 HHBDMN Cc1ccc([C@H](C)NCC(=O)N[C@@H](c2nccs2)c2ccccc2)cc1[N+](=O)[O-] ZINC000540475573 1008446595 /nfs/dbraw/zinc/44/65/95/1008446595.db2.gz PQMUMXSWSOHAEH-MGPUTAFESA-N 0 1 410.499 3.916 20 5 HHBDMN O=C(Nc1ccc(I)cc1Cl)c1cc(O)cc([N+](=O)[O-])c1 ZINC000543033333 1008616786 /nfs/dbraw/zinc/61/67/86/1008616786.db2.gz RPSSPSRHXRNABW-UHFFFAOYSA-N 0 1 418.574 3.811 20 5 HHBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000549099857 1008664533 /nfs/dbraw/zinc/66/45/33/1008664533.db2.gz RHPGEKWOYJHHRI-IBGZPJMESA-N 0 1 400.479 3.599 20 5 HHBDMN Cc1sc(S(=O)(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000545939015 1009009249 /nfs/dbraw/zinc/00/92/49/1009009249.db2.gz WEPWLTOWRFBYHA-AWEZNQCLSA-N 0 1 406.489 3.675 20 5 HHBDMN COc1ccc2oc([C@@H](C)NCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)c(C)c2c1 ZINC000543511792 1009101673 /nfs/dbraw/zinc/10/16/73/1009101673.db2.gz FVVORVJBJNJBQJ-CQSZACIVSA-N 0 1 409.442 3.898 20 5 HHBDMN CC[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1Cc1ccccc1 ZINC000546103703 1009127023 /nfs/dbraw/zinc/12/70/23/1009127023.db2.gz HZAYKAZCXJLERS-IBGZPJMESA-N 0 1 407.474 3.741 20 5 HHBDMN O=C(NCCCCN1CCOCC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000543550779 1009154069 /nfs/dbraw/zinc/15/40/69/1009154069.db2.gz YIJFERJOGHWBBB-UHFFFAOYSA-N 0 1 421.563 3.719 20 5 HHBDMN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000520002433 1009155108 /nfs/dbraw/zinc/15/51/08/1009155108.db2.gz BHOAXIPQQHNIOQ-LSDHHAIUSA-N 0 1 417.893 3.579 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543560579 1009167336 /nfs/dbraw/zinc/16/73/36/1009167336.db2.gz IWSMONSGTWWLGM-PXNSSMCTSA-N 0 1 401.438 3.833 20 5 HHBDMN COc1cc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])ccc1OC1CCCC1 ZINC000520156940 1009306654 /nfs/dbraw/zinc/30/66/54/1009306654.db2.gz MWIISXPYYNIQEE-UHFFFAOYSA-N 0 1 424.450 3.542 20 5 HHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1CCN(Cc2ccncc2)CC1 ZINC000544194915 1009797213 /nfs/dbraw/zinc/79/72/13/1009797213.db2.gz BPSGBIUPCHRJAO-UHFFFAOYSA-N 0 1 420.922 3.516 20 5 HHBDMN CC1(C)CN(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)CCCCC2)CCO1 ZINC000520870057 1009923852 /nfs/dbraw/zinc/92/38/52/1009923852.db2.gz PNLSWLYXRRXBBW-UHFFFAOYSA-N 0 1 409.914 3.792 20 5 HHBDMN CCc1ccc([C@@H](NC[C@H](C(C)C)N2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544367889 1009996203 /nfs/dbraw/zinc/99/62/03/1009996203.db2.gz JRFYYGRBFKAQBC-IRLDBZIGSA-N 0 1 401.507 3.786 20 5 HHBDMN NC(=O)c1ccc(NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000521012389 1010049394 /nfs/dbraw/zinc/04/93/94/1010049394.db2.gz FUGYTPDXMROCLS-QGZVFWFLSA-N 0 1 402.882 3.814 20 5 HHBDMN Cc1c([C@@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cnn1-c1ccc(F)cc1 ZINC000544431593 1010054670 /nfs/dbraw/zinc/05/46/70/1010054670.db2.gz CPBPQJVQQIFMNI-CQSZACIVSA-N 0 1 411.437 3.826 20 5 HHBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc3ncsc3c2)c1 ZINC000521280245 1010274955 /nfs/dbraw/zinc/27/49/55/1010274955.db2.gz PVQFXYGCVPAECT-UHFFFAOYSA-N 0 1 414.262 3.768 20 5 HHBDMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1C(F)(F)F ZINC000551018337 1010320285 /nfs/dbraw/zinc/32/02/85/1010320285.db2.gz BAOJMVOEANHPPS-UHFFFAOYSA-N 0 1 418.349 3.509 20 5 HHBDMN CCN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544847916 1010433332 /nfs/dbraw/zinc/43/33/32/1010433332.db2.gz QAYGRLYWUHNXGV-QGZVFWFLSA-N 0 1 419.428 3.933 20 5 HHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000551410892 1010568783 /nfs/dbraw/zinc/56/87/83/1010568783.db2.gz ILUGYHCWPXWCRD-JXFKEZNVSA-N 0 1 407.474 3.565 20 5 HHBDMN CC(C)([C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000548274052 1010576114 /nfs/dbraw/zinc/57/61/14/1010576114.db2.gz UJQVXZGYYNPSTE-GOSISDBHSA-N 0 1 404.417 3.614 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc([C@H]4C[C@@H]4C)no3)cc2)cc1[N+](=O)[O-] ZINC000545067732 1010589550 /nfs/dbraw/zinc/58/95/50/1010589550.db2.gz POMDEXBMFQCRKH-LRDDRELGSA-N 0 1 414.443 3.877 20 5 HHBDMN CCOc1cccc(N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)c1[N+](=O)[O-] ZINC000545166343 1010663359 /nfs/dbraw/zinc/66/33/59/1010663359.db2.gz SZJQZFUEOQDMQK-MRXNPFEDSA-N 0 1 401.463 3.697 20 5 HHBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000521858021 1010666872 /nfs/dbraw/zinc/66/68/72/1010666872.db2.gz PJSFAYMJHMOSCI-IBGZPJMESA-N 0 1 402.882 3.857 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000521933094 1010721387 /nfs/dbraw/zinc/72/13/87/1010721387.db2.gz HSOFUZYOIJQKDN-SFHVURJKSA-N 0 1 414.487 3.868 20 5 HHBDMN COc1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000522616449 1011115120 /nfs/dbraw/zinc/11/51/20/1011115120.db2.gz LXNYREGPBRSYEQ-UHFFFAOYSA-N 0 1 424.784 3.754 20 5 HHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1OC ZINC000541060302 1011700592 /nfs/dbraw/zinc/70/05/92/1011700592.db2.gz OWSYWBSSYHFVGU-XYJFISCASA-N 0 1 419.522 3.519 20 5 HHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1OC ZINC000541060295 1011700891 /nfs/dbraw/zinc/70/08/91/1011700891.db2.gz OWSYWBSSYHFVGU-JZXOWHBKSA-N 0 1 419.522 3.519 20 5 HHBDMN Cc1ccc([C@H](C)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cc1[N+](=O)[O-] ZINC000551811817 1011969081 /nfs/dbraw/zinc/96/90/81/1011969081.db2.gz HCHQVFDINMQVTK-NPMXOYFQSA-N 0 1 422.485 3.979 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000541278483 1011971591 /nfs/dbraw/zinc/97/15/91/1011971591.db2.gz PVEMSQJFVVVQAK-JOCHJYFZSA-N 0 1 410.495 3.942 20 5 HHBDMN Cc1c([C@@H](C)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000536806111 1012028671 /nfs/dbraw/zinc/02/86/71/1012028671.db2.gz MMRFUFQXPNDXDV-QGZVFWFLSA-N 0 1 417.531 3.929 20 5 HHBDMN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Br)cc1 ZINC000537044701 1012364459 /nfs/dbraw/zinc/36/44/59/1012364459.db2.gz RVJIUDNRWPWBOH-GFCCVEGCSA-N 0 1 404.264 3.597 20 5 HHBDMN COc1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cc1[N+](=O)[O-] ZINC000552414756 1012431129 /nfs/dbraw/zinc/43/11/29/1012431129.db2.gz BKTNDZKUTSOUCE-MRXNPFEDSA-N 0 1 405.401 3.699 20 5 HHBDMN COc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)c([N+](=O)[O-])c1 ZINC000552441734 1012461606 /nfs/dbraw/zinc/46/16/06/1012461606.db2.gz VDDGQQGPOOLRTF-INIZCTEOSA-N 0 1 405.401 3.699 20 5 HHBDMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1 ZINC000537125482 1012508622 /nfs/dbraw/zinc/50/86/22/1012508622.db2.gz QDSJDEDYVLIWGH-UHFFFAOYSA-N 0 1 424.500 3.847 20 5 HHBDMN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(-c2cccnc2)cc1 ZINC000537133182 1012519232 /nfs/dbraw/zinc/51/92/32/1012519232.db2.gz JMURXFMOWUDFQU-MRXNPFEDSA-N 0 1 402.454 3.897 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541702419 1012551292 /nfs/dbraw/zinc/55/12/92/1012551292.db2.gz ZGEHMJXTHMHFKE-APWZRJJASA-N 0 1 417.437 3.533 20 5 HHBDMN CCOc1ccc([C@@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000552717469 1012727986 /nfs/dbraw/zinc/72/79/86/1012727986.db2.gz MVOCBBZUAMHLBO-OAHLLOKOSA-N 0 1 401.463 3.706 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4C)C3)[nH]c2c1 ZINC000541913088 1012770906 /nfs/dbraw/zinc/77/09/06/1012770906.db2.gz WWTWWCDCQGJBTH-OAHLLOKOSA-N 0 1 414.487 3.656 20 5 HHBDMN Cc1cc(C)c([N+](=O)[O-])c(NCc2n[nH]c(-c3ccc(Br)cc3)n2)n1 ZINC000541932208 1012793844 /nfs/dbraw/zinc/79/38/44/1012793844.db2.gz IJXHSVDOJLTHAJ-UHFFFAOYSA-N 0 1 403.240 3.766 20 5 HHBDMN Cc1cc(C)c([N+](=O)[O-])c(NCc2nc(-c3ccc(Br)cc3)n[nH]2)n1 ZINC000541932208 1012793853 /nfs/dbraw/zinc/79/38/53/1012793853.db2.gz IJXHSVDOJLTHAJ-UHFFFAOYSA-N 0 1 403.240 3.766 20 5 HHBDMN Cc1ccc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000524122158 1012900181 /nfs/dbraw/zinc/90/01/81/1012900181.db2.gz FWUJHBHLCGUBNL-MJGOQNOKSA-N 0 1 417.531 3.577 20 5 HHBDMN O=C1[C@H](NCc2cccc([N+](=O)[O-])c2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000537435991 1012925843 /nfs/dbraw/zinc/92/58/43/1012925843.db2.gz ZVMSKADCUWAATI-GOSISDBHSA-N 0 1 407.392 3.894 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2cc(-c3nc(-c4ccc(Br)cn4)no3)[nH]n2)cc1 ZINC000904847271 1071919037 /nfs/dbraw/zinc/91/90/37/1071919037.db2.gz ZCPJMJFDSTXSEQ-UHFFFAOYSA-N 0 1 413.191 3.859 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2cc(Cl)ccc2SC)cc1[N+](=O)[O-] ZINC000488214840 1072130444 /nfs/dbraw/zinc/13/04/44/1072130444.db2.gz FCSIWUYKAYFOFA-UHFFFAOYSA-N 0 1 406.844 3.919 20 5 HHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(-c3cc[nH]n3)c2)ccc1Br ZINC000760336972 1072255778 /nfs/dbraw/zinc/25/57/78/1072255778.db2.gz CBUIWBKGYVAPCA-UHFFFAOYSA-N 0 1 423.248 3.548 20 5 HHBDMN CCOCc1cccc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000760357776 1072275347 /nfs/dbraw/zinc/27/53/47/1072275347.db2.gz XVUOWHBKNDUHGQ-UHFFFAOYSA-N 0 1 415.265 3.695 20 5 HHBDMN O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)N1CCCCC1 ZINC000912764425 1072279388 /nfs/dbraw/zinc/27/93/88/1072279388.db2.gz IVBIUFKXRKRVAJ-UHFFFAOYSA-N 0 1 423.878 3.675 20 5 HHBDMN Cc1nc2cccc(C(=O)N[C@@H](CC(=O)OC(C)C)c3ccccc3[N+](=O)[O-])c2[nH]1 ZINC000554989695 1073032167 /nfs/dbraw/zinc/03/21/67/1073032167.db2.gz SOTYLDXLUDBNHG-KRWDZBQOSA-N 0 1 410.430 3.592 20 5 HHBDMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000590388244 1073808510 /nfs/dbraw/zinc/80/85/10/1073808510.db2.gz CBRURDFMBGCMPT-UHFFFAOYSA-N 0 1 412.490 3.791 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc([N+](=O)[O-])c3Br)n2)cc1 ZINC000760786635 1073972962 /nfs/dbraw/zinc/97/29/62/1073972962.db2.gz CXOYRRMGYVYXMF-UHFFFAOYSA-N 0 1 402.208 3.703 20 5 HHBDMN Cc1c(NC(=O)[C@H](C)[NH+]2CCC(c3ccccc3C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000615165548 1074079250 /nfs/dbraw/zinc/07/92/50/1074079250.db2.gz JATXCOBHDGCUGZ-HNNXBMFYSA-N 0 1 411.458 3.808 20 5 HHBDMN CCc1c(NC(=O)c2cccc([N+](=O)[O-])c2Br)[nH]nc1-c1ccncc1 ZINC000760810680 1074142695 /nfs/dbraw/zinc/14/26/95/1074142695.db2.gz RMWJIDRAVYXPDO-UHFFFAOYSA-N 0 1 416.235 3.957 20 5 HHBDMN Cc1ccc([C@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000574507273 1075286462 /nfs/dbraw/zinc/28/64/62/1075286462.db2.gz RKYPCNLSNYWXOH-IBGZPJMESA-N 0 1 400.479 3.517 20 5 HHBDMN COc1ccc([C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccco2)cc1 ZINC001212184537 1075686889 /nfs/dbraw/zinc/68/68/89/1075686889.db2.gz KKZQGLZMVOIPLE-SFHVURJKSA-N 0 1 422.846 3.918 20 5 HHBDMN CCOc1nc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC001164691537 719811927 /nfs/dbraw/zinc/81/19/27/719811927.db2.gz GMLIHUNQLKQQQY-UHFFFAOYSA-N 0 1 417.535 3.788 20 5 HHBDMN O=[N+]([O-])c1cnc(Cl)cc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164694989 719888083 /nfs/dbraw/zinc/88/80/83/719888083.db2.gz IWDHGEIXZRZEHZ-UHFFFAOYSA-N 0 1 408.911 3.576 20 5 HHBDMN COc1cccc(OC)c1CN1CCC(N(C)c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001165020365 721838105 /nfs/dbraw/zinc/83/81/05/721838105.db2.gz INLHJERUSKWGHV-UHFFFAOYSA-N 0 1 420.897 3.761 20 5 HHBDMN C[C@H]1C[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000301611804 971002206 /nfs/dbraw/zinc/00/22/06/971002206.db2.gz FBXNIDGXMOTHCH-LPHOPBHVSA-N 0 1 419.485 3.634 20 5 HHBDMN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000537540143 1013054773 /nfs/dbraw/zinc/05/47/73/1013054773.db2.gz LPAVNKBMXBNKBK-INIZCTEOSA-N 0 1 413.478 3.546 20 5 HHBDMN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000537544927 1013063101 /nfs/dbraw/zinc/06/31/01/1013063101.db2.gz UCIFIPSFBBOWQH-MRXNPFEDSA-N 0 1 413.478 3.546 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(c4ccc([N+](=O)[O-])cc4S(C)(=O)=O)C3)[nH]c2c1 ZINC000302773142 971314305 /nfs/dbraw/zinc/31/43/05/971314305.db2.gz NQMLOOHTRWWREU-AWEZNQCLSA-N 0 1 414.487 3.567 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000302795697 971321554 /nfs/dbraw/zinc/32/15/54/971321554.db2.gz ZVLUGGCCRFYPJB-UHFFFAOYSA-N 0 1 403.866 3.651 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000303105203 971506797 /nfs/dbraw/zinc/50/67/97/971506797.db2.gz DPDBIZXVQUAJBE-UHFFFAOYSA-N 0 1 402.432 3.877 20 5 HHBDMN Cc1ccnc(OC2CCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000542184681 1013124652 /nfs/dbraw/zinc/12/46/52/1013124652.db2.gz IALRURJDIQGDQA-UHFFFAOYSA-N 0 1 407.474 3.742 20 5 HHBDMN C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000005677678 960763301 /nfs/dbraw/zinc/76/33/01/960763301.db2.gz ROFXBPAXOVQERH-SECBINFHSA-N 0 1 405.386 3.777 20 5 HHBDMN COc1ccc(-c2n[nH]c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n2)cc1 ZINC000006141493 960857096 /nfs/dbraw/zinc/85/70/96/960857096.db2.gz VINXUWMTWPWYOO-UHFFFAOYSA-N 0 1 400.416 3.547 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000537652667 1013214189 /nfs/dbraw/zinc/21/41/89/1013214189.db2.gz SSTVXMOUGPQMQB-JTQLQIEISA-N 0 1 412.851 3.519 20 5 HHBDMN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542280957 1013241480 /nfs/dbraw/zinc/24/14/80/1013241480.db2.gz YTXDVAARJALHCK-HXUWFJFHSA-N 0 1 408.495 3.707 20 5 HHBDMN CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3F)n[nH]2)c([N+](=O)[O-])c1 ZINC000009837358 961690400 /nfs/dbraw/zinc/69/04/00/961690400.db2.gz MJRQBMSDKXCBTP-UHFFFAOYSA-N 0 1 417.422 3.649 20 5 HHBDMN COc1ccc(NC(=O)CSc2nc(C=Cc3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000012834627 962333462 /nfs/dbraw/zinc/33/34/62/962333462.db2.gz JOERDXUWRAIHPN-JXMROGBWSA-N 0 1 411.443 3.623 20 5 HHBDMN O=C(CSc1nc(C=Cc2ccccc2)n[nH]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000012837548 962335900 /nfs/dbraw/zinc/33/59/00/962335900.db2.gz YSBQSDXIWCYGKV-RMKNXTFCSA-N 0 1 407.455 3.565 20 5 HHBDMN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000017167518 963166857 /nfs/dbraw/zinc/16/68/57/963166857.db2.gz XNRZCBFIAAKMKW-GASCZTMLSA-N 0 1 417.487 3.514 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC1 ZINC000023985214 963915403 /nfs/dbraw/zinc/91/54/03/963915403.db2.gz XXPFERXEROKIET-GOSISDBHSA-N 0 1 403.866 3.824 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccs1 ZINC000050551421 964352062 /nfs/dbraw/zinc/35/20/62/964352062.db2.gz SLYFBWXJGWGGJH-OAHLLOKOSA-N 0 1 402.501 3.813 20 5 HHBDMN O=C(NC1CC1)c1ccc(NC2CCN(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000052467235 964914997 /nfs/dbraw/zinc/91/49/97/964914997.db2.gz ZFXUIYCNZIZCBH-UHFFFAOYSA-N 0 1 412.465 3.703 20 5 HHBDMN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cccc1[N+](=O)[O-] ZINC000028351259 965082988 /nfs/dbraw/zinc/08/29/88/965082988.db2.gz FJEUBTXOFSVPSI-HUUCEWRRSA-N 0 1 410.474 3.930 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000030001674 965590746 /nfs/dbraw/zinc/59/07/46/965590746.db2.gz GQJWLDAJKUFCDN-GASCZTMLSA-N 0 1 400.435 3.724 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000055870073 966111345 /nfs/dbraw/zinc/11/13/45/966111345.db2.gz ICUMMDNOAVHPCX-IRXDYDNUSA-N 0 1 412.490 3.563 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000055870060 966111367 /nfs/dbraw/zinc/11/13/67/966111367.db2.gz OATYAWNRAXAXSJ-IAGOWNOFSA-N 0 1 412.490 3.563 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000032098140 966193878 /nfs/dbraw/zinc/19/38/78/966193878.db2.gz PGGSIFWQFLALRQ-UHFFFAOYSA-N 0 1 411.439 3.956 20 5 HHBDMN CCOc1ccc(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)cc1[N+](=O)[O-] ZINC000032516470 966276603 /nfs/dbraw/zinc/27/66/03/966276603.db2.gz VRHXQWSMHBMGDE-HXUWFJFHSA-N 0 1 413.474 3.569 20 5 HHBDMN CCOc1ccc(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)cc1[N+](=O)[O-] ZINC000032516449 966277008 /nfs/dbraw/zinc/27/70/08/966277008.db2.gz IHMIFHAWZOBRHZ-IBGZPJMESA-N 0 1 413.474 3.569 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccnc(Sc3ccccn3)c2)c1 ZINC000542727859 1013640262 /nfs/dbraw/zinc/64/02/62/1013640262.db2.gz GZHIXHCFYGGTII-UHFFFAOYSA-N 0 1 416.484 3.954 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000056458997 966345043 /nfs/dbraw/zinc/34/50/43/966345043.db2.gz LNXDYMTVBJHXRP-HXUWFJFHSA-N 0 1 412.490 3.630 20 5 HHBDMN CC(C)c1ccc(CNCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000061108337 966372914 /nfs/dbraw/zinc/37/29/14/966372914.db2.gz LYIBXCQWGNBOGR-UHFFFAOYSA-N 0 1 417.531 3.793 20 5 HHBDMN CCOC(=O)c1cc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000061232794 966405111 /nfs/dbraw/zinc/40/51/11/966405111.db2.gz ZEGMUIAWVHGFKE-IBGZPJMESA-N 0 1 422.441 3.934 20 5 HHBDMN CN1CCN(C[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CC1 ZINC000542774228 1013676019 /nfs/dbraw/zinc/67/60/19/1013676019.db2.gz UXNRKRFACKFWAM-LJQANCHMSA-N 0 1 419.323 3.758 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000538118637 1013680196 /nfs/dbraw/zinc/68/01/96/1013680196.db2.gz MUOBOPREXBRCCR-RYUDHWBXSA-N 0 1 409.389 3.883 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000043149383 966918844 /nfs/dbraw/zinc/91/88/44/966918844.db2.gz IQRHZNIBHKFVTC-CALCHBBNSA-N 0 1 412.490 3.834 20 5 HHBDMN Cc1cc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000064509962 967218974 /nfs/dbraw/zinc/21/89/74/967218974.db2.gz LQUFBTFMZMIWAS-UHFFFAOYSA-N 0 1 411.439 3.956 20 5 HHBDMN Cc1[nH]c(SCC(=O)NCCc2ccc([N+](=O)[O-])cc2)nc1Cc1ccccc1 ZINC000065124001 967389262 /nfs/dbraw/zinc/38/92/62/967389262.db2.gz ZEUHMKFXQRLXBZ-UHFFFAOYSA-N 0 1 410.499 3.668 20 5 HHBDMN Cc1cc(C(=O)NC2CCCC2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000065223393 967410749 /nfs/dbraw/zinc/41/07/49/967410749.db2.gz BVFZRKQMNLIIKD-UHFFFAOYSA-N 0 1 417.487 3.685 20 5 HHBDMN Cc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cc1[N+](=O)[O-] ZINC000045941399 967601936 /nfs/dbraw/zinc/60/19/36/967601936.db2.gz PQQAJCSPBSJYAE-UHFFFAOYSA-N 0 1 410.474 3.970 20 5 HHBDMN C[C@H](NCC(=O)NCc1cccc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000538175358 1013734094 /nfs/dbraw/zinc/73/40/94/1013734094.db2.gz BXLKWIWUFPAMQX-ZDUSSCGKSA-N 0 1 411.380 3.503 20 5 HHBDMN C[C@H]1CN(Cc2ccc(CNc3nc4sccn4c3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000047511384 968217508 /nfs/dbraw/zinc/21/75/08/968217508.db2.gz KTAJDOQSVLZODD-KBPBESRZSA-N 0 1 401.492 3.525 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])c(C)c4)C3)[nH]c2c1 ZINC000538266316 1013807580 /nfs/dbraw/zinc/80/75/80/1013807580.db2.gz ZLDJCRKTQBWPPU-HNNXBMFYSA-N 0 1 414.487 3.656 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1Sc1nccn1C ZINC000072095889 968989168 /nfs/dbraw/zinc/98/91/68/968989168.db2.gz RZUDQPLXOYSAGV-UHFFFAOYSA-N 0 1 404.473 3.589 20 5 HHBDMN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000108639372 969403915 /nfs/dbraw/zinc/40/39/15/969403915.db2.gz UHBHVGCUQVNUNV-UHFFFAOYSA-N 0 1 404.430 3.566 20 5 HHBDMN COc1cccc([C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)N2CCCC2)c1 ZINC000109331649 969500204 /nfs/dbraw/zinc/50/02/04/969500204.db2.gz IWDHEKKWPSIEBA-QFIPXVFZSA-N 0 1 422.485 3.511 20 5 HHBDMN CCOc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000109484342 969523832 /nfs/dbraw/zinc/52/38/32/969523832.db2.gz FFKCTJNOGQAVBG-UHFFFAOYSA-N 0 1 401.488 3.795 20 5 HHBDMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000109715731 969553311 /nfs/dbraw/zinc/55/33/11/969553311.db2.gz INLHZCSUPYQXMJ-UHFFFAOYSA-N 0 1 423.816 3.592 20 5 HHBDMN CC(C)[C@@H](CO)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000112656923 969821953 /nfs/dbraw/zinc/82/19/53/969821953.db2.gz XGMYFYYXCWNTPZ-LJQANCHMSA-N 0 1 405.882 3.706 20 5 HHBDMN COc1cc2c(cc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000237299635 970258595 /nfs/dbraw/zinc/25/85/95/970258595.db2.gz PYOYGXMFPKQDKN-AWEZNQCLSA-N 0 1 408.458 3.617 20 5 HHBDMN COc1ccc(CN[C@H]2c3ccccc3C[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237322794 970262048 /nfs/dbraw/zinc/26/20/48/970262048.db2.gz KKJIZBITKBYRLW-QPPBQGQZSA-N 0 1 420.465 3.930 20 5 HHBDMN COc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237367095 970271054 /nfs/dbraw/zinc/27/10/54/970271054.db2.gz KKJIZBITKBYRLW-XUZZJYLKSA-N 0 1 420.465 3.930 20 5 HHBDMN C[C@@H](CS(C)(=O)=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000237486380 970297819 /nfs/dbraw/zinc/29/78/19/970297819.db2.gz KHVQEVGPBVDZHF-NSHDSACASA-N 0 1 416.858 3.702 20 5 HHBDMN C[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)NCc1ccco1 ZINC000237555968 970312286 /nfs/dbraw/zinc/31/22/86/970312286.db2.gz OZQHDPNDNSVKKB-AWEZNQCLSA-N 0 1 413.405 3.914 20 5 HHBDMN Cc1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000237805364 970370897 /nfs/dbraw/zinc/37/08/97/970370897.db2.gz ZTRXSAVCYKGOET-KRWDZBQOSA-N 0 1 405.401 3.790 20 5 HHBDMN CC(C)c1ccc(CN[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1[N+](=O)[O-] ZINC000554719943 1014030949 /nfs/dbraw/zinc/03/09/49/1014030949.db2.gz CWYDXKXIHMMOBH-MRXNPFEDSA-N 0 1 423.560 3.723 20 5 HHBDMN O=C(Nc1n[nH]c(-c2ccc(Br)cc2F)n1)c1ccc([N+](=O)[O-])s1 ZINC000409547468 973004035 /nfs/dbraw/zinc/00/40/35/973004035.db2.gz ZXSUBYQBWIBKDL-UHFFFAOYSA-N 0 1 412.200 3.595 20 5 HHBDMN O=C(NCc1ccccc1[N+](=O)[O-])N1CCN(Cc2cccc3ccccc32)CC1 ZINC000410148190 973634033 /nfs/dbraw/zinc/63/40/33/973634033.db2.gz PTIUOYZYRIXTPF-UHFFFAOYSA-N 0 1 404.470 3.775 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000426870374 974722583 /nfs/dbraw/zinc/72/25/83/974722583.db2.gz BWRXXGMXULTMMM-KRWDZBQOSA-N 0 1 403.504 3.868 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCc3c(Br)cc(C)cc3C2)c1[N+](=O)[O-] ZINC000428257119 975570298 /nfs/dbraw/zinc/57/02/98/975570298.db2.gz NHBWANGEFIIYFU-UHFFFAOYSA-N 0 1 407.268 3.540 20 5 HHBDMN COC(=O)[C@@]1(c2ccccc2)CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000428775077 976047191 /nfs/dbraw/zinc/04/71/91/976047191.db2.gz WYFYCQUMUCNNDZ-QRQCRPRQSA-N 0 1 422.441 3.523 20 5 HHBDMN CC1(C)Cc2ccc(Br)cc2[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429275503 976560837 /nfs/dbraw/zinc/56/08/37/976560837.db2.gz QWMIGSMRUSURGL-KRWDZBQOSA-N 0 1 418.291 3.869 20 5 HHBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431173521 978073151 /nfs/dbraw/zinc/07/31/51/978073151.db2.gz SDEMAVFLINTTRI-OAHLLOKOSA-N 0 1 424.320 3.986 20 5 HHBDMN C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000431920704 978602274 /nfs/dbraw/zinc/60/22/74/978602274.db2.gz FNQUBOIAFPBCHG-ZBFHGGJFSA-N 0 1 423.922 3.580 20 5 HHBDMN C[C@@H](N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000432333865 978764915 /nfs/dbraw/zinc/76/49/15/978764915.db2.gz IAFRKCNLKBPFBB-SJKOYZFVSA-N 0 1 404.264 3.813 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)ccc1[N+](=O)[O-] ZINC000432492645 978846453 /nfs/dbraw/zinc/84/64/53/978846453.db2.gz VLCMOFVOTCOYSP-UHFFFAOYSA-N 0 1 400.416 3.631 20 5 HHBDMN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000433083966 979064339 /nfs/dbraw/zinc/06/43/39/979064339.db2.gz PPMJBTYGGGMBOQ-UHFFFAOYSA-N 0 1 415.413 3.639 20 5 HHBDMN COc1ccc(CN2CC[C@@H](N[C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000433279282 979212531 /nfs/dbraw/zinc/21/25/31/979212531.db2.gz QDPAPSKGYRQYIN-NHCUHLMSSA-N 0 1 409.486 3.717 20 5 HHBDMN COC(=O)COc1ccc(CN2CCC(F)(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000435059336 980603918 /nfs/dbraw/zinc/60/39/18/980603918.db2.gz WATFMTJLFBRQSW-UHFFFAOYSA-N 0 1 402.422 3.607 20 5 HHBDMN COc1ccc(CN2CCCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)cc1 ZINC000436275787 981281065 /nfs/dbraw/zinc/28/10/65/981281065.db2.gz QNKLBOWATHLQPG-UHFFFAOYSA-N 0 1 410.396 3.730 20 5 HHBDMN CCC(=O)c1ccc(O)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000436653802 981493430 /nfs/dbraw/zinc/49/34/30/981493430.db2.gz VLMZNTOOZYWKDL-UHFFFAOYSA-N 0 1 407.220 3.837 20 5 HHBDMN C[N@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000436729997 981535319 /nfs/dbraw/zinc/53/53/19/981535319.db2.gz DCJLCKLZIWZGTM-YVEFUNNKSA-N 0 1 407.829 3.516 20 5 HHBDMN C[N@H+]1CC[C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436986484 981668309 /nfs/dbraw/zinc/66/83/09/981668309.db2.gz JTXIEAGUPIPSJC-FZKQIMNGSA-N 0 1 407.829 3.516 20 5 HHBDMN Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436994113 981674041 /nfs/dbraw/zinc/67/40/41/981674041.db2.gz AWOQPRUOTPIGSQ-GOSISDBHSA-N 0 1 421.457 3.505 20 5 HHBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NCc1ncn(Cc2cccc(F)c2)n1 ZINC000437103685 981762540 /nfs/dbraw/zinc/76/25/40/981762540.db2.gz ATCUXEGJZBTXQU-PXNSSMCTSA-N 0 1 409.465 3.875 20 5 HHBDMN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C ZINC000460235868 982013156 /nfs/dbraw/zinc/01/31/56/982013156.db2.gz SNRYEJWDHKTWHR-QGZVFWFLSA-N 0 1 406.490 3.584 20 5 HHBDMN CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000460311283 982090281 /nfs/dbraw/zinc/09/02/81/982090281.db2.gz BAXISIWRYUZSLN-UHFFFAOYSA-N 0 1 424.480 3.725 20 5 HHBDMN CN(CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)Cc1ccc(F)cc1 ZINC000437998459 982514975 /nfs/dbraw/zinc/51/49/75/982514975.db2.gz NDLXCNAQBOBRQD-UHFFFAOYSA-N 0 1 400.454 3.540 20 5 HHBDMN Cc1ncn(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c1C ZINC000461209376 982923535 /nfs/dbraw/zinc/92/35/35/982923535.db2.gz NABJRWQIZAHIHO-UHFFFAOYSA-N 0 1 406.851 3.852 20 5 HHBDMN CCOCc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000438730275 983029564 /nfs/dbraw/zinc/02/95/64/983029564.db2.gz XZXRQBRKRPUXKZ-UHFFFAOYSA-N 0 1 415.265 3.695 20 5 HHBDMN Cc1ccc([C@@H](C)NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000438864893 983129710 /nfs/dbraw/zinc/12/97/10/983129710.db2.gz LEBKQQYYWGHZEF-SJORKVTESA-N 0 1 411.506 3.884 20 5 HHBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000439003599 983205164 /nfs/dbraw/zinc/20/51/64/983205164.db2.gz CCTLIKURSKINIC-UHFFFAOYSA-N 0 1 402.370 3.820 20 5 HHBDMN Cc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccc1NC(=O)CC(C)C ZINC000439185843 983297914 /nfs/dbraw/zinc/29/79/14/983297914.db2.gz JUIBCVDOJSTKHM-UHFFFAOYSA-N 0 1 422.445 3.925 20 5 HHBDMN COc1cc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000439448300 983414309 /nfs/dbraw/zinc/41/43/09/983414309.db2.gz GJHHZVCFLCWRKM-MRXNPFEDSA-N 0 1 407.352 3.620 20 5 HHBDMN COc1cc(CN2CCC([C@H]3CCCO3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000439773959 983533424 /nfs/dbraw/zinc/53/34/24/983533424.db2.gz JRWHBODJXUMHRL-MRXNPFEDSA-N 0 1 418.412 3.936 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000440135732 983655656 /nfs/dbraw/zinc/65/56/56/983655656.db2.gz VGMWPUQATSYASU-NSHDSACASA-N 0 1 413.261 3.871 20 5 HHBDMN COc1ccc(OCCN2CCC[C@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000441162573 984096900 /nfs/dbraw/zinc/09/69/00/984096900.db2.gz CGEQWVRJSCUOJL-KRWDZBQOSA-N 0 1 400.431 3.591 20 5 HHBDMN Cc1ccc2oc(CN(Cc3ccco3)C[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc2c1 ZINC000441436907 984251526 /nfs/dbraw/zinc/25/15/26/984251526.db2.gz PLWLPJOJWLEULF-SFHVURJKSA-N 0 1 410.430 3.502 20 5 HHBDMN COc1ccc(OCCN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000441530531 984306507 /nfs/dbraw/zinc/30/65/07/984306507.db2.gz RDBGEVXGHJDPCG-IBGZPJMESA-N 0 1 404.438 3.803 20 5 HHBDMN COc1ccc(CCCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462193597 985176105 /nfs/dbraw/zinc/17/61/05/985176105.db2.gz YUXOUNHZLNGLPX-UHFFFAOYSA-N 0 1 419.286 3.821 20 5 HHBDMN COCc1nc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c(-c2ccccc2)s1 ZINC000442857668 985247700 /nfs/dbraw/zinc/24/77/00/985247700.db2.gz UBUIFICNSHTZAM-UHFFFAOYSA-N 0 1 423.454 3.671 20 5 HHBDMN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000462321534 985311318 /nfs/dbraw/zinc/31/13/18/985311318.db2.gz NLKOJMILYMDKLR-CHWSQXEVSA-N 0 1 409.291 3.528 20 5 HHBDMN Cc1csc(C(C)(C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000462349664 985338923 /nfs/dbraw/zinc/33/89/23/985338923.db2.gz VWPJWDGUUNHQBD-UHFFFAOYSA-N 0 1 410.304 3.880 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000462382165 985365524 /nfs/dbraw/zinc/36/55/24/985365524.db2.gz WVJGZRSSLTWVNP-AWEZNQCLSA-N 0 1 419.503 3.764 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000462382165 985365534 /nfs/dbraw/zinc/36/55/34/985365534.db2.gz WVJGZRSSLTWVNP-AWEZNQCLSA-N 0 1 419.503 3.764 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCOc1ccccc1 ZINC000462441854 985407819 /nfs/dbraw/zinc/40/78/19/985407819.db2.gz QTELBWPKGSKPCH-UHFFFAOYSA-N 0 1 405.259 3.649 20 5 HHBDMN Cc1cccc(OCCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000462474246 985431370 /nfs/dbraw/zinc/43/13/70/985431370.db2.gz LYOLLOVZGKBWQN-UHFFFAOYSA-N 0 1 405.259 3.567 20 5 HHBDMN Cc1c([C@H](C)N[C@@H]2CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000443205662 985441944 /nfs/dbraw/zinc/44/19/44/985441944.db2.gz DOZFCDFISSETQZ-WDYCEAGBSA-N 0 1 419.522 3.521 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000462496928 985449973 /nfs/dbraw/zinc/44/99/73/985449973.db2.gz XCSCLBRXXKIMFM-SMDDNHRTSA-N 0 1 401.271 3.811 20 5 HHBDMN C[C@@H](COCc1ccccc1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462600164 985545114 /nfs/dbraw/zinc/54/51/14/985545114.db2.gz UNKNDBFCTSZAGL-NSHDSACASA-N 0 1 419.286 3.785 20 5 HHBDMN CC1CCN([C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000443691548 985904546 /nfs/dbraw/zinc/90/45/46/985904546.db2.gz HPZSUJRIRRYWJH-SFHVURJKSA-N 0 1 423.560 3.549 20 5 HHBDMN CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443711006 985922324 /nfs/dbraw/zinc/92/23/24/985922324.db2.gz QMUUJTATLJUYSC-LAUBAEHRSA-N 0 1 417.531 3.582 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000443946853 986154264 /nfs/dbraw/zinc/15/42/64/986154264.db2.gz MMNTUHFKGCVVCT-UHFFFAOYSA-N 0 1 411.506 3.545 20 5 HHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1Br ZINC000463429478 986400335 /nfs/dbraw/zinc/40/03/35/986400335.db2.gz JTDCSCCEAJECCP-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC(c2cnc[nH]2)CC1 ZINC000444250337 986445523 /nfs/dbraw/zinc/44/55/23/986445523.db2.gz UMMAHDUPTPVSES-UHFFFAOYSA-N 0 1 408.408 3.702 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc(Oc3cccnc3)c(C)c2)ccc1[N+](=O)[O-] ZINC000468777011 986489379 /nfs/dbraw/zinc/48/93/79/986489379.db2.gz BFTDKUZLWDQRFD-UHFFFAOYSA-N 0 1 415.427 3.900 20 5 HHBDMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444320047 986501294 /nfs/dbraw/zinc/50/12/94/986501294.db2.gz STGJHBAHRBUKIQ-XDHUDOTRSA-N 0 1 411.505 3.932 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cc(Cl)c(OC)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000468969364 986673528 /nfs/dbraw/zinc/67/35/28/986673528.db2.gz MQSORUMJFVMXCV-UHFFFAOYSA-N 0 1 407.231 3.720 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCC1 ZINC000470149873 988058723 /nfs/dbraw/zinc/05/87/23/988058723.db2.gz DTCCBOQGJNDRCT-GOSISDBHSA-N 0 1 402.426 3.701 20 5 HHBDMN CN(C)[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000470164777 988077030 /nfs/dbraw/zinc/07/70/30/988077030.db2.gz YGZCUBOKLLMMDU-SFHVURJKSA-N 0 1 424.423 3.758 20 5 HHBDMN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c(Cl)cc1Cl ZINC000464415881 988586292 /nfs/dbraw/zinc/58/62/92/988586292.db2.gz CCYTXKXRIKROST-UHFFFAOYSA-N 0 1 413.242 3.954 20 5 HHBDMN COC(=O)C(C)(C)CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000464981819 989285347 /nfs/dbraw/zinc/28/53/47/989285347.db2.gz OZCXLRMOINFRQE-QGZVFWFLSA-N 0 1 419.865 3.717 20 5 HHBDMN CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000465040711 989365256 /nfs/dbraw/zinc/36/52/56/989365256.db2.gz XGCJPGOTLWSLHU-KUHUBIRLSA-N 0 1 417.487 3.704 20 5 HHBDMN Cc1ccc2nc(CNC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000465190194 989527830 /nfs/dbraw/zinc/52/78/30/989527830.db2.gz ZDMNGPQHGPXOIM-UHFFFAOYSA-N 0 1 407.474 3.946 20 5 HHBDMN C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C(C)(C)C1 ZINC000471716433 989914168 /nfs/dbraw/zinc/91/41/68/989914168.db2.gz NGHJMZQXBREARY-AWEZNQCLSA-N 0 1 417.487 3.656 20 5 HHBDMN CCc1ccc(-c2noc([C@H](C)NS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])n2)cc1 ZINC000471868762 990040580 /nfs/dbraw/zinc/04/05/80/990040580.db2.gz HYPWXJYCTWICNX-ZDUSSCGKSA-N 0 1 416.459 3.555 20 5 HHBDMN COc1ccc(CN[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000466446618 991736074 /nfs/dbraw/zinc/73/60/74/991736074.db2.gz RZWVYXNDABNRDU-OAHLLOKOSA-N 0 1 423.391 3.513 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000466474420 991766184 /nfs/dbraw/zinc/76/61/84/991766184.db2.gz OSTLXPFVHOSKJA-INIZCTEOSA-N 0 1 407.392 3.813 20 5 HHBDMN COCC[C@@H]1CCCCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000467278698 992600187 /nfs/dbraw/zinc/60/01/87/992600187.db2.gz OJJHVFIAXHFTBA-HNNXBMFYSA-N 0 1 418.519 3.795 20 5 HHBDMN CN(Cc1nnc[nH]1)C(=O)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000467791851 993026871 /nfs/dbraw/zinc/02/68/71/993026871.db2.gz XIAOMIZGWCYIEE-UHFFFAOYSA-N 0 1 403.851 3.790 20 5 HHBDMN C[C@@H](NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467840950 993072746 /nfs/dbraw/zinc/07/27/46/993072746.db2.gz SSFOYALDHOSFAO-IAGOWNOFSA-N 0 1 417.531 3.866 20 5 HHBDMN CC1CCN([C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000472585489 993548743 /nfs/dbraw/zinc/54/87/43/993548743.db2.gz KEKIRMHRDQIMLH-SFHVURJKSA-N 0 1 423.560 3.549 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1C ZINC000480989356 993830739 /nfs/dbraw/zinc/83/07/39/993830739.db2.gz YGYRARMIBPAYMM-MAUKXSAKSA-N 0 1 423.560 3.635 20 5 HHBDMN CCOc1ccc(NC(=O)CN[C@H](C)[C@H](OC)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000481526167 994358150 /nfs/dbraw/zinc/35/81/50/994358150.db2.gz FJFLIYAYVYBCDC-XCLFUZPHSA-N 0 1 421.881 3.951 20 5 HHBDMN NC(=O)c1ccc(CN[C@H](c2cc(F)cc(Br)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000481737356 994594227 /nfs/dbraw/zinc/59/42/27/994594227.db2.gz DCXRPROSFZBDKV-KRWDZBQOSA-N 0 1 422.254 3.836 20 5 HHBDMN COc1cccc(-c2cc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n[nH]2)c1 ZINC000481848748 994704015 /nfs/dbraw/zinc/70/40/15/994704015.db2.gz YTRZABDYBVDLOO-UHFFFAOYSA-N 0 1 422.441 3.677 20 5 HHBDMN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1 ZINC000481946004 994825020 /nfs/dbraw/zinc/82/50/20/994825020.db2.gz KQIYEPLVQNFVPJ-AWEZNQCLSA-N 0 1 405.476 3.541 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000481957894 994843000 /nfs/dbraw/zinc/84/30/00/994843000.db2.gz QZFKHWLIOVMUQG-SFHVURJKSA-N 0 1 406.460 3.570 20 5 HHBDMN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(C)c1 ZINC000481985431 994883654 /nfs/dbraw/zinc/88/36/54/994883654.db2.gz XJNLWSFEQGHVCP-HNNXBMFYSA-N 0 1 419.503 3.849 20 5 HHBDMN COc1cccc([C@@H]2[C@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CCN2C2CC2)c1 ZINC000482049127 994972130 /nfs/dbraw/zinc/97/21/30/994972130.db2.gz MZWGKOBGCXDTHS-FGZHOGPDSA-N 0 1 423.513 3.975 20 5 HHBDMN O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000482058288 994987877 /nfs/dbraw/zinc/98/78/77/994987877.db2.gz ATSHWLFNHJTMHO-UHFFFAOYSA-N 0 1 415.412 3.626 20 5 HHBDMN COC(=O)COc1ccc(CN[C@H]2CCCOc3c(Cl)cccc32)cc1[N+](=O)[O-] ZINC000474006763 994997780 /nfs/dbraw/zinc/99/77/80/994997780.db2.gz DVRHUKIPQLMNTR-INIZCTEOSA-N 0 1 420.849 3.804 20 5 HHBDMN CC(C)(C)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccc(F)cc1 ZINC000474154396 995137963 /nfs/dbraw/zinc/13/79/63/995137963.db2.gz NMQKDEXNAFOQQT-UHFFFAOYSA-N 0 1 403.410 3.702 20 5 HHBDMN CCOc1cc(N2CCN(Cc3ccc(-n4ccnc4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000475513862 996193912 /nfs/dbraw/zinc/19/39/12/996193912.db2.gz VEVSUJNBMPNATJ-UHFFFAOYSA-N 0 1 407.474 3.501 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000475616887 996250770 /nfs/dbraw/zinc/25/07/70/996250770.db2.gz PLJQVTCRECDITI-UHFFFAOYSA-N 0 1 404.511 3.568 20 5 HHBDMN Cc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cccc1-c1nnc2n1CCCCC2 ZINC000476006016 996535329 /nfs/dbraw/zinc/53/53/29/996535329.db2.gz HEPDCSUYHAWEDR-UHFFFAOYSA-N 0 1 407.430 3.846 20 5 HHBDMN C[C@H](Nc1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-])c1ccccn1 ZINC000484776835 997124115 /nfs/dbraw/zinc/12/41/15/997124115.db2.gz QPPMLCXZFOBDKC-UGSOOPFHSA-N 0 1 406.446 3.693 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000485048204 997413929 /nfs/dbraw/zinc/41/39/29/997413929.db2.gz IBTHCASVSRDFBA-UHFFFAOYSA-N 0 1 402.457 3.645 20 5 HHBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000477040110 997673962 /nfs/dbraw/zinc/67/39/62/997673962.db2.gz PWWOCKKUWPURAX-UHFFFAOYSA-N 0 1 403.479 3.772 20 5 HHBDMN O=C(NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000477117216 997771718 /nfs/dbraw/zinc/77/17/18/997771718.db2.gz ZMQGBSUZOLHPAY-MRXNPFEDSA-N 0 1 416.434 3.514 20 5 HHBDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477269585 997946329 /nfs/dbraw/zinc/94/63/29/997946329.db2.gz RWUHXQWCZHMGNG-CQSZACIVSA-N 0 1 400.483 3.564 20 5 HHBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477303081 997989761 /nfs/dbraw/zinc/98/97/61/997989761.db2.gz VHOVFVJLQGVIAF-KBPBESRZSA-N 0 1 400.483 3.564 20 5 HHBDMN CC(C)c1nc([C@@H](C)NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000477305431 997993401 /nfs/dbraw/zinc/99/34/01/997993401.db2.gz ZZYHHWBUMCMGLW-SNVBAGLBSA-N 0 1 414.388 3.535 20 5 HHBDMN C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1Cc1ccccc1 ZINC000485795631 998264889 /nfs/dbraw/zinc/26/48/89/998264889.db2.gz UANAPYAYUHBZHB-HNNXBMFYSA-N 0 1 419.428 3.933 20 5 HHBDMN COC(=O)c1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c(F)c1 ZINC000485902048 998354147 /nfs/dbraw/zinc/35/41/47/998354147.db2.gz UKANSYUDVLXANA-UHFFFAOYSA-N 0 1 403.185 3.597 20 5 HHBDMN COc1cccc([C@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])N2CCCC2)c1 ZINC000486650168 998875732 /nfs/dbraw/zinc/87/57/32/998875732.db2.gz JYOHNISFMGLECZ-SFHVURJKSA-N 0 1 415.515 3.892 20 5 HHBDMN Cc1csc(Sc2ccc(C(=O)N[C@@H](C)Cc3cc(C)[nH]n3)cc2[N+](=O)[O-])n1 ZINC000488964996 999659288 /nfs/dbraw/zinc/65/92/88/999659288.db2.gz CARDDHHTIBTQHD-JTQLQIEISA-N 0 1 417.516 3.903 20 5 HHBDMN C[C@@H](NC(=O)[C@@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc2ccccc2c1 ZINC000489002651 999669148 /nfs/dbraw/zinc/66/91/48/999669148.db2.gz AKFDABZGWYRKIH-IAGOWNOFSA-N 0 1 421.501 3.847 20 5 HHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)n[nH]1 ZINC000489235940 999727933 /nfs/dbraw/zinc/72/79/33/999727933.db2.gz UYJSIRWFYHDZIB-RYUDHWBXSA-N 0 1 407.449 3.943 20 5 HHBDMN CC(C)[C@@H]1CN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCN1C ZINC000489348001 999750032 /nfs/dbraw/zinc/75/00/32/999750032.db2.gz CBPJRKRMRBCJLN-KKSFZXQISA-N 0 1 411.506 3.575 20 5 HHBDMN Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)n[nH]2)c(C)c1 ZINC000489389989 999756791 /nfs/dbraw/zinc/75/67/91/999756791.db2.gz KPKMRQHFMXOZCW-UHFFFAOYSA-N 0 1 405.458 3.564 20 5 HHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000489502183 999779406 /nfs/dbraw/zinc/77/94/06/999779406.db2.gz WDIJLMSDWUXVEB-QWRGUYRKSA-N 0 1 400.464 3.841 20 5 HHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000489502184 999779410 /nfs/dbraw/zinc/77/94/10/999779410.db2.gz WDIJLMSDWUXVEB-WDEREUQCSA-N 0 1 400.464 3.841 20 5 HHBDMN COc1cc(CN2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)ccc1[N+](=O)[O-] ZINC000489962227 999869875 /nfs/dbraw/zinc/86/98/75/999869875.db2.gz BJGISBVTEKSCNX-GOSISDBHSA-N 0 1 412.490 3.946 20 5 HHBDMN CCNc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000490144763 999899710 /nfs/dbraw/zinc/89/97/10/999899710.db2.gz QGGGYPZYYKAFTL-UHFFFAOYSA-N 0 1 400.504 3.828 20 5 HHBDMN COc1ccc(CNC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000490292882 999930139 /nfs/dbraw/zinc/93/01/39/999930139.db2.gz XOIHWWYYOQYUPI-KRWDZBQOSA-N 0 1 409.446 3.835 20 5 HHBDMN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490372662 999946777 /nfs/dbraw/zinc/94/67/77/999946777.db2.gz WHMNQFBFNVKBNN-LBPRGKRZSA-N 0 1 420.433 3.656 20 5 HHBDMN O=C(Cc1csc(-c2cccs2)n1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490374699 999947258 /nfs/dbraw/zinc/94/72/58/999947258.db2.gz YZCGMLBEFNVREO-UHFFFAOYSA-N 0 1 412.456 3.746 20 5 HHBDMN CCOc1ccc([C@H](C)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1[N+](=O)[O-] ZINC000504894046 1000433135 /nfs/dbraw/zinc/43/31/35/1000433135.db2.gz JPHFFFWGROGVAA-ZACQAIPSSA-N 0 1 414.506 3.853 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000504912510 1000444556 /nfs/dbraw/zinc/44/45/56/1000444556.db2.gz WZODEECPNBAPJM-GJZGRUSLSA-N 0 1 421.519 3.656 20 5 HHBDMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000494476199 1000512921 /nfs/dbraw/zinc/51/29/21/1000512921.db2.gz VBMRBLPNKCRIQY-UHFFFAOYSA-N 0 1 417.531 3.891 20 5 HHBDMN O=C(CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494498487 1000525364 /nfs/dbraw/zinc/52/53/64/1000525364.db2.gz WIJWJYKEZLACLG-YJBOKZPZSA-N 0 1 410.257 3.960 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494512230 1000533027 /nfs/dbraw/zinc/53/30/27/1000533027.db2.gz YFWZEQAAXMDDGO-QFBILLFUSA-N 0 1 407.829 3.754 20 5 HHBDMN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccn(-c4ccncc4)n3)cc2[N+](=O)[O-])C1 ZINC000505124179 1000562643 /nfs/dbraw/zinc/56/26/43/1000562643.db2.gz LMZFRERUOJHLML-OAHLLOKOSA-N 0 1 406.446 3.664 20 5 HHBDMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000505731194 1000997190 /nfs/dbraw/zinc/99/71/90/1000997190.db2.gz JARJDTOSBHLAGG-UHFFFAOYSA-N 0 1 402.476 3.723 20 5 HHBDMN Cc1cc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)cc([N+](=O)[O-])c1 ZINC000505748870 1001005377 /nfs/dbraw/zinc/00/53/77/1001005377.db2.gz CPTUMMVEEZXKKQ-UHFFFAOYSA-N 0 1 410.474 3.970 20 5 HHBDMN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505753004 1001007358 /nfs/dbraw/zinc/00/73/58/1001007358.db2.gz MNKZGUSJPCEROY-UHFFFAOYSA-N 0 1 410.411 3.561 20 5 HHBDMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000506011150 1001161075 /nfs/dbraw/zinc/16/10/75/1001161075.db2.gz YTRRFYYWZLJFOF-AWEZNQCLSA-N 0 1 415.471 3.695 20 5 HHBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000497357430 1001307498 /nfs/dbraw/zinc/30/74/98/1001307498.db2.gz HULXCBXGSMWDEN-INIZCTEOSA-N 0 1 405.401 3.543 20 5 HHBDMN Cc1csc(C2(NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CCCC2)n1 ZINC000497361185 1001309966 /nfs/dbraw/zinc/30/99/66/1001309966.db2.gz CFUPKRMEMHMIAV-UHFFFAOYSA-N 0 1 401.897 3.761 20 5 HHBDMN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506489035 1001436616 /nfs/dbraw/zinc/43/66/16/1001436616.db2.gz UBRZRXZXVPPKAT-UHFFFAOYSA-N 0 1 418.471 3.800 20 5 HHBDMN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000506705271 1001499109 /nfs/dbraw/zinc/49/91/09/1001499109.db2.gz BJQXQPUSZMQVHN-HWKANZROSA-N 0 1 409.442 3.687 20 5 HHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1nc2ccccc2n1C(F)F ZINC000497816154 1001523304 /nfs/dbraw/zinc/52/33/04/1001523304.db2.gz YBRMXWJXIGQWBN-VIFPVBQESA-N 0 1 400.345 3.707 20 5 HHBDMN CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000497981853 1001589546 /nfs/dbraw/zinc/58/95/46/1001589546.db2.gz FGRZVEINWOKWFZ-MAUKXSAKSA-N 0 1 421.494 3.580 20 5 HHBDMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000507026453 1001770616 /nfs/dbraw/zinc/77/06/16/1001770616.db2.gz FVZHAEICXIBFOJ-UHFFFAOYSA-N 0 1 408.286 3.954 20 5 HHBDMN 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CC[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN1Cc1ccccc1 ZINC000545397514 1010772363 /nfs/dbraw/zinc/77/23/63/1010772363.db2.gz OZSCMOSLFRWUJS-IBGZPJMESA-N 0 1 407.474 3.741 20 5 HHBDMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000522205664 1010864998 /nfs/dbraw/zinc/86/49/98/1010864998.db2.gz UCBQHENSCGSAHN-MRXNPFEDSA-N 0 1 414.481 3.675 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccc(Sc3nncs3)cc2)ccc1[N+](=O)[O-] ZINC000522359343 1010955765 /nfs/dbraw/zinc/95/57/65/1010955765.db2.gz YMRTUZKDJUGTSR-UHFFFAOYSA-N 0 1 408.486 3.707 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000522362030 1010957439 /nfs/dbraw/zinc/95/74/39/1010957439.db2.gz VZUFPRLPDRNXKQ-HNNXBMFYSA-N 0 1 415.471 3.999 20 5 HHBDMN Cc1ccc(C[C@H](N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccn2)cc1 ZINC000522380051 1010969075 /nfs/dbraw/zinc/96/90/75/1010969075.db2.gz XJPNSPRWWWRUCU-PKTZIBPZSA-N 0 1 416.481 3.977 20 5 HHBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000522888159 1011334531 /nfs/dbraw/zinc/33/45/31/1011334531.db2.gz YBTCKCGQCSCSDI-UHFFFAOYSA-N 0 1 415.515 3.860 20 5 HHBDMN Cc1[nH]nc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1[N+](=O)[O-] ZINC000522924880 1011369306 /nfs/dbraw/zinc/36/93/06/1011369306.db2.gz GCXPHXBVDBIWNM-UHFFFAOYSA-N 0 1 405.867 3.909 20 5 HHBDMN O=C1[C@@H](NCc2ccc([N+](=O)[O-])cc2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000540768249 1011424494 /nfs/dbraw/zinc/42/44/94/1011424494.db2.gz IZHHVMDDYLULEM-SFHVURJKSA-N 0 1 407.392 3.894 20 5 HHBDMN CN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H]1c1ccccc1 ZINC000536262382 1011428688 /nfs/dbraw/zinc/42/86/88/1011428688.db2.gz HEQSAMSQQKWCJC-IRXDYDNUSA-N 0 1 404.264 3.533 20 5 HHBDMN CNc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1[N+](=O)[O-] ZINC000540844770 1011508515 /nfs/dbraw/zinc/50/85/15/1011508515.db2.gz FMDFONYWQKQAMM-MRXNPFEDSA-N 0 1 412.494 3.822 20 5 HHBDMN CSc1n[nH]c(NC(=O)c2ccc(Sc3nc(C)cs3)c([N+](=O)[O-])c2)n1 ZINC000523312485 1011788669 /nfs/dbraw/zinc/78/86/69/1011788669.db2.gz IIRVUXAGGRIFHG-UHFFFAOYSA-N 0 1 408.490 3.603 20 5 HHBDMN CC(C)N1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1=O ZINC000523390961 1011869551 /nfs/dbraw/zinc/86/95/51/1011869551.db2.gz NYLFSCFKZMZZMD-GFCCVEGCSA-N 0 1 422.279 3.716 20 5 HHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)C2CCC(NC(C)=O)CC2)cc1OC ZINC000541316150 1012024313 /nfs/dbraw/zinc/02/43/13/1012024313.db2.gz WAARZNLICKHCFL-MNNVXMFVSA-N 0 1 421.538 3.907 20 5 HHBDMN Cn1ccnc1[C@H](NCCc1cn(C)c2cc(F)ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000552067143 1012083900 /nfs/dbraw/zinc/08/39/00/1012083900.db2.gz ACTSLAAPTIYNQY-OAQYLSRUSA-N 0 1 407.449 3.881 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000523730849 1012348494 /nfs/dbraw/zinc/34/84/94/1012348494.db2.gz NDUZILXELKHFNQ-UHFFFAOYSA-N 0 1 417.487 3.767 20 5 HHBDMN Cc1c(Br)c(NCC2(N3CCCCC3)CCOCC2)ncc1[N+](=O)[O-] ZINC000541577000 1012366728 /nfs/dbraw/zinc/36/67/28/1012366728.db2.gz ZIQIVBCMBHEZHR-UHFFFAOYSA-N 0 1 413.316 3.508 20 5 HHBDMN COc1cc([C@@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])ccc1OC(C)C ZINC000537052823 1012380283 /nfs/dbraw/zinc/38/02/83/1012380283.db2.gz UCCFYWDQSTYIFF-OAHLLOKOSA-N 0 1 401.463 3.988 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4C)C3)[nH]c2c1 ZINC000537163468 1012565085 /nfs/dbraw/zinc/56/50/85/1012565085.db2.gz ZNMAYBUNXUWQHH-HNNXBMFYSA-N 0 1 414.487 3.656 20 5 HHBDMN Cc1cc(Cl)c2c(c1)[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCCO2 ZINC000541740390 1012595773 /nfs/dbraw/zinc/59/57/73/1012595773.db2.gz LYUQKFLTRAOHMF-GOSISDBHSA-N 0 1 424.906 3.834 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCN3CCOC[C@@H]3C2)cc1 ZINC000541763843 1012627445 /nfs/dbraw/zinc/62/74/45/1012627445.db2.gz XTYNSSJUAFBFIJ-KRWDZBQOSA-N 0 1 403.866 3.557 20 5 HHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000537246345 1012690130 /nfs/dbraw/zinc/69/01/30/1012690130.db2.gz WSRGZCHRHYYOHB-UHFFFAOYSA-N 0 1 401.488 3.795 20 5 HHBDMN CN(CCCN(C)C(=O)c1sc(Br)cc1[N+](=O)[O-])Cc1ccco1 ZINC000552739516 1012746078 /nfs/dbraw/zinc/74/60/78/1012746078.db2.gz PZDGFGRITRGHGH-UHFFFAOYSA-N 0 1 416.297 3.606 20 5 HHBDMN Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000524122157 1012899392 /nfs/dbraw/zinc/89/93/92/1012899392.db2.gz FWUJHBHLCGUBNL-IEBWSBKVSA-N 0 1 417.531 3.577 20 5 HHBDMN CCc1ccc([C@@H](CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])N(CC)CC)cc1 ZINC001212021829 1071902562 /nfs/dbraw/zinc/90/25/62/1071902562.db2.gz VQYOIMPKHVLOTQ-HXUWFJFHSA-N 0 1 419.547 3.827 20 5 HHBDMN CCCn1ccc2ccc(NS(=O)(=O)c3cc(F)c(OC)c([N+](=O)[O-])c3)cc21 ZINC000488219985 1072135720 /nfs/dbraw/zinc/13/57/20/1072135720.db2.gz JNRQLVGBXDJXKD-UHFFFAOYSA-N 0 1 407.423 3.908 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1[N+](=O)[O-] ZINC000488238323 1072153928 /nfs/dbraw/zinc/15/39/28/1072153928.db2.gz ZLDSZDJESULLQH-UHFFFAOYSA-N 0 1 407.379 3.562 20 5 HHBDMN CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000897570486 1072225341 /nfs/dbraw/zinc/22/53/41/1072225341.db2.gz TVPQCIUCWAPLIE-UHFFFAOYSA-N 0 1 421.381 3.650 20 5 HHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000570376613 1072233318 /nfs/dbraw/zinc/23/33/18/1072233318.db2.gz DDMZWFVOJVDVFZ-IBGZPJMESA-N 0 1 422.485 3.756 20 5 HHBDMN CSc1cccc(-c2nc(-c3ccccc3N3CCN(C)CC3)no2)c1[N+](=O)[O-] ZINC000571684551 1072696812 /nfs/dbraw/zinc/69/68/12/1072696812.db2.gz MDIURDPONKKDCG-UHFFFAOYSA-N 0 1 411.487 3.786 20 5 HHBDMN O=C(NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000588831739 1073317071 /nfs/dbraw/zinc/31/70/71/1073317071.db2.gz AQQUNOQEMTXJTP-UHFFFAOYSA-N 0 1 406.229 3.659 20 5 HHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000555301813 1073320220 /nfs/dbraw/zinc/32/02/20/1073320220.db2.gz SHMOXRJHKYLFKT-UHFFFAOYSA-N 0 1 416.787 3.690 20 5 HHBDMN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000899889284 1073940648 /nfs/dbraw/zinc/94/06/48/1073940648.db2.gz ZHGMBALKFVBJJK-HXUWFJFHSA-N 0 1 422.529 3.835 20 5 HHBDMN CN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)[C@H]1c1ccccc1 ZINC000760852632 1074451728 /nfs/dbraw/zinc/45/17/28/1074451728.db2.gz JRZXDEBWEBQVSQ-WMLDXEAASA-N 0 1 404.264 3.533 20 5 HHBDMN O=C(CCNc1ccccc1[N+](=O)[O-])OCc1nc2ccc(Br)cc2[nH]1 ZINC000780531218 1075305719 /nfs/dbraw/zinc/30/57/19/1075305719.db2.gz URXNJFQHAQOIEK-UHFFFAOYSA-N 0 1 419.235 3.779 20 5 HHBDMN Cc1nc(CN2CCCC23CCN(c2nc(C)nc(Cl)c2[N+](=O)[O-])CC3)cs1 ZINC001164691879 719805499 /nfs/dbraw/zinc/80/54/99/719805499.db2.gz LMSYZTQARCIWJC-UHFFFAOYSA-N 0 1 422.942 3.747 20 5 HHBDMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc([N+](=O)[O-])c(C)c2C)CC1 ZINC001165021245 721841621 /nfs/dbraw/zinc/84/16/21/721841621.db2.gz JFILJEXSVWCCOE-UHFFFAOYSA-N 0 1 414.506 3.725 20 5 HHBDMN Cc1cc(N2CCN(CCOc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000603937386 721959940 /nfs/dbraw/zinc/95/99/40/721959940.db2.gz QQJSPOHRQXUWOX-UHFFFAOYSA-N 0 1 419.485 3.561 20 5 HHBDMN COc1cc(C)nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164994567 722198256 /nfs/dbraw/zinc/19/82/56/722198256.db2.gz NYIGLRDPOXQUMX-OAQYLSRUSA-N 0 1 400.454 3.691 20 5 HHBDMN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC[C@H](CN2CCOCC2)C1 ZINC000301227656 970819889 /nfs/dbraw/zinc/81/98/89/970819889.db2.gz HNTDXUIIBGAEHS-GFCCVEGCSA-N 0 1 407.820 3.816 20 5 HHBDMN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000301354315 970883811 /nfs/dbraw/zinc/88/38/11/970883811.db2.gz JXGMOTLCFKHXEL-UHFFFAOYSA-N 0 1 414.437 3.767 20 5 HHBDMN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000537540147 1013054829 /nfs/dbraw/zinc/05/48/29/1013054829.db2.gz LPAVNKBMXBNKBK-MRXNPFEDSA-N 0 1 413.478 3.546 20 5 HHBDMN COC(=O)c1cnc(Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c([N+](=O)[O-])c1 ZINC000302660494 971273132 /nfs/dbraw/zinc/27/31/32/971273132.db2.gz AZCGHQDSMMPWIJ-UHFFFAOYSA-N 0 1 407.308 3.725 20 5 HHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H](c4nc(-c5ccccc5)n[nH]4)C3)nc2c1 ZINC000537562560 1013097191 /nfs/dbraw/zinc/09/71/91/1013097191.db2.gz RIYWBVGYOKBPOU-OAHLLOKOSA-N 0 1 404.430 3.901 20 5 HHBDMN O=C(CN(CCCO)[C@@H]1CCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000303575159 971866826 /nfs/dbraw/zinc/86/68/26/971866826.db2.gz PRBPFYSQWXCURW-LJQANCHMSA-N 0 1 403.866 3.559 20 5 HHBDMN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(CN2CCSCC2)cc1 ZINC000537592819 1013134001 /nfs/dbraw/zinc/13/40/01/1013134001.db2.gz SIPITMWQSPILQG-UHFFFAOYSA-N 0 1 419.934 3.770 20 5 HHBDMN CCc1nsc(N2CCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)n1 ZINC000537622255 1013169309 /nfs/dbraw/zinc/16/93/09/1013169309.db2.gz SBMNGOXZOMSODH-UHFFFAOYSA-N 0 1 413.503 3.981 20 5 HHBDMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000005200835 960671130 /nfs/dbraw/zinc/67/11/30/960671130.db2.gz WENPWGQLZBUZHY-UHFFFAOYSA-N 0 1 409.273 3.906 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 ZINC000303944794 972525752 /nfs/dbraw/zinc/52/57/52/972525752.db2.gz UJNVJLYPSIGQCQ-UHFFFAOYSA-N 0 1 409.471 3.908 20 5 HHBDMN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000008033580 961407138 /nfs/dbraw/zinc/40/71/38/961407138.db2.gz CHXVTHXKZCARES-LIRRHRJNSA-N 0 1 417.487 3.704 20 5 HHBDMN CC(C)(C)c1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000012254366 962259664 /nfs/dbraw/zinc/25/96/64/962259664.db2.gz UVNQDKBKJVEQRC-UHFFFAOYSA-N 0 1 414.285 3.504 20 5 HHBDMN Cc1ccc(C=Cc2n[nH]c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n2)o1 ZINC000012840096 962336220 /nfs/dbraw/zinc/33/62/20/962336220.db2.gz OASXAAVSYJUPGO-SNAWJCMRSA-N 0 1 400.416 3.944 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000015690885 962839695 /nfs/dbraw/zinc/83/96/95/962839695.db2.gz CTOQTUHYYJYMIH-LJQANCHMSA-N 0 1 415.515 3.649 20 5 HHBDMN CN1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016002802 962913041 /nfs/dbraw/zinc/91/30/41/962913041.db2.gz DJTYHPBYKYCCDD-RUDMXATFSA-N 0 1 400.866 3.652 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC1 ZINC000018011547 963250507 /nfs/dbraw/zinc/25/05/07/963250507.db2.gz HAKPRQWPLBFGOP-NRFANRHFSA-N 0 1 424.501 3.745 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](Nc3ncnc4sc([N+](=O)[O-])cc43)CC[N@H+]2C2CC2)c1 ZINC000553518851 1013417888 /nfs/dbraw/zinc/41/78/88/1013417888.db2.gz NQFZBYRXWUWDME-FUHWJXTLSA-N 0 1 411.487 3.998 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000542472234 1013419860 /nfs/dbraw/zinc/41/98/60/1013419860.db2.gz ILAFOWJHSJACPO-HNNXBMFYSA-N 0 1 405.336 3.560 20 5 HHBDMN CCc1ccc([C@@H](N[C@H]2CCCN(c3cnn(C)c3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542475178 1013422024 /nfs/dbraw/zinc/42/20/24/1013422024.db2.gz SOLAOLQGEQJDCE-JTSKRJEESA-N 0 1 409.490 3.832 20 5 HHBDMN COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000024019031 963923060 /nfs/dbraw/zinc/92/30/60/963923060.db2.gz PAYFYULJUYCIRK-LBPRGKRZSA-N 0 1 413.459 3.816 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)c1C ZINC000050534005 964348159 /nfs/dbraw/zinc/34/81/59/964348159.db2.gz ZWPDBPHAEILPMJ-UHFFFAOYSA-N 0 1 419.503 3.707 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccs1 ZINC000050551419 964352041 /nfs/dbraw/zinc/35/20/41/964352041.db2.gz SLYFBWXJGWGGJH-HNNXBMFYSA-N 0 1 402.501 3.813 20 5 HHBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000026877631 964705554 /nfs/dbraw/zinc/70/55/54/964705554.db2.gz MLQQSOSCPJWOJO-RKDXNWHRSA-N 0 1 420.331 3.783 20 5 HHBDMN COc1ccc(Cl)cc1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000027739515 964954994 /nfs/dbraw/zinc/95/49/94/964954994.db2.gz FEGQRFOYMAAKBC-UHFFFAOYSA-N 0 1 407.854 3.726 20 5 HHBDMN O=C(CCN1CCC(C(=O)c2cc(F)ccc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000052873087 965009258 /nfs/dbraw/zinc/00/92/58/965009258.db2.gz GVTIQXWVHVJQDR-UHFFFAOYSA-N 0 1 417.412 3.797 20 5 HHBDMN CC(=O)Nc1cccc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000028335430 965079096 /nfs/dbraw/zinc/07/90/96/965079096.db2.gz KYVPWUCXSBWLKV-NWDGAFQWSA-N 0 1 404.854 3.884 20 5 HHBDMN Cc1c(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)cccc1[N+](=O)[O-] ZINC000028900058 965211923 /nfs/dbraw/zinc/21/19/23/965211923.db2.gz UELVVVNLQTZWNX-UHFFFAOYSA-N 0 1 402.208 3.703 20 5 HHBDMN CCC[C@@H](C)N(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000029448182 965382962 /nfs/dbraw/zinc/38/29/62/965382962.db2.gz HVZIOWGZVUPHCK-CQSZACIVSA-N 0 1 405.476 3.656 20 5 HHBDMN CC[C@H](C)[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000057301107 965391997 /nfs/dbraw/zinc/39/19/97/965391997.db2.gz CDYCSAYILPMMRC-KBPBESRZSA-N 0 1 405.476 3.560 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000055651363 965997977 /nfs/dbraw/zinc/99/79/77/965997977.db2.gz XGMGHZUPJJTKEG-AWEZNQCLSA-N 0 1 417.487 3.719 20 5 HHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000031960214 966162663 /nfs/dbraw/zinc/16/26/63/966162663.db2.gz KLQRVJBADZAYDP-OAHLLOKOSA-N 0 1 409.577 3.553 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(=O)c1ccccc1 ZINC000032098090 966193501 /nfs/dbraw/zinc/19/35/01/966193501.db2.gz LMWIDZKMGHUNPP-UHFFFAOYSA-N 0 1 411.439 3.956 20 5 HHBDMN C[C@@H]1CCC[C@H](NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000033181212 966386904 /nfs/dbraw/zinc/38/69/04/966386904.db2.gz CPOWYGPSZILNCV-PBHICJAKSA-N 0 1 417.487 3.704 20 5 HHBDMN COc1cc(OCC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000061228432 966402323 /nfs/dbraw/zinc/40/23/23/966402323.db2.gz TWXSDNZUDYPLAZ-GOSISDBHSA-N 0 1 410.430 3.531 20 5 HHBDMN CCC[N@H+]1CC[C@@H](CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538087921 1013660285 /nfs/dbraw/zinc/66/02/85/1013660285.db2.gz HYUAEOGSKWYXMG-INIZCTEOSA-N 0 1 418.519 3.539 20 5 HHBDMN CCC[N@@H+]1CC[C@@H](CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538087921 1013660291 /nfs/dbraw/zinc/66/02/91/1013660291.db2.gz HYUAEOGSKWYXMG-INIZCTEOSA-N 0 1 418.519 3.539 20 5 HHBDMN CCC[N@H+]1CC[C@@H](CNc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000538087921 1013660298 /nfs/dbraw/zinc/66/02/98/1013660298.db2.gz HYUAEOGSKWYXMG-INIZCTEOSA-N 0 1 418.519 3.539 20 5 HHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000538120004 1013681999 /nfs/dbraw/zinc/68/19/99/1013681999.db2.gz KGAVAHJDOBIZJO-NEPJUHHUSA-N 0 1 409.389 3.883 20 5 HHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(CCc2cccs2)CC1 ZINC000064352103 967152213 /nfs/dbraw/zinc/15/22/13/967152213.db2.gz ZPAVIPVMGPAKKX-OAHLLOKOSA-N 0 1 413.503 3.628 20 5 HHBDMN C[C@H](NCC(=O)NCCc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000538174729 1013734020 /nfs/dbraw/zinc/73/40/20/1013734020.db2.gz FNUJFHGNTAUJSP-ZDUSSCGKSA-N 0 1 411.380 3.503 20 5 HHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1OC ZINC000542915729 1013754904 /nfs/dbraw/zinc/75/49/04/1013754904.db2.gz NDAWTUZVAODFEQ-IRXDYDNUSA-N 0 1 416.522 3.826 20 5 HHBDMN C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-c2ccncc2)cc1 ZINC000538235075 1013784167 /nfs/dbraw/zinc/78/41/67/1013784167.db2.gz VZPYZVAOPZOIJD-CQSZACIVSA-N 0 1 420.425 3.675 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])c(C)c4)C3)[nH]c2c1 ZINC000538266317 1013807320 /nfs/dbraw/zinc/80/73/20/1013807320.db2.gz ZLDJCRKTQBWPPU-OAHLLOKOSA-N 0 1 414.487 3.656 20 5 HHBDMN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000538276139 1013815762 /nfs/dbraw/zinc/81/57/62/1013815762.db2.gz HKDZRXMQFYAVEX-MRXNPFEDSA-N 0 1 412.490 3.675 20 5 HHBDMN Cc1nc(-c2ccc(C)cc2NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000538279671 1013817957 /nfs/dbraw/zinc/81/79/57/1013817957.db2.gz PETWHAXNCBNQGD-CQSZACIVSA-N 0 1 408.462 3.594 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000065857423 968683980 /nfs/dbraw/zinc/68/39/80/968683980.db2.gz MYLBSLPMGBHMAX-QGZVFWFLSA-N 0 1 416.459 3.686 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)c1C ZINC000072035786 968948002 /nfs/dbraw/zinc/94/80/02/968948002.db2.gz VZYACTHTEOEFCE-QGZVFWFLSA-N 0 1 416.459 3.740 20 5 HHBDMN COc1cccc([C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000072109464 968992401 /nfs/dbraw/zinc/99/24/01/968992401.db2.gz IFMFGGVPOVHUEE-IBGZPJMESA-N 0 1 403.866 3.824 20 5 HHBDMN C[C@@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H](C)O1 ZINC000107926835 969345427 /nfs/dbraw/zinc/34/54/27/969345427.db2.gz CWIMWVBRLGACKS-CALCHBBNSA-N 0 1 413.474 3.616 20 5 HHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000217197292 970083775 /nfs/dbraw/zinc/08/37/75/970083775.db2.gz YNZMRTDDBFRWRF-QGZVFWFLSA-N 0 1 407.392 3.547 20 5 HHBDMN COc1cc(CNCCOc2ccccc2C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000237185322 970237708 /nfs/dbraw/zinc/23/77/08/970237708.db2.gz PSHHUHAQOUZRJD-UHFFFAOYSA-N 0 1 400.353 3.799 20 5 HHBDMN COc1ccc(-c2ccc(CNCc3cccnc3-n3cccn3)o2)c([N+](=O)[O-])c1 ZINC000237418440 970281978 /nfs/dbraw/zinc/28/19/78/970281978.db2.gz FNCAXVQFNIAJJS-UHFFFAOYSA-N 0 1 405.414 3.734 20 5 HHBDMN Cc1ccc(CN[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cc1[N+](=O)[O-] ZINC000237800801 970370130 /nfs/dbraw/zinc/37/01/30/970370130.db2.gz PXSBDFZXZRJVDF-MRXNPFEDSA-N 0 1 409.364 3.697 20 5 HHBDMN O=C(CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)NCC(F)(F)F ZINC000237874571 970387218 /nfs/dbraw/zinc/38/72/18/970387218.db2.gz DKHPDONEEKMOIU-UHFFFAOYSA-N 0 1 417.771 3.809 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N1CCCC1 ZINC000248183399 970519110 /nfs/dbraw/zinc/51/91/10/970519110.db2.gz FTYACOWCZCFTHF-SFHVURJKSA-N 0 1 403.866 3.824 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])[nH]c2c1 ZINC000554682429 1014011062 /nfs/dbraw/zinc/01/10/62/1014011062.db2.gz GKCKDRDIWITGIX-ZDUSSCGKSA-N 0 1 406.489 3.586 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000409866201 973333889 /nfs/dbraw/zinc/33/38/89/973333889.db2.gz JFCGLQITEKZFEU-UHFFFAOYSA-N 0 1 417.487 3.767 20 5 HHBDMN Cn1cc(CN2CCC[C@@H](Oc3ncccc3F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425990942 974103439 /nfs/dbraw/zinc/10/34/39/974103439.db2.gz QJSAPOAHIDJGTN-GOSISDBHSA-N 0 1 411.437 3.573 20 5 HHBDMN CN(C)[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccc(F)c1 ZINC000426256876 974350682 /nfs/dbraw/zinc/35/06/82/974350682.db2.gz PTMRXHNGLDHLCQ-FQEVSTJZSA-N 0 1 400.454 3.711 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000427719913 975251755 /nfs/dbraw/zinc/25/17/55/975251755.db2.gz RDSBAPHOWBYOEE-OAHLLOKOSA-N 0 1 413.478 3.789 20 5 HHBDMN O=C(N[C@@H]1CSc2ccc(Br)cc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000428208147 975532138 /nfs/dbraw/zinc/53/21/38/975532138.db2.gz NBLTVVTZSJTIDG-CYBMUJFWSA-N 0 1 419.260 3.810 20 5 HHBDMN CC1(C)Cc2c(cccc2Br)[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429367263 976635912 /nfs/dbraw/zinc/63/59/12/976635912.db2.gz NCKUDILMBFACMG-QGZVFWFLSA-N 0 1 418.291 3.869 20 5 HHBDMN Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000431029524 977964765 /nfs/dbraw/zinc/96/47/65/977964765.db2.gz DRFMZCDIUQUCTN-MRXNPFEDSA-N 0 1 422.279 3.826 20 5 HHBDMN CCN(CC)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccco1 ZINC000431814757 978533330 /nfs/dbraw/zinc/53/33/30/978533330.db2.gz UCKDLRQFUJRWCY-OAHLLOKOSA-N 0 1 410.268 3.763 20 5 HHBDMN COCCCOc1cccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000432191674 978707384 /nfs/dbraw/zinc/70/73/84/978707384.db2.gz KCGACHPZQJKIJD-UHFFFAOYSA-N 0 1 414.867 3.773 20 5 HHBDMN CCn1cccc(CNCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)c1=O ZINC000433191000 979131299 /nfs/dbraw/zinc/13/12/99/979131299.db2.gz SXKKDSONBNXIOD-UHFFFAOYSA-N 0 1 423.469 3.654 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1[N+](=O)[O-] ZINC000433743450 979538585 /nfs/dbraw/zinc/53/85/85/979538585.db2.gz BEXPNAVEGCGNEJ-UHFFFAOYSA-N 0 1 424.379 3.594 20 5 HHBDMN CC[C@H](c1nnc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])s1)c1ccccc1 ZINC000433770677 979562280 /nfs/dbraw/zinc/56/22/80/979562280.db2.gz IABQXAABPOYXBO-LBPRGKRZSA-N 0 1 400.464 4.087 20 5 HHBDMN CC(C)c1n[nH]c(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1[N+](=O)[O-] ZINC000433846714 979622604 /nfs/dbraw/zinc/62/26/04/979622604.db2.gz ANRBBCLJKZEMMD-SFHVURJKSA-N 0 1 404.430 3.837 20 5 HHBDMN Cc1cc(Br)ccc1CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000434341156 980103653 /nfs/dbraw/zinc/10/36/53/980103653.db2.gz KGOSEDHCXGHNGD-UHFFFAOYSA-N 0 1 403.236 3.814 20 5 HHBDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000435657280 980976503 /nfs/dbraw/zinc/97/65/03/980976503.db2.gz WGFAWCQWLFGFAK-UHFFFAOYSA-N 0 1 418.497 3.905 20 5 HHBDMN COc1cccc(C(=O)Nc2ccc(CN3CCSCC3)cc2C)c1[N+](=O)[O-] ZINC000435696727 980990888 /nfs/dbraw/zinc/99/08/88/980990888.db2.gz VMDBUWPZDVVFDT-UHFFFAOYSA-N 0 1 401.488 3.713 20 5 HHBDMN CC(C)CCSc1ccc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)cc1[N+](=O)[O-] ZINC000435719000 981000671 /nfs/dbraw/zinc/00/06/71/981000671.db2.gz ZVGUFIKYPNZELM-UHFFFAOYSA-N 0 1 414.491 4.109 20 5 HHBDMN CC(C)(CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCCCC1 ZINC000435820437 981044839 /nfs/dbraw/zinc/04/48/39/981044839.db2.gz XBLWOSBCDXPAMQ-UHFFFAOYSA-N 0 1 413.468 3.954 20 5 HHBDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)c2cccc([N+](=O)[O-])c2)C1 ZINC000435902041 981083989 /nfs/dbraw/zinc/08/39/89/981083989.db2.gz KESOPKXTDDENQY-UHFFFAOYSA-N 0 1 406.486 3.979 20 5 HHBDMN COc1ccccc1-c1n[nH]c(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC000436126532 981210861 /nfs/dbraw/zinc/21/08/61/981210861.db2.gz DTRZWOIMJFUJLZ-UHFFFAOYSA-N 0 1 411.421 3.727 20 5 HHBDMN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436140508 981216684 /nfs/dbraw/zinc/21/66/84/981216684.db2.gz ROUPNWFGRFFEHI-UONOGXRCSA-N 0 1 413.468 3.810 20 5 HHBDMN COC(=O)c1cccc(F)c1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000436163496 981228939 /nfs/dbraw/zinc/22/89/39/981228939.db2.gz HUWHPLSPNMOBOO-UHFFFAOYSA-N 0 1 423.205 3.628 20 5 HHBDMN C[C@H](Sc1nc(-c2ccccc2O)n[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000436853580 981592285 /nfs/dbraw/zinc/59/22/85/981592285.db2.gz KNBYJQAZWJODIY-JTQLQIEISA-N 0 1 410.415 3.989 20 5 HHBDMN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000436948110 981639311 /nfs/dbraw/zinc/63/93/11/981639311.db2.gz OFXMFIQQTLUTSM-UHFFFAOYSA-N 0 1 423.391 3.667 20 5 HHBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NCc1ncn(Cc2cccc(F)c2)n1 ZINC000437103684 981762781 /nfs/dbraw/zinc/76/27/81/981762781.db2.gz ATCUXEGJZBTXQU-FXAWDEMLSA-N 0 1 409.465 3.875 20 5 HHBDMN C[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCc2ccccc2C1 ZINC000438018388 982527170 /nfs/dbraw/zinc/52/71/70/982527170.db2.gz WQFDQFMSEAJWPX-KRWDZBQOSA-N 0 1 408.502 3.716 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000461050118 982749982 /nfs/dbraw/zinc/74/99/82/982749982.db2.gz XJHMWZRUQUZLAY-MRXNPFEDSA-N 0 1 407.392 3.926 20 5 HHBDMN COc1ccc(OCCN[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000438671013 982990080 /nfs/dbraw/zinc/99/00/80/982990080.db2.gz MIPLCMOPWGXQJH-JOCHJYFZSA-N 0 1 421.453 3.952 20 5 HHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(-c3nncs3)cc2)cc1[N+](=O)[O-] ZINC000439253984 983333595 /nfs/dbraw/zinc/33/35/95/983333595.db2.gz DCWORIZAFLZXRF-UHFFFAOYSA-N 0 1 410.864 3.876 20 5 HHBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440532278 983786032 /nfs/dbraw/zinc/78/60/32/983786032.db2.gz FPOQNYLRCJFIPB-UHFFFAOYSA-N 0 1 418.881 3.651 20 5 HHBDMN Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000441537983 984310935 /nfs/dbraw/zinc/31/09/35/984310935.db2.gz YNMZOUWZWKDDNU-QGZVFWFLSA-N 0 1 420.878 3.959 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441542103 984312572 /nfs/dbraw/zinc/31/25/72/984312572.db2.gz FFNQDTUFVBIXBZ-OAHLLOKOSA-N 0 1 424.841 3.789 20 5 HHBDMN Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442315957 984814273 /nfs/dbraw/zinc/81/42/73/984814273.db2.gz RROLFRMFBLUTRU-UHFFFAOYSA-N 0 1 402.457 3.645 20 5 HHBDMN Cc1csc(CCCCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000462151071 985122847 /nfs/dbraw/zinc/12/28/47/985122847.db2.gz MHXLDEWMRWBZRJ-UHFFFAOYSA-N 0 1 424.331 3.968 20 5 HHBDMN CCc1nc([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cs1 ZINC000462151172 985123084 /nfs/dbraw/zinc/12/30/84/985123084.db2.gz OBAAGVOXRCGGHE-SSDOTTSWSA-N 0 1 410.304 3.960 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)c1C ZINC000462325132 985314664 /nfs/dbraw/zinc/31/46/64/985314664.db2.gz FOTGWIVSKQUKCL-KXBFYZLASA-N 0 1 423.560 3.635 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN([C@H](C)c2ccsc2)CC1 ZINC000462457442 985419580 /nfs/dbraw/zinc/41/95/80/985419580.db2.gz ZTIUKXKRBYNJLG-MRXNPFEDSA-N 0 1 402.520 3.672 20 5 HHBDMN CNc1c(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cccc1[N+](=O)[O-] ZINC000462764256 985701381 /nfs/dbraw/zinc/70/13/81/985701381.db2.gz FEWDCAVIVJYHSD-HNNXBMFYSA-N 0 1 412.494 3.822 20 5 HHBDMN CNc1c(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000462775328 985711573 /nfs/dbraw/zinc/71/15/73/985711573.db2.gz GIHIMTFPZCSNNX-ORAYPTAESA-N 0 1 420.872 3.852 20 5 HHBDMN CNC(=O)c1ccc(NCc2ccccc2CN(C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000462887856 985813516 /nfs/dbraw/zinc/81/35/16/985813516.db2.gz KTIJAIRVXQPNNG-UHFFFAOYSA-N 0 1 408.458 3.792 20 5 HHBDMN CCN([C@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443711008 985922050 /nfs/dbraw/zinc/92/20/50/985922050.db2.gz QMUUJTATLJUYSC-UTKZUKDTSA-N 0 1 417.531 3.582 20 5 HHBDMN COc1cc(CN2CC[C@@H](n3cccn3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000463034285 985993988 /nfs/dbraw/zinc/99/39/88/985993988.db2.gz MSAQCKHDMOTOEP-HXUWFJFHSA-N 0 1 408.458 3.826 20 5 HHBDMN C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1OCCCO ZINC000463038815 985998070 /nfs/dbraw/zinc/99/80/70/985998070.db2.gz QYHQDSKVHITBCR-CYBMUJFWSA-N 0 1 409.280 3.969 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@H](c4ncc(C(F)(F)F)[nH]4)C3)n2)cc1 ZINC000443957881 986165197 /nfs/dbraw/zinc/16/51/97/986165197.db2.gz KTVUCSMKDYIGMS-NSHDSACASA-N 0 1 408.340 3.771 20 5 HHBDMN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H](N2CCCCC2)C1 ZINC000444008185 986204057 /nfs/dbraw/zinc/20/40/57/986204057.db2.gz HPZQLROPYCFQKJ-OAHLLOKOSA-N 0 1 411.452 3.660 20 5 HHBDMN CN(C)Cc1ccnc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1 ZINC000444096058 986294105 /nfs/dbraw/zinc/29/41/05/986294105.db2.gz IBWOBOKDUBTROX-UHFFFAOYSA-N 0 1 408.408 3.668 20 5 HHBDMN CCOC(=O)c1csc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000468593498 986302628 /nfs/dbraw/zinc/30/26/28/986302628.db2.gz AEOCHIUHSRHNST-UHFFFAOYSA-N 0 1 418.500 3.684 20 5 HHBDMN O=[N+]([O-])c1ccc2[nH]c(CN(CCCOc3ccccc3)C3CCOCC3)nc2c1 ZINC000444685023 986864826 /nfs/dbraw/zinc/86/48/26/986864826.db2.gz QAGACIWKQXVBHS-UHFFFAOYSA-N 0 1 410.474 3.921 20 5 HHBDMN O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000469200831 986924794 /nfs/dbraw/zinc/92/47/94/986924794.db2.gz SXMGETSBCXBHMT-CQSZACIVSA-N 0 1 409.467 3.959 20 5 HHBDMN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Br)s1 ZINC000444769848 986929170 /nfs/dbraw/zinc/92/91/70/986929170.db2.gz XUQNCEHUIBPAGO-JTQLQIEISA-N 0 1 410.293 3.659 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000444901053 987049891 /nfs/dbraw/zinc/04/98/91/987049891.db2.gz JYCBZZOSNOIIMZ-OAHLLOKOSA-N 0 1 422.445 3.800 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469495697 987174833 /nfs/dbraw/zinc/17/48/33/987174833.db2.gz KFFIAYQOHHKRPW-MRXNPFEDSA-N 0 1 411.380 3.655 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)cc2)C[C@H](C)O1 ZINC000445476666 987540816 /nfs/dbraw/zinc/54/08/16/987540816.db2.gz GSJZKXFQLOGTDK-BETUJISGSA-N 0 1 400.460 3.983 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000470145581 988052553 /nfs/dbraw/zinc/05/25/53/988052553.db2.gz WRADIQLWFQVPLG-LJQANCHMSA-N 0 1 402.426 3.701 20 5 HHBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000470147557 988054767 /nfs/dbraw/zinc/05/47/67/988054767.db2.gz PQRLAPZHZWJKKK-CQSZACIVSA-N 0 1 424.314 3.782 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000470712318 988734468 /nfs/dbraw/zinc/73/44/68/988734468.db2.gz WOMVVVNSXWUYIM-NSHDSACASA-N 0 1 413.261 3.871 20 5 HHBDMN CC[C@@H](CN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-])Oc1ccc(Cl)c(Cl)c1 ZINC000470722137 988747798 /nfs/dbraw/zinc/74/77/98/988747798.db2.gz HLXKPQQEUYGNBF-JTQLQIEISA-N 0 1 401.250 3.863 20 5 HHBDMN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nc2ccc(Br)cc2[nH]1 ZINC000464576408 988752733 /nfs/dbraw/zinc/75/27/33/988752733.db2.gz PNMPTSGWGXXMCB-UHFFFAOYSA-N 0 1 405.208 3.641 20 5 HHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000470875626 988944233 /nfs/dbraw/zinc/94/42/33/988944233.db2.gz IDJKDUZKNJZAAG-UHFFFAOYSA-N 0 1 402.407 3.827 20 5 HHBDMN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000464735100 988955902 /nfs/dbraw/zinc/95/59/02/988955902.db2.gz MJZSGIBOKGLTPL-AWEZNQCLSA-N 0 1 417.428 3.616 20 5 HHBDMN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000471173292 989300805 /nfs/dbraw/zinc/30/08/05/989300805.db2.gz QBFHLJURXUCOSS-KRWDZBQOSA-N 0 1 402.882 3.788 20 5 HHBDMN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1nnc(COc2ccccc2)[n-]1 ZINC000471607990 989812405 /nfs/dbraw/zinc/81/24/05/989812405.db2.gz ANELRDQYLSDWGR-VQIMIIECSA-N 0 1 407.474 3.793 20 5 HHBDMN Cc1sc(S(=O)(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1[N+](=O)[O-] ZINC000467044312 992353549 /nfs/dbraw/zinc/35/35/49/992353549.db2.gz GSRISGDMTJCVMJ-ZDUSSCGKSA-N 0 1 420.516 3.718 20 5 HHBDMN Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000481063899 993904949 /nfs/dbraw/zinc/90/49/49/993904949.db2.gz YURFZUAAWPSACQ-QAPCUYQASA-N 0 1 423.560 3.635 20 5 HHBDMN CC(C)(CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC000481505256 994337483 /nfs/dbraw/zinc/33/74/83/994337483.db2.gz LMWRFLLNLDCAPU-UHFFFAOYSA-N 0 1 417.263 3.941 20 5 HHBDMN COc1ccc(-c2n[nH]c(SCc3nc4cc([N+](=O)[O-])ccc4[nH]3)n2)c(OC)c1 ZINC000473794708 994719897 /nfs/dbraw/zinc/71/98/97/994719897.db2.gz MLMACSLGHBMYCH-UHFFFAOYSA-N 0 1 412.431 3.566 20 5 HHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ncc(-c3ccccc3)cn2)cc1[N+](=O)[O-] ZINC000481873369 994738017 /nfs/dbraw/zinc/73/80/17/994738017.db2.gz VYXYFGYRYHZRBN-UHFFFAOYSA-N 0 1 404.835 3.814 20 5 HHBDMN Cc1nc(-c2ccc(CCNC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)s2)cs1 ZINC000481940220 994816478 /nfs/dbraw/zinc/81/64/78/994816478.db2.gz DVKNRRGZHFISPF-UHFFFAOYSA-N 0 1 413.484 3.937 20 5 HHBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000481991911 994892760 /nfs/dbraw/zinc/89/27/60/994892760.db2.gz MPKYTGKWFUKZFT-HOTGVXAUSA-N 0 1 409.552 3.572 20 5 HHBDMN COC(=O)c1ccc(-c2ccc(CN3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)o2)cc1 ZINC000482008903 994913223 /nfs/dbraw/zinc/91/32/23/994913223.db2.gz NPDHFMBYSYPINX-KRWDZBQOSA-N 0 1 422.441 3.723 20 5 HHBDMN COc1cccc([C@H]2[C@@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)CCN2C2CC2)c1 ZINC000482049131 994972660 /nfs/dbraw/zinc/97/26/60/994972660.db2.gz MZWGKOBGCXDTHS-VXKWHMMOSA-N 0 1 423.513 3.975 20 5 HHBDMN COc1ccc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000482527076 995535634 /nfs/dbraw/zinc/53/56/34/995535634.db2.gz HKUHXRIZKADXKJ-INIZCTEOSA-N 0 1 407.352 3.620 20 5 HHBDMN CO[C@@]1(C)CCCN([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000483013846 995919714 /nfs/dbraw/zinc/91/97/14/995919714.db2.gz HNBGWCKHFPSRSV-XOBRGWDASA-N 0 1 418.519 3.936 20 5 HHBDMN COc1cc(CN2CCC[C@](C)(O)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000475334533 996075964 /nfs/dbraw/zinc/07/59/64/996075964.db2.gz LILJWTTWGDVPSH-QFIPXVFZSA-N 0 1 400.475 3.919 20 5 HHBDMN COc1c(C(=O)Nc2cc(CN3CCSCC3)ccc2C)cccc1[N+](=O)[O-] ZINC000475461438 996156360 /nfs/dbraw/zinc/15/63/60/996156360.db2.gz FZWPAKOABPCIFY-UHFFFAOYSA-N 0 1 401.488 3.713 20 5 HHBDMN COC(=O)c1cccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)[nH]c21 ZINC000484416642 996755527 /nfs/dbraw/zinc/75/55/27/996755527.db2.gz PUPPXPLKJXQIIZ-UHFFFAOYSA-N 0 1 408.292 3.529 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc1 ZINC000476391462 996841925 /nfs/dbraw/zinc/84/19/25/996841925.db2.gz KZHJXJIFEMHGRC-UHFFFAOYSA-N 0 1 403.391 3.509 20 5 HHBDMN O=c1ccc([N+](=O)[O-])cn1CCNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000485003083 997366485 /nfs/dbraw/zinc/36/64/85/997366485.db2.gz QRYIGQQIBKRNGM-UHFFFAOYSA-N 0 1 401.772 3.708 20 5 HHBDMN Cc1c(F)cccc1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000485399399 997829068 /nfs/dbraw/zinc/82/90/68/997829068.db2.gz OYZZLPGYRVAIST-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000477173238 997840829 /nfs/dbraw/zinc/84/08/29/997840829.db2.gz FKWNFFWCXBQQME-CQSZACIVSA-N 0 1 417.878 3.559 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000477458976 998170292 /nfs/dbraw/zinc/17/02/92/998170292.db2.gz MHOUCKRNGWAYJE-UHFFFAOYSA-N 0 1 409.364 3.840 20 5 HHBDMN C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCN1Cc1ccccc1 ZINC000485795632 998264805 /nfs/dbraw/zinc/26/48/05/998264805.db2.gz UANAPYAYUHBZHB-OAHLLOKOSA-N 0 1 419.428 3.933 20 5 HHBDMN C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000486189735 998631712 /nfs/dbraw/zinc/63/17/12/998631712.db2.gz CKEJEDWXRQTRFT-ZDUSSCGKSA-N 0 1 420.872 3.630 20 5 HHBDMN CCN(CC1CCC1)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000478278398 998860238 /nfs/dbraw/zinc/86/02/38/998860238.db2.gz JXXVTXKRQDBEGQ-UHFFFAOYSA-N 0 1 417.487 3.658 20 5 HHBDMN O=C(NCC1(c2cccc(Br)c2)CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000487317212 999133738 /nfs/dbraw/zinc/13/37/38/999133738.db2.gz FHFUPABKVIXBOU-UHFFFAOYSA-N 0 1 407.268 3.712 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc(OC3CCCC3)c2)cc1[N+](=O)[O-] ZINC000488280953 999422410 /nfs/dbraw/zinc/42/24/10/999422410.db2.gz MFPVVOIXVUWRIB-UHFFFAOYSA-N 0 1 410.423 3.865 20 5 HHBDMN Cc1cc(Br)ccc1NC(=O)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000479916614 999648120 /nfs/dbraw/zinc/64/81/20/999648120.db2.gz AEBYKWODXZHYQA-UHFFFAOYSA-N 0 1 410.243 3.923 20 5 HHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000489774981 999835808 /nfs/dbraw/zinc/83/58/08/999835808.db2.gz IZDAJOHYYFIHRZ-MRXNPFEDSA-N 0 1 411.506 3.750 20 5 HHBDMN CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000490008635 999876743 /nfs/dbraw/zinc/87/67/43/999876743.db2.gz HMHOMWGUBKUUQE-IBGZPJMESA-N 0 1 419.485 3.517 20 5 HHBDMN CCCOc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1OCC ZINC000490358587 999944036 /nfs/dbraw/zinc/94/40/36/999944036.db2.gz AAFBXPZMHAGAMS-UHFFFAOYSA-N 0 1 411.418 3.820 20 5 HHBDMN COc1ccc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1Cl ZINC000490361722 999944719 /nfs/dbraw/zinc/94/47/19/999944719.db2.gz FVTYIKHSHOHBPA-UHFFFAOYSA-N 0 1 401.810 3.613 20 5 HHBDMN Cc1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000490379608 999948166 /nfs/dbraw/zinc/94/81/66/999948166.db2.gz UPDGBAKUWJYKAL-UHFFFAOYSA-N 0 1 423.820 3.780 20 5 HHBDMN O=C(CCc1ncc(-c2ccccc2F)o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490380354 999948342 /nfs/dbraw/zinc/94/83/42/999948342.db2.gz WCQGMDSBKWHFCJ-UHFFFAOYSA-N 0 1 422.376 3.745 20 5 HHBDMN CCOc1cc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000492696568 1000139575 /nfs/dbraw/zinc/13/95/75/1000139575.db2.gz OGSGSWOFIUWISZ-UHFFFAOYSA-N 0 1 409.486 3.795 20 5 HHBDMN Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000493815268 1000195303 /nfs/dbraw/zinc/19/53/03/1000195303.db2.gz ICXZEPSJDOTGKK-BEFAXECRSA-N 0 1 423.560 3.635 20 5 HHBDMN Cc1c(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000493924063 1000216972 /nfs/dbraw/zinc/21/69/72/1000216972.db2.gz GLXWVKRJSCQJPS-KHDYIWLOSA-N 0 1 405.401 3.628 20 5 HHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000504691187 1000328029 /nfs/dbraw/zinc/32/80/29/1000328029.db2.gz GAXSLPXONQFPEA-CYBMUJFWSA-N 0 1 400.822 3.808 20 5 HHBDMN CCOc1ccc([C@H](C)NCc2ccnc(OC3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000504926565 1000452241 /nfs/dbraw/zinc/45/22/41/1000452241.db2.gz JCSDTJWKQGMNMD-HNNXBMFYSA-N 0 1 401.463 3.797 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000504927828 1000453304 /nfs/dbraw/zinc/45/33/04/1000453304.db2.gz VHDQTOCCXKGONU-HUUCEWRRSA-N 0 1 421.519 3.656 20 5 HHBDMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000494450040 1000498920 /nfs/dbraw/zinc/49/89/20/1000498920.db2.gz DKNGHXCGHYBMJL-UHFFFAOYSA-N 0 1 417.531 3.891 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494474349 1000511720 /nfs/dbraw/zinc/51/17/20/1000511720.db2.gz MHLPEOFOBPOFFS-MJGOQNOKSA-N 0 1 407.829 3.754 20 5 HHBDMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494479779 1000515096 /nfs/dbraw/zinc/51/50/96/1000515096.db2.gz YYGHQTOTRHAOSK-SDDDUWNISA-N 0 1 407.829 3.834 20 5 HHBDMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000494481696 1000516518 /nfs/dbraw/zinc/51/65/18/1000516518.db2.gz BJXKEJRRJSKUDX-UHFFFAOYSA-N 0 1 403.504 3.583 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494512234 1000532925 /nfs/dbraw/zinc/53/29/25/1000532925.db2.gz YFWZEQAAXMDDGO-VQIMIIECSA-N 0 1 407.829 3.754 20 5 HHBDMN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1 ZINC000494627364 1000579170 /nfs/dbraw/zinc/57/91/70/1000579170.db2.gz YTTAJBZEPAQDDP-UHFFFAOYSA-N 0 1 409.486 3.874 20 5 HHBDMN CC(C)OCCCN(C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000495024710 1000785707 /nfs/dbraw/zinc/78/57/07/1000785707.db2.gz LAHUEDQYUQYRPX-CQSZACIVSA-N 0 1 406.508 3.792 20 5 HHBDMN COc1ccc(-c2n[nH]c(CNC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n2)cc1 ZINC000505525405 1000869802 /nfs/dbraw/zinc/86/98/02/1000869802.db2.gz CVBLHUJTHCAJCB-UHFFFAOYSA-N 0 1 409.446 3.616 20 5 HHBDMN COc1ccc(-c2nc(CNC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000505525405 1000869806 /nfs/dbraw/zinc/86/98/06/1000869806.db2.gz CVBLHUJTHCAJCB-UHFFFAOYSA-N 0 1 409.446 3.616 20 5 HHBDMN COc1cc(CCC2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)cc(OC)c1 ZINC000505753403 1001007009 /nfs/dbraw/zinc/00/70/09/1001007009.db2.gz SAJBXZIRHTXIDT-UHFFFAOYSA-N 0 1 414.458 3.803 20 5 HHBDMN O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505787705 1001023786 /nfs/dbraw/zinc/02/37/86/1001023786.db2.gz QFGFMTSRHSVNCS-QGZVFWFLSA-N 0 1 407.829 3.660 20 5 HHBDMN O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505787704 1001024103 /nfs/dbraw/zinc/02/41/03/1001024103.db2.gz QFGFMTSRHSVNCS-KRWDZBQOSA-N 0 1 407.829 3.660 20 5 HHBDMN COc1cc(CN(C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000497201203 1001280332 /nfs/dbraw/zinc/28/03/32/1001280332.db2.gz VDADHYPJXONEAP-DOMZBBRYSA-N 0 1 406.401 3.527 20 5 HHBDMN CC[C@@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)c(OC)c1 ZINC000506640407 1001480022 /nfs/dbraw/zinc/48/00/22/1001480022.db2.gz YWAXXTLDEROXHD-CZUORRHYSA-N 0 1 417.462 3.689 20 5 HHBDMN Cc1cccc2[nH]c(CNS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])nc21 ZINC000497948145 1001575778 /nfs/dbraw/zinc/57/57/78/1001575778.db2.gz FOKQPXRRRPPRSH-UHFFFAOYSA-N 0 1 415.258 3.565 20 5 HHBDMN CCN([C@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000497985722 1001591772 /nfs/dbraw/zinc/59/17/72/1001591772.db2.gz WPKLWDQZSZWOFP-MJGOQNOKSA-N 0 1 417.531 3.749 20 5 HHBDMN O=[N+]([O-])c1cccc(CN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000507175616 1001862718 /nfs/dbraw/zinc/86/27/18/1001862718.db2.gz WPYZRDVFCLFYLM-UHFFFAOYSA-N 0 1 406.442 3.921 20 5 HHBDMN CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507580424 1002185055 /nfs/dbraw/zinc/18/50/55/1002185055.db2.gz OOHBGPZCDVHLTB-UHFFFAOYSA-N 0 1 408.458 3.916 20 5 HHBDMN Cn1ccnc1C(=O)c1ccc(N[C@H](CN2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000498805615 1002190175 /nfs/dbraw/zinc/19/01/75/1002190175.db2.gz OHFBVKXSIRAUJK-HXUWFJFHSA-N 0 1 419.485 3.808 20 5 HHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498935672 1002333294 /nfs/dbraw/zinc/33/32/94/1002333294.db2.gz LRMFGYDMEYUOIO-SWLSCSKDSA-N 0 1 409.450 3.581 20 5 HHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498935673 1002333755 /nfs/dbraw/zinc/33/37/55/1002333755.db2.gz LRMFGYDMEYUOIO-WFASDCNBSA-N 0 1 409.450 3.581 20 5 HHBDMN C[C@@H](Nc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1[N+](=O)[O-])c1ccccn1 ZINC000508020699 1002544915 /nfs/dbraw/zinc/54/49/15/1002544915.db2.gz AOMDVZDRDALGMC-GFCCVEGCSA-N 0 1 403.402 3.687 20 5 HHBDMN COc1cccc(C2(F)CCN(CCOc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000500170804 1003522371 /nfs/dbraw/zinc/52/23/71/1003522371.db2.gz NHCSXCYQNINKIF-UHFFFAOYSA-N 0 1 404.438 3.952 20 5 HHBDMN COc1c(C)cc(C)cc1S(=O)(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000509202527 1003621685 /nfs/dbraw/zinc/62/16/85/1003621685.db2.gz KCFBFMASEZTCRQ-UHFFFAOYSA-N 0 1 416.459 3.515 20 5 HHBDMN O=C(CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000511830823 1003802937 /nfs/dbraw/zinc/80/29/37/1003802937.db2.gz SPCHPHVZNRGDOC-LZLYRXPVSA-N 0 1 409.442 3.530 20 5 HHBDMN COc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1[N+](=O)[O-] ZINC000511831600 1003804872 /nfs/dbraw/zinc/80/48/72/1003804872.db2.gz ITXBRHAGCHGBAR-MRXNPFEDSA-N 0 1 423.391 3.627 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cc(-c3cncc(F)c3)ccc2C)ccc1[N+](=O)[O-] ZINC000509388647 1003818491 /nfs/dbraw/zinc/81/84/91/1003818491.db2.gz ZDDLHQXABFXYEI-UHFFFAOYSA-N 0 1 417.418 3.914 20 5 HHBDMN Cc1c(CC(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000512279836 1004180860 /nfs/dbraw/zinc/18/08/60/1004180860.db2.gz NJAFQAZJYAEPQD-UHFFFAOYSA-N 0 1 416.235 3.632 20 5 HHBDMN COc1ccc(CN2CCC(n3cncn3)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512375723 1004256870 /nfs/dbraw/zinc/25/68/70/1004256870.db2.gz WYDLBOOYXAEORG-UHFFFAOYSA-N 0 1 423.473 3.611 20 5 HHBDMN C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000501770941 1004709279 /nfs/dbraw/zinc/70/92/79/1004709279.db2.gz REFZHRCVXIWDPX-IRXDYDNUSA-N 0 1 407.474 3.740 20 5 HHBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Br)cc1 ZINC000501841015 1004769974 /nfs/dbraw/zinc/76/99/74/1004769974.db2.gz GTBFSOQILWQCCQ-SNVBAGLBSA-N 0 1 416.235 3.885 20 5 HHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1ccccc1)N(CCO)CC1CC1 ZINC000510931123 1004939782 /nfs/dbraw/zinc/93/97/82/1004939782.db2.gz BWNQXLOFYRVKMJ-LJQANCHMSA-N 0 1 403.866 3.632 20 5 HHBDMN C[C@@H]1C[C@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000513660707 1005070982 /nfs/dbraw/zinc/07/09/82/1005070982.db2.gz JYGGBBSTUKQVSO-PIPMEXSNSA-N 0 1 405.502 3.670 20 5 HHBDMN CC(C)CN1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3SCCO)c2C1 ZINC000511414560 1005166320 /nfs/dbraw/zinc/16/63/20/1005166320.db2.gz OLUOOXIOGOMWJG-UHFFFAOYSA-N 0 1 415.515 3.903 20 5 HHBDMN Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC000513944338 1005197596 /nfs/dbraw/zinc/19/75/96/1005197596.db2.gz MRXHGLCJTIGHOI-KSSFIOAISA-N 0 1 412.494 3.625 20 5 HHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000514186196 1005303463 /nfs/dbraw/zinc/30/34/63/1005303463.db2.gz OFIJQWFJNOKAFA-QFIPXVFZSA-N 0 1 408.502 3.753 20 5 HHBDMN Cc1ccc(S(=O)(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000503981684 1005525298 /nfs/dbraw/zinc/52/52/98/1005525298.db2.gz JXTTZNXBOYIAGE-CQSZACIVSA-N 0 1 410.320 3.763 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc(Cl)c(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000504033272 1005537001 /nfs/dbraw/zinc/53/70/01/1005537001.db2.gz KEYQFMFICSDMPQ-UHFFFAOYSA-N 0 1 408.766 3.659 20 5 HHBDMN CN1CC[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000534017390 1005987470 /nfs/dbraw/zinc/98/74/70/1005987470.db2.gz HCYWYUHWPRMMAZ-SJLPKXTDSA-N 0 1 423.391 3.711 20 5 HHBDMN CN1CC[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000534017392 1005987663 /nfs/dbraw/zinc/98/76/63/1005987663.db2.gz HCYWYUHWPRMMAZ-WMZOPIPTSA-N 0 1 423.391 3.711 20 5 HHBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000534017316 1005987778 /nfs/dbraw/zinc/98/77/78/1005987778.db2.gz GDBAIKDHHWACQI-IYJAJMOOSA-N 0 1 403.866 3.577 20 5 HHBDMN CN(C)Cc1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1F ZINC000534262642 1006271167 /nfs/dbraw/zinc/27/11/67/1006271167.db2.gz OVTPGNWDIGMGON-UHFFFAOYSA-N 0 1 414.462 3.849 20 5 HHBDMN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1 ZINC000515365388 1006421284 /nfs/dbraw/zinc/42/12/84/1006421284.db2.gz WSSPDGBNHQODIT-UHFFFAOYSA-N 0 1 408.502 3.907 20 5 HHBDMN O=C(CCN1CCc2c(cccc2[N+](=O)[O-])C1)Nc1ccc(Br)cc1 ZINC000534513224 1006509438 /nfs/dbraw/zinc/50/94/38/1006509438.db2.gz MJEBITZLQPJMDJ-UHFFFAOYSA-N 0 1 404.264 3.744 20 5 HHBDMN CCO[C@@H]1C[C@@H](N(C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C12CCC2 ZINC000531915847 1006517322 /nfs/dbraw/zinc/51/73/22/1006517322.db2.gz TUBQEOAHTFJBRC-IAGOWNOFSA-N 0 1 400.422 3.984 20 5 HHBDMN COc1cccc(OC(F)(F)F)c1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000515624128 1006563704 /nfs/dbraw/zinc/56/37/04/1006563704.db2.gz CSDBIZMMCAGFOQ-UONOGXRCSA-N 0 1 414.384 3.972 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]3Cn3cnc4ccccc43)n2)cc1 ZINC000534581207 1006569168 /nfs/dbraw/zinc/56/91/68/1006569168.db2.gz BEHFFMXVWSCFMS-KRWDZBQOSA-N 0 1 404.430 3.659 20 5 HHBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000538388537 1006658145 /nfs/dbraw/zinc/65/81/45/1006658145.db2.gz HUSUZATUQGHMKJ-UHFFFAOYSA-N 0 1 405.389 3.645 20 5 HHBDMN CCCCc1nc2ccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2[nH]1 ZINC000532162089 1006686283 /nfs/dbraw/zinc/68/62/83/1006686283.db2.gz ASHWDEWVCVWUSU-UHFFFAOYSA-N 0 1 409.446 3.572 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2)C[C@@H](C)O1 ZINC000515826423 1006703269 /nfs/dbraw/zinc/70/32/69/1006703269.db2.gz MWHQWSUDHKHFIG-HZPDHXFCSA-N 0 1 422.485 3.615 20 5 HHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccc3c(c2)CCS3(=O)=O)s1 ZINC000532322017 1006793668 /nfs/dbraw/zinc/79/36/68/1006793668.db2.gz OZWNJQBPCBLKFF-UHFFFAOYSA-N 0 1 414.508 3.943 20 5 HHBDMN COc1cc(CNC[C@](C)(O)C(F)(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000534828699 1006839710 /nfs/dbraw/zinc/83/97/10/1006839710.db2.gz KFPQLLWAQCWTEX-SFHVURJKSA-N 0 1 414.380 3.585 20 5 HHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000538590639 1006858148 /nfs/dbraw/zinc/85/81/48/1006858148.db2.gz NXGWYGMKACPPTQ-KRWDZBQOSA-N 0 1 409.552 3.574 20 5 HHBDMN CN1CC[C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534959603 1007006260 /nfs/dbraw/zinc/00/62/60/1007006260.db2.gz CCRFCZRUMFUHOS-VLIAUNLRSA-N 0 1 421.856 3.575 20 5 HHBDMN COCCn1ccc2ccc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)cc21 ZINC000538841507 1007114655 /nfs/dbraw/zinc/11/46/55/1007114655.db2.gz GJXZZBRHDDTIRQ-UHFFFAOYSA-N 0 1 403.460 3.614 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC(c4c[nH]c5ncccc45)CC3)o2)cc1 ZINC000532710716 1007124328 /nfs/dbraw/zinc/12/43/28/1007124328.db2.gz ZVQLIBQWDAKYHJ-UHFFFAOYSA-N 0 1 404.430 3.901 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC1 ZINC000535371289 1007432025 /nfs/dbraw/zinc/43/20/25/1007432025.db2.gz RVFKGLAKPZDADN-NRFANRHFSA-N 0 1 422.485 3.581 20 5 HHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000539219772 1007510517 /nfs/dbraw/zinc/51/05/17/1007510517.db2.gz QSHAJAYRDMHROF-NEPJUHHUSA-N 0 1 409.389 3.883 20 5 HHBDMN COc1cc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1OC ZINC000539224838 1007516990 /nfs/dbraw/zinc/51/69/90/1007516990.db2.gz IWRAHYYQGOZGCI-NSHDSACASA-N 0 1 423.853 3.563 20 5 HHBDMN CN1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000535461710 1007525126 /nfs/dbraw/zinc/52/51/26/1007525126.db2.gz AOAFYFATMSADMD-DLBZAZTESA-N 0 1 404.264 3.533 20 5 HHBDMN CCCOc1ccc([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000539254742 1007548655 /nfs/dbraw/zinc/54/86/55/1007548655.db2.gz RMUZVDZRMYLUFB-OAHLLOKOSA-N 0 1 413.474 3.632 20 5 HHBDMN COc1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000535532734 1007579481 /nfs/dbraw/zinc/57/94/81/1007579481.db2.gz KKDSFBSKAYQKKV-GOSISDBHSA-N 0 1 414.380 3.585 20 5 HHBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cc(OC)c(OC)cc2C)c([N+](=O)[O-])c1 ZINC000539297309 1007594795 /nfs/dbraw/zinc/59/47/95/1007594795.db2.gz QQGIURULZNLFCT-KBPBESRZSA-N 0 1 417.462 3.607 20 5 HHBDMN CN(C)C1CN(C(=O)C/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 ZINC000539319217 1007618041 /nfs/dbraw/zinc/61/80/41/1007618041.db2.gz SKXGKLDDRBVSGT-LFIBNONCSA-N 0 1 422.510 3.908 20 5 HHBDMN COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc2[nH]ccc21 ZINC000517425558 1007648413 /nfs/dbraw/zinc/64/84/13/1007648413.db2.gz YRKVRDYMBGMSSS-UHFFFAOYSA-N 0 1 423.834 3.625 20 5 HHBDMN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000517894730 1008042367 /nfs/dbraw/zinc/04/23/67/1008042367.db2.gz PEQYYGVYSQVXKB-IBGZPJMESA-N 0 1 402.882 3.613 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]3Cn3cnc4ccccc43)n2)c1 ZINC000536068274 1008096667 /nfs/dbraw/zinc/09/66/67/1008096667.db2.gz YYWDSFNWOLVIKL-KRWDZBQOSA-N 0 1 404.430 3.659 20 5 HHBDMN COc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OCC(C)C ZINC000539836316 1008129416 /nfs/dbraw/zinc/12/94/16/1008129416.db2.gz VALNUZIVLLMIFR-KRWDZBQOSA-N 0 1 400.479 3.720 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000540143670 1008310435 /nfs/dbraw/zinc/31/04/35/1008310435.db2.gz HCHCNKYZBRNGAF-LKNMKHRSSA-N 0 1 419.428 3.894 20 5 HHBDMN CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000540175725 1008323127 /nfs/dbraw/zinc/32/31/27/1008323127.db2.gz WJFRJLZUGIBPPQ-MRXNPFEDSA-N 0 1 405.520 3.785 20 5 HHBDMN O=C(Cc1cccs1)Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000518602669 1008361624 /nfs/dbraw/zinc/36/16/24/1008361624.db2.gz GWFZOIKFHDTRTP-UHFFFAOYSA-N 0 1 417.468 3.638 20 5 HHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@@H]2CN3CCC[C@@]3(C)CO2)no1 ZINC000518615302 1008366181 /nfs/dbraw/zinc/36/61/81/1008366181.db2.gz FEISBPMUTLNQFP-YOEHRIQHSA-N 0 1 423.267 3.642 20 5 HHBDMN COc1ccc(S(=O)(=O)[N-]c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000540335496 1008385864 /nfs/dbraw/zinc/38/58/64/1008385864.db2.gz GBPLJCCKGCKNAH-OAHLLOKOSA-N 0 1 419.503 3.636 20 5 HHBDMN COc1ccc(S(=O)(=O)[N-]c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000540335496 1008385868 /nfs/dbraw/zinc/38/58/68/1008385868.db2.gz GBPLJCCKGCKNAH-OAHLLOKOSA-N 0 1 419.503 3.636 20 5 HHBDMN CCCOc1ccc([C@@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1OC ZINC000540353251 1008395304 /nfs/dbraw/zinc/39/53/04/1008395304.db2.gz WZMNSKAVQOLCJR-OAHLLOKOSA-N 0 1 413.474 3.632 20 5 HHBDMN COc1cc(F)c([C@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000540388455 1008412085 /nfs/dbraw/zinc/41/20/85/1008412085.db2.gz QCADUTFSAKKEDZ-ZDUSSCGKSA-N 0 1 405.426 3.739 20 5 HHBDMN C[C@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000542968786 1008542511 /nfs/dbraw/zinc/54/25/11/1008542511.db2.gz CHPNVKKJQSUHOJ-SOZNTENNSA-N 0 1 409.895 3.663 20 5 HHBDMN Cc1cc(C2CCN(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)CC2)n[nH]1 ZINC000545447306 1008559886 /nfs/dbraw/zinc/55/98/86/1008559886.db2.gz LJHILGSKJOUYDE-UHFFFAOYSA-N 0 1 422.489 3.508 20 5 HHBDMN O=[N+]([O-])c1ccc(Cc2noc(-c3cc(-c4ccco4)n[nH]3)n2)c(Br)c1 ZINC000545743189 1008832484 /nfs/dbraw/zinc/83/24/84/1008832484.db2.gz OFPQFVKUNVTXEO-UHFFFAOYSA-N 0 1 416.191 3.981 20 5 HHBDMN CCc1ccc([C@@H](NCCCNC(=O)c2cccc(O)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543401878 1008994223 /nfs/dbraw/zinc/99/42/23/1008994223.db2.gz XBMKETDYDHQPFC-QFIPXVFZSA-N 0 1 423.469 3.955 20 5 HHBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c(Cl)c1 ZINC000543415020 1009007721 /nfs/dbraw/zinc/00/77/21/1009007721.db2.gz WEBGCEILTJVBJP-HNNXBMFYSA-N 0 1 401.829 3.750 20 5 HHBDMN Cc1c(Br)c(NC2CCN(Cc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000543449437 1009034865 /nfs/dbraw/zinc/03/48/65/1009034865.db2.gz LRRZZPKIVSVOES-UHFFFAOYSA-N 0 1 406.284 3.532 20 5 HHBDMN COC(=O)C[C@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCCC1 ZINC000543461315 1009048328 /nfs/dbraw/zinc/04/83/28/1009048328.db2.gz YPRDQWGIRRKANA-GUYCJALGSA-N 0 1 402.451 3.807 20 5 HHBDMN O=C(c1cc2sccc2s1)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549471853 1009067540 /nfs/dbraw/zinc/06/75/40/1009067540.db2.gz OXGUXSZXCGCISC-UHFFFAOYSA-N 0 1 403.485 3.535 20 5 HHBDMN CCc1c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH]nc1-c1ccncc1 ZINC000519998858 1009149744 /nfs/dbraw/zinc/14/97/44/1009149744.db2.gz QJNHDRYJIQKGAQ-UHFFFAOYSA-N 0 1 420.473 3.797 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Sc2nccn2C)cc1 ZINC000520038113 1009197451 /nfs/dbraw/zinc/19/74/51/1009197451.db2.gz FXHSPSRXLBADJH-UHFFFAOYSA-N 0 1 418.500 3.843 20 5 HHBDMN CC(C)c1cccc2c1OCCC[C@@H]2NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543595048 1009199758 /nfs/dbraw/zinc/19/97/58/1009199758.db2.gz RJSQFUIINVWTMJ-FQEVSTJZSA-N 0 1 418.515 3.995 20 5 HHBDMN CC(C)c1cccc2c1OCCC[C@H]2NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543595058 1009199942 /nfs/dbraw/zinc/19/99/42/1009199942.db2.gz RJSQFUIINVWTMJ-HXUWFJFHSA-N 0 1 418.515 3.995 20 5 HHBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000520155245 1009305221 /nfs/dbraw/zinc/30/52/21/1009305221.db2.gz YOLQXTIKIZAOKT-SNVBAGLBSA-N 0 1 422.356 3.715 20 5 HHBDMN Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4cc(O)ccc4[N+](=O)[O-])CC3)n2)cc1 ZINC000549770680 1009383869 /nfs/dbraw/zinc/38/38/69/1009383869.db2.gz XLEIFKPXQGFTQT-INIZCTEOSA-N 0 1 423.473 3.538 20 5 HHBDMN CCN1CCN(c2ccc(-c3noc(-c4cc(Cl)cc([N+](=O)[O-])c4)n3)cn2)CC1 ZINC000546399194 1009412181 /nfs/dbraw/zinc/41/21/81/1009412181.db2.gz HAPQDVLEXRQWDY-UHFFFAOYSA-N 0 1 414.853 3.502 20 5 HHBDMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000549902250 1009522816 /nfs/dbraw/zinc/52/28/16/1009522816.db2.gz POBZLOMAKRPMBZ-LBPRGKRZSA-N 0 1 417.828 3.862 20 5 HHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000544241583 1009851562 /nfs/dbraw/zinc/85/15/62/1009851562.db2.gz OPKBFLPMIUTYJV-GFCCVEGCSA-N 0 1 421.910 3.742 20 5 HHBDMN Cc1sc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc1-c1ccc(Cl)cc1 ZINC000544471619 1010095348 /nfs/dbraw/zinc/09/53/48/1010095348.db2.gz XAGFWMMNQYTBCN-ZBEGNZNMSA-N 0 1 421.910 3.588 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccccc1OCc1ccccc1 ZINC000521155434 1010182461 /nfs/dbraw/zinc/18/24/61/1010182461.db2.gz ZMIGQYWLEGUHOW-UHFFFAOYSA-N 0 1 416.430 3.791 20 5 HHBDMN COc1ccc(CN[C@@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000544575392 1010204311 /nfs/dbraw/zinc/20/43/11/1010204311.db2.gz GWZONNFNEQMBLE-WIYYLYMNSA-N 0 1 418.515 3.787 20 5 HHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000544836163 1010426762 /nfs/dbraw/zinc/42/67/62/1010426762.db2.gz KDARRMDDLFJOON-INIZCTEOSA-N 0 1 406.851 3.650 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)N2CCN(C3CCC(C)CC3)CC2)cc1SC ZINC000522348249 1010946601 /nfs/dbraw/zinc/94/66/01/1010946601.db2.gz CUWDSPICAWIWJF-UHFFFAOYSA-N 0 1 407.536 3.662 20 5 HHBDMN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000540851237 1011517122 /nfs/dbraw/zinc/51/71/22/1011517122.db2.gz NMAORWXNHDBJFV-HNNXBMFYSA-N 0 1 416.441 3.881 20 5 HHBDMN CNC(=O)c1ccc(N2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000540863237 1011535505 /nfs/dbraw/zinc/53/55/05/1011535505.db2.gz MJUYUNPRVBLCKC-MRXNPFEDSA-N 0 1 412.494 3.504 20 5 HHBDMN CNC(=O)c1ccc(N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c([N+](=O)[O-])c1 ZINC000540863237 1011535517 /nfs/dbraw/zinc/53/55/17/1011535517.db2.gz MJUYUNPRVBLCKC-MRXNPFEDSA-N 0 1 412.494 3.504 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc5c(cc4[N+](=O)[O-])OCO5)C3)[nH]c2c1 ZINC000536456281 1011674473 /nfs/dbraw/zinc/67/44/73/1011674473.db2.gz YEMXJXULKLVRRD-ZDUSSCGKSA-N 0 1 408.414 3.528 20 5 HHBDMN COc1ccc(NC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cc1[N+](=O)[O-] ZINC000541107680 1011754084 /nfs/dbraw/zinc/75/40/84/1011754084.db2.gz UEAJEZAMLQJWJE-UHFFFAOYSA-N 0 1 422.445 3.800 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000541281147 1011974250 /nfs/dbraw/zinc/97/42/50/1011974250.db2.gz DMSNZAGYZROXDY-KRWDZBQOSA-N 0 1 411.433 3.744 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C ZINC000541306099 1012011586 /nfs/dbraw/zinc/01/15/86/1012011586.db2.gz GDORJYZSCKMSAR-UHFFFAOYSA-N 0 1 414.443 3.940 20 5 HHBDMN Cn1ccnc1[C@@H](NCCc1cn(C)c2cc(F)ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000552067142 1012084805 /nfs/dbraw/zinc/08/48/05/1012084805.db2.gz ACTSLAAPTIYNQY-NRFANRHFSA-N 0 1 407.449 3.881 20 5 HHBDMN CN(C)[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000541396027 1012121310 /nfs/dbraw/zinc/12/13/10/1012121310.db2.gz HFFXEJWDUJLZNE-MRXNPFEDSA-N 0 1 411.886 3.899 20 5 HHBDMN Cc1[nH]nc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2cccs2)c1[N+](=O)[O-] ZINC000523683641 1012284604 /nfs/dbraw/zinc/28/46/04/1012284604.db2.gz KFLKYQKQGWTSEC-UHFFFAOYSA-N 0 1 422.470 3.813 20 5 HHBDMN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1NC(=O)c1ccco1 ZINC000523728618 1012343934 /nfs/dbraw/zinc/34/39/34/1012343934.db2.gz HJLQURDIWSSWLY-UHFFFAOYSA-N 0 1 415.427 3.858 20 5 HHBDMN COc1cc(S(=O)(=O)[N-]c2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000537030597 1012344518 /nfs/dbraw/zinc/34/45/18/1012344518.db2.gz XVUFWPFYCYYXNS-HNNXBMFYSA-N 0 1 419.503 3.779 20 5 HHBDMN COc1cc(S(=O)(=O)[N-]c2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000537030597 1012344523 /nfs/dbraw/zinc/34/45/23/1012344523.db2.gz XVUFWPFYCYYXNS-HNNXBMFYSA-N 0 1 419.503 3.779 20 5 HHBDMN COc1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)c([N+](=O)[O-])c1 ZINC000552441735 1012461167 /nfs/dbraw/zinc/46/11/67/1012461167.db2.gz VDDGQQGPOOLRTF-MRXNPFEDSA-N 0 1 405.401 3.699 20 5 HHBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000537136767 1012526432 /nfs/dbraw/zinc/52/64/32/1012526432.db2.gz YLYFZZJWLNIYLI-UHFFFAOYSA-N 0 1 414.531 3.885 20 5 HHBDMN Cc1cc(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000537177286 1012586125 /nfs/dbraw/zinc/58/61/25/1012586125.db2.gz XQVNNDFLJXZOKM-OAHLLOKOSA-N 0 1 411.437 3.826 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000541827448 1012714954 /nfs/dbraw/zinc/71/49/54/1012714954.db2.gz UKUSFPLNOSZRIJ-KRWDZBQOSA-N 0 1 414.487 3.922 20 5 HHBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000524143567 1012929182 /nfs/dbraw/zinc/92/91/82/1012929182.db2.gz COWJTSABIMRBRA-OAHLLOKOSA-N 0 1 424.320 3.986 20 5 HHBDMN CC[C@H](Cc1ccccc1Br)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001127064320 1072245519 /nfs/dbraw/zinc/24/55/19/1072245519.db2.gz ITSHUGCCYZXWGN-GFCCVEGCSA-N 0 1 417.263 3.985 20 5 HHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)ccc1Br ZINC000760345659 1072260820 /nfs/dbraw/zinc/26/08/20/1072260820.db2.gz YBMFYEAXNDBGTG-UHFFFAOYSA-N 0 1 423.248 3.548 20 5 HHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)ccc1Br ZINC000760343217 1072266617 /nfs/dbraw/zinc/26/66/17/1072266617.db2.gz FIHUAICGKWTXRP-UHFFFAOYSA-N 0 1 424.232 3.813 20 5 HHBDMN CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760656899 1072523325 /nfs/dbraw/zinc/52/33/25/1072523325.db2.gz NTWGZCNPTUMWOU-SFHVURJKSA-N 0 1 412.446 3.548 20 5 HHBDMN CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000760656899 1072523335 /nfs/dbraw/zinc/52/33/35/1072523335.db2.gz NTWGZCNPTUMWOU-SFHVURJKSA-N 0 1 412.446 3.548 20 5 HHBDMN CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000760656891 1072523407 /nfs/dbraw/zinc/52/34/07/1072523407.db2.gz NTWGZCNPTUMWOU-GOSISDBHSA-N 0 1 412.446 3.548 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)[nH]c2c1 ZINC000554852403 1072901739 /nfs/dbraw/zinc/90/17/39/1072901739.db2.gz YITUGGWMNYHBIJ-IBGZPJMESA-N 0 1 405.458 3.506 20 5 HHBDMN Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(c3ccccc3C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000615165549 1074079302 /nfs/dbraw/zinc/07/93/02/1074079302.db2.gz JATXCOBHDGCUGZ-OAHLLOKOSA-N 0 1 411.458 3.808 20 5 HHBDMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000567950898 1074083244 /nfs/dbraw/zinc/08/32/44/1074083244.db2.gz DKPOSZXPBVOWDW-UHFFFAOYSA-N 0 1 409.446 3.609 20 5 HHBDMN COc1cc(C)nc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c1[N+](=O)[O-] ZINC001164694378 719808120 /nfs/dbraw/zinc/80/81/20/719808120.db2.gz WLWSSQWQTMXPPR-UHFFFAOYSA-N 0 1 417.535 3.707 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)nc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1 ZINC001164704909 719886761 /nfs/dbraw/zinc/88/67/61/719886761.db2.gz XFBAZMGNVFWNMB-UHFFFAOYSA-N 0 1 408.911 3.576 20 5 HHBDMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001165023472 721838241 /nfs/dbraw/zinc/83/82/41/721838241.db2.gz ZAFKGWUQUAXGQD-UHFFFAOYSA-N 0 1 420.897 3.761 20 5 HHBDMN O=[N+]([O-])c1ccc2ncc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nc2c1 ZINC001164992864 722194595 /nfs/dbraw/zinc/19/45/95/722194595.db2.gz BKKWPRHCFXDWRU-QFIPXVFZSA-N 0 1 407.449 3.922 20 5 HHBDMN C[C@H]1CCCN(C(C)(C)CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301273104 970843585 /nfs/dbraw/zinc/84/35/85/970843585.db2.gz RKLAYVQAVZUNKS-LBPRGKRZSA-N 0 1 405.467 3.514 20 5 HHBDMN O=[N+]([O-])c1ccccc1CNc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1 ZINC000301545380 970973275 /nfs/dbraw/zinc/97/32/75/970973275.db2.gz WNMZDZLTMMEFFZ-UHFFFAOYSA-N 0 1 420.397 3.681 20 5 HHBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301898846 971105148 /nfs/dbraw/zinc/10/51/48/971105148.db2.gz XGNZYCDDRDPKII-DJJJIMSYSA-N 0 1 420.872 3.852 20 5 HHBDMN CCc1nn(C)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301913360 971112543 /nfs/dbraw/zinc/11/25/43/971112543.db2.gz DZWHRDQMOMJGIS-UHFFFAOYSA-N 0 1 405.502 3.802 20 5 HHBDMN CCOC(=O)c1ccnc(N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1[N+](=O)[O-] ZINC000302061379 971166121 /nfs/dbraw/zinc/16/61/21/971166121.db2.gz TUGRNEQJGVORGU-CQSZACIVSA-N 0 1 409.446 3.735 20 5 HHBDMN Cc1cc(NCc2ccc(N3CCCS3(=O)=O)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302133131 971183544 /nfs/dbraw/zinc/18/35/44/971183544.db2.gz CEITXYYJXQSHQS-UHFFFAOYSA-N 0 1 412.471 3.603 20 5 HHBDMN CCCc1n[nH]c(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000303373901 971667642 /nfs/dbraw/zinc/66/76/42/971667642.db2.gz MEWUOWCQDIBOOR-UHFFFAOYSA-N 0 1 419.913 3.566 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000537658746 1013218716 /nfs/dbraw/zinc/21/87/16/1013218716.db2.gz ADDLWOITRZMVMT-UHFFFAOYSA-N 0 1 416.474 3.620 20 5 HHBDMN COc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(C)cc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000007455846 961198312 /nfs/dbraw/zinc/19/83/12/961198312.db2.gz KIRHCAHHXBVUIY-LBPRGKRZSA-N 0 1 413.459 3.816 20 5 HHBDMN O=C(CNC1(c2ccc(F)cc2)CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000553284365 1013241979 /nfs/dbraw/zinc/24/19/79/1013241979.db2.gz UAXZZQLWXJRPIJ-UHFFFAOYSA-N 0 1 407.829 3.621 20 5 HHBDMN CC(=O)c1cc(NCCCCN2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000553299678 1013256579 /nfs/dbraw/zinc/25/65/79/1013256579.db2.gz PJQOIZWHABYHAB-UHFFFAOYSA-N 0 1 410.518 3.807 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2F)n[nH]1 ZINC000009801166 961686985 /nfs/dbraw/zinc/68/69/85/961686985.db2.gz BZJXGFVVWZUQGL-JTQLQIEISA-N 0 1 417.422 3.647 20 5 HHBDMN O=C(CN1CCC(c2c[nH]c3ccccc32)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000010225276 961769686 /nfs/dbraw/zinc/76/96/86/961769686.db2.gz SEXCWBALLVDUCU-UHFFFAOYSA-N 0 1 404.470 3.845 20 5 HHBDMN Cc1ccc2nc(SCC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)[nH]c2c1 ZINC000010789446 961914465 /nfs/dbraw/zinc/91/44/65/961914465.db2.gz SJABOJBPCKEYIB-UHFFFAOYSA-N 0 1 414.443 3.672 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCCC1 ZINC000014515014 962519110 /nfs/dbraw/zinc/51/91/10/962519110.db2.gz WUKLBZGJOWUREZ-SFHVURJKSA-N 0 1 403.866 3.824 20 5 HHBDMN COc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3F)n[nH]2)c([N+](=O)[O-])c1 ZINC000016904566 963128960 /nfs/dbraw/zinc/12/89/60/963128960.db2.gz UNPOKPCCFQDXSW-SNVBAGLBSA-N 0 1 417.422 3.647 20 5 HHBDMN N=C1Nc2nc3ccccc3n2[C@@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000018053565 963256957 /nfs/dbraw/zinc/25/69/57/963256957.db2.gz UJVREJQNQBGNAL-IBGZPJMESA-N 0 1 418.388 3.972 20 5 HHBDMN Cc1sc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000542479019 1013427781 /nfs/dbraw/zinc/42/77/81/1013427781.db2.gz MRTMEVQZAGJGCX-ZDUSSCGKSA-N 0 1 411.365 3.621 20 5 HHBDMN CCc1ccc([C@H](NC2CCC(S(C)(=O)=O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542496114 1013442039 /nfs/dbraw/zinc/44/20/39/1013442039.db2.gz HTIRFLMVIBAOHP-PKUWUEBNSA-N 0 1 406.504 3.785 20 5 HHBDMN C[C@H]1CCCN(c2ccc(C(=O)NC[C@H](c3cccs3)N(C)C)cc2[N+](=O)[O-])C1 ZINC000023710651 963879878 /nfs/dbraw/zinc/87/98/78/963879878.db2.gz XMHLQZHBZQQXDZ-HNAYVOBHSA-N 0 1 416.547 3.925 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC1 ZINC000023985216 963915388 /nfs/dbraw/zinc/91/53/88/963915388.db2.gz XXPFERXEROKIET-SFHVURJKSA-N 0 1 403.866 3.824 20 5 HHBDMN CN1CCN(Cc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)CC1 ZINC000049733572 964202611 /nfs/dbraw/zinc/20/26/11/964202611.db2.gz OGOLNEGCXYPLBZ-UHFFFAOYSA-N 0 1 410.499 3.809 20 5 HHBDMN CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000050173305 964281572 /nfs/dbraw/zinc/28/15/72/964281572.db2.gz PDEKCDZLTJVHCJ-UHFFFAOYSA-N 0 1 418.457 3.576 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133747 964470953 /nfs/dbraw/zinc/47/09/53/964470953.db2.gz UYYWZOHZFSLJDK-HTAPYJJXSA-N 0 1 413.474 3.642 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](c1ccccc1)c1ccccn1 ZINC000026230765 964495865 /nfs/dbraw/zinc/49/58/65/964495865.db2.gz WIACKUYMDMOPLJ-JOCHJYFZSA-N 0 1 406.442 3.706 20 5 HHBDMN COc1ccc(NC(=O)[C@H](NCCNc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000028622971 965140202 /nfs/dbraw/zinc/14/02/02/965140202.db2.gz FJPXGQNGRFWQMB-JOCHJYFZSA-N 0 1 420.469 3.985 20 5 HHBDMN Cc1cc(OCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000053542071 965209773 /nfs/dbraw/zinc/20/97/73/965209773.db2.gz LSQHMZDIJKBBOJ-UHFFFAOYSA-N 0 1 417.893 3.716 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542626820 1013562950 /nfs/dbraw/zinc/56/29/50/1013562950.db2.gz MCLCFGMICNXPPG-MJGOQNOKSA-N 0 1 401.438 3.833 20 5 HHBDMN C[C@@H](C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000542652043 1013582561 /nfs/dbraw/zinc/58/25/61/1013582561.db2.gz UIXBBIZMAITQTI-FZKQIMNGSA-N 0 1 409.421 3.986 20 5 HHBDMN C[C@@H](C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000542652043 1013582564 /nfs/dbraw/zinc/58/25/64/1013582564.db2.gz UIXBBIZMAITQTI-FZKQIMNGSA-N 0 1 409.421 3.986 20 5 HHBDMN CN(C)CCN(Cc1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000054886845 965681909 /nfs/dbraw/zinc/68/19/09/965681909.db2.gz WYFYJVXOJZYWFH-UHFFFAOYSA-N 0 1 413.521 3.745 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)N2CCCC2)cc1 ZINC000058841484 965925925 /nfs/dbraw/zinc/92/59/25/965925925.db2.gz PVYAOLKSGYENHM-HXUWFJFHSA-N 0 1 408.458 3.652 20 5 HHBDMN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000055648234 965992378 /nfs/dbraw/zinc/99/23/78/965992378.db2.gz KVAKLOWJFQCGCK-UHFFFAOYSA-N 0 1 405.476 3.622 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000055752092 966048139 /nfs/dbraw/zinc/04/81/39/966048139.db2.gz MQPYITZVBTUXSC-LJQANCHMSA-N 0 1 413.474 3.569 20 5 HHBDMN O=C(NCc1ccc(COc2ccccc2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000032304608 966216579 /nfs/dbraw/zinc/21/65/79/966216579.db2.gz XSAPFKGUQKNLFK-UHFFFAOYSA-N 0 1 402.410 3.980 20 5 HHBDMN COc1cc(C)c([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000056153852 966237135 /nfs/dbraw/zinc/23/71/35/966237135.db2.gz KGWHGYCQAWNJIM-LSDHHAIUSA-N 0 1 401.463 3.907 20 5 HHBDMN COc1cc(C)c([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000056153851 966237343 /nfs/dbraw/zinc/23/73/43/966237343.db2.gz KGWHGYCQAWNJIM-HUUCEWRRSA-N 0 1 401.463 3.907 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Sc2nccn2C)cc1 ZINC000032589486 966288476 /nfs/dbraw/zinc/28/84/76/966288476.db2.gz SZZKVSZVTCADSX-UHFFFAOYSA-N 0 1 404.473 3.589 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])[nH]c2c1 ZINC000060919639 966326964 /nfs/dbraw/zinc/32/69/64/966326964.db2.gz PYKLSNVVWNILFE-KRWDZBQOSA-N 0 1 400.460 3.614 20 5 HHBDMN Cc1c(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000041886153 966660357 /nfs/dbraw/zinc/66/03/57/966660357.db2.gz GXEYXSGKWQKIPV-RMKNXTFCSA-N 0 1 408.502 3.563 20 5 HHBDMN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cc(Br)ccc1F ZINC000063742410 966944869 /nfs/dbraw/zinc/94/48/69/966944869.db2.gz CFRLJTNIALYKKC-UHFFFAOYSA-N 0 1 410.243 3.957 20 5 HHBDMN Cc1c(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000043347157 966956811 /nfs/dbraw/zinc/95/68/11/966956811.db2.gz QZQQIHAHIIQFBY-HZPDHXFCSA-N 0 1 412.490 3.834 20 5 HHBDMN Cn1cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064692315 967270875 /nfs/dbraw/zinc/27/08/75/967270875.db2.gz CABSMYYOMSGLIL-IBGZPJMESA-N 0 1 423.473 3.545 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000538153138 1013713842 /nfs/dbraw/zinc/71/38/42/1013713842.db2.gz MZJXAZFEHIXWPB-CQSZACIVSA-N 0 1 417.462 3.689 20 5 HHBDMN O=C(NC1CCN(Cc2ccccn2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065109988 967381834 /nfs/dbraw/zinc/38/18/34/967381834.db2.gz QRJPGTKRFNVAOO-UHFFFAOYSA-N 0 1 423.498 3.508 20 5 HHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](Cn3ccnn3)C2)cc1OC ZINC000542915239 1013755093 /nfs/dbraw/zinc/75/50/93/1013755093.db2.gz KXIBDCWNRUQQPR-SJORKVTESA-N 0 1 417.510 3.532 20 5 HHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](Cn3ccnn3)C2)cc1OC ZINC000542915237 1013755269 /nfs/dbraw/zinc/75/52/69/1013755269.db2.gz KXIBDCWNRUQQPR-IRXDYDNUSA-N 0 1 417.510 3.532 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)N2CCCC2)c1 ZINC000048297769 968515527 /nfs/dbraw/zinc/51/55/27/968515527.db2.gz AETKXTJNNKWDQE-HXUWFJFHSA-N 0 1 408.458 3.652 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000069435163 968832976 /nfs/dbraw/zinc/83/29/76/968832976.db2.gz SKMLINCMONNYST-UHFFFAOYSA-N 0 1 423.517 3.589 20 5 HHBDMN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NO[C@@H]1CCCCO1 ZINC000072059962 968966197 /nfs/dbraw/zinc/96/61/97/968966197.db2.gz DNCBEMAQDIPLMW-OAQYLSRUSA-N 0 1 422.441 3.564 20 5 HHBDMN COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)N(C)C ZINC000108313456 969373281 /nfs/dbraw/zinc/37/32/81/969373281.db2.gz KBWDIGSTDWSDHQ-FQEVSTJZSA-N 0 1 412.490 3.554 20 5 HHBDMN Cc1c(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000109886365 969586439 /nfs/dbraw/zinc/58/64/39/969586439.db2.gz JPEGHOGVHQAIQY-UHFFFAOYSA-N 0 1 417.429 3.880 20 5 HHBDMN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CCSCC2)c1 ZINC000116177900 969878723 /nfs/dbraw/zinc/87/87/23/969878723.db2.gz XYNIZEGFHGHXEY-UHFFFAOYSA-N 0 1 401.488 3.551 20 5 HHBDMN Cc1cc(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000195662402 969940401 /nfs/dbraw/zinc/94/04/01/969940401.db2.gz RXLLWZXUERRXFO-CALCHBBNSA-N 0 1 412.490 3.834 20 5 HHBDMN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CCSCC2)c1 ZINC000138616405 970005172 /nfs/dbraw/zinc/00/51/72/970005172.db2.gz VQXQIWCFDNKUCU-UHFFFAOYSA-N 0 1 400.504 3.584 20 5 HHBDMN CCS(=O)(=O)C[C@@H](C)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237006490 970205763 /nfs/dbraw/zinc/20/57/63/970205763.db2.gz FGUGWWXFWBPVOX-CYBMUJFWSA-N 0 1 412.895 3.953 20 5 HHBDMN COc1ccc(-c2ccc(CNC[C@H](O)COc3ccc(F)cc3)o2)c([N+](=O)[O-])c1 ZINC000237430021 970284627 /nfs/dbraw/zinc/28/46/27/970284627.db2.gz JXWUMPHIGPCSBI-HNNXBMFYSA-N 0 1 416.405 3.532 20 5 HHBDMN COc1ccc(-c2ccc(CN[C@H](Cc3ccccc3)C(=O)N(C)C)o2)c([N+](=O)[O-])c1 ZINC000237440379 970289512 /nfs/dbraw/zinc/28/95/12/970289512.db2.gz VMJQVXVHQLYHJD-HXUWFJFHSA-N 0 1 423.469 3.653 20 5 HHBDMN Cc1ccc(CN[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cc1[N+](=O)[O-] ZINC000237806210 970371167 /nfs/dbraw/zinc/37/11/67/970371167.db2.gz PXSBDFZXZRJVDF-INIZCTEOSA-N 0 1 409.364 3.697 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCCS(=O)(=O)c3ccccc3)s2)cc1 ZINC000237989173 970412501 /nfs/dbraw/zinc/41/25/01/970412501.db2.gz BTMLWGRIJSVYPR-UHFFFAOYSA-N 0 1 402.497 3.887 20 5 HHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000261430503 970675941 /nfs/dbraw/zinc/67/59/41/970675941.db2.gz JWZDVZNJUWJEKB-JXMROGBWSA-N 0 1 423.454 3.974 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000324408923 972722408 /nfs/dbraw/zinc/72/24/08/972722408.db2.gz QCMRAYQJPZPZEQ-UHFFFAOYSA-N 0 1 403.229 3.860 20 5 HHBDMN CN(C)Cc1cc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000426480468 974477020 /nfs/dbraw/zinc/47/70/20/974477020.db2.gz AEEWDFIFNDDMLT-UHFFFAOYSA-N 0 1 400.454 3.670 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H](CO)CC(F)F)o2)c(Br)c1 ZINC000428648168 975948998 /nfs/dbraw/zinc/94/89/98/975948998.db2.gz JELKJVLOMARPCL-SECBINFHSA-N 0 1 405.195 3.723 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429253038 976541221 /nfs/dbraw/zinc/54/12/21/976541221.db2.gz JMXLOFJAAZSAOK-INIZCTEOSA-N 0 1 400.454 3.582 20 5 HHBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431770910 978499471 /nfs/dbraw/zinc/49/94/71/978499471.db2.gz UOMNSRJSYXNJFE-OAHLLOKOSA-N 0 1 424.320 3.986 20 5 HHBDMN COCCS(=O)(=O)c1ccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433085590 979065813 /nfs/dbraw/zinc/06/58/13/979065813.db2.gz WTGZNUQCNMVYCU-HXUWFJFHSA-N 0 1 418.515 3.527 20 5 HHBDMN COCCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433194773 979133930 /nfs/dbraw/zinc/13/39/30/979133930.db2.gz OYWRIKDVYNQQRG-CYBMUJFWSA-N 0 1 406.451 3.549 20 5 HHBDMN CC1(C)C[C@@H](Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433236102 979168053 /nfs/dbraw/zinc/16/80/53/979168053.db2.gz XARYVNHAXDIVBQ-NHCUHLMSSA-N 0 1 408.502 3.879 20 5 HHBDMN CC(C)c1n[nH]c(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1[N+](=O)[O-] ZINC000433846711 979622521 /nfs/dbraw/zinc/62/25/21/979622521.db2.gz ANRBBCLJKZEMMD-GOSISDBHSA-N 0 1 404.430 3.837 20 5 HHBDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433985063 979735069 /nfs/dbraw/zinc/73/50/69/979735069.db2.gz UDUOWJSGZPIQHE-UHFFFAOYSA-N 0 1 410.478 3.824 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1[N+](=O)[O-] ZINC000434181049 979946656 /nfs/dbraw/zinc/94/66/56/979946656.db2.gz DDLGTYAAGRJZNP-CQSZACIVSA-N 0 1 410.434 3.859 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc(Sc3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000435139935 980671587 /nfs/dbraw/zinc/67/15/87/980671587.db2.gz YKZGXCGLUJJNFU-UHFFFAOYSA-N 0 1 417.468 3.950 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000435197186 980715182 /nfs/dbraw/zinc/71/51/82/980715182.db2.gz IDOWYFPJWLNPFJ-UHFFFAOYSA-N 0 1 400.460 3.780 20 5 HHBDMN Cc1c(NC(=O)N2CCC(c3cnc[nH]3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435324346 980783181 /nfs/dbraw/zinc/78/31/81/980783181.db2.gz VSUPDUUAQZJGMV-UHFFFAOYSA-N 0 1 408.256 3.800 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1[N+](=O)[O-] ZINC000435748101 981014309 /nfs/dbraw/zinc/01/43/09/981014309.db2.gz MTHYGHNLYRWIQP-SECBINFHSA-N 0 1 417.413 3.766 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 ZINC000435815101 981042681 /nfs/dbraw/zinc/04/26/81/981042681.db2.gz ASOWCMBKIZPIST-HXUWFJFHSA-N 0 1 421.447 3.992 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)Cc1ccccc1 ZINC000435826695 981048589 /nfs/dbraw/zinc/04/85/89/981048589.db2.gz MWXNLEDSMIEXGW-QGZVFWFLSA-N 0 1 417.484 3.723 20 5 HHBDMN C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@H](C)C1 ZINC000436113460 981206483 /nfs/dbraw/zinc/20/64/83/981206483.db2.gz YYFXHKKLVPRHMF-UONOGXRCSA-N 0 1 413.468 3.810 20 5 HHBDMN COc1cc(-c2nnc(SCc3cc(O)ccc3[N+](=O)[O-])o2)cc(OC)c1OC ZINC000436477545 981393876 /nfs/dbraw/zinc/39/38/76/981393876.db2.gz YLSZWQGWRZYGPZ-UHFFFAOYSA-N 0 1 419.415 3.669 20 5 HHBDMN CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000436985888 981668375 /nfs/dbraw/zinc/66/83/75/981668375.db2.gz DIXPJPJTQZPNJG-QFBILLFUSA-N 0 1 405.401 3.532 20 5 HHBDMN CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000436985888 981668381 /nfs/dbraw/zinc/66/83/81/981668381.db2.gz DIXPJPJTQZPNJG-QFBILLFUSA-N 0 1 405.401 3.532 20 5 HHBDMN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1NCc1ncn(Cc2cccc(F)c2)n1 ZINC000437103687 981762640 /nfs/dbraw/zinc/76/26/40/981762640.db2.gz ATCUXEGJZBTXQU-YLJYHZDGSA-N 0 1 409.465 3.875 20 5 HHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437167253 981819646 /nfs/dbraw/zinc/81/96/46/981819646.db2.gz VUALDNJJZPTLEM-UHFFFAOYSA-N 0 1 422.407 3.926 20 5 HHBDMN C[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCN1Cc1ccccc1 ZINC000437468287 982098511 /nfs/dbraw/zinc/09/85/11/982098511.db2.gz OJKPYDFDAQNBOF-GOSISDBHSA-N 0 1 419.485 3.517 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccnc1-c1ccc(C)s1 ZINC000437656510 982273789 /nfs/dbraw/zinc/27/37/89/982273789.db2.gz REHMGFLOTAFFIQ-UHFFFAOYSA-N 0 1 405.457 3.836 20 5 HHBDMN CCC1(CNC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CCC1 ZINC000438508827 982848449 /nfs/dbraw/zinc/84/84/49/982848449.db2.gz DUUFARWTGKEBJM-UHFFFAOYSA-N 0 1 417.487 3.706 20 5 HHBDMN Cc1c(CC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000438896751 983141792 /nfs/dbraw/zinc/14/17/92/983141792.db2.gz BTMVQEIMXRYYEY-UHFFFAOYSA-N 0 1 401.894 3.880 20 5 HHBDMN CC(C)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000439119361 983258767 /nfs/dbraw/zinc/25/87/67/983258767.db2.gz ZCEKPCDCQOUSOE-UHFFFAOYSA-N 0 1 424.501 3.748 20 5 HHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(F)c(Br)c1 ZINC000439193313 983302647 /nfs/dbraw/zinc/30/26/47/983302647.db2.gz QWSZVLVHIXBAMK-UHFFFAOYSA-N 0 1 406.171 3.534 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nncn2C(C)C)cc1[N+](=O)[O-] ZINC000439885505 983569917 /nfs/dbraw/zinc/56/99/17/983569917.db2.gz ZGJQRGIUVIQDIQ-UHFFFAOYSA-N 0 1 401.448 3.543 20 5 HHBDMN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000440766942 983897282 /nfs/dbraw/zinc/89/72/82/983897282.db2.gz ZNDWWOTUIUFKQA-QGZVFWFLSA-N 0 1 400.822 3.867 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441539460 984311576 /nfs/dbraw/zinc/31/15/76/984311576.db2.gz IJOAITUJGDKDSJ-INIZCTEOSA-N 0 1 420.878 3.959 20 5 HHBDMN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442314437 984811882 /nfs/dbraw/zinc/81/18/82/984811882.db2.gz HLZNWBSBVAWVJJ-HNNXBMFYSA-N 0 1 417.487 3.719 20 5 HHBDMN COc1ccc(Oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cn2)cc1 ZINC000442349799 984856306 /nfs/dbraw/zinc/85/63/06/984856306.db2.gz NGLNDQUGULSATD-UHFFFAOYSA-N 0 1 401.400 3.592 20 5 HHBDMN COc1cccc(C[C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000462131335 985103063 /nfs/dbraw/zinc/10/30/63/985103063.db2.gz ACOGKVRRYDCPCP-SNVBAGLBSA-N 0 1 419.286 3.820 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)cc1C ZINC000462327501 985317788 /nfs/dbraw/zinc/31/77/88/985317788.db2.gz OSXOJOSHZMKNSK-HNAYVOBHSA-N 0 1 423.560 3.635 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1ccc2[nH]ccc2c1 ZINC000443105578 985377314 /nfs/dbraw/zinc/37/73/14/985377314.db2.gz VMQQFLQMXBKMNU-UHFFFAOYSA-N 0 1 414.270 3.904 20 5 HHBDMN COCc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462423428 985395652 /nfs/dbraw/zinc/39/56/52/985395652.db2.gz UOLINBBXXOUUOX-UHFFFAOYSA-N 0 1 405.259 3.527 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCOC1CCCCC1 ZINC000462471521 985429203 /nfs/dbraw/zinc/42/92/03/985429203.db2.gz IIRHGWRLXWLBFM-UHFFFAOYSA-N 0 1 411.307 3.919 20 5 HHBDMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(Br)s2)c([N+](=O)[O-])c1 ZINC000443346321 985510599 /nfs/dbraw/zinc/51/05/99/985510599.db2.gz PFMSGEYQOIILEZ-SECBINFHSA-N 0 1 414.281 3.717 20 5 HHBDMN C[C@H](CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000443431182 985588994 /nfs/dbraw/zinc/58/89/94/985588994.db2.gz BKZUMZFGMSFCGM-MRXNPFEDSA-N 0 1 418.519 3.539 20 5 HHBDMN COC(=O)c1cccc(NC(=O)C[C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000468033052 985688572 /nfs/dbraw/zinc/68/85/72/985688572.db2.gz FZZHJOZIYPOCEH-LBPRGKRZSA-N 0 1 405.838 3.542 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@H](O)C[C@@H]3c3cc(F)ccc3F)o2)c1 ZINC000443590094 985765763 /nfs/dbraw/zinc/76/57/63/985765763.db2.gz HZNRNDUUVCLARY-VQIMIIECSA-N 0 1 415.396 3.878 20 5 HHBDMN CC(C)CCSc1ccc(C(=O)N2CCC[C@H](c3nc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000443614234 985792464 /nfs/dbraw/zinc/79/24/64/985792464.db2.gz DDLWNYAXEKZEHB-HNNXBMFYSA-N 0 1 403.508 3.871 20 5 HHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000468187429 985870491 /nfs/dbraw/zinc/87/04/91/985870491.db2.gz FVPFCRRFTSDHKT-UHFFFAOYSA-N 0 1 407.814 3.903 20 5 HHBDMN O=C(C[C@@H]1CCCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000468265184 985967921 /nfs/dbraw/zinc/96/79/21/985967921.db2.gz CWBZRKUYRNDPLA-AWEZNQCLSA-N 0 1 415.471 3.692 20 5 HHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 ZINC000463194576 986166714 /nfs/dbraw/zinc/16/67/14/986166714.db2.gz RUCWVKKNZRBICS-INIZCTEOSA-N 0 1 423.473 3.515 20 5 HHBDMN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000463209584 986181082 /nfs/dbraw/zinc/18/10/82/986181082.db2.gz KSSXPZDWKWNWCJ-PBYMTVQHSA-N 0 1 409.914 3.838 20 5 HHBDMN CCc1[nH]nc(C(=O)N(Cc2cc(Br)ccc2F)C(C)C)c1[N+](=O)[O-] ZINC000444042278 986238958 /nfs/dbraw/zinc/23/89/58/986238958.db2.gz ISKOUTSNXNRVGR-UHFFFAOYSA-N 0 1 413.247 3.833 20 5 HHBDMN CCc1cnc(N2CCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)s1 ZINC000444212404 986395560 /nfs/dbraw/zinc/39/55/60/986395560.db2.gz MQOSAWDDJCNFLM-UHFFFAOYSA-N 0 1 413.503 3.633 20 5 HHBDMN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000463440861 986418783 /nfs/dbraw/zinc/41/87/83/986418783.db2.gz GMRWGZXFOCRHHO-UHFFFAOYSA-N 0 1 419.503 3.885 20 5 HHBDMN CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc2[nH]c(CCN3CCOCC3)nc2c1 ZINC000468747994 986461498 /nfs/dbraw/zinc/46/14/98/986461498.db2.gz HBXQTQXUCXDLKX-GHRIWEEISA-N 0 1 421.501 3.861 20 5 HHBDMN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000444680445 986860442 /nfs/dbraw/zinc/86/04/42/986860442.db2.gz PDPAEAOCNNXGBV-CQSZACIVSA-N 0 1 416.441 3.969 20 5 HHBDMN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Br)cc1 ZINC000444738257 986907732 /nfs/dbraw/zinc/90/77/32/986907732.db2.gz RVJIUDNRWPWBOH-LBPRGKRZSA-N 0 1 404.264 3.597 20 5 HHBDMN O=C(c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1)N1CCc2[nH]nnc2C1 ZINC000469238981 986959268 /nfs/dbraw/zinc/95/92/68/986959268.db2.gz KBMOUHYYPZZUAZ-UHFFFAOYSA-N 0 1 415.862 3.716 20 5 HHBDMN CC(C)[C@H](CN(C)Cc1ccccc1)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000469547352 987219357 /nfs/dbraw/zinc/21/93/57/987219357.db2.gz OPCQLLTXCSAZPU-IBGZPJMESA-N 0 1 405.520 3.567 20 5 HHBDMN COc1ccc([C@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)N2CCCC2)cc1 ZINC000445584482 987650357 /nfs/dbraw/zinc/65/03/57/987650357.db2.gz SEYWJHQXLBPWFH-QFIPXVFZSA-N 0 1 424.501 3.508 20 5 HHBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc(OCCF)c2)c1 ZINC000470437608 988409051 /nfs/dbraw/zinc/40/90/51/988409051.db2.gz IJGWJHGJHRHCBW-UHFFFAOYSA-N 0 1 419.228 3.506 20 5 HHBDMN C[C@@H](CCC1CC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000470578175 988592723 /nfs/dbraw/zinc/59/27/23/988592723.db2.gz GEGNTOBEJYFMQS-AWEZNQCLSA-N 0 1 417.487 3.704 20 5 HHBDMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000464556330 988733289 /nfs/dbraw/zinc/73/32/89/988733289.db2.gz RNTACYSSLHPITB-UHFFFAOYSA-N 0 1 400.192 3.967 20 5 HHBDMN COC(=O)C(C)(C)CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000464981818 989285570 /nfs/dbraw/zinc/28/55/70/989285570.db2.gz OZCXLRMOINFRQE-KRWDZBQOSA-N 0 1 419.865 3.717 20 5 HHBDMN CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000465040709 989364945 /nfs/dbraw/zinc/36/49/45/989364945.db2.gz XGCJPGOTLWSLHU-AUUYWEPGSA-N 0 1 417.487 3.704 20 5 HHBDMN Cc1ccc(OC(F)F)c(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000465473769 989820267 /nfs/dbraw/zinc/82/02/67/989820267.db2.gz NZAFIBOAXUVMGV-UHFFFAOYSA-N 0 1 406.794 3.637 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000471884505 990057839 /nfs/dbraw/zinc/05/78/39/990057839.db2.gz MEINAUKZASZTMR-KRWDZBQOSA-N 0 1 421.837 3.850 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])N1CCCCC1 ZINC000466994004 992303306 /nfs/dbraw/zinc/30/33/06/992303306.db2.gz WKLQPHOMBGLOOJ-LJQANCHMSA-N 0 1 401.438 3.700 20 5 HHBDMN COC[C@@H]1CCCCN([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000467123025 992437700 /nfs/dbraw/zinc/43/77/00/992437700.db2.gz UNHYWGZNSDGDBB-HUUCEWRRSA-N 0 1 418.519 3.794 20 5 HHBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)CC[C@H]1CCCO1 ZINC000467150936 992468120 /nfs/dbraw/zinc/46/81/20/992468120.db2.gz XTDNHUIVQOSLBD-XJKSGUPXSA-N 0 1 404.492 3.546 20 5 HHBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000467798355 993033653 /nfs/dbraw/zinc/03/36/53/993033653.db2.gz XMVKMMSDWWSSAF-ZDUSSCGKSA-N 0 1 401.419 3.835 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(c2cncc3ccccc32)CC1 ZINC000472743670 993674440 /nfs/dbraw/zinc/67/44/40/993674440.db2.gz BHAYYXKPDFVETE-UHFFFAOYSA-N 0 1 419.485 3.602 20 5 HHBDMN O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000472928373 993855804 /nfs/dbraw/zinc/85/58/04/993855804.db2.gz QLUUZYNMZDYVNQ-UHFFFAOYSA-N 0 1 411.324 3.769 20 5 HHBDMN Cc1[nH]c(SCC(=O)NCc2cccc([N+](=O)[O-])c2C)nc1Cc1ccccc1 ZINC000481494180 994326952 /nfs/dbraw/zinc/32/69/52/994326952.db2.gz RJSIFTZAVDRKTM-UHFFFAOYSA-N 0 1 410.499 3.934 20 5 HHBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)C[C@H]1CCCC[C@H]1O ZINC000481516435 994346596 /nfs/dbraw/zinc/34/65/96/994346596.db2.gz NBVIVDNLHYWCKV-DDUZABMNSA-N 0 1 418.519 3.528 20 5 HHBDMN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3C)cc2c1C ZINC000473760559 994673073 /nfs/dbraw/zinc/67/30/73/994673073.db2.gz BJXONCOTYATHTG-UHFFFAOYSA-N 0 1 418.427 3.935 20 5 HHBDMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000481885547 994751289 /nfs/dbraw/zinc/75/12/89/994751289.db2.gz SACVHTFXPRQUCH-IEBWSBKVSA-N 0 1 415.515 3.517 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000481954189 994836863 /nfs/dbraw/zinc/83/68/63/994836863.db2.gz AJCXGBISXDMWIF-UHFFFAOYSA-N 0 1 413.459 3.675 20 5 HHBDMN CN1CCN(Cc2ccc(NCc3cccc([N+](=O)[O-])c3)cc2Br)CC1 ZINC000474014139 995004148 /nfs/dbraw/zinc/00/41/48/995004148.db2.gz JAJZYPMRRMZUIM-UHFFFAOYSA-N 0 1 419.323 3.717 20 5 HHBDMN COc1cccc([C@@H]2[C@H](NC(=O)Cc3cccc([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000482096538 995039659 /nfs/dbraw/zinc/03/96/59/995039659.db2.gz BMQCFQOHFCRFDP-NFBKMPQASA-N 0 1 409.486 3.549 20 5 HHBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000474214373 995208454 /nfs/dbraw/zinc/20/84/54/995208454.db2.gz KJLNTIWINXANMP-ZDUSSCGKSA-N 0 1 401.419 3.835 20 5 HHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000482348782 995327087 /nfs/dbraw/zinc/32/70/87/995327087.db2.gz RDRPKTLKZNICIE-OPAMFIHVSA-N 0 1 420.425 3.544 20 5 HHBDMN 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/nfs/dbraw/zinc/24/29/41/997242941.db2.gz HVLUJWSGSOCTFQ-HXUWFJFHSA-N 0 1 416.393 3.719 20 5 HHBDMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000485118904 997502718 /nfs/dbraw/zinc/50/27/18/997502718.db2.gz BRHBLJZVWQVDCG-UHFFFAOYSA-N 0 1 418.413 3.979 20 5 HHBDMN COc1ccc(-c2n[nH]c(SCc3ccc([N+](=O)[O-])cc3OC)n2)c(OC)c1 ZINC000485370940 997796229 /nfs/dbraw/zinc/79/62/29/997796229.db2.gz DPPRACNQLAZKHC-UHFFFAOYSA-N 0 1 402.432 3.698 20 5 HHBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[nH]1 ZINC000485667267 998122400 /nfs/dbraw/zinc/12/24/00/998122400.db2.gz IBMJTAUVYRCEIE-UHFFFAOYSA-N 0 1 400.391 3.836 20 5 HHBDMN CN1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477493490 998214731 /nfs/dbraw/zinc/21/47/31/998214731.db2.gz WUBLELLHHOTXBI-ADLMAVQZSA-N 0 1 424.835 3.531 20 5 HHBDMN O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000477840435 998594848 /nfs/dbraw/zinc/59/48/48/998594848.db2.gz 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999978346 /nfs/dbraw/zinc/97/83/46/999978346.db2.gz MCJWPTLAKKQQPM-UHFFFAOYSA-N 0 1 400.422 3.640 20 5 HHBDMN COc1ccc(-c2n[nH]c(CNc3ccc([N+](=O)[O-])cc3Br)n2)cc1 ZINC000492178072 1000113735 /nfs/dbraw/zinc/11/37/35/1000113735.db2.gz JYDMQJQYXLKMLH-UHFFFAOYSA-N 0 1 404.224 3.763 20 5 HHBDMN COc1ccc(-c2nc(CNc3ccc([N+](=O)[O-])cc3Br)n[nH]2)cc1 ZINC000492178072 1000113736 /nfs/dbraw/zinc/11/37/36/1000113736.db2.gz JYDMQJQYXLKMLH-UHFFFAOYSA-N 0 1 404.224 3.763 20 5 HHBDMN O=[N+]([O-])c1cc(CN2CCC3(CC2)OCCc2ccsc23)c2c(c1)COCO2 ZINC000492349153 1000122728 /nfs/dbraw/zinc/12/27/28/1000122728.db2.gz DZRVPBKPCZKOHS-UHFFFAOYSA-N 0 1 402.472 3.587 20 5 HHBDMN COc1cc(N[C@H]2CCCN(Cc3ccc([N+](=O)[O-])c(OC)c3)C2)cc(OC)c1 ZINC000492727162 1000141458 /nfs/dbraw/zinc/14/14/58/1000141458.db2.gz GLCPNCADJGUZDL-INIZCTEOSA-N 0 1 401.463 3.697 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(c2ccccc2)C2CCN(C)CC2)c1C ZINC000493279846 1000167179 /nfs/dbraw/zinc/16/71/79/1000167179.db2.gz JVZDTIDLSDJGCL-UHFFFAOYSA-N 0 1 403.504 3.501 20 5 HHBDMN COc1cc(C(=O)Nc2ccc(CN3CCSCC3)cc2C)ccc1[N+](=O)[O-] ZINC000504604308 1000288956 /nfs/dbraw/zinc/28/89/56/1000288956.db2.gz CNLIWAIWGAOWNX-UHFFFAOYSA-N 0 1 401.488 3.713 20 5 HHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000504691188 1000328115 /nfs/dbraw/zinc/32/81/15/1000328115.db2.gz GAXSLPXONQFPEA-ZDUSSCGKSA-N 0 1 400.822 3.808 20 5 HHBDMN CCOc1ccc([C@@H](C)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000504911511 1000443870 /nfs/dbraw/zinc/44/38/70/1000443870.db2.gz HMZBKNOLRUBMAM-VFNWGFHPSA-N 0 1 413.474 3.962 20 5 HHBDMN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000505781036 1001020312 /nfs/dbraw/zinc/02/03/12/1001020312.db2.gz GQNCYDWTGJKADL-CYBMUJFWSA-N 0 1 400.435 3.665 20 5 HHBDMN COc1cc(C)c(CN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000506055005 1001194467 /nfs/dbraw/zinc/19/44/67/1001194467.db2.gz GPXNVIDZDAXQEC-UHFFFAOYSA-N 0 1 410.474 3.953 20 5 HHBDMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000506063231 1001199860 /nfs/dbraw/zinc/19/98/60/1001199860.db2.gz DBOGVHVYSDORLH-AWEZNQCLSA-N 0 1 415.471 3.695 20 5 HHBDMN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000506183280 1001265406 /nfs/dbraw/zinc/26/54/06/1001265406.db2.gz KQEGYHFJAXKZDO-SFHVURJKSA-N 0 1 404.430 3.818 20 5 HHBDMN O=C(Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1)Nc1ccccc1F ZINC000506186783 1001267074 /nfs/dbraw/zinc/26/70/74/1001267074.db2.gz GHKXFXQMELNOQT-UHFFFAOYSA-N 0 1 409.373 3.873 20 5 HHBDMN O=C(Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506192841 1001270036 /nfs/dbraw/zinc/27/00/36/1001270036.db2.gz QCUUYSZVQIUVMU-UHFFFAOYSA-N 0 1 403.394 3.756 20 5 HHBDMN COc1cccc(Cn2c(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)nc3ccccc32)c1 ZINC000506207142 1001278549 /nfs/dbraw/zinc/27/85/49/1001278549.db2.gz FBOVZSYOGXDDLV-UHFFFAOYSA-N 0 1 418.409 3.959 20 5 HHBDMN 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Cc1cccc2nc(CNC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c21 ZINC000498401780 1001829292 /nfs/dbraw/zinc/82/92/92/1001829292.db2.gz UHKOZSGQFZWTED-UHFFFAOYSA-N 0 1 421.379 3.917 20 5 HHBDMN O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000507213898 1001902115 /nfs/dbraw/zinc/90/21/15/1001902115.db2.gz QOGZCIXXHZBZDQ-UHFFFAOYSA-N 0 1 423.391 3.714 20 5 HHBDMN O=C(Nc1nccn1Cc1ccc(Br)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507288754 1001972956 /nfs/dbraw/zinc/97/29/56/1001972956.db2.gz BKPBJQCXBJVNGB-UHFFFAOYSA-N 0 1 417.219 3.560 20 5 HHBDMN COc1ccc(CC[C@@H]2CCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OC ZINC000507321408 1002000183 /nfs/dbraw/zinc/00/01/83/1002000183.db2.gz DIPGCNFHJNGPKX-KRWDZBQOSA-N 0 1 414.458 3.945 20 5 HHBDMN CN(CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000507657362 1002255832 /nfs/dbraw/zinc/25/58/32/1002255832.db2.gz CFGLLQYPIITAMJ-UHFFFAOYSA-N 0 1 407.474 3.512 20 5 HHBDMN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498904831 1002298210 /nfs/dbraw/zinc/29/82/10/1002298210.db2.gz URRNUNGPGBLGJD-NSHDSACASA-N 0 1 409.368 3.629 20 5 HHBDMN C[C@@H](NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000507950603 1002482927 /nfs/dbraw/zinc/48/29/27/1002482927.db2.gz ANGFNTZSLJALEZ-KDOFPFPSSA-N 0 1 406.446 3.988 20 5 HHBDMN C[C@@H](NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000507950603 1002482919 /nfs/dbraw/zinc/48/29/19/1002482919.db2.gz ANGFNTZSLJALEZ-KDOFPFPSSA-N 0 1 406.446 3.988 20 5 HHBDMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000499128086 1002512257 /nfs/dbraw/zinc/51/22/57/1002512257.db2.gz BXIXUVZTGGDQPN-HXUWFJFHSA-N 0 1 414.425 3.976 20 5 HHBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC000508017017 1002541399 /nfs/dbraw/zinc/54/13/99/1002541399.db2.gz VXQPSIFFTODTGT-UHFFFAOYSA-N 0 1 405.370 3.919 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccccc2OCc2cscn2)cc1[N+](=O)[O-] ZINC000508027520 1002550060 /nfs/dbraw/zinc/55/00/60/1002550060.db2.gz VOAMIZKXCRUAEX-UHFFFAOYSA-N 0 1 405.457 3.740 20 5 HHBDMN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000499870320 1003207276 /nfs/dbraw/zinc/20/72/76/1003207276.db2.gz FDJGQCMYDNWFJJ-GOSISDBHSA-N 0 1 408.458 3.643 20 5 HHBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CN3CCSCC3)cc2C)c1 ZINC000509218653 1003632649 /nfs/dbraw/zinc/63/26/49/1003632649.db2.gz PTODJWZUDOGDPE-UHFFFAOYSA-N 0 1 401.488 3.713 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000500349294 1003647955 /nfs/dbraw/zinc/64/79/55/1003647955.db2.gz POEJRNLCJRHLHF-UHFFFAOYSA-N 0 1 415.427 3.803 20 5 HHBDMN COC(=O)COc1ccc(CN[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000500400237 1003693396 /nfs/dbraw/zinc/69/33/96/1003693396.db2.gz SHBDZVXHEDPMPI-XCLFUZPHSA-N 0 1 404.850 3.825 20 5 HHBDMN CCCOc1cc(NC(=O)N2CCN(CC3CC3)CC2)c([N+](=O)[O-])cc1OCCC ZINC000509708130 1004041882 /nfs/dbraw/zinc/04/18/82/1004041882.db2.gz MCSMWHPRTDZYRK-UHFFFAOYSA-N 0 1 420.510 3.732 20 5 HHBDMN CCN([C@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000509788612 1004097783 /nfs/dbraw/zinc/09/77/83/1004097783.db2.gz KDTCQPHXOAKNDG-MJGOQNOKSA-N 0 1 417.531 3.749 20 5 HHBDMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000510656352 1004782186 /nfs/dbraw/zinc/78/21/86/1004782186.db2.gz LJOUOQVQOQFONR-HNNXBMFYSA-N 0 1 415.469 3.759 20 5 HHBDMN O=[N+]([O-])c1cc(CN2CCC[C@H]2CN2CCOCC2)ccc1Oc1ccc(F)cc1 ZINC000510692839 1004801110 /nfs/dbraw/zinc/80/11/10/1004801110.db2.gz JFUIPTFTSLZGQR-IBGZPJMESA-N 0 1 415.465 3.823 20 5 HHBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000501934891 1004817319 /nfs/dbraw/zinc/81/73/19/1004817319.db2.gz ZATLIWQZARCKLM-UHFFFAOYSA-N 0 1 400.460 3.723 20 5 HHBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)c1 ZINC000510773893 1004845251 /nfs/dbraw/zinc/84/52/51/1004845251.db2.gz LFHUTUBZTCAMTG-MRXNPFEDSA-N 0 1 402.499 3.567 20 5 HHBDMN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc2n[nH]cc2c1 ZINC000513202670 1004858766 /nfs/dbraw/zinc/85/87/66/1004858766.db2.gz XRHRTRKGAYMSAP-JTQLQIEISA-N 0 1 418.251 3.523 20 5 HHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H](OC1CCOCC1)c1ccccc1 ZINC000502098264 1004901979 /nfs/dbraw/zinc/90/19/79/1004901979.db2.gz OAFDYTUJKRXZAJ-QKKBWIMNSA-N 0 1 424.457 3.526 20 5 HHBDMN COc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccccc2)cc1[N+](=O)[O-] ZINC000502426718 1005071857 /nfs/dbraw/zinc/07/18/57/1005071857.db2.gz UCMGTEHFHVVFSG-UHFFFAOYSA-N 0 1 400.416 3.543 20 5 HHBDMN Cn1ccnc1[C@@H](NCC(C)(C)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000513716980 1005094659 /nfs/dbraw/zinc/09/46/59/1005094659.db2.gz KOLWVUGUJJIPIX-QFIPXVFZSA-N 0 1 419.529 3.844 20 5 HHBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000502695079 1005183045 /nfs/dbraw/zinc/18/30/45/1005183045.db2.gz QHJTXBMGPCIVTL-UHFFFAOYSA-N 0 1 414.531 3.893 20 5 HHBDMN CCCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502955321 1005291141 /nfs/dbraw/zinc/29/11/41/1005291141.db2.gz KBWIVXBCECSAJV-KRWDZBQOSA-N 0 1 412.490 3.971 20 5 HHBDMN CC(C)(NC(=O)c1cc(Br)cc2nc[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC000503013889 1005315649 /nfs/dbraw/zinc/31/56/49/1005315649.db2.gz HAINEIHYEMYSOV-UHFFFAOYSA-N 0 1 403.236 3.899 20 5 HHBDMN O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Br)cc(Cl)c1O ZINC000534206659 1006200108 /nfs/dbraw/zinc/20/01/08/1006200108.db2.gz WFWOAAGAUZBXRH-UHFFFAOYSA-N 0 1 401.600 3.734 20 5 HHBDMN CN1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534222733 1006217762 /nfs/dbraw/zinc/21/77/62/1006217762.db2.gz SUQVNRKTDDHOMP-VBKZILBWSA-N 0 1 421.856 3.575 20 5 HHBDMN Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000534472985 1006458579 /nfs/dbraw/zinc/45/85/79/1006458579.db2.gz KXLAOHRQXLUTIT-SFHVURJKSA-N 0 1 418.457 3.968 20 5 HHBDMN COCCN1CCCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000532014181 1006576262 /nfs/dbraw/zinc/57/62/62/1006576262.db2.gz GOYFPOMVWBOQSG-UHFFFAOYSA-N 0 1 415.515 3.540 20 5 HHBDMN C[C@@H](CC(=O)c1ccccc1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000534649565 1006628790 /nfs/dbraw/zinc/62/87/90/1006628790.db2.gz HLCVTEARTCLLOL-JTQLQIEISA-N 0 1 417.270 3.841 20 5 HHBDMN Cc1c(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000534701463 1006687720 /nfs/dbraw/zinc/68/77/20/1006687720.db2.gz LPIXQZPSPGKBOB-UHFFFAOYSA-N 0 1 413.344 3.550 20 5 HHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000538592373 1006861304 /nfs/dbraw/zinc/86/13/04/1006861304.db2.gz SFDKPWBAUAOSFU-HOTGVXAUSA-N 0 1 409.552 3.716 20 5 HHBDMN COc1cccc([C@@H]2[C@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CCN2C2CC2)c1 ZINC000538674871 1006959844 /nfs/dbraw/zinc/95/98/44/1006959844.db2.gz GLJVFSXHUAUBEN-WZONZLPQSA-N 0 1 422.485 3.878 20 5 HHBDMN Cc1c(NC(=O)CCN2CCN(C/C=C\c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000532558421 1006991758 /nfs/dbraw/zinc/99/17/58/1006991758.db2.gz GXEYXSGKWQKIPV-TWGQIWQCSA-N 0 1 408.502 3.563 20 5 HHBDMN COc1cc(CN2CCC[C@@H]2Cn2c(C)nc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000538762393 1007047780 /nfs/dbraw/zinc/04/77/80/1007047780.db2.gz NQKPPVNLXQTNFZ-QGZVFWFLSA-N 0 1 410.474 3.935 20 5 HHBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000539020445 1007317203 /nfs/dbraw/zinc/31/72/03/1007317203.db2.gz KFXBJQWENFZRKF-OAHLLOKOSA-N 0 1 415.471 3.517 20 5 HHBDMN CC[C@H](NCc1ccccc1CS(=O)(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000539045266 1007342133 /nfs/dbraw/zinc/34/21/33/1007342133.db2.gz IBDABYRSWMBBGV-NRFANRHFSA-N 0 1 417.531 3.761 20 5 HHBDMN C[C@@H](C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000516920112 1007343992 /nfs/dbraw/zinc/34/39/92/1007343992.db2.gz FXZFOTLDGUMGCT-CQSZACIVSA-N 0 1 402.882 3.742 20 5 HHBDMN COc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000532976470 1007346414 /nfs/dbraw/zinc/34/64/14/1007346414.db2.gz CECZZNPORATXCY-ZBFHGGJFSA-N 0 1 401.438 3.634 20 5 HHBDMN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000533298401 1007613643 /nfs/dbraw/zinc/61/36/43/1007613643.db2.gz ZLEJNZPPVKRRQE-HXUWFJFHSA-N 0 1 420.469 3.920 20 5 HHBDMN CN(C)C1CN(C(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)C1 ZINC000539319218 1007617939 /nfs/dbraw/zinc/61/79/39/1007617939.db2.gz SKXGKLDDRBVSGT-WJDWOHSUSA-N 0 1 422.510 3.908 20 5 HHBDMN CN1CC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535679596 1007707093 /nfs/dbraw/zinc/70/70/93/1007707093.db2.gz JRLMBTLKBKKBFP-VLIAUNLRSA-N 0 1 421.856 3.575 20 5 HHBDMN CCCCc1nc2ccc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)cc2[nH]1 ZINC000517557385 1007768237 /nfs/dbraw/zinc/76/82/37/1007768237.db2.gz DHXYECOCICOZMM-UHFFFAOYSA-N 0 1 405.418 3.647 20 5 HHBDMN CCOC(=O)c1oc2ccccc2c1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533516578 1007836037 /nfs/dbraw/zinc/83/60/37/1007836037.db2.gz TXMDYMJZKGDFQE-CQSZACIVSA-N 0 1 410.430 3.599 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000535991685 1008030825 /nfs/dbraw/zinc/03/08/25/1008030825.db2.gz WMTMEDRNJQXSGX-UHFFFAOYSA-N 0 1 410.455 3.619 20 5 HHBDMN Cc1c([C@H](C)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000540179097 1008324910 /nfs/dbraw/zinc/32/49/10/1008324910.db2.gz MLUNWEBEMABFSS-INIZCTEOSA-N 0 1 416.909 3.556 20 5 HHBDMN O=C(C[C@H]1C=CCC1)Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000518602728 1008361589 /nfs/dbraw/zinc/36/15/89/1008361589.db2.gz JHTPRCKHXHWVNM-AWEZNQCLSA-N 0 1 401.444 3.690 20 5 HHBDMN COc1cc([C@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1OC(C)C ZINC000540354851 1008396011 /nfs/dbraw/zinc/39/60/11/1008396011.db2.gz SZINDJNVGGEEGI-HNNXBMFYSA-N 0 1 413.474 3.631 20 5 HHBDMN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(OCC(F)(F)F)cc1 ZINC000540363227 1008400292 /nfs/dbraw/zinc/40/02/92/1008400292.db2.gz OKTNIDBEMKVROR-ZDUSSCGKSA-N 0 1 423.391 3.776 20 5 HHBDMN COc1cc(CN[C@@H](C)c2ccc(-n3ccnn3)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000540428807 1008429437 /nfs/dbraw/zinc/42/94/37/1008429437.db2.gz CSBZITACOBJPEJ-LBPRGKRZSA-N 0 1 419.388 3.636 20 5 HHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 ZINC000540438679 1008434605 /nfs/dbraw/zinc/43/46/05/1008434605.db2.gz RGPUEKGOZUOPKS-HNNXBMFYSA-N 0 1 406.442 3.955 20 5 HHBDMN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000519060307 1008514206 /nfs/dbraw/zinc/51/42/06/1008514206.db2.gz SZVVFANAJPLHIK-AWEZNQCLSA-N 0 1 405.476 3.541 20 5 HHBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000549099858 1008664449 /nfs/dbraw/zinc/66/44/49/1008664449.db2.gz RHPGEKWOYJHHRI-LJQANCHMSA-N 0 1 400.479 3.599 20 5 HHBDMN CN1CCCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cn4)n3)cc2Cl)CC1 ZINC000545769833 1008857926 /nfs/dbraw/zinc/85/79/26/1008857926.db2.gz PVKSKJUYZZAOHW-UHFFFAOYSA-N 0 1 414.853 3.502 20 5 HHBDMN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000543312731 1008892362 /nfs/dbraw/zinc/89/23/62/1008892362.db2.gz KUAHZZHRAKELRG-JKSUJKDBSA-N 0 1 405.907 3.554 20 5 HHBDMN CNc1ccc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000546012390 1009047717 /nfs/dbraw/zinc/04/77/17/1009047717.db2.gz CAHWECPYCWPLCH-QGZVFWFLSA-N 0 1 410.396 3.688 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])[nH]c2c1 ZINC000519930781 1009086621 /nfs/dbraw/zinc/08/66/21/1009086621.db2.gz JRRFYEVNEMQVCK-MRXNPFEDSA-N 0 1 420.878 3.959 20 5 HHBDMN COc1ccc2oc([C@H](C)NCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)c(C)c2c1 ZINC000543511791 1009101451 /nfs/dbraw/zinc/10/14/51/1009101451.db2.gz FVVORVJBJNJBQJ-AWEZNQCLSA-N 0 1 409.442 3.898 20 5 HHBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2ccncc2)c1 ZINC000543592991 1009198878 /nfs/dbraw/zinc/19/88/78/1009198878.db2.gz AAHJZOPQDMTJRW-MRXNPFEDSA-N 0 1 411.483 3.781 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)[nH]c2c1 ZINC000520259667 1009376508 /nfs/dbraw/zinc/37/65/08/1009376508.db2.gz QEIKNIGMNBZXOP-SFHVURJKSA-N 0 1 414.487 3.922 20 5 HHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000543835669 1009397616 /nfs/dbraw/zinc/39/76/16/1009397616.db2.gz FVOHKLVPOFCGGJ-MRXNPFEDSA-N 0 1 420.347 3.704 20 5 HHBDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000549919452 1009536829 /nfs/dbraw/zinc/53/68/29/1009536829.db2.gz JHJHAJFYMWVJSG-OSEOCOMQSA-N 0 1 403.523 3.984 20 5 HHBDMN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(C)(C)C ZINC000520666618 1009737147 /nfs/dbraw/zinc/73/71/47/1009737147.db2.gz YCFSYIRYRUAJSL-SFHVURJKSA-N 0 1 419.503 3.950 20 5 HHBDMN O=C(NCc1ccccc1[N+](=O)[O-])NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000520736980 1009806864 /nfs/dbraw/zinc/80/68/64/1009806864.db2.gz OECBDTQSUJKMOD-UHFFFAOYSA-N 0 1 416.909 3.960 20 5 HHBDMN COc1cc(Br)cc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000546883370 1009843508 /nfs/dbraw/zinc/84/35/08/1009843508.db2.gz LVXHVRYZWJZGJR-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN CCc1ccc([C@H](NC[C@H](C(C)C)N2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544367888 1009995688 /nfs/dbraw/zinc/99/56/88/1009995688.db2.gz JRFYYGRBFKAQBC-IFMALSPDSA-N 0 1 401.507 3.786 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCSc3c(Cl)cccc32)cc1 ZINC000544573210 1010202544 /nfs/dbraw/zinc/20/25/44/1010202544.db2.gz PXIRPFVJWXMWDL-INIZCTEOSA-N 0 1 412.920 3.849 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)c1 ZINC000544638919 1010264086 /nfs/dbraw/zinc/26/40/86/1010264086.db2.gz UBBFRIQBFIXRDV-UHFFFAOYSA-N 0 1 419.503 3.707 20 5 HHBDMN C[C@@H](N[C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000521385894 1010349575 /nfs/dbraw/zinc/34/95/75/1010349575.db2.gz JEBMYBFOGZCJSA-CABCVRRESA-N 0 1 405.882 3.825 20 5 HHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000521385897 1010349776 /nfs/dbraw/zinc/34/97/76/1010349776.db2.gz JEBMYBFOGZCJSA-LSDHHAIUSA-N 0 1 405.882 3.825 20 5 HHBDMN COc1ccc(C(=O)CCCCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000544817856 1010410710 /nfs/dbraw/zinc/41/07/10/1010410710.db2.gz WLVQVRJKUCHLGX-UHFFFAOYSA-N 0 1 423.429 3.770 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000521501074 1010415965 /nfs/dbraw/zinc/41/59/65/1010415965.db2.gz XGNXUAYIKHDBHF-CJNGLKHVSA-N 0 1 409.870 3.808 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc([C@H]4C[C@H]4C)no3)cc2)cc1[N+](=O)[O-] ZINC000545067734 1010589750 /nfs/dbraw/zinc/58/97/50/1010589750.db2.gz POMDEXBMFQCRKH-WBMJQRKESA-N 0 1 414.443 3.877 20 5 HHBDMN C[C@@H](c1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1)C1CC1 ZINC000545105688 1010617698 /nfs/dbraw/zinc/61/76/98/1010617698.db2.gz HPJZWMOKZONPSK-GFCCVEGCSA-N 0 1 414.443 3.959 20 5 HHBDMN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc([C@@H]4CCCN(Cc5cccnc5)C4)n3)c2c1 ZINC000545143503 1010645021 /nfs/dbraw/zinc/64/50/21/1010645021.db2.gz XYFXDXMFAGKMMU-MRXNPFEDSA-N 0 1 418.457 3.825 20 5 HHBDMN CCOc1cccc(N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)c1[N+](=O)[O-] ZINC000545166342 1010663254 /nfs/dbraw/zinc/66/32/54/1010663254.db2.gz SZJQZFUEOQDMQK-INIZCTEOSA-N 0 1 401.463 3.697 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000551587540 1010680226 /nfs/dbraw/zinc/68/02/26/1010680226.db2.gz IKGZNEBJAFVTON-UHFFFAOYSA-N 0 1 402.394 3.615 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2ccn(CCOC)c2c1 ZINC000536116987 1011234685 /nfs/dbraw/zinc/23/46/85/1011234685.db2.gz MVTHUBPZVXLSIF-UHFFFAOYSA-N 0 1 403.460 3.559 20 5 HHBDMN CN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H]1c1ccccc1 ZINC000536262380 1011428194 /nfs/dbraw/zinc/42/81/94/1011428194.db2.gz HEQSAMSQQKWCJC-IAGOWNOFSA-N 0 1 404.264 3.533 20 5 HHBDMN CN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H]1c1ccccc1 ZINC000536262385 1011428739 /nfs/dbraw/zinc/42/87/39/1011428739.db2.gz HEQSAMSQQKWCJC-SJORKVTESA-N 0 1 404.264 3.533 20 5 HHBDMN COc1cc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c([N+](=O)[O-])cc1OC ZINC000540858720 1011526626 /nfs/dbraw/zinc/52/66/26/1011526626.db2.gz SQATWGZZCNUGEU-UHFFFAOYSA-N 0 1 419.397 3.803 20 5 HHBDMN O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1cc2ccccc2c2cccnc12 ZINC000536351084 1011557468 /nfs/dbraw/zinc/55/74/68/1011557468.db2.gz PEHSTKLBUBHJSZ-LEWJYISDSA-N 0 1 411.505 3.753 20 5 HHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000540959337 1011602012 /nfs/dbraw/zinc/60/20/12/1011602012.db2.gz KHNNGQBQWKPTSL-UHFFFAOYSA-N 0 1 415.450 3.951 20 5 HHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000540959337 1011602018 /nfs/dbraw/zinc/60/20/18/1011602018.db2.gz KHNNGQBQWKPTSL-UHFFFAOYSA-N 0 1 415.450 3.951 20 5 HHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC3(C[C@H]3C(=O)OC)CC2)cc1OC ZINC000541056217 1011695926 /nfs/dbraw/zinc/69/59/26/1011695926.db2.gz DZJFHXPXXLIASP-WBVHZDCISA-N 0 1 420.506 3.803 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000536732249 1011906749 /nfs/dbraw/zinc/90/67/49/1011906749.db2.gz BDWGKKOFCHUHQY-QGZVFWFLSA-N 0 1 414.481 3.750 20 5 HHBDMN Cc1ccc(C[NH+]2CCSCC2)cc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000523458625 1011961654 /nfs/dbraw/zinc/96/16/54/1011961654.db2.gz PBQNTOCTFADOTA-UHFFFAOYSA-N 0 1 421.544 3.561 20 5 HHBDMN CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000523522890 1012049299 /nfs/dbraw/zinc/04/92/99/1012049299.db2.gz HTWYCTRYCSXPIF-STQMWFEESA-N 0 1 405.476 3.819 20 5 HHBDMN Cn1ccnc1[C@H](NC[C@@H](c1ccccc1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552040144 1012060454 /nfs/dbraw/zinc/06/04/54/1012060454.db2.gz FDTYAIOLVVCKNT-FCHUYYIVSA-N 0 1 405.502 3.844 20 5 HHBDMN C[C@@H](N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000536873169 1012114249 /nfs/dbraw/zinc/11/42/49/1012114249.db2.gz ZYXZEQLYLULBEZ-SJKOYZFVSA-N 0 1 409.364 3.950 20 5 HHBDMN Cn1ccnc1[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552223996 1012236933 /nfs/dbraw/zinc/23/69/33/1012236933.db2.gz BCMKZATXQQULKT-IFMALSPDSA-N 0 1 405.502 3.672 20 5 HHBDMN COc1ccc(C[C@H](C)CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000552275210 1012289008 /nfs/dbraw/zinc/28/90/08/1012289008.db2.gz OGIFEYUOXYQUKP-AOMKIAJQSA-N 0 1 424.501 3.903 20 5 HHBDMN CCc1ccc([C@H](NCCc2nnc3n2CCCCC3)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541552269 1012339443 /nfs/dbraw/zinc/33/94/43/1012339443.db2.gz ZUQDFDHGCFOJBE-JOCHJYFZSA-N 0 1 409.490 3.990 20 5 HHBDMN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OCC(F)(F)F ZINC000523729197 1012344835 /nfs/dbraw/zinc/34/48/35/1012344835.db2.gz HZTHRYFCVDADDH-UHFFFAOYSA-N 0 1 420.365 3.654 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCCN(c3cccc(Cl)c3C)CC2)c1[N+](=O)[O-] ZINC000552624758 1012627228 /nfs/dbraw/zinc/62/72/28/1012627228.db2.gz WQJGEYUWMXMGCN-UHFFFAOYSA-N 0 1 405.886 3.585 20 5 HHBDMN CO[C@H](C)c1nc(CN2CCCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000541773155 1012639718 /nfs/dbraw/zinc/63/97/18/1012639718.db2.gz SMDKURPNTYYLJR-MRXNPFEDSA-N 0 1 404.536 3.775 20 5 HHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCOc2ccc(C(F)(F)F)cn2)c1 ZINC000537312634 1012770990 /nfs/dbraw/zinc/77/09/90/1012770990.db2.gz YAWMACSZEBJRQV-UHFFFAOYSA-N 0 1 407.295 3.779 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1cc(F)cnc1Cl ZINC001212021531 1071901869 /nfs/dbraw/zinc/90/18/69/1071901869.db2.gz QVFFFBWMEGSPTA-UHFFFAOYSA-N 0 1 414.629 3.568 20 5 HHBDMN CCOc1ccc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1F ZINC000760343057 1072265288 /nfs/dbraw/zinc/26/52/88/1072265288.db2.gz AHERJUQNCXFNGF-UHFFFAOYSA-N 0 1 419.228 3.696 20 5 HHBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000572370594 1073257466 /nfs/dbraw/zinc/25/74/66/1073257466.db2.gz XFPGZVZBPPGAHK-UHFFFAOYSA-N 0 1 420.821 3.877 20 5 HHBDMN O=C(NCC1(N2CCSCC2)CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555295998 1073326620 /nfs/dbraw/zinc/32/66/20/1073326620.db2.gz GOJNQIFNGWVYHJ-UHFFFAOYSA-N 0 1 417.453 3.705 20 5 HHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000575054997 1075448803 /nfs/dbraw/zinc/44/88/03/1075448803.db2.gz BXRSRFXCUCAGFM-FQEVSTJZSA-N 0 1 422.485 3.756 20 5 HHBDMN Cc1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000575079170 1075471720 /nfs/dbraw/zinc/47/17/20/1075471720.db2.gz QEAAKQDZOMFTCI-QGZVFWFLSA-N 0 1 421.457 3.505 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164901807 721583982 /nfs/dbraw/zinc/58/39/82/721583982.db2.gz ASFFIJZYCSMTJE-SFHVURJKSA-N 0 1 423.851 3.776 20 5 HHBDMN CN1CCN(C[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000301172603 970786295 /nfs/dbraw/zinc/78/62/95/970786295.db2.gz UZCHDVXUOVTECB-SFHVURJKSA-N 0 1 419.323 3.758 20 5 HHBDMN CN(C)[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1cccs1 ZINC000301176527 970789070 /nfs/dbraw/zinc/78/90/70/970789070.db2.gz LOQCKIBJSBLCMU-HNNXBMFYSA-N 0 1 419.894 3.570 20 5 HHBDMN CS(=O)(=O)c1cccc(NC2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1[N+](=O)[O-] ZINC000301869170 971092575 /nfs/dbraw/zinc/09/25/75/971092575.db2.gz GYRPVVIGQPICOO-AYHJJNSGSA-N 0 1 415.515 3.606 20 5 HHBDMN CNC(=O)c1ccc(NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000301901194 971107129 /nfs/dbraw/zinc/10/71/29/971107129.db2.gz ZWGLVNWDPHWOGE-LIRRHRJNSA-N 0 1 420.872 3.852 20 5 HHBDMN CCc1nn(C)c(N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000301917852 971115574 /nfs/dbraw/zinc/11/55/74/971115574.db2.gz BACFOPWMFQHZBK-UHFFFAOYSA-N 0 1 403.486 3.783 20 5 HHBDMN Cc1cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302169838 971194766 /nfs/dbraw/zinc/19/47/66/971194766.db2.gz LSWIFPSBRPXRAO-UHFFFAOYSA-N 0 1 412.396 3.692 20 5 HHBDMN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000537550099 1013072648 /nfs/dbraw/zinc/07/26/48/1013072648.db2.gz BVUVSLUYZZYHAU-AWEZNQCLSA-N 0 1 401.442 3.920 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000303237529 971574499 /nfs/dbraw/zinc/57/44/99/971574499.db2.gz YSTXFRFIRRRIBT-UHFFFAOYSA-N 0 1 416.453 3.720 20 5 HHBDMN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000303469097 971770735 /nfs/dbraw/zinc/77/07/35/971770735.db2.gz HGKBKBNHRPWMFF-UHFFFAOYSA-N 0 1 415.837 3.615 20 5 HHBDMN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000303589114 971882000 /nfs/dbraw/zinc/88/20/00/971882000.db2.gz RJLVJHSPFFSCFF-KRWDZBQOSA-N 0 1 407.392 3.547 20 5 HHBDMN COC(=O)C[C@H]1CSCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000537618618 1013160440 /nfs/dbraw/zinc/16/04/40/1013160440.db2.gz HHVUPHHAIWHHEI-ZDUSSCGKSA-N 0 1 410.879 3.989 20 5 HHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccccc3OCc3cccnc3)C2)nc1 ZINC000537634337 1013189752 /nfs/dbraw/zinc/18/97/52/1013189752.db2.gz IEYZKGJNKQQHSJ-LJQANCHMSA-N 0 1 405.458 3.650 20 5 HHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000537731987 1013293362 /nfs/dbraw/zinc/29/33/62/1013293362.db2.gz DHGRDLNWGGIBSY-SFHVURJKSA-N 0 1 413.474 3.569 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 ZINC000012652087 962308215 /nfs/dbraw/zinc/30/82/15/962308215.db2.gz FCRNNNBHUHGUFL-UHFFFAOYSA-N 0 1 404.473 3.606 20 5 HHBDMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000015365703 962738276 /nfs/dbraw/zinc/73/82/76/962738276.db2.gz UVYAIZXKDUKODW-ICSRJNTNSA-N 0 1 415.515 3.517 20 5 HHBDMN COc1cccc(NC(=O)[C@H](NCCNc2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000015501208 962776011 /nfs/dbraw/zinc/77/60/11/962776011.db2.gz QBRSCCSWTUTYQE-JOCHJYFZSA-N 0 1 420.469 3.985 20 5 HHBDMN COc1cccc(NC(=O)[C@@H](NCCNc2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000015501206 962776458 /nfs/dbraw/zinc/77/64/58/962776458.db2.gz QBRSCCSWTUTYQE-QFIPXVFZSA-N 0 1 420.469 3.985 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000017911398 963240180 /nfs/dbraw/zinc/24/01/80/963240180.db2.gz UTSBCPTZRBUXLR-JOCHJYFZSA-N 0 1 424.501 3.745 20 5 HHBDMN Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)cn2)n1 ZINC000024577914 964024269 /nfs/dbraw/zinc/02/42/69/964024269.db2.gz UMOKSTLEQASMQO-UHFFFAOYSA-N 0 1 421.866 3.555 20 5 HHBDMN O=C(CN[C@H](c1ccc(Cl)cc1)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000050273821 964299159 /nfs/dbraw/zinc/29/91/59/964299159.db2.gz OIBWWXHPXMDIBE-IBGZPJMESA-N 0 1 403.822 3.656 20 5 HHBDMN CCC[C@H](C)NC(=O)[C@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000051054565 964453436 /nfs/dbraw/zinc/45/34/36/964453436.db2.gz KTMTULRGUXVBHW-ZOBUZTSGSA-N 0 1 415.494 3.723 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000537941966 1013525939 /nfs/dbraw/zinc/52/59/39/1013525939.db2.gz KCYXMMKPNJPOBP-KRWDZBQOSA-N 0 1 417.531 3.680 20 5 HHBDMN CC[C@H](NCc1ccc(S(=O)(=O)N(CC)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537971769 1013548377 /nfs/dbraw/zinc/54/83/77/1013548377.db2.gz GOGWBVICGWBXNC-FQEVSTJZSA-N 0 1 405.520 3.866 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000057126402 965301165 /nfs/dbraw/zinc/30/11/65/965301165.db2.gz GYNGYWBOMUTPDP-UHFFFAOYSA-N 0 1 415.427 3.900 20 5 HHBDMN C[C@H](c1ccccc1Cl)N1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000029690681 965460354 /nfs/dbraw/zinc/46/03/54/965460354.db2.gz BUGUSGDUHUBZEG-MRXNPFEDSA-N 0 1 416.909 3.956 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCc3c2cc(Cl)cc3Cl)cc1 ZINC000542679642 1013601199 /nfs/dbraw/zinc/60/11/99/1013601199.db2.gz ZJAZQVVQTMSYBM-KRWDZBQOSA-N 0 1 415.298 3.952 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCc3c2cc(Cl)cc3Cl)cc1 ZINC000542679643 1013601322 /nfs/dbraw/zinc/60/13/22/1013601322.db2.gz ZJAZQVVQTMSYBM-QGZVFWFLSA-N 0 1 415.298 3.952 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c(Cl)c1 ZINC000055631428 965975783 /nfs/dbraw/zinc/97/57/83/965975783.db2.gz BMOYTSJVSXUFKP-HNNXBMFYSA-N 0 1 412.851 3.607 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000055651342 965997070 /nfs/dbraw/zinc/99/70/70/965997070.db2.gz KENCKSHPZNTYDM-OAHLLOKOSA-N 0 1 417.487 3.719 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)N1CCCCC1 ZINC000055752668 966049095 /nfs/dbraw/zinc/04/90/95/966049095.db2.gz LKDFKPPQRJJISF-LJQANCHMSA-N 0 1 401.438 3.700 20 5 HHBDMN CC(=O)Nc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C(F)(F)F)c1 ZINC000031556040 966051182 /nfs/dbraw/zinc/05/11/82/966051182.db2.gz OHDSIXNSJIZQQY-UHFFFAOYSA-N 0 1 417.365 3.681 20 5 HHBDMN CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000060499901 966174674 /nfs/dbraw/zinc/17/46/74/966174674.db2.gz NXCOZUDWJHWWFX-HXUWFJFHSA-N 0 1 413.474 3.569 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000032589556 966288226 /nfs/dbraw/zinc/28/82/26/966288226.db2.gz JXADLGCNOMGFJQ-UHFFFAOYSA-N 0 1 418.500 3.914 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)c1 ZINC000542729476 1013641741 /nfs/dbraw/zinc/64/17/41/1013641741.db2.gz RQOWLTXCCACROT-UHFFFAOYSA-N 0 1 400.416 3.595 20 5 HHBDMN O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000038907150 966488132 /nfs/dbraw/zinc/48/81/32/966488132.db2.gz VKULBTOHUKXIDC-UHFFFAOYSA-N 0 1 417.469 3.564 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000041816134 966642284 /nfs/dbraw/zinc/64/22/84/966642284.db2.gz PYSQIHIKEPQMDT-HXUWFJFHSA-N 0 1 415.515 3.892 20 5 HHBDMN O=C(NCc1cccc([N+](=O)[O-])c1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000063069920 966746025 /nfs/dbraw/zinc/74/60/25/966746025.db2.gz XLJLZBPTWZCZQU-UHFFFAOYSA-N 0 1 402.882 3.712 20 5 HHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000538120005 1013682332 /nfs/dbraw/zinc/68/23/32/1013682332.db2.gz KGAVAHJDOBIZJO-NWDGAFQWSA-N 0 1 409.389 3.883 20 5 HHBDMN Cn1ccnc1C(=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000064113091 967051405 /nfs/dbraw/zinc/05/14/05/967051405.db2.gz WCRJWFWTPXNGTB-UHFFFAOYSA-N 0 1 419.485 3.636 20 5 HHBDMN Cc1cc(C(=O)NC2CCCC2)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000065223472 967410781 /nfs/dbraw/zinc/41/07/81/967410781.db2.gz CKLBKUVNKYZNKJ-UHFFFAOYSA-N 0 1 417.487 3.685 20 5 HHBDMN Cc1c(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000045942225 967603208 /nfs/dbraw/zinc/60/32/08/967603208.db2.gz VQCBPUWDEUMXPW-UHFFFAOYSA-N 0 1 410.474 3.970 20 5 HHBDMN C[C@H](NCC(=O)Nc1c(F)cc(F)cc1Br)c1cccc([N+](=O)[O-])c1 ZINC000538178053 1013737764 /nfs/dbraw/zinc/73/77/64/1013737764.db2.gz PCKFRYGFZGEWDZ-VIFPVBQESA-N 0 1 414.206 3.925 20 5 HHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000538181174 1013739745 /nfs/dbraw/zinc/73/97/45/1013739745.db2.gz SWVYLHHLPPPIBP-RDJZCZTQSA-N 0 1 402.344 3.757 20 5 HHBDMN Cc1c([C@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cnn1-c1ccc(F)cc1 ZINC000046359792 967763136 /nfs/dbraw/zinc/76/31/36/967763136.db2.gz CCSCRXUFOSCQEI-NSHDSACASA-N 0 1 408.393 3.595 20 5 HHBDMN COCCSc1ccc([C@@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000538204411 1013759096 /nfs/dbraw/zinc/75/90/96/1013759096.db2.gz FDRHMJDQHIPFCB-OAHLLOKOSA-N 0 1 403.504 3.931 20 5 HHBDMN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(OCC2CC2)c(F)c1 ZINC000538224163 1013773969 /nfs/dbraw/zinc/77/39/69/1013773969.db2.gz NZVDRQSLXNVCGM-AWEZNQCLSA-N 0 1 413.449 3.763 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC000047608577 968257068 /nfs/dbraw/zinc/25/70/68/968257068.db2.gz FFBQNYUAYZSMHC-KGLIPLIRSA-N 0 1 417.462 3.689 20 5 HHBDMN C[C@@H](OC[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(Cl)cc1 ZINC000047745356 968295414 /nfs/dbraw/zinc/29/54/14/968295414.db2.gz WUACVKXGHPHWRR-IIBYNOLFSA-N 0 1 419.909 3.509 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCC1 ZINC000048299515 968516377 /nfs/dbraw/zinc/51/63/77/968516377.db2.gz HWQNEXYPLAFHAD-IBGZPJMESA-N 0 1 408.458 3.652 20 5 HHBDMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000048305588 968517137 /nfs/dbraw/zinc/51/71/37/968517137.db2.gz VDAJSNNQABMGDP-UHFFFAOYSA-N 0 1 411.849 3.601 20 5 HHBDMN Cc1cc(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccc(C)cc2)n1 ZINC000538276860 1013815530 /nfs/dbraw/zinc/81/55/30/1013815530.db2.gz KWOIDFHTBXXHOQ-QGZVFWFLSA-N 0 1 407.474 3.995 20 5 HHBDMN Cc1ccc([C@H](C)NCCN2c3cccc4cccc(c34)S2(=O)=O)cc1[N+](=O)[O-] ZINC000538276157 1013815799 /nfs/dbraw/zinc/81/57/99/1013815799.db2.gz IDZDKJATYBWLCM-HNNXBMFYSA-N 0 1 411.483 3.916 20 5 HHBDMN Cc1nc(-c2ccc(C)cc2NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000538279670 1013817847 /nfs/dbraw/zinc/81/78/47/1013817847.db2.gz PETWHAXNCBNQGD-AWEZNQCLSA-N 0 1 408.462 3.594 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2Sc2nccn2C)c1C ZINC000072095891 968989341 /nfs/dbraw/zinc/98/93/41/968989341.db2.gz PXKSNHNVCIYMGZ-UHFFFAOYSA-N 0 1 418.500 3.897 20 5 HHBDMN CC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000554239088 1013867642 /nfs/dbraw/zinc/86/76/42/1013867642.db2.gz LAVNIKLFFNFBPT-LBPRGKRZSA-N 0 1 404.366 3.765 20 5 HHBDMN C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000108169466 969362854 /nfs/dbraw/zinc/36/28/54/969362854.db2.gz BAJUDSWHMVDNAB-JTQLQIEISA-N 0 1 403.236 3.595 20 5 HHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)ccc1Cl ZINC000109022212 969451248 /nfs/dbraw/zinc/45/12/48/969451248.db2.gz LMCZFHTZBOPHQU-INIZCTEOSA-N 0 1 422.850 3.777 20 5 HHBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000109499959 969525829 /nfs/dbraw/zinc/52/58/29/969525829.db2.gz SGFVRQBNBOAFFS-UHFFFAOYSA-N 0 1 419.478 3.609 20 5 HHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCCCCn2cccn2)CC1 ZINC000110791878 969723861 /nfs/dbraw/zinc/72/38/61/969723861.db2.gz QWGIWQZNMXLHJG-UHFFFAOYSA-N 0 1 411.428 3.803 20 5 HHBDMN CN(C)C(=O)Sc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000110905358 969738671 /nfs/dbraw/zinc/73/86/71/969738671.db2.gz SYSRTLXMMOVINB-UHFFFAOYSA-N 0 1 415.880 3.823 20 5 HHBDMN CN(C)C(=O)Sc1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000110905917 969739177 /nfs/dbraw/zinc/73/91/77/969739177.db2.gz MOEDAVLBDJVQCO-UHFFFAOYSA-N 0 1 415.880 3.823 20 5 HHBDMN COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc2c1 ZINC000215730330 970052666 /nfs/dbraw/zinc/05/26/66/970052666.db2.gz CXINZWCCUCGXHK-UHFFFAOYSA-N 0 1 414.399 3.541 20 5 HHBDMN CC(C)(C)C(=O)NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000236794488 970173212 /nfs/dbraw/zinc/17/32/12/970173212.db2.gz IGVBIFDUNBJEBU-UHFFFAOYSA-N 0 1 424.295 3.869 20 5 HHBDMN CC[C@@H](C)NC(=O)[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236889301 970185513 /nfs/dbraw/zinc/18/55/13/970185513.db2.gz VJNSVZPYQHXCNM-SJORKVTESA-N 0 1 421.501 3.840 20 5 HHBDMN C[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000237609083 970322074 /nfs/dbraw/zinc/32/20/74/970322074.db2.gz UASDTNADEZZAQI-INIZCTEOSA-N 0 1 421.501 3.840 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(Br)cc2F)c(F)c1 ZINC000323203330 972709445 /nfs/dbraw/zinc/70/94/45/972709445.db2.gz PTZJXNYTIQATTR-UHFFFAOYSA-N 0 1 411.155 3.575 20 5 HHBDMN CC(C)(NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000326530387 972743213 /nfs/dbraw/zinc/74/32/13/972743213.db2.gz HIPYIBSXYCQBKS-UHFFFAOYSA-N 0 1 417.256 3.710 20 5 HHBDMN Cc1ccc(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000410370736 973966220 /nfs/dbraw/zinc/96/62/20/973966220.db2.gz YJHKNPSABHHIHG-IAGOWNOFSA-N 0 1 412.490 3.834 20 5 HHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC000426261066 974354294 /nfs/dbraw/zinc/35/42/94/974354294.db2.gz NUXLZBFNEMEUSM-VHSXEESVSA-N 0 1 414.388 3.806 20 5 HHBDMN CCN(CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)CCC(F)(F)F ZINC000427204978 974977256 /nfs/dbraw/zinc/97/72/56/974977256.db2.gz QHKBOAMNEFKZKL-UHFFFAOYSA-N 0 1 401.307 3.618 20 5 HHBDMN COc1ccc(NC(=O)C2(NCc3ccc([N+](=O)[O-])cc3C)CCCC2)cc1OC ZINC000428369310 975688219 /nfs/dbraw/zinc/68/82/19/975688219.db2.gz IDNSNAWHZMFKDA-UHFFFAOYSA-N 0 1 413.474 3.962 20 5 HHBDMN COc1ccc(NC(=O)C2(NCc3ccc(C)c([N+](=O)[O-])c3)CCCC2)cc1OC ZINC000428385889 975707593 /nfs/dbraw/zinc/70/75/93/975707593.db2.gz BTEGCBTVXCHJTF-UHFFFAOYSA-N 0 1 413.474 3.962 20 5 HHBDMN O=C(CCCCC(=O)c1ccc(F)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000429110944 976392118 /nfs/dbraw/zinc/39/21/18/976392118.db2.gz CDUKEYCRCFNNPX-UHFFFAOYSA-N 0 1 411.393 3.901 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(c2ncccc2Cl)CC1 ZINC000429220049 976513081 /nfs/dbraw/zinc/51/30/81/976513081.db2.gz DTBFMRVFMVTUMS-UHFFFAOYSA-N 0 1 418.881 3.860 20 5 HHBDMN C/C=C/c1ccc(OC[C@@H](O)CNC(C)(C)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000429259217 976547779 /nfs/dbraw/zinc/54/77/79/976547779.db2.gz JMVBNOFNATYMDI-JZLODUJNSA-N 0 1 400.475 3.901 20 5 HHBDMN CC1(C)Cc2ccc(Br)cc2[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429275505 976561197 /nfs/dbraw/zinc/56/11/97/976561197.db2.gz QWMIGSMRUSURGL-QGZVFWFLSA-N 0 1 418.291 3.869 20 5 HHBDMN CC1(C)Cc2c(cccc2Br)[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429367262 976636420 /nfs/dbraw/zinc/63/64/20/976636420.db2.gz NCKUDILMBFACMG-KRWDZBQOSA-N 0 1 418.291 3.869 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCC(c3ccc(Br)c(C)c3)CC2)c1[N+](=O)[O-] ZINC000430023130 977278365 /nfs/dbraw/zinc/27/83/65/977278365.db2.gz WPZBWOAIGDBTRE-UHFFFAOYSA-N 0 1 421.295 3.971 20 5 HHBDMN COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000430108193 977322704 /nfs/dbraw/zinc/32/27/04/977322704.db2.gz VBKKCLBGRMJOJB-FQEVSTJZSA-N 0 1 406.385 3.513 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000431773014 978501223 /nfs/dbraw/zinc/50/12/23/978501223.db2.gz UJZQLTKVNKMZHS-MRXNPFEDSA-N 0 1 410.243 3.529 20 5 HHBDMN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nc(-c4ccncc4)n[nH]3)cc2[N+](=O)[O-])C1 ZINC000433109865 979077622 /nfs/dbraw/zinc/07/76/22/979077622.db2.gz MCFDTCJCEQNBEC-KBPBESRZSA-N 0 1 421.461 3.510 20 5 HHBDMN C[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000433166455 979112036 /nfs/dbraw/zinc/11/20/36/979112036.db2.gz FXRYSCFNFQGKBM-XOBRGWDASA-N 0 1 417.531 3.918 20 5 HHBDMN CC1(C)C[C@@H](Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433236103 979168165 /nfs/dbraw/zinc/16/81/65/979168165.db2.gz XARYVNHAXDIVBQ-RTWAWAEBSA-N 0 1 408.502 3.879 20 5 HHBDMN CC1(C)C[C@H](Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433236104 979168265 /nfs/dbraw/zinc/16/82/65/979168265.db2.gz XARYVNHAXDIVBQ-SFTDATJTSA-N 0 1 408.502 3.879 20 5 HHBDMN O=C(CN[C@@H](c1ccccc1)C1(CO)CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000433317416 979232402 /nfs/dbraw/zinc/23/24/02/979232402.db2.gz KYFVKPPWEVPWKN-IBGZPJMESA-N 0 1 403.866 3.680 20 5 HHBDMN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CCC(c4cnc[nH]4)CC3)cc2[N+](=O)[O-])C1 ZINC000434286916 980047281 /nfs/dbraw/zinc/04/72/81/980047281.db2.gz LFJBEZSTRHADNR-HZPDHXFCSA-N 0 1 411.506 3.820 20 5 HHBDMN COc1cccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000435668321 980979629 /nfs/dbraw/zinc/97/96/29/980979629.db2.gz XJSNNQSBLPYAIB-MRXNPFEDSA-N 0 1 403.504 3.868 20 5 HHBDMN COc1cccc(C(=O)Nc2cccc(CN3CCSCC3)c2C)c1[N+](=O)[O-] ZINC000435755431 981017469 /nfs/dbraw/zinc/01/74/69/981017469.db2.gz JOUVUUWDCNJVQG-UHFFFAOYSA-N 0 1 401.488 3.713 20 5 HHBDMN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436140503 981216552 /nfs/dbraw/zinc/21/65/52/981216552.db2.gz ROUPNWFGRFFEHI-KBPBESRZSA-N 0 1 413.468 3.810 20 5 HHBDMN Cn1c(=O)c2c3c(sc2nc1SCc1cc(O)ccc1[N+](=O)[O-])CCCC3 ZINC000436472881 981391787 /nfs/dbraw/zinc/39/17/87/981391787.db2.gz BLDUXDXPUKLVMW-UHFFFAOYSA-N 0 1 403.485 3.780 20 5 HHBDMN CN(C)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccc(F)cc1 ZINC000438012049 982523459 /nfs/dbraw/zinc/52/34/59/982523459.db2.gz LYHQRXMNNQYNFE-HXUWFJFHSA-N 0 1 400.454 3.711 20 5 HHBDMN COc1cc(C)ccc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000438787065 983070394 /nfs/dbraw/zinc/07/03/94/983070394.db2.gz RRJZMJLGJXNTNI-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN Cc1ccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1Br ZINC000438789892 983072301 /nfs/dbraw/zinc/07/23/01/983072301.db2.gz JWJZCGQHMCNNEG-UHFFFAOYSA-N 0 1 416.235 3.632 20 5 HHBDMN COCc1ccccc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000438816573 983090796 /nfs/dbraw/zinc/09/07/96/983090796.db2.gz WURUGLHFMDEAPK-UHFFFAOYSA-N 0 1 415.265 3.613 20 5 HHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(OCc2ccccn2)cc1 ZINC000439187793 983298901 /nfs/dbraw/zinc/29/89/01/983298901.db2.gz PBILPBMTLJOVJS-UHFFFAOYSA-N 0 1 416.397 3.606 20 5 HHBDMN COc1cc(CN2CCC([C@H]3CCCO3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000439267742 983339006 /nfs/dbraw/zinc/33/90/06/983339006.db2.gz AICUIXICSJBRNZ-MRXNPFEDSA-N 0 1 400.422 3.638 20 5 HHBDMN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN([C@H](C)c3ccccc3[N+](=O)[O-])C2)cc1 ZINC000439872739 983563894 /nfs/dbraw/zinc/56/38/94/983563894.db2.gz MSUJHMFGUSYCSS-QZTJIDSGSA-N 0 1 417.531 3.655 20 5 HHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000440188654 983675986 /nfs/dbraw/zinc/67/59/86/983675986.db2.gz NWHCEMWFFMNFFJ-KRWDZBQOSA-N 0 1 423.517 3.889 20 5 HHBDMN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000440737948 983878510 /nfs/dbraw/zinc/87/85/10/983878510.db2.gz TVQFHFHVAGJLRR-MRXNPFEDSA-N 0 1 400.822 3.867 20 5 HHBDMN COc1ccc([C@@H]2CCCN2CCOc2ccc(OC)cc2[N+](=O)[O-])c(OC)c1 ZINC000441249847 984138077 /nfs/dbraw/zinc/13/80/77/984138077.db2.gz PIKPECYYJFGFSF-SFHVURJKSA-N 0 1 402.447 3.837 20 5 HHBDMN Cc1ccc([C@@H](Cn2ccnc2)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000441386815 984223995 /nfs/dbraw/zinc/22/39/95/984223995.db2.gz XBIIFVNFNOGIAZ-FGZHOGPDSA-N 0 1 419.485 3.545 20 5 HHBDMN COc1ccc(OCCN2CCC[C@@H]2c2cccc3c2OCCO3)c([N+](=O)[O-])c1 ZINC000441499783 984289259 /nfs/dbraw/zinc/28/92/59/984289259.db2.gz LODUFKQRMISVAK-QGZVFWFLSA-N 0 1 400.431 3.591 20 5 HHBDMN COCCN1CCCN(C(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])CC1 ZINC000441825625 984479860 /nfs/dbraw/zinc/47/98/60/984479860.db2.gz PITIJQVJOXUBNJ-UHFFFAOYSA-N 0 1 415.515 3.540 20 5 HHBDMN Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(-c2nc(C3CC3)no2)c1 ZINC000442323264 984823680 /nfs/dbraw/zinc/82/36/80/984823680.db2.gz LAXFWLKNCPCBEB-UHFFFAOYSA-N 0 1 400.416 3.631 20 5 HHBDMN O=C(Nc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)C1CCCCC1 ZINC000442349556 984854871 /nfs/dbraw/zinc/85/48/71/984854871.db2.gz LETMDWZGTUEKCP-UHFFFAOYSA-N 0 1 403.460 3.914 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCc2ccccc2C1 ZINC000462257751 985244552 /nfs/dbraw/zinc/24/45/52/985244552.db2.gz QQWNKUIYKADOEQ-ZDUSSCGKSA-N 0 1 401.271 3.737 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1C ZINC000462325130 985315205 /nfs/dbraw/zinc/31/52/05/985315205.db2.gz FOTGWIVSKQUKCL-DNVCBOLYSA-N 0 1 423.560 3.635 20 5 HHBDMN C[C@H](COCc1ccccc1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462600163 985545050 /nfs/dbraw/zinc/54/50/50/985545050.db2.gz UNKNDBFCTSZAGL-LLVKDONJSA-N 0 1 419.286 3.785 20 5 HHBDMN C[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000462699767 985642167 /nfs/dbraw/zinc/64/21/67/985642167.db2.gz HICGMRUAIBMQIJ-VIFPVBQESA-N 0 1 423.249 3.787 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000443487409 985661971 /nfs/dbraw/zinc/66/19/71/985661971.db2.gz JYRYVLGISRLGOD-IINYFYTJSA-N 0 1 411.307 3.511 20 5 HHBDMN COC(=O)c1cccc(NC(=O)C[C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000468033051 985688477 /nfs/dbraw/zinc/68/84/77/985688477.db2.gz FZZHJOZIYPOCEH-GFCCVEGCSA-N 0 1 405.838 3.542 20 5 HHBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1CN(C)Cc1ccco1 ZINC000462889817 985816325 /nfs/dbraw/zinc/81/63/25/985816325.db2.gz VDBPCUOAUDYWSN-UHFFFAOYSA-N 0 1 408.458 3.792 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443656835 985854765 /nfs/dbraw/zinc/85/47/65/985854765.db2.gz MTKYDRDIYBLCDO-HNNXBMFYSA-N 0 1 419.865 3.739 20 5 HHBDMN COc1ccc(CN2CC[C@H](n3cccn3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000463034193 985993593 /nfs/dbraw/zinc/99/35/93/985993593.db2.gz MEVFUUVDIOXFNF-FQEVSTJZSA-N 0 1 408.458 3.826 20 5 HHBDMN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000443944542 986152315 /nfs/dbraw/zinc/15/23/15/986152315.db2.gz UXEVPTJGKVMENI-RDDDGLTNSA-N 0 1 419.219 3.613 20 5 HHBDMN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444002872 986201354 /nfs/dbraw/zinc/20/13/54/986201354.db2.gz KUNVVMFSAASUFR-ZIAGYGMSSA-N 0 1 413.468 3.952 20 5 HHBDMN CCN(CC)S(=O)(=O)c1ccc(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000468631060 986348091 /nfs/dbraw/zinc/34/80/91/986348091.db2.gz QFMFGGVWNHWGBZ-RVDMUPIBSA-N 0 1 423.560 3.880 20 5 HHBDMN CCc1[nH]nc(C(=O)N(C)[C@H](CC)Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000444362836 986541117 /nfs/dbraw/zinc/54/11/17/986541117.db2.gz HRBVBZKSQQKEDY-GFCCVEGCSA-N 0 1 409.284 3.736 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000444375152 986551283 /nfs/dbraw/zinc/55/12/83/986551283.db2.gz ZUQHNKDYOHUVET-ZDUSSCGKSA-N 0 1 414.409 3.829 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc(Cl)c(Br)c2)ccc1[N+](=O)[O-] ZINC000469041295 986751451 /nfs/dbraw/zinc/75/14/51/986751451.db2.gz RPGNSHSPXPYBIA-UHFFFAOYSA-N 0 1 421.656 3.820 20 5 HHBDMN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000444680444 986860808 /nfs/dbraw/zinc/86/08/08/986860808.db2.gz PDPAEAOCNNXGBV-AWEZNQCLSA-N 0 1 416.441 3.969 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(Br)cc1 ZINC000444743598 986909979 /nfs/dbraw/zinc/90/99/79/986909979.db2.gz JEUXNESTSMMAEZ-NSHDSACASA-N 0 1 408.252 3.655 20 5 HHBDMN O=C(NCC1(N2CCSCC2)CCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444861091 987017942 /nfs/dbraw/zinc/01/79/42/987017942.db2.gz ROMHGMLDZABWJC-UHFFFAOYSA-N 0 1 421.566 3.773 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469446008 987133076 /nfs/dbraw/zinc/13/30/76/987133076.db2.gz JQSKBTRLMBUZCQ-QGZVFWFLSA-N 0 1 404.413 3.792 20 5 HHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(=Cc3ccc(F)c(F)c3)CC2)c1 ZINC000469446318 987133092 /nfs/dbraw/zinc/13/30/92/987133092.db2.gz NDPPTXOFTWEHQR-SFHVURJKSA-N 0 1 404.413 3.792 20 5 HHBDMN COc1ccc(-c2cc(-c3nc(Cc4cc(OC)ccc4[N+](=O)[O-])no3)[nH]n2)cc1 ZINC000445581027 987646280 /nfs/dbraw/zinc/64/62/80/987646280.db2.gz WSPUPMKYBCTCQA-UHFFFAOYSA-N 0 1 407.386 3.643 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)N2CCCC2)cc1 ZINC000445584480 987650684 /nfs/dbraw/zinc/65/06/84/987650684.db2.gz SEYWJHQXLBPWFH-JOCHJYFZSA-N 0 1 424.501 3.508 20 5 HHBDMN COc1cc(Cc2noc(-c3cc(-c4ccc(C)cc4)n[nH]3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445821964 987888173 /nfs/dbraw/zinc/88/81/73/987888173.db2.gz NJOOZLQVEUEVQC-UHFFFAOYSA-N 0 1 421.413 3.951 20 5 HHBDMN CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000463910396 988019278 /nfs/dbraw/zinc/01/92/78/988019278.db2.gz MAJXGHRMCRRFKK-LSDHHAIUSA-N 0 1 419.503 3.950 20 5 HHBDMN COc1cccc([C@H]2[C@H](NC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000470117340 988019821 /nfs/dbraw/zinc/01/98/21/988019821.db2.gz ZEPUGWDLURGAIK-UXHICEINSA-N 0 1 414.437 3.842 20 5 HHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000470179109 988095424 /nfs/dbraw/zinc/09/54/24/988095424.db2.gz SEWAHDRPFIIHSK-UNOMPAQXSA-N 0 1 406.486 3.737 20 5 HHBDMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1ccc([N+](=O)[O-])cc1Br ZINC000464200616 988319889 /nfs/dbraw/zinc/31/98/89/988319889.db2.gz SZFFQRRWOZTUCS-UHFFFAOYSA-N 0 1 419.235 3.529 20 5 HHBDMN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCN2CCC1CC2 ZINC000470844324 988921530 /nfs/dbraw/zinc/92/15/30/988921530.db2.gz KLOKPMBKQFMJKR-UHFFFAOYSA-N 0 1 401.850 3.961 20 5 HHBDMN CCSCC[C@H](C)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000464856034 989109185 /nfs/dbraw/zinc/10/91/85/989109185.db2.gz RHTHCBTVXAVEBV-NSHDSACASA-N 0 1 404.330 3.759 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cc(F)c(Br)cc2C)ccc1[N+](=O)[O-] ZINC000471952932 990117784 /nfs/dbraw/zinc/11/77/84/990117784.db2.gz OTFYRKUNZOMGIX-UHFFFAOYSA-N 0 1 419.228 3.614 20 5 HHBDMN COCCC1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000472325365 993335613 /nfs/dbraw/zinc/33/56/13/993335613.db2.gz IBWVBIDUFIFCCR-UHFFFAOYSA-N 0 1 411.307 3.777 20 5 HHBDMN Cc1cc(N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000472501331 993500171 /nfs/dbraw/zinc/50/01/71/993500171.db2.gz PCRWLQRBTWNCLH-INIZCTEOSA-N 0 1 418.432 3.698 20 5 HHBDMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000480733521 993599307 /nfs/dbraw/zinc/59/93/07/993599307.db2.gz BATWVGYFBOUJTB-ICSRJNTNSA-N 0 1 415.515 3.517 20 5 HHBDMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000480737481 993603574 /nfs/dbraw/zinc/60/35/74/993603574.db2.gz IQTHAKYOSULNKN-RDJZCZTQSA-N 0 1 421.906 3.553 20 5 HHBDMN Cc1c(NC(=O)CCN2CCN(c3cncc4ccccc43)CC2)cccc1[N+](=O)[O-] ZINC000472760186 993699154 /nfs/dbraw/zinc/69/91/54/993699154.db2.gz SHGQYKSDPBOURG-UHFFFAOYSA-N 0 1 419.485 3.602 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CCN([C@H](C)c3ccccc3)CC2)c1C ZINC000480964621 993804851 /nfs/dbraw/zinc/80/48/51/993804851.db2.gz RXHTWVLBZLJBQT-QGZVFWFLSA-N 0 1 417.531 3.716 20 5 HHBDMN Cc1cc(N2CCC(CCN3CCOCC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000473529227 994386733 /nfs/dbraw/zinc/38/67/33/994386733.db2.gz VEHMCODIWMBFPU-UHFFFAOYSA-N 0 1 412.328 3.604 20 5 HHBDMN COc1cc(OC)c(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1Cl ZINC000481975813 994868786 /nfs/dbraw/zinc/86/87/86/994868786.db2.gz UAHIYIAMNYOFDJ-UHFFFAOYSA-N 0 1 400.840 3.683 20 5 HHBDMN CC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482002420 994903858 /nfs/dbraw/zinc/90/38/58/994903858.db2.gz XQBDMEXRVIPFBU-INIZCTEOSA-N 0 1 411.911 3.706 20 5 HHBDMN CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475311750 996062094 /nfs/dbraw/zinc/06/20/94/996062094.db2.gz KPORWDZXQFKWAS-MRXNPFEDSA-N 0 1 418.291 3.704 20 5 HHBDMN CS(=O)(=O)C1(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000475449050 996147457 /nfs/dbraw/zinc/14/74/57/996147457.db2.gz WYSUWWJCZUHACP-UHFFFAOYSA-N 0 1 410.879 3.707 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1SC ZINC000483470788 996200929 /nfs/dbraw/zinc/20/09/29/996200929.db2.gz PFRJYCBRBLSAIE-GDBMZVCRSA-N 0 1 415.515 3.891 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(F)cc(NCC(F)(F)F)c1 ZINC000475811957 996386478 /nfs/dbraw/zinc/38/64/78/996386478.db2.gz RININMKWCZZGPT-UHFFFAOYSA-N 0 1 407.345 3.817 20 5 HHBDMN Cc1c(Br)cccc1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000483814864 996405892 /nfs/dbraw/zinc/40/58/92/996405892.db2.gz GKTISQUVXQFJGS-UHFFFAOYSA-N 0 1 416.235 3.632 20 5 HHBDMN O=C(NCc1ccccc1F)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000475992695 996522726 /nfs/dbraw/zinc/52/27/26/996522726.db2.gz YXAMFWBZPSBSAP-UHFFFAOYSA-N 0 1 409.373 3.622 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000484112306 996577276 /nfs/dbraw/zinc/57/72/76/996577276.db2.gz SRJKXMXYMFAZEZ-UHFFFAOYSA-N 0 1 409.427 3.642 20 5 HHBDMN Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000476268067 996719172 /nfs/dbraw/zinc/71/91/72/996719172.db2.gz CVNJOXNHRIXHKK-SFHVURJKSA-N 0 1 410.430 3.592 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(F)c2)ccc1[N+](=O)[O-] ZINC000476408934 996868424 /nfs/dbraw/zinc/86/84/24/996868424.db2.gz STOVEEIGEQTMGL-UHFFFAOYSA-N 0 1 417.418 3.817 20 5 HHBDMN O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476519298 997008419 /nfs/dbraw/zinc/00/84/19/997008419.db2.gz DPFXGWCWCLIFTL-UHFFFAOYSA-N 0 1 412.423 3.527 20 5 HHBDMN CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000484764478 997107090 /nfs/dbraw/zinc/10/70/90/997107090.db2.gz JHNIJLUXEQXRME-OAQYLSRUSA-N 0 1 420.437 3.709 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)[nH]c2c1 ZINC000484789236 997139475 /nfs/dbraw/zinc/13/94/75/997139475.db2.gz KCIBHHOSRSPJJL-HXUWFJFHSA-N 0 1 416.441 3.943 20 5 HHBDMN CCc1[nH]nc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c1[N+](=O)[O-] ZINC000485362881 997787455 /nfs/dbraw/zinc/78/74/55/997787455.db2.gz NPLKIYXMHSEYQZ-UHFFFAOYSA-N 0 1 408.393 3.739 20 5 HHBDMN Cc1cc(Br)cc(C)c1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000477242229 997916001 /nfs/dbraw/zinc/91/60/01/997916001.db2.gz HEUZLCHAUAYXJL-UHFFFAOYSA-N 0 1 417.256 3.592 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)N1CCCCC1 ZINC000477454049 998161680 /nfs/dbraw/zinc/16/16/80/998161680.db2.gz GVVURHMBSKKQSX-HXUWFJFHSA-N 0 1 415.465 3.628 20 5 HHBDMN COc1ccc([C@H](CNC(=O)c2cccc(SC)c2[N+](=O)[O-])N2CCCC2)cc1 ZINC000485748105 998219496 /nfs/dbraw/zinc/21/94/96/998219496.db2.gz ITAPBSAEEHWSGG-SFHVURJKSA-N 0 1 415.515 3.892 20 5 HHBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])c1 ZINC000485841424 998306713 /nfs/dbraw/zinc/30/67/13/998306713.db2.gz AJCDXLQTSVCOKF-LBPRGKRZSA-N 0 1 400.460 3.893 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)C[C@@H](C)O1 ZINC000486156753 998606311 /nfs/dbraw/zinc/60/63/11/998606311.db2.gz LMGNXDKPMPCVKA-HZPDHXFCSA-N 0 1 423.473 3.866 20 5 HHBDMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000486561994 998826892 /nfs/dbraw/zinc/82/68/92/998826892.db2.gz FOJDKYHWMRDSHH-UHFFFAOYSA-N 0 1 422.850 3.552 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1CN1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486833556 998962987 /nfs/dbraw/zinc/96/29/87/998962987.db2.gz QECABDILBSKBQU-QVKFZJNVSA-N 0 1 409.421 3.733 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)cc2-c2cnn(C)c2)c1C ZINC000478679483 999084866 /nfs/dbraw/zinc/08/48/66/999084866.db2.gz JOHPHMGMGNSKLH-UHFFFAOYSA-N 0 1 404.423 3.552 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(F)cc2-c2cnn(C)c2)c1 ZINC000478702296 999096696 /nfs/dbraw/zinc/09/66/96/999096696.db2.gz WMEYCKGGAUHTDW-UHFFFAOYSA-N 0 1 404.423 3.552 20 5 HHBDMN CC(C)(NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000487532256 999208555 /nfs/dbraw/zinc/20/85/55/999208555.db2.gz ZEPRTJYZPLAIRR-SFHVURJKSA-N 0 1 400.479 3.949 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000488281539 999422368 /nfs/dbraw/zinc/42/23/68/999422368.db2.gz PNSPIPGFRFZVLO-UHFFFAOYSA-N 0 1 410.423 3.772 20 5 HHBDMN CC(C)(C)[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000479488459 999440286 /nfs/dbraw/zinc/44/02/86/999440286.db2.gz QDVXJVVLGRHKEC-MFKMUULPSA-N 0 1 411.307 3.774 20 5 HHBDMN COC(=O)c1sc2ccccc2c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488715317 999585361 /nfs/dbraw/zinc/58/53/61/999585361.db2.gz AWHBGGWKGVNDCE-UHFFFAOYSA-N 0 1 400.460 3.630 20 5 HHBDMN C[C@@H](NC(=O)[C@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc2ccccc2c1 ZINC000489002656 999669113 /nfs/dbraw/zinc/66/91/13/999669113.db2.gz AKFDABZGWYRKIH-SJORKVTESA-N 0 1 421.501 3.847 20 5 HHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC000489213641 999723837 /nfs/dbraw/zinc/72/38/37/999723837.db2.gz ICWMONLOILEIKX-ILXRZTDVSA-N 0 1 414.510 3.954 20 5 HHBDMN COc1ccccc1[C@H](CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)N(C)C ZINC000489318162 999744881 /nfs/dbraw/zinc/74/48/81/999744881.db2.gz YIGQHNLSFBLKFY-IBGZPJMESA-N 0 1 407.474 3.506 20 5 HHBDMN Cc1ccc(C[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000489489830 999777235 /nfs/dbraw/zinc/77/72/35/999777235.db2.gz XUAUZDBJADQZHI-UHFFFAOYSA-N 0 1 403.504 3.917 20 5 HHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000489551427 999790471 /nfs/dbraw/zinc/79/04/71/999790471.db2.gz ORLYQBYUHWXWDV-UHFFFAOYSA-N 0 1 423.517 3.852 20 5 HHBDMN COc1cccc(C(=O)NCCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000490129848 999897398 /nfs/dbraw/zinc/89/73/98/999897398.db2.gz HRFLWFGLUBRHJC-QFIPXVFZSA-N 0 1 405.454 3.712 20 5 HHBDMN CS(=O)(=O)Nc1ccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000490184617 999906743 /nfs/dbraw/zinc/90/67/43/999906743.db2.gz MJCYNDFQMDYZKH-OAQYLSRUSA-N 0 1 411.483 3.846 20 5 HHBDMN O=C(CCCOc1ccc(Cl)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490341275 999940502 /nfs/dbraw/zinc/94/05/02/999940502.db2.gz DWDQANMXBTVKCT-UHFFFAOYSA-N 0 1 401.810 3.831 20 5 HHBDMN COc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccc1OCC(C)C ZINC000490400437 999951576 /nfs/dbraw/zinc/95/15/76/999951576.db2.gz RBTMVKGJHXPXIE-UHFFFAOYSA-N 0 1 411.418 3.676 20 5 HHBDMN COc1cc(CNCCn2c(C)nc3ccccc32)c([N+](=O)[O-])cc1OCC(F)F ZINC000491060150 1000040915 /nfs/dbraw/zinc/04/09/15/1000040915.db2.gz NADHBJKGIZXSOB-UHFFFAOYSA-N 0 1 420.416 3.695 20 5 HHBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000491720254 1000093119 /nfs/dbraw/zinc/09/31/19/1000093119.db2.gz MPQFQLYQTRFXRJ-UHFFFAOYSA-N 0 1 423.454 3.951 20 5 HHBDMN CN(C)[C@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccs1 ZINC000491962788 1000102666 /nfs/dbraw/zinc/10/26/66/1000102666.db2.gz WZIXRICZIFDZTC-CQSZACIVSA-N 0 1 416.425 3.777 20 5 HHBDMN COc1ccc([C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC000492024080 1000105436 /nfs/dbraw/zinc/10/54/36/1000105436.db2.gz VAVOZZORVMZZBT-MRXNPFEDSA-N 0 1 420.347 3.865 20 5 HHBDMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000493972938 1000246327 /nfs/dbraw/zinc/24/63/27/1000246327.db2.gz FIEPPHOYTSJCJT-QGZVFWFLSA-N 0 1 408.483 3.723 20 5 HHBDMN CCOc1ccc([C@@H](C)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1[N+](=O)[O-] ZINC000504894044 1000433169 /nfs/dbraw/zinc/43/31/69/1000433169.db2.gz JPHFFFWGROGVAA-IXDOHACOSA-N 0 1 414.506 3.853 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(c1ccccc1)C1CCN(CC)CC1 ZINC000494449597 1000497967 /nfs/dbraw/zinc/49/79/67/1000497967.db2.gz CUVUGPQSGIHXPF-UHFFFAOYSA-N 0 1 417.531 3.837 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494474350 1000511755 /nfs/dbraw/zinc/51/17/55/1000511755.db2.gz MHLPEOFOBPOFFS-PKOBYXMFSA-N 0 1 407.829 3.754 20 5 HHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nc(-c4ccncc4)no3)cc2)c1 ZINC000505043654 1000522206 /nfs/dbraw/zinc/52/22/06/1000522206.db2.gz FXESDLXDJBOWEQ-UHFFFAOYSA-N 0 1 423.410 3.508 20 5 HHBDMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494495176 1000523512 /nfs/dbraw/zinc/52/35/12/1000523512.db2.gz MKZPJCSEPWVLNK-FJNPEDAXSA-N 0 1 407.829 3.834 20 5 HHBDMN COc1ccc(CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C2CC2)cc1 ZINC000505564097 1000907200 /nfs/dbraw/zinc/90/72/00/1000907200.db2.gz KXUISPWORYXARJ-INIZCTEOSA-N 0 1 409.486 3.793 20 5 HHBDMN COC(=O)C1CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000505853855 1001062093 /nfs/dbraw/zinc/06/20/93/1001062093.db2.gz VUQHWKUJNHRCDB-UHFFFAOYSA-N 0 1 414.458 3.567 20 5 HHBDMN Cn1cc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506008447 1001158705 /nfs/dbraw/zinc/15/87/05/1001158705.db2.gz CABSMYYOMSGLIL-LJQANCHMSA-N 0 1 423.473 3.545 20 5 HHBDMN CCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)n[nH]1 ZINC000496614813 1001205651 /nfs/dbraw/zinc/20/56/51/1001205651.db2.gz KOLZXIMOCGMVSY-LBPRGKRZSA-N 0 1 411.418 3.567 20 5 HHBDMN O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000506186315 1001267092 /nfs/dbraw/zinc/26/70/92/1001267092.db2.gz FKKCVRVVIYBSSD-UHFFFAOYSA-N 0 1 406.398 3.874 20 5 HHBDMN COc1cc(CN(C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000497201204 1001280426 /nfs/dbraw/zinc/28/04/26/1001280426.db2.gz VDADHYPJXONEAP-IUODEOHRSA-N 0 1 406.401 3.527 20 5 HHBDMN CN(C)C(=O)[C@H]1CCCN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506248782 1001306110 /nfs/dbraw/zinc/30/61/10/1001306110.db2.gz YJNPOSKDXBRJNN-OAQYLSRUSA-N 0 1 419.485 3.500 20 5 HHBDMN C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CN(C)C[C@@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000497404409 1001341814 /nfs/dbraw/zinc/34/18/14/1001341814.db2.gz WFVYIBIGBRAOLX-UIFIKXQLSA-N 0 1 422.529 3.659 20 5 HHBDMN COc1ccc(CCCN(C)[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000497455482 1001375013 /nfs/dbraw/zinc/37/50/13/1001375013.db2.gz HMXFATKKTDXYEO-HNNXBMFYSA-N 0 1 401.463 3.504 20 5 HHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000506359131 1001376306 /nfs/dbraw/zinc/37/63/06/1001376306.db2.gz WPWIKXOIGPBTFZ-UHFFFAOYSA-N 0 1 410.455 3.839 20 5 HHBDMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000506379899 1001387281 /nfs/dbraw/zinc/38/72/81/1001387281.db2.gz TXINZKWPWWTAPJ-NRFANRHFSA-N 0 1 409.449 3.513 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000497691338 1001486438 /nfs/dbraw/zinc/48/64/38/1001486438.db2.gz OICBKWIYLDZYGB-KRWDZBQOSA-N 0 1 408.886 3.766 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)N1CCCC1 ZINC000497773664 1001510591 /nfs/dbraw/zinc/51/05/91/1001510591.db2.gz LQBYZXZRJZPAMT-FQEVSTJZSA-N 0 1 420.469 3.719 20 5 HHBDMN CCN([C@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000497981855 1001589654 /nfs/dbraw/zinc/58/96/54/1001589654.db2.gz FGRZVEINWOKWFZ-YJBOKZPZSA-N 0 1 421.494 3.580 20 5 HHBDMN O=C(c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)N1CCc2ccccc21 ZINC000498409389 1001837385 /nfs/dbraw/zinc/83/73/85/1001837385.db2.gz NORUIJQDXHMFLW-UHFFFAOYSA-N 0 1 423.450 3.599 20 5 HHBDMN Cc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000507301850 1001984334 /nfs/dbraw/zinc/98/43/34/1001984334.db2.gz HZAVFTJDWDCFCM-GOSISDBHSA-N 0 1 421.457 3.505 20 5 HHBDMN 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Cc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc(C)c1OC(F)F ZINC000517408919 1007634162 /nfs/dbraw/zinc/63/41/62/1007634162.db2.gz LLCOEDRSYVOYLL-UHFFFAOYSA-N 0 1 403.345 3.850 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(c2ccc(F)cc2F)CCC1 ZINC000539359092 1007660016 /nfs/dbraw/zinc/66/00/16/1007660016.db2.gz MNOUCXZUFUXDSS-UHFFFAOYSA-N 0 1 405.401 3.879 20 5 HHBDMN Cc1ccc([C@H](CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000539474798 1007785643 /nfs/dbraw/zinc/78/56/43/1007785643.db2.gz KIPNKRPQFLYBRA-SFHVURJKSA-N 0 1 401.463 3.527 20 5 HHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000539686239 1008006333 /nfs/dbraw/zinc/00/63/33/1008006333.db2.gz KKGNVJRPZFIQPW-UHFFFAOYSA-N 0 1 421.563 3.671 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000539718367 1008037984 /nfs/dbraw/zinc/03/79/84/1008037984.db2.gz SKSSXLBGURGOEG-MRXNPFEDSA-N 0 1 408.418 3.758 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000539718367 1008038015 /nfs/dbraw/zinc/03/80/15/1008038015.db2.gz SKSSXLBGURGOEG-MRXNPFEDSA-N 0 1 408.418 3.758 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cc(F)c(F)cc1Br ZINC000536079723 1008105860 /nfs/dbraw/zinc/10/58/60/1008105860.db2.gz ASOHLKMIRYWJAN-UHFFFAOYSA-N 0 1 411.155 3.575 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000539853096 1008142113 /nfs/dbraw/zinc/14/21/13/1008142113.db2.gz CFJAZJVFIFOSII-UHFFFAOYSA-N 0 1 421.475 3.527 20 5 HHBDMN CCOc1cccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000518188338 1008199889 /nfs/dbraw/zinc/19/98/89/1008199889.db2.gz FYZYYCQUYVUSKH-UHFFFAOYSA-N 0 1 401.238 3.557 20 5 HHBDMN Cc1nc2ccccc2n1CCCCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000518272299 1008235061 /nfs/dbraw/zinc/23/50/61/1008235061.db2.gz RUKAOSJDEVBKJX-UHFFFAOYSA-N 0 1 408.506 3.640 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC000518602825 1008361746 /nfs/dbraw/zinc/36/17/46/1008361746.db2.gz NXIVOCSGANLTOT-OAHLLOKOSA-N 0 1 415.471 3.999 20 5 HHBDMN Cc1c([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1-c1ccc(F)cc1 ZINC000540467474 1008442767 /nfs/dbraw/zinc/44/27/67/1008442767.db2.gz KTFRPEBMMQXLJR-CQSZACIVSA-N 0 1 411.437 3.826 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cccc3c2CN(CCC(C)C)C3)ccc1[N+](=O)[O-] ZINC000543147637 1008721339 /nfs/dbraw/zinc/72/13/39/1008721339.db2.gz ZLWLVGWXXOAIGK-UHFFFAOYSA-N 0 1 419.503 3.766 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000543184240 1008758156 /nfs/dbraw/zinc/75/81/56/1008758156.db2.gz ZLHBHVSAGXGDGW-LSDHHAIUSA-N 0 1 402.344 3.757 20 5 HHBDMN CN(c1ccccc1)c1ccc(CN2CCOCC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000543394452 1008985268 /nfs/dbraw/zinc/98/52/68/1008985268.db2.gz SNHMMFBBCLSKEU-UHFFFAOYSA-N 0 1 411.502 3.992 20 5 HHBDMN CCc1ccc([C@H](NCCCNC(=O)c2cccc(O)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543401877 1008994102 /nfs/dbraw/zinc/99/41/02/1008994102.db2.gz XBMKETDYDHQPFC-JOCHJYFZSA-N 0 1 423.469 3.955 20 5 HHBDMN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000546070216 1009093277 /nfs/dbraw/zinc/09/32/77/1009093277.db2.gz ZTFZBGWELCHCJZ-KRWDZBQOSA-N 0 1 420.878 3.791 20 5 HHBDMN C[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 ZINC000549535659 1009150244 /nfs/dbraw/zinc/15/02/44/1009150244.db2.gz IWFOBPXLSAATHY-JTQLQIEISA-N 0 1 409.236 3.685 20 5 HHBDMN C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 ZINC000549535660 1009150478 /nfs/dbraw/zinc/15/04/78/1009150478.db2.gz IWFOBPXLSAATHY-SNVBAGLBSA-N 0 1 409.236 3.685 20 5 HHBDMN Cc1nc(C(C)(C)C)sc1[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543598501 1009203407 /nfs/dbraw/zinc/20/34/07/1009203407.db2.gz DSQFVFRAVXZTDO-GFCCVEGCSA-N 0 1 411.549 3.782 20 5 HHBDMN COc1ccc(S(=O)(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c(Cl)c1Cl ZINC000543855767 1009421554 /nfs/dbraw/zinc/42/15/54/1009421554.db2.gz OXZFWNRCGKEILH-UHFFFAOYSA-N 0 1 407.231 3.720 20 5 HHBDMN Cc1csc(Sc2ccc(C(=O)N(C)[C@H]3CN4CCC3CC4)cc2[N+](=O)[O-])n1 ZINC000520371483 1009508121 /nfs/dbraw/zinc/50/81/21/1009508121.db2.gz TXLUYKASRIQGSV-INIZCTEOSA-N 0 1 418.544 3.677 20 5 HHBDMN COc1cc(OCC(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)ccc1[N+](=O)[O-] ZINC000520610632 1009685925 /nfs/dbraw/zinc/68/59/25/1009685925.db2.gz LAVPRJNLLBUSMU-UHFFFAOYSA-N 0 1 419.397 3.559 20 5 HHBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000520665677 1009735715 /nfs/dbraw/zinc/73/57/15/1009735715.db2.gz ZHCPYQZWKRIAKU-LBPRGKRZSA-N 0 1 402.394 3.738 20 5 HHBDMN COc1ccc(CN[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000550291360 1009837224 /nfs/dbraw/zinc/83/72/24/1009837224.db2.gz BOVOQHCHKGHGBV-RDTXWAMCSA-N 0 1 401.438 3.584 20 5 HHBDMN Cc1sc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc1-c1ccc(Cl)cc1 ZINC000544471618 1010094838 /nfs/dbraw/zinc/09/48/38/1010094838.db2.gz XAGFWMMNQYTBCN-MEDUHNTESA-N 0 1 421.910 3.588 20 5 HHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000550699160 1010110731 /nfs/dbraw/zinc/11/07/31/1010110731.db2.gz OUTNEJFJPXKPJA-ROUUACIJSA-N 0 1 418.291 3.841 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)N2CCCC2)cc1 ZINC000544532687 1010161430 /nfs/dbraw/zinc/16/14/30/1010161430.db2.gz LCVFZYVPBZHUNU-QVKFZJNVSA-N 0 1 415.465 3.799 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000544607780 1010234744 /nfs/dbraw/zinc/23/47/44/1010234744.db2.gz DWAIHOQTNDANHR-INIZCTEOSA-N 0 1 417.531 3.614 20 5 HHBDMN CSc1ccc(C(=O)c2ccccc2C(=O)NCc2cn[nH]c2C)cc1[N+](=O)[O-] ZINC000548302122 1010587185 /nfs/dbraw/zinc/58/71/85/1010587185.db2.gz HKCGNEGGVBTXRB-UHFFFAOYSA-N 0 1 410.455 3.509 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000521839400 1010651174 /nfs/dbraw/zinc/65/11/74/1010651174.db2.gz XWFPNOGRYZPCDK-HNAYVOBHSA-N 0 1 413.474 3.848 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000521839398 1010651229 /nfs/dbraw/zinc/65/12/29/1010651229.db2.gz XWFPNOGRYZPCDK-BEFAXECRSA-N 0 1 413.474 3.848 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000522363006 1010958248 /nfs/dbraw/zinc/95/82/48/1010958248.db2.gz MIHNVTRAGGLPLK-OAHLLOKOSA-N 0 1 417.487 3.719 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)ccc1[N+](=O)[O-] ZINC000522440384 1011013741 /nfs/dbraw/zinc/01/37/41/1011013741.db2.gz LAFUWSYHJXYIMM-UHFFFAOYSA-N 0 1 403.382 3.789 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@@H](O)C[C@H]3c3ccc(F)c(F)c3)o2)c1 ZINC000536239993 1011393404 /nfs/dbraw/zinc/39/34/04/1011393404.db2.gz PPYXJQVXPUSCAF-LPHOPBHVSA-N 0 1 415.396 3.878 20 5 HHBDMN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000540850798 1011516295 /nfs/dbraw/zinc/51/62/95/1011516295.db2.gz DRYRSTLBINDSRZ-KRWDZBQOSA-N 0 1 421.457 3.555 20 5 HHBDMN O=[N+]([O-])c1c(N2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)nc2sccn21 ZINC000540862009 1011530965 /nfs/dbraw/zinc/53/09/65/1011530965.db2.gz FEJDIKNQJURKRG-ZDUSSCGKSA-N 0 1 401.496 3.854 20 5 HHBDMN O=[N+]([O-])c1c(N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)nc2sccn21 ZINC000540862009 1011530977 /nfs/dbraw/zinc/53/09/77/1011530977.db2.gz FEJDIKNQJURKRG-ZDUSSCGKSA-N 0 1 401.496 3.854 20 5 HHBDMN Cc1[nH]c(SCC(=O)NCCc2cccc([N+](=O)[O-])c2)nc1Cc1ccccc1 ZINC000536352103 1011558599 /nfs/dbraw/zinc/55/85/99/1011558599.db2.gz ASYLXPXZNAELNI-UHFFFAOYSA-N 0 1 410.499 3.668 20 5 HHBDMN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000541070078 1011709526 /nfs/dbraw/zinc/70/95/26/1011709526.db2.gz CFOHVSRINALNIX-UHFFFAOYSA-N 0 1 417.365 3.763 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])[nH]c2c1 ZINC000523491623 1012009737 /nfs/dbraw/zinc/00/97/37/1012009737.db2.gz KMYDRHGQHSOCSC-INIZCTEOSA-N 0 1 400.460 3.614 20 5 HHBDMN Cc1c([C@H](C)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000536806106 1012028613 /nfs/dbraw/zinc/02/86/13/1012028613.db2.gz MMRFUFQXPNDXDV-KRWDZBQOSA-N 0 1 417.531 3.929 20 5 HHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n[nH]1 ZINC000552202562 1012216234 /nfs/dbraw/zinc/21/62/34/1012216234.db2.gz BWTGOGNGSMHORX-WCBMZHEXSA-N 0 1 410.272 3.788 20 5 HHBDMN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000552416321 1012432414 /nfs/dbraw/zinc/43/24/14/1012432414.db2.gz RLTHUYYWWDBIIL-OAHLLOKOSA-N 0 1 416.235 3.510 20 5 HHBDMN COc1cc(F)c([C@@H](C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000537087800 1012442333 /nfs/dbraw/zinc/44/23/33/1012442333.db2.gz HRNRYIYRTGCNSC-CYBMUJFWSA-N 0 1 405.426 3.739 20 5 HHBDMN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000537108115 1012478551 /nfs/dbraw/zinc/47/85/51/1012478551.db2.gz CUJVJTQADJVUQO-CVEARBPZSA-N 0 1 410.474 3.708 20 5 HHBDMN C[C@@H]1N(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCC12CCOCC2 ZINC000541728089 1012579263 /nfs/dbraw/zinc/57/92/63/1012579263.db2.gz QNLXOBZQIUXCHJ-AWEZNQCLSA-N 0 1 416.503 3.548 20 5 HHBDMN Cc1c(Cl)cccc1N1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000552623386 1012625737 /nfs/dbraw/zinc/62/57/37/1012625737.db2.gz MFQUNUHVCZYGIA-UHFFFAOYSA-N 0 1 413.865 3.785 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000541762811 1012626467 /nfs/dbraw/zinc/62/64/67/1012626467.db2.gz KFOGZZIRFDEOLI-UHFFFAOYSA-N 0 1 422.812 3.831 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN2CCN3CCOC[C@H]3C2)cc1 ZINC000541763844 1012627409 /nfs/dbraw/zinc/62/74/09/1012627409.db2.gz XTYNSSJUAFBFIJ-QGZVFWFLSA-N 0 1 403.866 3.557 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc(CN3CCSCC3)c2)c1 ZINC000537273101 1012727697 /nfs/dbraw/zinc/72/76/97/1012727697.db2.gz KQDPPOZKVVOMPL-UHFFFAOYSA-N 0 1 415.515 3.860 20 5 HHBDMN CC(=O)c1ccc(NCc2n[nH]c(-c3ccc(Br)cc3)n2)c([N+](=O)[O-])c1 ZINC000524220989 1013029447 /nfs/dbraw/zinc/02/94/47/1013029447.db2.gz OSPWZMMEJMNELW-UHFFFAOYSA-N 0 1 416.235 3.957 20 5 HHBDMN CC(=O)c1ccc(NCc2nc(-c3ccc(Br)cc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000524220989 1013029461 /nfs/dbraw/zinc/02/94/61/1013029461.db2.gz OSPWZMMEJMNELW-UHFFFAOYSA-N 0 1 416.235 3.957 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)cc1[N+](=O)[O-] ZINC000488220277 1072134737 /nfs/dbraw/zinc/13/47/37/1072134737.db2.gz NQTYHDFARPVBGF-UHFFFAOYSA-N 0 1 409.420 3.667 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc(SC)c(Cl)c2)cc1[N+](=O)[O-] ZINC000488232318 1072141709 /nfs/dbraw/zinc/14/17/09/1072141709.db2.gz LXHOHZJRNAROSZ-UHFFFAOYSA-N 0 1 406.844 3.919 20 5 HHBDMN CSc1ccccc1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000760333858 1072259742 /nfs/dbraw/zinc/25/97/42/1072259742.db2.gz ATSVOHWSCRJKLW-UHFFFAOYSA-N 0 1 403.279 3.880 20 5 HHBDMN CCN1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000571227943 1072587952 /nfs/dbraw/zinc/58/79/52/1072587952.db2.gz JLVBGZMGEKIFLW-UZLBHIALSA-N 0 1 419.407 3.814 20 5 HHBDMN CC[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N(C)Cc1ccccc1 ZINC000555053132 1073117705 /nfs/dbraw/zinc/11/77/05/1073117705.db2.gz OFHYKYJQDQSEPZ-JOCHJYFZSA-N 0 1 411.502 3.875 20 5 HHBDMN NC(=O)C1(c2ccccc2)CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000590161731 1073602642 /nfs/dbraw/zinc/60/26/42/1073602642.db2.gz PSQTWUYKGAZNJX-UHFFFAOYSA-N 0 1 407.392 3.633 20 5 HHBDMN O=C(CSc1nc(C=Cc2ccccc2)n[nH]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000591374725 1074272585 /nfs/dbraw/zinc/27/25/85/1074272585.db2.gz YSBQSDXIWCYGKV-TWGQIWQCSA-N 0 1 407.455 3.565 20 5 HHBDMN CN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)[C@@H]1c1ccccc1 ZINC000760852633 1074452273 /nfs/dbraw/zinc/45/22/73/1074452273.db2.gz JRZXDEBWEBQVSQ-YOEHRIQHSA-N 0 1 404.264 3.533 20 5 HHBDMN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000760886683 1074514318 /nfs/dbraw/zinc/51/43/18/1074514318.db2.gz OVXRGOQKTOWBEV-CABCVRRESA-N 0 1 416.478 3.985 20 5 HHBDMN C[C@H](NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000574324223 1075221028 /nfs/dbraw/zinc/22/10/28/1075221028.db2.gz 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ZINC000431855247 978554525 /nfs/dbraw/zinc/55/45/25/978554525.db2.gz ALVUPMJKRKCVOC-SFHVURJKSA-N 0 1 400.479 3.949 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1C ZINC000431915292 978597797 /nfs/dbraw/zinc/59/77/97/978597797.db2.gz AGZGIEMKPSBHKK-PKOBYXMFSA-N 0 1 417.531 3.543 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2F)c([N+](=O)[O-])c1 ZINC000432646163 978924046 /nfs/dbraw/zinc/92/40/46/978924046.db2.gz OSMMQNXNKYPKKA-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN COCCS(=O)(=O)c1ccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433085589 979065869 /nfs/dbraw/zinc/06/58/69/979065869.db2.gz WTGZNUQCNMVYCU-FQEVSTJZSA-N 0 1 418.515 3.527 20 5 HHBDMN CC1(C)C[C@H](NCc2cccc(C(=O)N3CCOCC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433142831 979096902 /nfs/dbraw/zinc/09/69/02/979096902.db2.gz FSIOEHZAHYKXBY-NRFANRHFSA-N 0 1 409.486 3.579 20 5 HHBDMN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000434006728 979753708 /nfs/dbraw/zinc/75/37/08/979753708.db2.gz CKSDOSJEOXPWKK-UHFFFAOYSA-N 0 1 423.381 3.598 20 5 HHBDMN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000434237113 980006356 /nfs/dbraw/zinc/00/63/56/980006356.db2.gz XTQXOSAXVHZDPG-QGZVFWFLSA-N 0 1 400.479 3.614 20 5 HHBDMN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000434237112 980006592 /nfs/dbraw/zinc/00/65/92/980006592.db2.gz XTQXOSAXVHZDPG-KRWDZBQOSA-N 0 1 400.479 3.614 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])c2C)o1 ZINC000434438269 980178109 /nfs/dbraw/zinc/17/81/09/980178109.db2.gz ROTPSKKGSUBOKB-NSHDSACASA-N 0 1 404.810 4.254 20 5 HHBDMN C[C@H](CN1CCOCC1)N(C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000435056379 980601155 /nfs/dbraw/zinc/60/11/55/980601155.db2.gz MJNVTFWLKIVCNG-MRXNPFEDSA-N 0 1 403.454 3.679 20 5 HHBDMN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000435995888 981141117 /nfs/dbraw/zinc/14/11/17/981141117.db2.gz OCBIBZRORXFFNP-UHFFFAOYSA-N 0 1 400.822 3.530 20 5 HHBDMN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000436198901 981246045 /nfs/dbraw/zinc/24/60/45/981246045.db2.gz OLWPTOAFVWQXGB-JTQLQIEISA-N 0 1 414.871 3.718 20 5 HHBDMN C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000436328965 981302840 /nfs/dbraw/zinc/30/28/40/981302840.db2.gz AUZZHPYJCBCCGS-HUUCEWRRSA-N 0 1 417.487 3.656 20 5 HHBDMN O=C(c1cc(Cl)c2ccccc2c1O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000436541264 981430902 /nfs/dbraw/zinc/43/09/02/981430902.db2.gz YZQYJFWZBPJYPS-GFCCVEGCSA-N 0 1 412.833 3.829 20 5 HHBDMN C[C@H](Sc1nc(-c2ccccc2O)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000436849623 981589423 /nfs/dbraw/zinc/58/94/23/981589423.db2.gz FWVRZKVNZZVHCT-VIFPVBQESA-N 0 1 419.850 3.858 20 5 HHBDMN C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436893101 981603895 /nfs/dbraw/zinc/60/38/95/981603895.db2.gz NQPUZKRGOZNJJB-XIKOKIGWSA-N 0 1 407.829 3.516 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N(C)C)c1 ZINC000437177850 981833565 /nfs/dbraw/zinc/83/35/65/981833565.db2.gz USVDJTUIRSZXDJ-QGZVFWFLSA-N 0 1 411.380 3.655 20 5 HHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437541654 982170749 /nfs/dbraw/zinc/17/07/49/982170749.db2.gz SMJRQKOJMIKQGX-UHFFFAOYSA-N 0 1 423.517 3.852 20 5 HHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000460464638 982258716 /nfs/dbraw/zinc/25/87/16/982258716.db2.gz IUOJXXKPXVNMEK-UHFFFAOYSA-N 0 1 402.882 3.869 20 5 HHBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000437700868 982304943 /nfs/dbraw/zinc/30/49/43/982304943.db2.gz UMGGUJIXQRHPRY-UHFFFAOYSA-N 0 1 413.478 3.698 20 5 HHBDMN COc1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-])CCO2 ZINC000461010173 982721643 /nfs/dbraw/zinc/72/16/43/982721643.db2.gz ZIPAZGQLRBXQID-GOSISDBHSA-N 0 1 422.441 3.801 20 5 HHBDMN COc1cc(CN2CC[C@H](O)C(C)(C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438335873 982729935 /nfs/dbraw/zinc/72/99/35/982729935.db2.gz HQMQCKDXXGDQCE-NRFANRHFSA-N 0 1 400.475 3.775 20 5 HHBDMN Cc1ccc([C@H](C)NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000438864892 983129845 /nfs/dbraw/zinc/12/98/45/983129845.db2.gz LEBKQQYYWGHZEF-IRXDYDNUSA-N 0 1 411.506 3.884 20 5 HHBDMN CN(Cc1nnc[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000439533693 983439515 /nfs/dbraw/zinc/43/95/15/983439515.db2.gz XYQHPENXLITIPU-UHFFFAOYSA-N 0 1 403.851 3.790 20 5 HHBDMN CN(CC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000440758954 983891802 /nfs/dbraw/zinc/89/18/02/983891802.db2.gz KGMVOEIXIKPAOM-SFHVURJKSA-N 0 1 413.865 3.924 20 5 HHBDMN CCCOc1ccc2c(c1)CCN(CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000441071010 984054638 /nfs/dbraw/zinc/05/46/38/984054638.db2.gz YIKOMKHACGDRQG-UHFFFAOYSA-N 0 1 411.458 3.740 20 5 HHBDMN COc1ccc(OCCN(C)Cc2cc(Br)cs2)c([N+](=O)[O-])c1 ZINC000441187163 984106241 /nfs/dbraw/zinc/10/62/41/984106241.db2.gz YUTPCGXODODPDK-UHFFFAOYSA-N 0 1 401.282 3.938 20 5 HHBDMN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000441547388 984315641 /nfs/dbraw/zinc/31/56/41/984315641.db2.gz ZRUSEPZOHZPBCH-QGZVFWFLSA-N 0 1 420.878 3.791 20 5 HHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c1 ZINC000442227739 984746771 /nfs/dbraw/zinc/74/67/71/984746771.db2.gz GDTUAPCQYDYBND-UHFFFAOYSA-N 0 1 412.349 3.600 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCc2ccccc2C1 ZINC000462257750 985244168 /nfs/dbraw/zinc/24/41/68/985244168.db2.gz QQWNKUIYKADOEQ-CYBMUJFWSA-N 0 1 401.271 3.737 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2O)c1 ZINC000442848066 985244714 /nfs/dbraw/zinc/24/47/14/985244714.db2.gz MGMZUSPATKPTJT-UHFFFAOYSA-N 0 1 406.338 3.617 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000462311770 985298546 /nfs/dbraw/zinc/29/85/46/985298546.db2.gz GGJQWDUJLQOVGB-HNAYVOBHSA-N 0 1 423.560 3.580 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000462464625 985424393 /nfs/dbraw/zinc/42/43/93/985424393.db2.gz BLEKELUMHVWZCB-INIZCTEOSA-N 0 1 402.520 3.672 20 5 HHBDMN CCOc1cccc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000443403384 985558212 /nfs/dbraw/zinc/55/82/12/985558212.db2.gz AUBMCZRNPKPSDI-UHFFFAOYSA-N 0 1 415.265 3.865 20 5 HHBDMN CN1CCC[C@@H](CNc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000443514973 985686086 /nfs/dbraw/zinc/68/60/86/985686086.db2.gz AHADZBJLDFNBGY-WFASDCNBSA-N 0 1 400.426 4.565 20 5 HHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000462773833 985709635 /nfs/dbraw/zinc/70/96/35/985709635.db2.gz ABZWAVBVLKSWEL-NRFANRHFSA-N 0 1 417.550 3.515 20 5 HHBDMN CNc1c(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000462775327 985712025 /nfs/dbraw/zinc/71/20/25/985712025.db2.gz GIHIMTFPZCSNNX-DJJJIMSYSA-N 0 1 420.872 3.852 20 5 HHBDMN CCC[C@@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000462846707 985770929 /nfs/dbraw/zinc/77/09/29/985770929.db2.gz VVVAZYMBGVZXHN-HXUWFJFHSA-N 0 1 403.504 3.766 20 5 HHBDMN CNc1c(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000462899851 985828289 /nfs/dbraw/zinc/82/82/89/985828289.db2.gz FFABHYSJBMUAMF-HXUWFJFHSA-N 0 1 412.490 3.602 20 5 HHBDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000443672221 985878468 /nfs/dbraw/zinc/87/84/68/985878468.db2.gz FDOFKEYAQJUEDD-UHFFFAOYSA-N 0 1 417.375 3.997 20 5 HHBDMN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccc(-c4cn[nH]n4)c3)cc2[N+](=O)[O-])C1 ZINC000443684598 985897205 /nfs/dbraw/zinc/89/72/05/985897205.db2.gz TZTIBAVLXNAJPY-CQSZACIVSA-N 0 1 406.446 3.869 20 5 HHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(-c2nnc[nH]2)cc1F ZINC000468219745 985915680 /nfs/dbraw/zinc/91/56/80/985915680.db2.gz DSBRDRSWQMUTBQ-UHFFFAOYSA-N 0 1 407.814 3.903 20 5 HHBDMN C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1OCCCO ZINC000463038816 985998251 /nfs/dbraw/zinc/99/82/51/985998251.db2.gz QYHQDSKVHITBCR-ZDUSSCGKSA-N 0 1 409.280 3.969 20 5 HHBDMN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000463209588 986181341 /nfs/dbraw/zinc/18/13/41/986181341.db2.gz KSSXPZDWKWNWCJ-VWMOJTHMSA-N 0 1 409.914 3.838 20 5 HHBDMN Cc1cc(N2CCC[C@@H](NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)n(C)n1 ZINC000444008624 986204640 /nfs/dbraw/zinc/20/46/40/986204640.db2.gz LOZFIKHQNOBBIN-MRXNPFEDSA-N 0 1 412.519 3.519 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000444060982 986262657 /nfs/dbraw/zinc/26/26/57/986262657.db2.gz YNTPBHBWDXBBOD-UHFFFAOYSA-N 0 1 415.265 3.613 20 5 HHBDMN CCc1[nH]nc(C(=O)N(CCc2ccc(OC)cc2)Cc2ccccc2)c1[N+](=O)[O-] ZINC000444122234 986318350 /nfs/dbraw/zinc/31/83/50/986318350.db2.gz JOOWFVJLTAJTAN-UHFFFAOYSA-N 0 1 408.458 3.774 20 5 HHBDMN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444239535 986430718 /nfs/dbraw/zinc/43/07/18/986430718.db2.gz OHUPRTVSVINUGY-UHFFFAOYSA-N 0 1 415.493 3.591 20 5 HHBDMN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000444295180 986482029 /nfs/dbraw/zinc/48/20/29/986482029.db2.gz DRCICUNNLSGTOQ-INIZCTEOSA-N 0 1 413.481 3.697 20 5 HHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000469059488 986771521 /nfs/dbraw/zinc/77/15/21/986771521.db2.gz RXIWLGMJCSHKQK-UHFFFAOYSA-N 0 1 420.256 3.740 20 5 HHBDMN CC(C)(COc1ncccc1C(F)(F)F)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688286 986866323 /nfs/dbraw/zinc/86/63/23/986866323.db2.gz YJWYHMCHHJGENI-UHFFFAOYSA-N 0 1 409.368 3.832 20 5 HHBDMN COc1cc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000469498515 987177176 /nfs/dbraw/zinc/17/71/76/987177176.db2.gz XZFWALHMOGLQEJ-INIZCTEOSA-N 0 1 411.380 3.655 20 5 HHBDMN CN(C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1cccc(C(F)(F)F)c1 ZINC000470605015 988624481 /nfs/dbraw/zinc/62/44/81/988624481.db2.gz GKZOJVFQIOGYLE-QGZVFWFLSA-N 0 1 413.371 3.714 20 5 HHBDMN O=C(CN(CCCO)[C@H]1CCCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000471031932 989104808 /nfs/dbraw/zinc/10/48/08/989104808.db2.gz WRCWKXRODFHQAG-FQEVSTJZSA-N 0 1 417.893 3.949 20 5 HHBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(c2ccccc2)C1 ZINC000471169415 989295414 /nfs/dbraw/zinc/29/54/14/989295414.db2.gz NSPMCHHAKYHGAL-KRWDZBQOSA-N 0 1 402.882 3.788 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(c2ccc3ccccc3n2)CC1 ZINC000471209897 989351945 /nfs/dbraw/zinc/35/19/45/989351945.db2.gz HEWBYNBTNHJOHF-UHFFFAOYSA-N 0 1 419.485 3.602 20 5 HHBDMN CN(CCn1cc([N+](=O)[O-])cn1)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000471711263 989910062 /nfs/dbraw/zinc/91/00/62/989910062.db2.gz HEZXRYUVOPSHLF-UHFFFAOYSA-N 0 1 408.487 3.838 20 5 HHBDMN Cc1cc(Br)c(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000471958657 990124046 /nfs/dbraw/zinc/12/40/46/990124046.db2.gz YVPXLELQSNRHQZ-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCSCC2)cc1 ZINC000466519664 991811449 /nfs/dbraw/zinc/81/14/49/991811449.db2.gz ACRJJJHQYKNORE-UHFFFAOYSA-N 0 1 401.488 3.795 20 5 HHBDMN COc1cccc(NC2CCN(CCOc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000466728790 992039056 /nfs/dbraw/zinc/03/90/56/992039056.db2.gz KLGRZLHNDGTWIQ-UHFFFAOYSA-N 0 1 401.463 3.567 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccccc2CC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000467077269 992383452 /nfs/dbraw/zinc/38/34/52/992383452.db2.gz AJJDKIIDFWGTIE-UHFFFAOYSA-N 0 1 406.460 3.588 20 5 HHBDMN Cc1c(F)cccc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000467081968 992387940 /nfs/dbraw/zinc/38/79/40/992387940.db2.gz REMLEOYMZKJKGI-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN CCc1ccc(-c2noc([C@@H](C)NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)cc1 ZINC000472408013 993403009 /nfs/dbraw/zinc/40/30/09/993403009.db2.gz VSEHCIXWLVZOAG-LLVKDONJSA-N 0 1 406.402 3.575 20 5 HHBDMN Cc1cc(N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000472501349 993500502 /nfs/dbraw/zinc/50/05/02/993500502.db2.gz PCRWLQRBTWNCLH-MRXNPFEDSA-N 0 1 418.432 3.698 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(c2cncc3ccccc32)CC1 ZINC000472750465 993684549 /nfs/dbraw/zinc/68/45/49/993684549.db2.gz KRVRKISEIHMTKR-UHFFFAOYSA-N 0 1 419.485 3.602 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)c1C ZINC000480964619 993804889 /nfs/dbraw/zinc/80/48/89/993804889.db2.gz RXHTWVLBZLJBQT-KRWDZBQOSA-N 0 1 417.531 3.716 20 5 HHBDMN CCC[C@H](NCc1cccc(S(=O)(=O)NC(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000481028259 993872844 /nfs/dbraw/zinc/87/28/44/993872844.db2.gz WXRCONPPOMOATK-FQEVSTJZSA-N 0 1 405.520 3.913 20 5 HHBDMN Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000481063895 993904579 /nfs/dbraw/zinc/90/45/79/993904579.db2.gz YURFZUAAWPSACQ-CRAIPNDOSA-N 0 1 423.560 3.635 20 5 HHBDMN C[C@@H](NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000481312288 994129267 /nfs/dbraw/zinc/12/92/67/994129267.db2.gz WZJLXGKTTUNMAR-IAGOWNOFSA-N 0 1 417.531 3.866 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000481384371 994215471 /nfs/dbraw/zinc/21/54/71/994215471.db2.gz UXSYMOIWAKMBHV-BUXKBTBVSA-N 0 1 407.854 3.561 20 5 HHBDMN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481673769 994533593 /nfs/dbraw/zinc/53/35/93/994533593.db2.gz UCZFBWIPRZNBNN-PXAZEXFGSA-N 0 1 411.911 3.958 20 5 HHBDMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000481883289 994748843 /nfs/dbraw/zinc/74/88/43/994748843.db2.gz IQTHAKYOSULNKN-NVXWUHKLSA-N 0 1 421.906 3.553 20 5 HHBDMN C[NH+](C)Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1Cl ZINC000481893038 994762600 /nfs/dbraw/zinc/76/26/00/994762600.db2.gz SKFRINHEMTZOMT-UHFFFAOYSA-N 0 1 420.878 3.659 20 5 HHBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000481991913 994893341 /nfs/dbraw/zinc/89/33/41/994893341.db2.gz MPKYTGKWFUKZFT-HZPDHXFCSA-N 0 1 409.552 3.572 20 5 HHBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000474214371 995208810 /nfs/dbraw/zinc/20/88/10/995208810.db2.gz KJLNTIWINXANMP-CYBMUJFWSA-N 0 1 401.419 3.835 20 5 HHBDMN COC(=O)COc1ccc(CNCc2oc3ccc(F)cc3c2C)cc1[N+](=O)[O-] ZINC000474353210 995332783 /nfs/dbraw/zinc/33/27/83/995332783.db2.gz MUATVFATMAYRIA-UHFFFAOYSA-N 0 1 402.378 3.630 20 5 HHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000474581134 995541279 /nfs/dbraw/zinc/54/12/79/995541279.db2.gz USWRADBGEUDVQV-UHFFFAOYSA-N 0 1 418.881 3.651 20 5 HHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482880923 995813567 /nfs/dbraw/zinc/81/35/67/995813567.db2.gz CEOYYOAXUFXPHZ-INIZCTEOSA-N 0 1 405.454 3.974 20 5 HHBDMN CCCOc1ccc(C(C)(C)NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000483261169 996067290 /nfs/dbraw/zinc/06/72/90/996067290.db2.gz FPMOTHNJHJZTCU-UHFFFAOYSA-N 0 1 415.446 3.576 20 5 HHBDMN C[C@@H]1CCC[C@@H](N(Cc2c([N+](=O)[O-])ncn2C)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000475524611 996200588 /nfs/dbraw/zinc/20/05/88/996200588.db2.gz ALWPWINLMBOWFM-HLLBOEOZSA-N 0 1 400.479 3.884 20 5 HHBDMN COC(=O)COc1ccc(CN2CC[C@H](C)[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475713852 996317164 /nfs/dbraw/zinc/31/71/64/996317164.db2.gz FSJUEHASQRJTHJ-LHSJRXKWSA-N 0 1 402.422 3.869 20 5 HHBDMN CCc1nc2c(s1)[C@@H](N(C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)CCC2 ZINC000475714205 996317249 /nfs/dbraw/zinc/31/72/49/996317249.db2.gz HADNDIGKSHBLSR-HNNXBMFYSA-N 0 1 419.503 3.675 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(NCC(F)(F)F)c1 ZINC000475792272 996374216 /nfs/dbraw/zinc/37/42/16/996374216.db2.gz XPDRRIOWVIWAFS-UHFFFAOYSA-N 0 1 407.345 3.817 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000475799646 996378193 /nfs/dbraw/zinc/37/81/93/996378193.db2.gz RJSHCFLQIUQLBK-UHFFFAOYSA-N 0 1 407.345 3.817 20 5 HHBDMN O=C(Nc1ccnn1Cc1cccc(Br)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476117103 996609879 /nfs/dbraw/zinc/60/98/79/996609879.db2.gz VZBWBVMRBFKAME-UHFFFAOYSA-N 0 1 417.219 3.560 20 5 HHBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000484317598 996699393 /nfs/dbraw/zinc/69/93/93/996699393.db2.gz JJYWQDGBMTUNOC-UHFFFAOYSA-N 0 1 409.552 3.527 20 5 HHBDMN Cc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(-c2nc(C3CC3)no2)c1 ZINC000476400181 996856952 /nfs/dbraw/zinc/85/69/52/996856952.db2.gz WJMGVLBKYWXBFL-UHFFFAOYSA-N 0 1 414.443 3.940 20 5 HHBDMN Cc1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cnn1-c1ccccc1Cl ZINC000484733371 997075933 /nfs/dbraw/zinc/07/59/33/997075933.db2.gz FMRNKPLXPMLYMD-UHFFFAOYSA-N 0 1 423.820 3.780 20 5 HHBDMN Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cc2F)n1 ZINC000484735349 997077833 /nfs/dbraw/zinc/07/78/33/997077833.db2.gz JRZAORMKIOGGFT-UHFFFAOYSA-N 0 1 421.392 3.574 20 5 HHBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000484741498 997084734 /nfs/dbraw/zinc/08/47/34/997084734.db2.gz ZSRCQLMENOINJQ-ZDUSSCGKSA-N 0 1 421.244 3.618 20 5 HHBDMN C[C@@H](Nc1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-])c1ccccn1 ZINC000484776832 997124129 /nfs/dbraw/zinc/12/41/29/997124129.db2.gz QPPMLCXZFOBDKC-ACJLOTCBSA-N 0 1 406.446 3.693 20 5 HHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000484791540 997143212 /nfs/dbraw/zinc/14/32/12/997143212.db2.gz WVXADCPJYHRONL-ZJUUUORDSA-N 0 1 400.806 3.895 20 5 HHBDMN CC1CCN([C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c2cccs2)CC1 ZINC000485037079 997401565 /nfs/dbraw/zinc/40/15/65/997401565.db2.gz XWWRCXRTOAFRQX-INIZCTEOSA-N 0 1 417.487 3.588 20 5 HHBDMN CCOC(=O)c1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)cc([N+](=O)[O-])c1 ZINC000485103907 997483724 /nfs/dbraw/zinc/48/37/24/997483724.db2.gz JCXWZLFEAROQQJ-UHFFFAOYSA-N 0 1 421.369 3.555 20 5 HHBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000485127549 997512347 /nfs/dbraw/zinc/51/23/47/997512347.db2.gz AUGXIDQUONSISA-UHFFFAOYSA-N 0 1 402.370 3.720 20 5 HHBDMN C[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCc2ccccc2C1 ZINC000485309828 997719990 /nfs/dbraw/zinc/71/99/90/997719990.db2.gz ANEMUNJUAMJZIG-KRWDZBQOSA-N 0 1 408.502 3.716 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000477248654 997922550 /nfs/dbraw/zinc/92/25/50/997922550.db2.gz LLIUBDLZAIOPAL-CQSZACIVSA-N 0 1 416.377 3.691 20 5 HHBDMN COC(=O)c1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(C)c([N+](=O)[O-])c1 ZINC000486011360 998455793 /nfs/dbraw/zinc/45/57/93/998455793.db2.gz AAVPOJXNMLXWCJ-UHFFFAOYSA-N 0 1 418.349 3.509 20 5 HHBDMN C[C@H]1CN(C2CCOCC2)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000486016412 998462294 /nfs/dbraw/zinc/46/22/94/998462294.db2.gz LCHGQIJSKBRLCO-KRWDZBQOSA-N 0 1 409.486 3.515 20 5 HHBDMN COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000486222024 998657800 /nfs/dbraw/zinc/65/78/00/998657800.db2.gz MNKJOWKVEUQHBB-ITEAAPOESA-N 0 1 424.501 3.942 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000477923182 998659925 /nfs/dbraw/zinc/65/99/25/998659925.db2.gz UIOKKOBNPWHFCK-KDOFPFPSSA-N 0 1 401.438 3.584 20 5 HHBDMN C[C@@H]1CN(CCCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000486455971 998778066 /nfs/dbraw/zinc/77/80/66/998778066.db2.gz DHSDLYHVFRLNLK-IAGOWNOFSA-N 0 1 412.490 3.568 20 5 HHBDMN CSc1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000486477002 998786940 /nfs/dbraw/zinc/78/69/40/998786940.db2.gz GBECPZQONNXQRC-UHFFFAOYSA-N 0 1 403.479 3.850 20 5 HHBDMN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000486497296 998794453 /nfs/dbraw/zinc/79/44/53/998794453.db2.gz LCHGQIJSKBRLCO-QGZVFWFLSA-N 0 1 409.486 3.515 20 5 HHBDMN COc1ccc(CN(CCc2ccccn2)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000478166585 998797557 /nfs/dbraw/zinc/79/75/57/998797557.db2.gz GPPYBOFPXTZVCK-UHFFFAOYSA-N 0 1 407.426 3.589 20 5 HHBDMN Cn1c(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)ccc1[N+](=O)[O-] ZINC000486560489 998826178 /nfs/dbraw/zinc/82/61/78/998826178.db2.gz BSANTUPKPUDJLK-GOSISDBHSA-N 0 1 406.433 3.557 20 5 HHBDMN C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000478566548 999027660 /nfs/dbraw/zinc/02/76/60/999027660.db2.gz QCLZBGHSQXJDRF-UGSOOPFHSA-N 0 1 407.829 3.516 20 5 HHBDMN CC(C)(C)NC(=O)CN1CCC(CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000487106970 999064028 /nfs/dbraw/zinc/06/40/28/999064028.db2.gz FZWSPBWBNSWDEI-UHFFFAOYSA-N 0 1 420.554 3.811 20 5 HHBDMN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c(C)cc1C ZINC000478703520 999097164 /nfs/dbraw/zinc/09/71/64/999097164.db2.gz MAGQQYFLTXFYIU-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN O=C(CSc1nccc2ccccc21)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000487640811 999238772 /nfs/dbraw/zinc/23/87/72/999238772.db2.gz JJXCYBFGDJEFIM-UHFFFAOYSA-N 0 1 406.427 3.659 20 5 HHBDMN Cc1ccc(-n2cnc3c2CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C3)cc1 ZINC000487987901 999337873 /nfs/dbraw/zinc/33/78/73/999337873.db2.gz LZRCRNWTUAJHSK-UHFFFAOYSA-N 0 1 419.485 3.784 20 5 HHBDMN CC(C)(NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000488383212 999467988 /nfs/dbraw/zinc/46/79/88/999467988.db2.gz WMZLXILPJCGTII-UHFFFAOYSA-N 0 1 414.481 3.933 20 5 HHBDMN O=C(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000489002716 999669093 /nfs/dbraw/zinc/66/90/93/999669093.db2.gz ATFFZQMTMVWMJG-UHFFFAOYSA-N 0 1 417.554 3.922 20 5 HHBDMN CN1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C2(CCCCC2)C1 ZINC000480062311 999706192 /nfs/dbraw/zinc/70/61/92/999706192.db2.gz DRVZWXWKOLTDEQ-UHFFFAOYSA-N 0 1 400.504 3.809 20 5 HHBDMN COc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000480210095 999746429 /nfs/dbraw/zinc/74/64/29/999746429.db2.gz PSSHOJZFYQNOIS-UHFFFAOYSA-N 0 1 407.231 3.720 20 5 HHBDMN CC(C)[C@@H]1CN(C(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)CCN1C ZINC000489347996 999750061 /nfs/dbraw/zinc/75/00/61/999750061.db2.gz CBPJRKRMRBCJLN-IERDGZPVSA-N 0 1 411.506 3.575 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2noc(NC3CC(N4CCC(C(F)(F)F)CC4)C3)n2)cc1 ZINC000480547219 999823398 /nfs/dbraw/zinc/82/33/98/999823398.db2.gz HZRXTQJMQCXTPD-UHFFFAOYSA-N 0 1 411.384 3.862 20 5 HHBDMN O=[N+]([O-])c1ccc(N[C@@H](c2nnc[nH]2)c2ccccc2)nc1OCc1ccccc1 ZINC000489932496 999865499 /nfs/dbraw/zinc/86/54/99/999865499.db2.gz ZVAKQBKFOVMODP-LJQANCHMSA-N 0 1 402.414 3.888 20 5 HHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000490035272 999882168 /nfs/dbraw/zinc/88/21/68/999882168.db2.gz YMXWVGCMCFGMNI-VIFPVBQESA-N 0 1 412.793 3.666 20 5 HHBDMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000490339284 999940194 /nfs/dbraw/zinc/94/01/94/999940194.db2.gz HRWMUWJUIQURAP-CQSZACIVSA-N 0 1 405.392 3.747 20 5 HHBDMN Cc1ccc(-c2cnc(CCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)o2)cc1 ZINC000490371025 999946644 /nfs/dbraw/zinc/94/66/44/999946644.db2.gz SSNDOTMTDREXQS-UHFFFAOYSA-N 0 1 418.413 3.915 20 5 HHBDMN COc1c(S(=O)(=O)Nc2cccc(C)c2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000491600794 1000088477 /nfs/dbraw/zinc/08/84/77/1000088477.db2.gz FZRXAUHUDOIQKQ-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1CCC(C)C ZINC000491719805 1000093139 /nfs/dbraw/zinc/09/31/39/1000093139.db2.gz JOVWYMBXAIATIV-UHFFFAOYSA-N 0 1 400.888 3.854 20 5 HHBDMN O=C(Nc1cccc(S(=O)(=O)C2CCCCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000491856525 1000097912 /nfs/dbraw/zinc/09/79/12/1000097912.db2.gz GBFVBCQDXFANPP-UHFFFAOYSA-N 0 1 404.444 3.659 20 5 HHBDMN CN(C)[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccs1 ZINC000491962787 1000102567 /nfs/dbraw/zinc/10/25/67/1000102567.db2.gz WZIXRICZIFDZTC-AWEZNQCLSA-N 0 1 416.425 3.777 20 5 HHBDMN COc1cc(CNCc2ccccc2-n2ccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000492236933 1000117064 /nfs/dbraw/zinc/11/70/64/1000117064.db2.gz NUBSDFASKNTMMV-UHFFFAOYSA-N 0 1 418.400 3.723 20 5 HHBDMN CCOc1cc(CN2CCc3cc(OC)c(OC)c(OC)c3CC2)ccc1[N+](=O)[O-] ZINC000492481415 1000128595 /nfs/dbraw/zinc/12/85/95/1000128595.db2.gz DJIODIKIZOLXKC-UHFFFAOYSA-N 0 1 416.474 3.620 20 5 HHBDMN COc1ccc(-c2cc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n[nH]2)cc1OC ZINC000493153383 1000160337 /nfs/dbraw/zinc/16/03/37/1000160337.db2.gz MAFVIJQNVAMZQG-UHFFFAOYSA-N 0 1 422.441 3.807 20 5 HHBDMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000504597320 1000286596 /nfs/dbraw/zinc/28/65/96/1000286596.db2.gz IONSBTMEWGXWCP-INIZCTEOSA-N 0 1 414.481 3.675 20 5 HHBDMN CCOc1ccc([C@@H](C)NCc2cccc(NC(=O)Cn3cccn3)c2)cc1[N+](=O)[O-] ZINC000504899322 1000435723 /nfs/dbraw/zinc/43/57/23/1000435723.db2.gz DWUVTPRPRHXJAT-MRXNPFEDSA-N 0 1 423.473 3.680 20 5 HHBDMN CCOc1ccc([C@@H](C)NCc2cc(F)ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000504900106 1000436565 /nfs/dbraw/zinc/43/65/65/1000436565.db2.gz RJSOULOCCQZRRI-OAHLLOKOSA-N 0 1 403.454 3.820 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000504912509 1000444544 /nfs/dbraw/zinc/44/45/44/1000444544.db2.gz WZODEECPNBAPJM-CABCVRRESA-N 0 1 421.519 3.656 20 5 HHBDMN Cc1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000494422017 1000484108 /nfs/dbraw/zinc/48/41/08/1000484108.db2.gz NBWPIHATAPYPLO-UHFFFAOYSA-N 0 1 411.439 3.956 20 5 HHBDMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000494466208 1000507088 /nfs/dbraw/zinc/50/70/88/1000507088.db2.gz OXPACVCXYMVUJM-UHFFFAOYSA-N 0 1 403.504 3.583 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2OC)N2CCCCC2)cc1 ZINC000494610832 1000572692 /nfs/dbraw/zinc/57/26/92/1000572692.db2.gz FCQFELYTJRUMSL-HXUWFJFHSA-N 0 1 413.474 3.569 20 5 HHBDMN COc1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000505465695 1000792897 /nfs/dbraw/zinc/79/28/97/1000792897.db2.gz XFZUEYDBUNCNNJ-UHFFFAOYSA-N 0 1 408.410 3.818 20 5 HHBDMN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)n2)c(F)c1 ZINC000505742738 1001002454 /nfs/dbraw/zinc/00/24/54/1001002454.db2.gz WIMPVXGBMIFTRM-UHFFFAOYSA-N 0 1 416.390 3.774 20 5 HHBDMN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000505781037 1001020164 /nfs/dbraw/zinc/02/01/64/1001020164.db2.gz GQNCYDWTGJKADL-ZDUSSCGKSA-N 0 1 400.435 3.665 20 5 HHBDMN O=C(N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505787031 1001023923 /nfs/dbraw/zinc/02/39/23/1001023923.db2.gz JISHGDWIXMHKEG-FQEVSTJZSA-N 0 1 418.409 3.596 20 5 HHBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000505794316 1001027889 /nfs/dbraw/zinc/02/78/89/1001027889.db2.gz FTFOATOJJXUQFT-UHFFFAOYSA-N 0 1 410.474 3.591 20 5 HHBDMN COCCN(CCOC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000505907356 1001093139 /nfs/dbraw/zinc/09/31/39/1001093139.db2.gz MGHUOLDITCCMNU-UHFFFAOYSA-N 0 1 413.268 3.712 20 5 HHBDMN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000506021237 1001168750 /nfs/dbraw/zinc/16/87/50/1001168750.db2.gz IIRDMGASGBRXCR-CQSZACIVSA-N 0 1 415.471 3.695 20 5 HHBDMN CCOC(=O)c1sc2ccsc2c1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506337647 1001363835 /nfs/dbraw/zinc/36/38/35/1001363835.db2.gz KPACEJLYJIDAKW-UHFFFAOYSA-N 0 1 406.441 3.683 20 5 HHBDMN Cc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000506452280 1001419494 /nfs/dbraw/zinc/41/94/94/1001419494.db2.gz QYHDITHDPAIXEB-YOEHRIQHSA-N 0 1 421.881 3.870 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCC1 ZINC000498053623 1001623245 /nfs/dbraw/zinc/62/32/45/1001623245.db2.gz HULXPESFPMRRDS-QGZVFWFLSA-N 0 1 403.866 3.824 20 5 HHBDMN COc1cccc([C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000498070205 1001629708 /nfs/dbraw/zinc/62/97/08/1001629708.db2.gz RFGMKHVDLSUPDH-SFHVURJKSA-N 0 1 403.866 3.824 20 5 HHBDMN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000498145440 1001662700 /nfs/dbraw/zinc/66/27/00/1001662700.db2.gz SLRYCZYEPBBTCB-UHFFFAOYSA-N 0 1 419.363 3.905 20 5 HHBDMN Cc1cccc2nc(CNC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)[nH]c21 ZINC000498407452 1001834573 /nfs/dbraw/zinc/83/45/73/1001834573.db2.gz WNNYGECFLBSIHS-CQSZACIVSA-N 0 1 407.474 3.946 20 5 HHBDMN Cc1cccc2nc(CNC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])[nH]c21 ZINC000498416597 1001845881 /nfs/dbraw/zinc/84/58/81/1001845881.db2.gz CSARPPIYBHOXOK-UHFFFAOYSA-N 0 1 408.336 3.651 20 5 HHBDMN CCn1c2ccc(Br)cc2nc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507252567 1001936751 /nfs/dbraw/zinc/93/67/51/1001936751.db2.gz AAWOKZCEUHMTRH-UHFFFAOYSA-N 0 1 405.208 3.685 20 5 HHBDMN Cc1ccc(Sc2ccc(C(=O)NC3(c4nnc[nH]4)CCC3)cc2[N+](=O)[O-])cc1 ZINC000507886461 1002418154 /nfs/dbraw/zinc/41/81/54/1002418154.db2.gz LQGPOOROZQXKNO-UHFFFAOYSA-N 0 1 409.471 3.982 20 5 HHBDMN CCOc1ccc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cc1[N+](=O)[O-] ZINC000507944014 1002477907 /nfs/dbraw/zinc/47/79/07/1002477907.db2.gz IGTFJNFYIDWPSM-UHFFFAOYSA-N 0 1 421.457 3.798 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4n[nH]c5ccc([N+](=O)[O-])cc54)C3)[nH]c2c1 ZINC000508226494 1002755158 /nfs/dbraw/zinc/75/51/58/1002755158.db2.gz OISNIJJVJGSBSA-ZDUSSCGKSA-N 0 1 404.430 3.676 20 5 HHBDMN Cc1cn(-c2ccc(Cl)cc2)nc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000499504793 1002894261 /nfs/dbraw/zinc/89/42/61/1002894261.db2.gz LNECWKCZRFPZAK-UHFFFAOYSA-N 0 1 420.878 3.727 20 5 HHBDMN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000499565468 1002945384 /nfs/dbraw/zinc/94/53/84/1002945384.db2.gz VGRKNPOWXGOUIB-NSHDSACASA-N 0 1 422.392 3.603 20 5 HHBDMN COc1ccc(-c2ccc(CNCc3ccccc3Cn3cncn3)o2)c([N+](=O)[O-])c1 ZINC000508729189 1003169382 /nfs/dbraw/zinc/16/93/82/1003169382.db2.gz GYEMOPLYEUKRNS-UHFFFAOYSA-N 0 1 419.441 3.793 20 5 HHBDMN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000499870321 1003207113 /nfs/dbraw/zinc/20/71/13/1003207113.db2.gz FDJGQCMYDNWFJJ-SFHVURJKSA-N 0 1 408.458 3.643 20 5 HHBDMN CN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000500151835 1003507698 /nfs/dbraw/zinc/50/76/98/1003507698.db2.gz VRMWHICJKPOOGW-UHFFFAOYSA-N 0 1 423.922 3.533 20 5 HHBDMN O=C1Cc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Nc3ccccc3)ccc2N1 ZINC000500168065 1003520063 /nfs/dbraw/zinc/52/00/63/1003520063.db2.gz MVNWGKYMVSPKCJ-UHFFFAOYSA-N 0 1 424.438 3.634 20 5 HHBDMN Cc1[nH]nc(C(=O)N2CCC(C)(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000509294158 1003688368 /nfs/dbraw/zinc/68/83/68/1003688368.db2.gz LYXZKWHHPVWCKB-UHFFFAOYSA-N 0 1 407.268 3.583 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1)N1CCCCC1 ZINC000511834695 1003811221 /nfs/dbraw/zinc/81/12/21/1003811221.db2.gz MAKPBXIVQYULHJ-IBGZPJMESA-N 0 1 413.474 3.569 20 5 HHBDMN Cc1c(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cccc1[N+](=O)[O-] ZINC000511839972 1003817307 /nfs/dbraw/zinc/81/73/07/1003817307.db2.gz DIGOPMSKTNTPPZ-MRXNPFEDSA-N 0 1 407.392 3.926 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000511871957 1003851181 /nfs/dbraw/zinc/85/11/81/1003851181.db2.gz GGQSVNYVIMPSAV-PWRODBHTSA-N 0 1 400.500 3.637 20 5 HHBDMN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512041410 1003975506 /nfs/dbraw/zinc/97/55/06/1003975506.db2.gz MBSDPOMULHDQGB-QGZVFWFLSA-N 0 1 422.407 3.687 20 5 HHBDMN O=[N+]([O-])c1cc(F)c(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000509639085 1003998008 /nfs/dbraw/zinc/99/80/08/1003998008.db2.gz YFICQZXFUVUFCY-HNNXBMFYSA-N 0 1 413.306 3.889 20 5 HHBDMN O=C(CN[C@H](CCO)c1ccc(Cl)c(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512211894 1004112989 /nfs/dbraw/zinc/11/29/89/1004112989.db2.gz IXUJGIMKHZPNIV-QGZVFWFLSA-N 0 1 424.284 3.504 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1CNC(C)(C)COc1ncccc1Br ZINC000501071243 1004174632 /nfs/dbraw/zinc/17/46/32/1004174632.db2.gz WKDNNUCIDCSFQS-UHFFFAOYSA-N 0 1 410.268 3.708 20 5 HHBDMN COc1cccc(C2(NCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2)c1 ZINC000510097514 1004321804 /nfs/dbraw/zinc/32/18/04/1004321804.db2.gz GIQMASFEBQLQEH-UHFFFAOYSA-N 0 1 420.263 3.583 20 5 HHBDMN COc1ccc(CNC(=O)C2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000512662753 1004472937 /nfs/dbraw/zinc/47/29/37/1004472937.db2.gz ACSOOWNMMVZVFL-XQRVVYSFSA-N 0 1 409.486 3.645 20 5 HHBDMN C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)CN1Cc1ccccc1 ZINC000501771997 1004710662 /nfs/dbraw/zinc/71/06/62/1004710662.db2.gz HVZQCUBNRDLLNJ-SJORKVTESA-N 0 1 407.474 3.740 20 5 HHBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000501805126 1004746922 /nfs/dbraw/zinc/74/69/22/1004746922.db2.gz MSZFIYGIXICYRU-DLBZAZTESA-N 0 1 407.474 3.740 20 5 HHBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)nc2c1 ZINC000513195903 1004855469 /nfs/dbraw/zinc/85/54/69/1004855469.db2.gz JRNWNMRSEXKADK-IBGZPJMESA-N 0 1 420.391 3.981 20 5 HHBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000513341993 1004919763 /nfs/dbraw/zinc/91/97/63/1004919763.db2.gz AYQZLEPACQEARH-UHFFFAOYSA-N 0 1 403.236 3.548 20 5 HHBDMN C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000513660705 1005070634 /nfs/dbraw/zinc/07/06/34/1005070634.db2.gz JYGGBBSTUKQVSO-AGHHOFFYSA-N 0 1 405.502 3.670 20 5 HHBDMN COc1ccc(C(=O)Nc2cc(CN3CCSCC3)ccc2C)cc1[N+](=O)[O-] ZINC000502477376 1005087389 /nfs/dbraw/zinc/08/73/89/1005087389.db2.gz LSZALVQZSGZEDW-UHFFFAOYSA-N 0 1 401.488 3.713 20 5 HHBDMN O=C(CN[C@@]1(Cc2ccc(Cl)cc2)CCOC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000502559721 1005118587 /nfs/dbraw/zinc/11/85/87/1005118587.db2.gz NTYVZXPIWMDVAB-LJQANCHMSA-N 0 1 424.284 3.832 20 5 HHBDMN Cc1ccc(CN2CCCN(C(=O)CSCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000513812023 1005138721 /nfs/dbraw/zinc/13/87/21/1005138721.db2.gz CGDGOFRNSJCBRV-UHFFFAOYSA-N 0 1 413.543 3.871 20 5 HHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCCO[C@H]2CCCCO2)CC1 ZINC000513891366 1005175485 /nfs/dbraw/zinc/17/54/85/1005175485.db2.gz FSAQKTBJCONHSP-SFHVURJKSA-N 0 1 417.428 3.669 20 5 HHBDMN Cc1cc([C@H]2CCCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C2)n[nH]1 ZINC000513940026 1005195969 /nfs/dbraw/zinc/19/59/69/1005195969.db2.gz LGRLKTJEMHYVQI-AWEZNQCLSA-N 0 1 404.445 3.872 20 5 HHBDMN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502935372 1005282305 /nfs/dbraw/zinc/28/23/05/1005282305.db2.gz MGNGOJIHQACWRI-KRWDZBQOSA-N 0 1 412.490 3.971 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H](c4ncc5n4CCCC5)C3)o2)cc1 ZINC000503381909 1005403706 /nfs/dbraw/zinc/40/37/06/1005403706.db2.gz GDOJAFPFPHBBHF-MRXNPFEDSA-N 0 1 408.462 3.557 20 5 HHBDMN CN1CC[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000534017387 1005987332 /nfs/dbraw/zinc/98/73/32/1005987332.db2.gz HCYWYUHWPRMMAZ-AEFFLSMTSA-N 0 1 423.391 3.711 20 5 HHBDMN Cc1nn(CCC(=O)Nc2cc(Cl)cc(Br)c2O)c(C)c1[N+](=O)[O-] ZINC000531134126 1006010700 /nfs/dbraw/zinc/01/07/00/1006010700.db2.gz VRSPFPBCNQLQPQ-UHFFFAOYSA-N 0 1 417.647 3.558 20 5 HHBDMN CCc1ccc(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)cc1[N+](=O)[O-] ZINC000531308511 1006108878 /nfs/dbraw/zinc/10/88/78/1006108878.db2.gz KDMIHDSCXNUEAH-UHFFFAOYSA-N 0 1 416.235 3.957 20 5 HHBDMN COc1cc(CN(Cc2ccccc2)CC(C)(C)O)c([N+](=O)[O-])cc1OC(F)F ZINC000538325074 1006591309 /nfs/dbraw/zinc/59/13/09/1006591309.db2.gz OGXYFPUYGHTQMY-UHFFFAOYSA-N 0 1 410.417 3.978 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cc2)C[C@H](C)O1 ZINC000515826424 1006703373 /nfs/dbraw/zinc/70/33/73/1006703373.db2.gz MWHQWSUDHKHFIG-IYBDPMFKSA-N 0 1 422.485 3.615 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000515846905 1006715940 /nfs/dbraw/zinc/71/59/40/1006715940.db2.gz LLLIJJBAUCSRQT-UHFFFAOYSA-N 0 1 417.487 3.576 20 5 HHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000538590643 1006858234 /nfs/dbraw/zinc/85/82/34/1006858234.db2.gz NXGWYGMKACPPTQ-QGZVFWFLSA-N 0 1 409.552 3.574 20 5 HHBDMN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000534957919 1007002677 /nfs/dbraw/zinc/00/26/77/1007002677.db2.gz OILSYAFBIQHAKB-UHFFFAOYSA-N 0 1 414.443 3.687 20 5 HHBDMN COc1cc(CN2CCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000538726437 1007004531 /nfs/dbraw/zinc/00/45/31/1007004531.db2.gz RSWDFLGWMXNWOZ-LPHOPBHVSA-N 0 1 400.475 3.918 20 5 HHBDMN CNC(=O)[C@H]1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000538729644 1007009316 /nfs/dbraw/zinc/00/93/16/1007009316.db2.gz HKTVNEDNSOKZMU-HNNXBMFYSA-N 0 1 403.866 3.999 20 5 HHBDMN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000538736139 1007019352 /nfs/dbraw/zinc/01/93/52/1007019352.db2.gz BZXFSYJZJKULHG-QGZVFWFLSA-N 0 1 410.453 3.618 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cc2)C[C@H](C)O1 ZINC000534984282 1007043087 /nfs/dbraw/zinc/04/30/87/1007043087.db2.gz DGQNAUSYSKAGQR-IYBDPMFKSA-N 0 1 422.485 3.615 20 5 HHBDMN O=C(CNC1(c2ccc(Br)cc2)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000532663526 1007080505 /nfs/dbraw/zinc/08/05/05/1007080505.db2.gz DUCMOTGBEFSHRU-UHFFFAOYSA-N 0 1 404.264 3.965 20 5 HHBDMN Cc1nn(Cc2ccc(C(=O)Nc3ccc4c(C)[nH]nc4c3)cc2)c(C)c1[N+](=O)[O-] ZINC000538806391 1007084992 /nfs/dbraw/zinc/08/49/92/1007084992.db2.gz XFQLDCOQOSTJOO-UHFFFAOYSA-N 0 1 404.430 3.893 20 5 HHBDMN COC[C@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000532737657 1007147648 /nfs/dbraw/zinc/14/76/48/1007147648.db2.gz VMHMWFMLRNNLDL-OALUTQOASA-N 0 1 403.866 3.943 20 5 HHBDMN COc1ccc(CNCc2cccc(N(C)C)n2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000532859414 1007248279 /nfs/dbraw/zinc/24/82/79/1007248279.db2.gz HJOGXDAECHYWRU-UHFFFAOYSA-N 0 1 422.485 3.933 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccc(F)cc1Br ZINC000539105976 1007393289 /nfs/dbraw/zinc/39/32/89/1007393289.db2.gz OKRHPRDAZCQDDX-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cccnc2)cc1 ZINC000539226116 1007518674 /nfs/dbraw/zinc/51/86/74/1007518674.db2.gz RSICIDLRLOSWDB-KRWDZBQOSA-N 0 1 420.469 3.882 20 5 HHBDMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000539243670 1007537538 /nfs/dbraw/zinc/53/75/38/1007537538.db2.gz POOUHKJOUPAVBE-INIZCTEOSA-N 0 1 405.520 3.785 20 5 HHBDMN C[C@@H](NCC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000539279998 1007576310 /nfs/dbraw/zinc/57/63/10/1007576310.db2.gz NMUCQIDYCGMZAR-SNVBAGLBSA-N 0 1 407.352 3.779 20 5 HHBDMN COCCSc1ccc([C@@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000539303924 1007601794 /nfs/dbraw/zinc/60/17/94/1007601794.db2.gz JLRWUKWMTAEUBW-OAHLLOKOSA-N 0 1 403.504 3.931 20 5 HHBDMN COc1cc(OC)c(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000539378822 1007682907 /nfs/dbraw/zinc/68/29/07/1007682907.db2.gz IVEUTUCOGOZZRD-LBPRGKRZSA-N 0 1 407.854 3.863 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@H](CO)CC(F)(F)F)cc1 ZINC000539520325 1007830260 /nfs/dbraw/zinc/83/02/60/1007830260.db2.gz AKVHSKQIEUNTMR-INIZCTEOSA-N 0 1 420.391 3.850 20 5 HHBDMN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000539750896 1008065077 /nfs/dbraw/zinc/06/50/77/1008065077.db2.gz GXXOXGHRICTUFA-KRWDZBQOSA-N 0 1 420.473 3.588 20 5 HHBDMN CCCCOc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC ZINC000539838867 1008130715 /nfs/dbraw/zinc/13/07/15/1008130715.db2.gz ZXFKITIIPYMKQI-QGZVFWFLSA-N 0 1 400.479 3.864 20 5 HHBDMN COc1c(C)ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1C ZINC000518190092 1008200470 /nfs/dbraw/zinc/20/04/70/1008200470.db2.gz KWEQEGZJUCQGCC-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000533914281 1008201531 /nfs/dbraw/zinc/20/15/31/1008201531.db2.gz SOPIJGLBMPHHJF-CQSZACIVSA-N 0 1 402.259 3.726 20 5 HHBDMN O=C(C[C@@H]1C=CCC1)Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000518602729 1008361687 /nfs/dbraw/zinc/36/16/87/1008361687.db2.gz JHTPRCKHXHWVNM-CQSZACIVSA-N 0 1 401.444 3.690 20 5 HHBDMN CCOc1ccc([C@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1OCC ZINC000540368254 1008402783 /nfs/dbraw/zinc/40/27/83/1008402783.db2.gz OJAVTSYKGVWYTA-HNNXBMFYSA-N 0 1 413.474 3.632 20 5 HHBDMN COCCSc1ccc([C@@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000518789814 1008421534 /nfs/dbraw/zinc/42/15/34/1008421534.db2.gz DVGGQTLQDZJNDE-QRWLVFNGSA-N 0 1 415.515 3.789 20 5 HHBDMN Cc1ccc(Sc2ccc(C(=O)N3CCC[C@H](c4nn[nH]n4)C3)cc2[N+](=O)[O-])cc1 ZINC000540423037 1008426524 /nfs/dbraw/zinc/42/65/24/1008426524.db2.gz OCJMCMXRYYBNDZ-HNNXBMFYSA-N 0 1 424.486 3.587 20 5 HHBDMN CCOC(=O)c1sc(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000540475693 1008446573 /nfs/dbraw/zinc/44/65/73/1008446573.db2.gz BFPKBVBEFGVGMQ-ZDUSSCGKSA-N 0 1 405.476 3.739 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000518858161 1008448552 /nfs/dbraw/zinc/44/85/52/1008448552.db2.gz DBBBDYUMVDQJJC-HUUCEWRRSA-N 0 1 419.503 3.572 20 5 HHBDMN C[C@H]1CC(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000548973521 1008553095 /nfs/dbraw/zinc/55/30/95/1008553095.db2.gz FCHZRJYCNZNJLA-UWVGGRQHSA-N 0 1 411.307 3.774 20 5 HHBDMN CCN1CCN(c2ccc(-c3noc(C(C)(C)c4ccc([N+](=O)[O-])cc4)n3)cn2)CC1 ZINC000545687024 1008779918 /nfs/dbraw/zinc/77/99/18/1008779918.db2.gz VOXRHXNAGAAQAO-UHFFFAOYSA-N 0 1 422.489 3.508 20 5 HHBDMN COc1ccc(-c2cc(-c3nc(Cc4cccc([N+](=O)[O-])c4C)no3)[nH]n2)cc1OC ZINC000545784918 1008872090 /nfs/dbraw/zinc/87/20/90/1008872090.db2.gz IXCKRIGVLKXFBP-UHFFFAOYSA-N 0 1 421.413 3.951 20 5 HHBDMN CN1C[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000543312728 1008892468 /nfs/dbraw/zinc/89/24/68/1008892468.db2.gz KUAHZZHRAKELRG-CVEARBPZSA-N 0 1 405.907 3.554 20 5 HHBDMN C[C@@H](C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000519680648 1008961188 /nfs/dbraw/zinc/96/11/88/1008961188.db2.gz JPHOVYGZABFFMD-SNVBAGLBSA-N 0 1 416.235 3.885 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])[nH]c2c1 ZINC000519930780 1009086162 /nfs/dbraw/zinc/08/61/62/1009086162.db2.gz JRRFYEVNEMQVCK-INIZCTEOSA-N 0 1 420.878 3.959 20 5 HHBDMN C[C@H](Nc1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000546150286 1009180835 /nfs/dbraw/zinc/18/08/35/1009180835.db2.gz COECBBHIYPIHSP-LBPRGKRZSA-N 0 1 407.434 3.801 20 5 HHBDMN C[C@H](Nc1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1[N+](=O)[O-])c1ccccn1 ZINC000546150286 1009180842 /nfs/dbraw/zinc/18/08/42/1009180842.db2.gz COECBBHIYPIHSP-LBPRGKRZSA-N 0 1 407.434 3.801 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000543594835 1009200013 /nfs/dbraw/zinc/20/00/13/1009200013.db2.gz PKGOXRVKAIILJV-INIZCTEOSA-N 0 1 412.920 3.849 20 5 HHBDMN CN(c1ccccc1)c1ccc(CNCc2ccc3c(c2)C(=O)NCC3)cc1[N+](=O)[O-] ZINC000543638686 1009242663 /nfs/dbraw/zinc/24/26/63/1009242663.db2.gz DTOSIAMVTLWBKP-UHFFFAOYSA-N 0 1 416.481 3.938 20 5 HHBDMN COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549718031 1009345826 /nfs/dbraw/zinc/34/58/26/1009345826.db2.gz QRDBPSMZIVWKDN-IBGZPJMESA-N 0 1 408.376 3.930 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000543837221 1009399334 /nfs/dbraw/zinc/39/93/34/1009399334.db2.gz FGQBOXDMPWZNOL-CQSZACIVSA-N 0 1 412.368 3.503 20 5 HHBDMN CCN1CCN(c2ccc(-c3noc(/C=C(/C)c4ccc([N+](=O)[O-])cc4)n3)cn2)CC1 ZINC000546396200 1009406987 /nfs/dbraw/zinc/40/69/87/1009406987.db2.gz ZJVJNYGZEZGQLP-PEZBUJJGSA-N 0 1 420.473 3.742 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]3c3n[nH]c(-c4ccccc4)n3)n2)c1 ZINC000550259832 1009813153 /nfs/dbraw/zinc/81/31/53/1009813153.db2.gz VLHLJHOUYKRBPE-KRWDZBQOSA-N 0 1 417.429 3.767 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]3c3nc(-c4ccccc4)n[nH]3)n2)c1 ZINC000550259832 1009813170 /nfs/dbraw/zinc/81/31/70/1009813170.db2.gz VLHLJHOUYKRBPE-KRWDZBQOSA-N 0 1 417.429 3.767 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000544369024 1009996757 /nfs/dbraw/zinc/99/67/57/1009996757.db2.gz WFVXIXBGTQGSAG-GFCCVEGCSA-N 0 1 422.279 3.873 20 5 HHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544403066 1010023662 /nfs/dbraw/zinc/02/36/62/1010023662.db2.gz ZRGSDIULIXBJCE-OAHLLOKOSA-N 0 1 400.454 3.536 20 5 HHBDMN Cc1c(Br)c(NC2CCN(Cc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000544410189 1010029967 /nfs/dbraw/zinc/02/99/67/1010029967.db2.gz FLHHOEGFQGWILL-UHFFFAOYSA-N 0 1 406.284 3.532 20 5 HHBDMN NC(=O)c1ccc(NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000521012388 1010048994 /nfs/dbraw/zinc/04/89/94/1010048994.db2.gz FUGYTPDXMROCLS-KRWDZBQOSA-N 0 1 402.882 3.814 20 5 HHBDMN COc1ccc(NC(=O)[C@H](NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000521013733 1010050438 /nfs/dbraw/zinc/05/04/38/1010050438.db2.gz VWFKABDBVMKLRP-JOCHJYFZSA-N 0 1 421.453 3.952 20 5 HHBDMN COc1ccc(CN2CCCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000544462776 1010086295 /nfs/dbraw/zinc/08/62/95/1010086295.db2.gz BTIQPQBMYMNTEN-INIZCTEOSA-N 0 1 415.465 3.581 20 5 HHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000550699158 1010110704 /nfs/dbraw/zinc/11/07/04/1010110704.db2.gz OUTNEJFJPXKPJA-MSOLQXFVSA-N 0 1 418.291 3.841 20 5 HHBDMN COc1cccc([C@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)N2CCCC2)c1 ZINC000544532949 1010162633 /nfs/dbraw/zinc/16/26/33/1010162633.db2.gz TZCVUSZGKXERKL-VFNWGFHPSA-N 0 1 415.465 3.799 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCOc1ccccc1-c1ccccc1 ZINC000521158195 1010187769 /nfs/dbraw/zinc/18/77/69/1010187769.db2.gz VIKJPZBWUNIGMV-UHFFFAOYSA-N 0 1 416.430 3.758 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(CCN2CCCC2)c2ccccc2)c1 ZINC000544656472 1010278097 /nfs/dbraw/zinc/27/80/97/1010278097.db2.gz POJQLMUQOXEBOZ-UHFFFAOYSA-N 0 1 403.504 3.503 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000521414591 1010361909 /nfs/dbraw/zinc/36/19/09/1010361909.db2.gz WFUIPWWLGLGCTO-UHFFFAOYSA-N 0 1 422.513 3.961 20 5 HHBDMN CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCN1Cc1ccccc1 ZINC000544767544 1010366038 /nfs/dbraw/zinc/36/60/38/1010366038.db2.gz SWBOIRDHLMGWLZ-QGZVFWFLSA-N 0 1 420.469 3.585 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000521501072 1010415717 /nfs/dbraw/zinc/41/57/17/1010415717.db2.gz XGNXUAYIKHDBHF-BBRMVZONSA-N 0 1 409.870 3.808 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC000521687995 1010551737 /nfs/dbraw/zinc/55/17/37/1010551737.db2.gz CPEBBQRKRLEITO-GOSISDBHSA-N 0 1 416.430 3.833 20 5 HHBDMN CN(C)Cc1cc(-c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)ccc1F ZINC000545022895 1010563955 /nfs/dbraw/zinc/56/39/55/1010563955.db2.gz BBTSWUDAOBIYCU-UHFFFAOYSA-N 0 1 408.393 3.698 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc3oc(C(C)C)nc3c2)cc1[N+](=O)[O-] ZINC000548283096 1010579619 /nfs/dbraw/zinc/57/96/19/1010579619.db2.gz IERKFGYLFIZAPI-UHFFFAOYSA-N 0 1 409.395 3.808 20 5 HHBDMN Cc1ccc(C=Cc2n[nH]c(S[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)n2)o1 ZINC000521837411 1010649362 /nfs/dbraw/zinc/64/93/62/1010649362.db2.gz IDXKYHCCPXIYTP-KXPUMZMLSA-N 0 1 411.443 3.682 20 5 HHBDMN COc1cc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])cc1OC ZINC000522040122 1010771264 /nfs/dbraw/zinc/77/12/64/1010771264.db2.gz YBRGNJXZOCRUIY-INIZCTEOSA-N 0 1 410.430 3.774 20 5 HHBDMN Cc1cc(S(=O)(=O)[N-]c2ccc(CC[NH+]3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000522439281 1011013390 /nfs/dbraw/zinc/01/33/90/1011013390.db2.gz NJAWEFOTCZZPMG-UHFFFAOYSA-N 0 1 403.504 3.732 20 5 HHBDMN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000536194802 1011337854 /nfs/dbraw/zinc/33/78/54/1011337854.db2.gz XUTIHFDCBWKRFF-GOSISDBHSA-N 0 1 409.364 3.694 20 5 HHBDMN Cc1ccc(Sc2ccc(C(=O)NC3(c4nn[n-]n4)CCCC3)cc2[N+](=O)[O-])cc1 ZINC000522928024 1011371329 /nfs/dbraw/zinc/37/13/29/1011371329.db2.gz PHSDTQHNOSZIQP-UHFFFAOYSA-N 0 1 424.486 3.767 20 5 HHBDMN Cc1ccc(Sc2ccc(C(=O)NC3(c4nn[nH]n4)CCCC3)cc2[N+](=O)[O-])cc1 ZINC000522928024 1011371336 /nfs/dbraw/zinc/37/13/36/1011371336.db2.gz PHSDTQHNOSZIQP-UHFFFAOYSA-N 0 1 424.486 3.767 20 5 HHBDMN O=C(CN1CCC[C@@H]1C1CCOCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000540826293 1011489976 /nfs/dbraw/zinc/48/99/76/1011489976.db2.gz CGVCHDGLXKQEKJ-GOSISDBHSA-N 0 1 416.503 3.548 20 5 HHBDMN Cc1ccc([C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000541025919 1011661259 /nfs/dbraw/zinc/66/12/59/1011661259.db2.gz FNPZGCVDXKYKKK-HNNXBMFYSA-N 0 1 409.389 3.665 20 5 HHBDMN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000536459521 1011678510 /nfs/dbraw/zinc/67/85/10/1011678510.db2.gz NGWIPEKGQXLEKP-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN CCc1nc([C@H](C)NCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)n[nH]1 ZINC000536496273 1011704137 /nfs/dbraw/zinc/70/41/37/1011704137.db2.gz FKMZSOIPQBHWRF-AWEZNQCLSA-N 0 1 411.462 3.714 20 5 HHBDMN CCCOc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OCC ZINC000536680961 1011844773 /nfs/dbraw/zinc/84/47/73/1011844773.db2.gz KITTZSAHXRZJHY-QGZVFWFLSA-N 0 1 400.479 3.864 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@@H](CC)CS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000536825987 1012054566 /nfs/dbraw/zinc/05/45/66/1012054566.db2.gz KKDFHNGENWBBRE-RDJZCZTQSA-N 0 1 406.504 3.897 20 5 HHBDMN CN(C)[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000552045935 1012065447 /nfs/dbraw/zinc/06/54/47/1012065447.db2.gz TYDHPEAAMKWFDD-PMACEKPBSA-N 0 1 413.909 3.964 20 5 HHBDMN COC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000552119722 1012137612 /nfs/dbraw/zinc/13/76/12/1012137612.db2.gz WQFINURJLMORBN-ZDUSSCGKSA-N 0 1 405.259 3.568 20 5 HHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n[nH]1 ZINC000552202560 1012215592 /nfs/dbraw/zinc/21/55/92/1012215592.db2.gz BWTGOGNGSMHORX-PSASIEDQSA-N 0 1 410.272 3.788 20 5 HHBDMN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000537061181 1012396979 /nfs/dbraw/zinc/39/69/79/1012396979.db2.gz GQWUSNWFCCZDAC-UGSOOPFHSA-N 0 1 423.391 3.992 20 5 HHBDMN COc1cc(CN(C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000552488835 1012514154 /nfs/dbraw/zinc/51/41/54/1012514154.db2.gz MIWMTRHCKDRXDV-FXAWDEMLSA-N 0 1 400.475 3.775 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCc3cc(Br)cc(C)c3C2)c1[N+](=O)[O-] ZINC000537171085 1012574748 /nfs/dbraw/zinc/57/47/48/1012574748.db2.gz OJFOUZIPXIPHCM-UHFFFAOYSA-N 0 1 407.268 3.540 20 5 HHBDMN Cc1[nH]ncc1C1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000552765218 1012772856 /nfs/dbraw/zinc/77/28/56/1012772856.db2.gz FRSUXBHHDLIKSB-UHFFFAOYSA-N 0 1 411.506 3.882 20 5 HHBDMN O=[N+]([O-])c1ccc(CNCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000537323354 1012781176 /nfs/dbraw/zinc/78/11/76/1012781176.db2.gz UZBCBPAOWMGLJC-UHFFFAOYSA-N 0 1 415.446 3.825 20 5 HHBDMN CCN1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000571227942 1072587784 /nfs/dbraw/zinc/58/77/84/1072587784.db2.gz JLVBGZMGEKIFLW-OXQOHEQNSA-N 0 1 419.407 3.814 20 5 HHBDMN CN1CC[C@@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000588008687 1072743248 /nfs/dbraw/zinc/74/32/48/1072743248.db2.gz DAHNCAITCAOSOK-SGTLLEGYSA-N 0 1 408.861 3.567 20 5 HHBDMN CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000555276639 1073315253 /nfs/dbraw/zinc/31/52/53/1073315253.db2.gz SBYBVFPKUNQUTD-ZDUSSCGKSA-N 0 1 407.430 3.961 20 5 HHBDMN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(F)c(Br)c1 ZINC000590194977 1073644196 /nfs/dbraw/zinc/64/41/96/1073644196.db2.gz OSWLPAGGFZMCAP-DIFFPNOSSA-N 0 1 422.254 3.953 20 5 HHBDMN COC(=O)c1c(Cl)c(N2CCCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000590571503 1073922166 /nfs/dbraw/zinc/92/21/66/1073922166.db2.gz CUBDMOBMHGAKFN-UHFFFAOYSA-N 0 1 403.866 3.747 20 5 HHBDMN COC(=O)c1c(Cl)c(Nc2cccc(N3CCC[NH+]=C3[O-])c2)ccc1[N+](=O)[O-] ZINC000590578319 1073927149 /nfs/dbraw/zinc/92/71/49/1073927149.db2.gz PSTOWUDYBBLDBM-UHFFFAOYSA-N 0 1 404.810 3.698 20 5 HHBDMN Cc1nccn1-c1c(Cl)cccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000590592710 1073931510 /nfs/dbraw/zinc/93/15/10/1073931510.db2.gz VIYAKAXSKZRDFV-UHFFFAOYSA-N 0 1 406.851 3.852 20 5 HHBDMN COc1cc(CN2CCC[C@H](CO)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000574932992 1075440607 /nfs/dbraw/zinc/44/06/07/1075440607.db2.gz WNCYYWQIPIQKNR-KRWDZBQOSA-N 0 1 400.475 3.777 20 5 HHBDMN Cc1ccc(CN2CCOC3(CCN(c4cc(Cl)cc([N+](=O)[O-])n4)CC3)C2)cc1 ZINC001164940539 721924665 /nfs/dbraw/zinc/92/46/65/721924665.db2.gz SSUFJYFWXKMRGP-UHFFFAOYSA-N 0 1 416.909 3.823 20 5 HHBDMN C[C@@H]1C[C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000301611806 971001732 /nfs/dbraw/zinc/00/17/32/971001732.db2.gz FBXNIDGXMOTHCH-VQIMIIECSA-N 0 1 419.485 3.634 20 5 HHBDMN COC(=O)c1cc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc(C)c1[N+](=O)[O-] ZINC000301955429 971131955 /nfs/dbraw/zinc/13/19/55/971131955.db2.gz KPAFXCUAQIFIQC-KRWDZBQOSA-N 0 1 407.430 3.816 20 5 HHBDMN COC(=O)c1cc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc(C)c1[N+](=O)[O-] ZINC000301955429 971131959 /nfs/dbraw/zinc/13/19/59/971131959.db2.gz KPAFXCUAQIFIQC-KRWDZBQOSA-N 0 1 407.430 3.816 20 5 HHBDMN CN1CC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301967505 971136316 /nfs/dbraw/zinc/13/63/16/971136316.db2.gz OUKILRIDVKUJRS-KPZWWZAWSA-N 0 1 404.833 3.535 20 5 HHBDMN Cc1ccc([C@H](C)NC2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)cc1[N+](=O)[O-] ZINC000542137025 1013069365 /nfs/dbraw/zinc/06/93/65/1013069365.db2.gz ZOAQQPDXGFZHIO-HNNXBMFYSA-N 0 1 406.479 3.606 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000303777646 972021770 /nfs/dbraw/zinc/02/17/70/972021770.db2.gz ICIAGPDFKZSCRJ-MJGOQNOKSA-N 0 1 417.531 3.577 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1c1cccc(Br)c1 ZINC000542210116 1013156358 /nfs/dbraw/zinc/15/63/58/1013156358.db2.gz NFIOSAZTJYGCBS-SJORKVTESA-N 0 1 421.291 3.934 20 5 HHBDMN Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000537633689 1013188488 /nfs/dbraw/zinc/18/84/88/1013188488.db2.gz TXKUCOJHKARZAE-KRWDZBQOSA-N 0 1 412.881 3.824 20 5 HHBDMN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000008033581 961407469 /nfs/dbraw/zinc/40/74/69/961407469.db2.gz CHXVTHXKZCARES-AUUYWEPGSA-N 0 1 417.487 3.704 20 5 HHBDMN C[C@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000014389232 962496885 /nfs/dbraw/zinc/49/68/85/962496885.db2.gz GRPKDTBZDVWOIA-VIFPVBQESA-N 0 1 416.488 3.833 20 5 HHBDMN C[C@H](Sc1n[nH]c(C2CC2)n1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000014389232 962496894 /nfs/dbraw/zinc/49/68/94/962496894.db2.gz GRPKDTBZDVWOIA-VIFPVBQESA-N 0 1 416.488 3.833 20 5 HHBDMN O=C(NC1CC1)[C@H](NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000015500296 962776166 /nfs/dbraw/zinc/77/61/66/962776166.db2.gz VUWGIOSLGBGXOZ-GOSISDBHSA-N 0 1 422.407 3.635 20 5 HHBDMN COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1OC1CCCC1 ZINC000542443218 1013393088 /nfs/dbraw/zinc/39/30/88/1013393088.db2.gz HGNKFRBNNWOGEH-UHFFFAOYSA-N 0 1 423.429 3.962 20 5 HHBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000020936123 963406020 /nfs/dbraw/zinc/40/60/20/963406020.db2.gz VEWGQPXCKWYYBD-IBGZPJMESA-N 0 1 400.479 3.723 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000023229080 963786961 /nfs/dbraw/zinc/78/69/61/963786961.db2.gz QQFSRKDRMLTEBV-INIZCTEOSA-N 0 1 414.531 3.856 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000542500206 1013445224 /nfs/dbraw/zinc/44/52/24/1013445224.db2.gz SYEBJZIPAKYCOW-AWEZNQCLSA-N 0 1 405.882 3.784 20 5 HHBDMN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000023388867 963815745 /nfs/dbraw/zinc/81/57/45/963815745.db2.gz GEXGVSFKUIDUEP-QFIPXVFZSA-N 0 1 402.410 3.756 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](c1ccccc1)c1ccccn1 ZINC000026230649 964495925 /nfs/dbraw/zinc/49/59/25/964495925.db2.gz AZNLCSIITBBYLU-JOCHJYFZSA-N 0 1 406.442 3.706 20 5 HHBDMN CC(C)[C@H](C)N(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000027232486 964826370 /nfs/dbraw/zinc/82/63/70/964826370.db2.gz NVTGSSJILGDPPL-AWEZNQCLSA-N 0 1 405.476 3.512 20 5 HHBDMN CNc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000027573281 964921392 /nfs/dbraw/zinc/92/13/92/964921392.db2.gz KGBYHPCWZFWBEM-SFHVURJKSA-N 0 1 402.520 3.901 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000027574187 964922233 /nfs/dbraw/zinc/92/22/33/964922233.db2.gz AJHNBUUZAGXLTD-QGZVFWFLSA-N 0 1 403.504 3.868 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccccc2OC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000057124681 965298323 /nfs/dbraw/zinc/29/83/23/965298323.db2.gz CCBSQIVYBOVWRF-OAHLLOKOSA-N 0 1 406.460 3.652 20 5 HHBDMN CC[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000029908700 965553228 /nfs/dbraw/zinc/55/32/28/965553228.db2.gz DZGJXBYAKVXZNH-FQEVSTJZSA-N 0 1 408.502 3.736 20 5 HHBDMN C[C@H](C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000542652044 1013582543 /nfs/dbraw/zinc/58/25/43/1013582543.db2.gz UIXBBIZMAITQTI-SCLBCKFNSA-N 0 1 409.421 3.986 20 5 HHBDMN C[C@H](C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000542652044 1013582548 /nfs/dbraw/zinc/58/25/48/1013582548.db2.gz UIXBBIZMAITQTI-SCLBCKFNSA-N 0 1 409.421 3.986 20 5 HHBDMN O=C(CCN1CCN(Cc2ccc(F)cc2Cl)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000030154972 965622957 /nfs/dbraw/zinc/62/29/57/965622957.db2.gz YYNGKSHRRACMMZ-UHFFFAOYSA-N 0 1 420.872 3.534 20 5 HHBDMN C[C@H](NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000538021292 1013592195 /nfs/dbraw/zinc/59/21/95/1013592195.db2.gz PGDJFZLDMPBDIJ-NSHDSACASA-N 0 1 402.252 3.993 20 5 HHBDMN C[C@H](NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000538021292 1013592201 /nfs/dbraw/zinc/59/22/01/1013592201.db2.gz PGDJFZLDMPBDIJ-NSHDSACASA-N 0 1 402.252 3.993 20 5 HHBDMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000031240457 965949977 /nfs/dbraw/zinc/94/99/77/965949977.db2.gz IZARTPUWSDBCGV-UHFFFAOYSA-N 0 1 424.526 3.752 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000055650894 965997042 /nfs/dbraw/zinc/99/70/42/965997042.db2.gz LYDJZYIYEZSALP-UHFFFAOYSA-N 0 1 417.487 3.720 20 5 HHBDMN CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000060569515 966210166 /nfs/dbraw/zinc/21/01/66/966210166.db2.gz WPKLWDQZSZWOFP-IEBWSBKVSA-N 0 1 417.531 3.749 20 5 HHBDMN CCN(CC)[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1Cl ZINC000032317648 966221880 /nfs/dbraw/zinc/22/18/80/966221880.db2.gz WHGLAYPGZKTWTQ-QGZVFWFLSA-N 0 1 419.865 3.790 20 5 HHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000056159848 966240043 /nfs/dbraw/zinc/24/00/43/966240043.db2.gz ABGAGAGXDRDIFF-KGLIPLIRSA-N 0 1 411.462 3.557 20 5 HHBDMN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C(F)(F)F)c1 ZINC000032589574 966288358 /nfs/dbraw/zinc/28/83/58/966288358.db2.gz BECMZPAZOXQGFK-UHFFFAOYSA-N 0 1 417.365 3.681 20 5 HHBDMN COc1cccc([C@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000041816135 966642080 /nfs/dbraw/zinc/64/20/80/966642080.db2.gz PYSQIHIKEPQMDT-FQEVSTJZSA-N 0 1 415.515 3.892 20 5 HHBDMN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000538101294 1013670406 /nfs/dbraw/zinc/67/04/06/1013670406.db2.gz URUAGNKLGOPSQX-RDJZCZTQSA-N 0 1 404.785 3.524 20 5 HHBDMN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000538101296 1013670449 /nfs/dbraw/zinc/67/04/49/1013670449.db2.gz URUAGNKLGOPSQX-WBVHZDCISA-N 0 1 404.785 3.524 20 5 HHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(OCc2cccnc2)cc1 ZINC000043049370 966892661 /nfs/dbraw/zinc/89/26/61/966892661.db2.gz YLRQOAIQBJLYCS-AWEZNQCLSA-N 0 1 417.425 3.936 20 5 HHBDMN CC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1OC(F)F ZINC000538155348 1013716375 /nfs/dbraw/zinc/71/63/75/1013716375.db2.gz URESEHZZSOWRGP-MRXNPFEDSA-N 0 1 405.401 3.826 20 5 HHBDMN C[C@H](NCC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1cccc([N+](=O)[O-])c1 ZINC000538177386 1013736456 /nfs/dbraw/zinc/73/64/56/1013736456.db2.gz VMKKHSIYOBNLIL-LBPRGKRZSA-N 0 1 405.838 3.699 20 5 HHBDMN O=C(CN[C@H](COc1ccccc1)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000538217074 1013768904 /nfs/dbraw/zinc/76/89/04/1013768904.db2.gz ZBYBTSADHFGMIU-JOCHJYFZSA-N 0 1 417.465 3.894 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000047609133 968257278 /nfs/dbraw/zinc/25/72/78/968257278.db2.gz LURDREIJFVBUCQ-LSDHHAIUSA-N 0 1 401.463 3.988 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1cccs1 ZINC000047718486 968286325 /nfs/dbraw/zinc/28/63/25/968286325.db2.gz FSZQCXJTZZKOBE-CQSZACIVSA-N 0 1 417.409 3.630 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccsc1 ZINC000048093783 968420039 /nfs/dbraw/zinc/42/00/39/968420039.db2.gz AYCHSGQUYGNKBH-HNNXBMFYSA-N 0 1 417.409 3.630 20 5 HHBDMN COc1cccc([C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)N2CCCC2)c1 ZINC000048297771 968515408 /nfs/dbraw/zinc/51/54/08/968515408.db2.gz AETKXTJNNKWDQE-FQEVSTJZSA-N 0 1 408.458 3.652 20 5 HHBDMN C[C@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@H](C)O1 ZINC000107926838 969345371 /nfs/dbraw/zinc/34/53/71/969345371.db2.gz CWIMWVBRLGACKS-IRXDYDNUSA-N 0 1 413.474 3.616 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000109298979 969493281 /nfs/dbraw/zinc/49/32/81/969493281.db2.gz ACBREPRMHPDOML-IBGZPJMESA-N 0 1 400.479 3.601 20 5 HHBDMN Cc1nn(C)c(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)c1[N+](=O)[O-] ZINC000195641977 969928551 /nfs/dbraw/zinc/92/85/51/969928551.db2.gz ROQYGFWRODMQCG-UHFFFAOYSA-N 0 1 412.356 3.711 20 5 HHBDMN COc1ccc2ccccc2c1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000195669236 969945031 /nfs/dbraw/zinc/94/50/31/969945031.db2.gz CSXWJOHXTFRYBE-UHFFFAOYSA-N 0 1 406.847 3.889 20 5 HHBDMN COc1ccc([C@@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Br ZINC000216016680 970060718 /nfs/dbraw/zinc/06/07/18/970060718.db2.gz PNOHPFNKDQFVST-GFCCVEGCSA-N 0 1 422.279 3.964 20 5 HHBDMN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C(F)(F)F)c1 ZINC000217210501 970083722 /nfs/dbraw/zinc/08/37/22/970083722.db2.gz FHQBHTZFWVTTOR-UHFFFAOYSA-N 0 1 417.365 3.681 20 5 HHBDMN CC(C)N1CC[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O ZINC000236622355 970146956 /nfs/dbraw/zinc/14/69/56/970146956.db2.gz PBXPUMANKLLBNT-NRFANRHFSA-N 0 1 419.485 3.546 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])[nH]c2c1 ZINC000142587062 970162482 /nfs/dbraw/zinc/16/24/82/970162482.db2.gz PYKLSNVVWNILFE-QGZVFWFLSA-N 0 1 400.460 3.614 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])cc1CNCCC(=O)Nc1ccc(Br)cc1 ZINC000236842038 970179704 /nfs/dbraw/zinc/17/97/04/970179704.db2.gz DJHSBSCZJXXGML-UHFFFAOYSA-N 0 1 422.279 3.874 20 5 HHBDMN CCS(=O)(=O)C[C@H](C)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000237011296 970206897 /nfs/dbraw/zinc/20/68/97/970206897.db2.gz FGUGWWXFWBPVOX-ZDUSSCGKSA-N 0 1 412.895 3.953 20 5 HHBDMN COc1cc(CNCCOc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000237183618 970237599 /nfs/dbraw/zinc/23/75/99/970237599.db2.gz ORTLGEDSBRKVMT-UHFFFAOYSA-N 0 1 400.353 3.799 20 5 HHBDMN Cc1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000237799572 970369897 /nfs/dbraw/zinc/36/98/97/970369897.db2.gz ZTRXSAVCYKGOET-QGZVFWFLSA-N 0 1 405.401 3.790 20 5 HHBDMN CC(C)[C@@H](CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000301081092 970738378 /nfs/dbraw/zinc/73/83/78/970738378.db2.gz QGJVERBPQUYCLP-MRXNPFEDSA-N 0 1 408.852 3.951 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Br)cc1F ZINC000314042693 972637068 /nfs/dbraw/zinc/63/70/68/972637068.db2.gz NJOBFKNGWHHISA-UHFFFAOYSA-N 0 1 409.620 3.951 20 5 HHBDMN C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554847136 1014073348 /nfs/dbraw/zinc/07/33/48/1014073348.db2.gz RGNWSNPOPYWFGD-AWEZNQCLSA-N 0 1 407.873 3.909 20 5 HHBDMN O=C(CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000410026015 973504312 /nfs/dbraw/zinc/50/43/12/973504312.db2.gz COAGXBIOUWMUKT-UHFFFAOYSA-N 0 1 422.407 3.764 20 5 HHBDMN CCN1CCN(c2ccc(-c3noc(C(C)(C)c4ccccc4[N+](=O)[O-])n3)cn2)CC1 ZINC000426438353 974449014 /nfs/dbraw/zinc/44/90/14/974449014.db2.gz SPIFHLUYHVRCTE-UHFFFAOYSA-N 0 1 422.489 3.508 20 5 HHBDMN O=C([O-])[C@H](CN1CCCc2ccccc21)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426734475 974623438 /nfs/dbraw/zinc/62/34/38/974623438.db2.gz APMPPKJTQVJBAT-FQEVSTJZSA-N 0 1 421.453 3.850 20 5 HHBDMN CCC(C)(C)CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000428199660 975524340 /nfs/dbraw/zinc/52/43/40/975524340.db2.gz OADPXNPFVMRQJJ-UHFFFAOYSA-N 0 1 405.476 3.562 20 5 HHBDMN CSc1nsc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1 ZINC000429060539 976347723 /nfs/dbraw/zinc/34/77/23/976347723.db2.gz AHGOTMIJRUMOQT-UHFFFAOYSA-N 0 1 402.457 4.000 20 5 HHBDMN C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000429849527 977120573 /nfs/dbraw/zinc/12/05/73/977120573.db2.gz SGJMOTFQZQUSKE-CYBMUJFWSA-N 0 1 418.291 3.534 20 5 HHBDMN C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000429849528 977120978 /nfs/dbraw/zinc/12/09/78/977120978.db2.gz SGJMOTFQZQUSKE-ZDUSSCGKSA-N 0 1 418.291 3.534 20 5 HHBDMN COc1cc(N[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3OC)C2)cc(OC)c1 ZINC000430204974 977390154 /nfs/dbraw/zinc/39/01/54/977390154.db2.gz SYCHFDSPWMOAOC-MRXNPFEDSA-N 0 1 401.463 3.697 20 5 HHBDMN C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000431918353 978600463 /nfs/dbraw/zinc/60/04/63/978600463.db2.gz HJOAPHCEFMQDLJ-GDBMZVCRSA-N 0 1 423.922 3.580 20 5 HHBDMN C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000431918353 978600467 /nfs/dbraw/zinc/60/04/67/978600467.db2.gz HJOAPHCEFMQDLJ-GDBMZVCRSA-N 0 1 423.922 3.580 20 5 HHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(OCC(F)(F)F)c1 ZINC000432933282 979015410 /nfs/dbraw/zinc/01/54/10/979015410.db2.gz MUSZBYMDAIXBJJ-UHFFFAOYSA-N 0 1 407.308 3.573 20 5 HHBDMN CNS(=O)(=O)c1ccc([C@H](C)N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433152987 979102405 /nfs/dbraw/zinc/10/24/05/979102405.db2.gz UNGFEBYCGCNYTR-DJJJIMSYSA-N 0 1 403.504 3.576 20 5 HHBDMN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433152988 979102508 /nfs/dbraw/zinc/10/25/08/979102508.db2.gz UNGFEBYCGCNYTR-ORAYPTAESA-N 0 1 403.504 3.576 20 5 HHBDMN CC(=O)N1CCN(c2ccccc2CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433164273 979110290 /nfs/dbraw/zinc/11/02/90/979110290.db2.gz DVMWPOAHEDFAKB-JOCHJYFZSA-N 0 1 422.529 3.776 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCN(Cc3cccc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000433867040 979636695 /nfs/dbraw/zinc/63/66/95/979636695.db2.gz HJICBCOXYCLFMF-UHFFFAOYSA-N 0 1 407.474 3.553 20 5 HHBDMN CCCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000434190881 979956518 /nfs/dbraw/zinc/95/65/18/979956518.db2.gz KNFFUAZZHVYOLL-SFHVURJKSA-N 0 1 413.522 3.958 20 5 HHBDMN O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1CCC(c2cnc[nH]2)CC1 ZINC000434282657 980042628 /nfs/dbraw/zinc/04/26/28/980042628.db2.gz MTYGOYVWAOWDEP-UHFFFAOYSA-N 0 1 405.458 3.950 20 5 HHBDMN O=C(NC[C@H]1CCCCN1C1CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000434427298 980167220 /nfs/dbraw/zinc/16/72/20/980167220.db2.gz ZUNFHZPOKZELHD-MRXNPFEDSA-N 0 1 411.452 3.706 20 5 HHBDMN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCN(c2cnccn2)CC1 ZINC000435044173 980592113 /nfs/dbraw/zinc/59/21/13/980592113.db2.gz TXRXYTOMGHDANO-UHFFFAOYSA-N 0 1 410.503 3.609 20 5 HHBDMN Cc1c(NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc(Br)cc1[N+](=O)[O-] ZINC000435318664 980778756 /nfs/dbraw/zinc/77/87/56/980778756.db2.gz IFPYTQJKGYZBRE-SECBINFHSA-N 0 1 411.260 3.790 20 5 HHBDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000435532881 980925423 /nfs/dbraw/zinc/92/54/23/980925423.db2.gz GUUKTBADNIPNMU-UHFFFAOYSA-N 0 1 420.513 3.975 20 5 HHBDMN COc1cccc(C(=O)Nc2cc(CN3CCSCC3)ccc2C)c1[N+](=O)[O-] ZINC000435691038 980988815 /nfs/dbraw/zinc/98/88/15/980988815.db2.gz CQTODYTXXPZZAT-UHFFFAOYSA-N 0 1 401.488 3.713 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 ZINC000435815100 981042868 /nfs/dbraw/zinc/04/28/68/981042868.db2.gz ASOWCMBKIZPIST-FQEVSTJZSA-N 0 1 421.447 3.992 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1ccccc1 ZINC000435820596 981045490 /nfs/dbraw/zinc/04/54/90/981045490.db2.gz XTBAQVAJLJMFRG-NRFANRHFSA-N 0 1 421.447 3.992 20 5 HHBDMN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1 ZINC000435889952 981078983 /nfs/dbraw/zinc/07/89/83/981078983.db2.gz QPYLSOUHAUHHFA-YVEFUNNKSA-N 0 1 404.264 3.813 20 5 HHBDMN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436140506 981216620 /nfs/dbraw/zinc/21/66/20/981216620.db2.gz ROUPNWFGRFFEHI-KGLIPLIRSA-N 0 1 413.468 3.810 20 5 HHBDMN C[N@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436729994 981535399 /nfs/dbraw/zinc/53/53/99/981535399.db2.gz DCJLCKLZIWZGTM-PXAZEXFGSA-N 0 1 407.829 3.516 20 5 HHBDMN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000436883399 981600723 /nfs/dbraw/zinc/60/07/23/981600723.db2.gz FLNMTXMZQVLZEX-UHFFFAOYSA-N 0 1 423.391 3.667 20 5 HHBDMN COc1ccc(-c2ccc(CN3C[C@@H](C)OC4(CCOCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000448357708 981721601 /nfs/dbraw/zinc/72/16/01/981721601.db2.gz YCQKFZSMAVFMQM-OAHLLOKOSA-N 0 1 402.447 3.633 20 5 HHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)n2)cc1 ZINC000437491176 982118309 /nfs/dbraw/zinc/11/83/09/982118309.db2.gz OZEOPEWHBDSABH-UHFFFAOYSA-N 0 1 423.498 3.972 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439319243 983362925 /nfs/dbraw/zinc/36/29/25/983362925.db2.gz RWXSGFUYZCGGTF-KRWDZBQOSA-N 0 1 408.857 3.949 20 5 HHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000439773757 983533040 /nfs/dbraw/zinc/53/30/40/983533040.db2.gz ZXCRHQOAPUWTAZ-AWEZNQCLSA-N 0 1 400.504 3.667 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1-c1nncn1C(C)C ZINC000439913295 983580993 /nfs/dbraw/zinc/58/09/93/983580993.db2.gz LZPWTLXGNKDFGT-UHFFFAOYSA-N 0 1 401.448 3.543 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000440074624 983634179 /nfs/dbraw/zinc/63/41/79/983634179.db2.gz HJYGRLQHBKRNKT-UHFFFAOYSA-N 0 1 415.393 3.582 20 5 HHBDMN CCCOc1ccc2c(c1)CCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC000441082160 984060023 /nfs/dbraw/zinc/06/00/23/984060023.db2.gz VZBYBOQINPJGLU-UHFFFAOYSA-N 0 1 413.474 3.779 20 5 HHBDMN Cc1ccc([C@@H](Cn2ccnc2)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441378729 984219258 /nfs/dbraw/zinc/21/92/58/984219258.db2.gz OINYGMZPOIAEMM-FXAWDEMLSA-N 0 1 407.474 3.766 20 5 HHBDMN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000441543909 984313977 /nfs/dbraw/zinc/31/39/77/984313977.db2.gz RRBLTNHVGJGSCJ-OAHLLOKOSA-N 0 1 420.878 3.959 20 5 HHBDMN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442354964 984860465 /nfs/dbraw/zinc/86/04/65/984860465.db2.gz FERVCDQWHDPNBS-CQSZACIVSA-N 0 1 417.487 3.576 20 5 HHBDMN Cc1cc(N2CC[C@@H](NCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Br ZINC000462378942 985362045 /nfs/dbraw/zinc/36/20/45/985362045.db2.gz FPYIOZKOQZSSFR-QGZVFWFLSA-N 0 1 404.264 3.561 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](CCCO)c1ccccc1 ZINC000443234386 985455667 /nfs/dbraw/zinc/45/56/67/985455667.db2.gz GECPPOYIMHSFPB-CQSZACIVSA-N 0 1 419.286 3.694 20 5 HHBDMN CO[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000462575786 985522916 /nfs/dbraw/zinc/52/29/16/985522916.db2.gz PQEXCQVVQURRAC-CQSZACIVSA-N 0 1 405.259 3.568 20 5 HHBDMN Cc1cc(NC(=O)c2ccc(CN3CCSCC3)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000462593515 985539119 /nfs/dbraw/zinc/53/91/19/985539119.db2.gz POBJUOVAMHJXEL-UHFFFAOYSA-N 0 1 422.510 3.674 20 5 HHBDMN COc1ccc(OC)c(NC(=O)C[C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000468037723 985694327 /nfs/dbraw/zinc/69/43/27/985694327.db2.gz JTUMCGVBFOTZIY-LBPRGKRZSA-N 0 1 407.854 3.772 20 5 HHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000462773834 985709534 /nfs/dbraw/zinc/70/95/34/985709534.db2.gz ABZWAVBVLKSWEL-OAQYLSRUSA-N 0 1 417.550 3.515 20 5 HHBDMN CNc1c(C(=O)NC[C@H](c2ccccc2OC)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000462925952 985859812 /nfs/dbraw/zinc/85/98/12/985859812.db2.gz NXEZVSMMDPMGKM-LJQANCHMSA-N 0 1 412.490 3.602 20 5 HHBDMN CN1CCN(Cc2cccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)CC1 ZINC000463152080 986122692 /nfs/dbraw/zinc/12/26/92/986122692.db2.gz NJAMWABGMUHIDO-UHFFFAOYSA-N 0 1 422.407 3.613 20 5 HHBDMN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000443944541 986152365 /nfs/dbraw/zinc/15/23/65/986152365.db2.gz UXEVPTJGKVMENI-HQJQHLMTSA-N 0 1 419.219 3.613 20 5 HHBDMN CCOc1ccc(NC(=O)CN2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000463203141 986174721 /nfs/dbraw/zinc/17/47/21/986174721.db2.gz JUXALAOTDSWJSO-OQKHSGFDSA-N 0 1 419.522 3.584 20 5 HHBDMN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H](N2CCCCC2)C1 ZINC000444008183 986203629 /nfs/dbraw/zinc/20/36/29/986203629.db2.gz HPZQLROPYCFQKJ-HNNXBMFYSA-N 0 1 411.452 3.660 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C[NH+]3CCSCC3)c2)cc1C ZINC000444035489 986231682 /nfs/dbraw/zinc/23/16/82/986231682.db2.gz ARYQLTZISUGZKB-UHFFFAOYSA-N 0 1 421.544 3.561 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2CCc2ccc(OC)c(OC)c2)c1[N+](=O)[O-] ZINC000444145098 986331595 /nfs/dbraw/zinc/33/15/95/986331595.db2.gz VXXNODINBDTPGJ-HNNXBMFYSA-N 0 1 416.478 3.525 20 5 HHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000468641065 986356887 /nfs/dbraw/zinc/35/68/87/986356887.db2.gz CLAANNGWDKPKPD-FOWTUZBSSA-N 0 1 417.531 3.865 20 5 HHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000468752435 986467003 /nfs/dbraw/zinc/46/70/03/986467003.db2.gz ACROGTJNAAFHLR-UHFFFAOYSA-N 0 1 417.878 3.750 20 5 HHBDMN CCc1[nH]nc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)c1[N+](=O)[O-] ZINC000444335135 986513460 /nfs/dbraw/zinc/51/34/60/986513460.db2.gz JYRJCLNPYAZJTD-UHFFFAOYSA-N 0 1 403.402 3.585 20 5 HHBDMN CCc1[nH]nc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1[N+](=O)[O-] ZINC000444335135 986513468 /nfs/dbraw/zinc/51/34/68/986513468.db2.gz JYRJCLNPYAZJTD-UHFFFAOYSA-N 0 1 403.402 3.585 20 5 HHBDMN COc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c(O)c2)cc1[N+](=O)[O-] ZINC000444371419 986548652 /nfs/dbraw/zinc/54/86/52/986548652.db2.gz HACYIAAEROPUCU-UHFFFAOYSA-N 0 1 413.430 3.624 20 5 HHBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463626732 986602387 /nfs/dbraw/zinc/60/23/87/986602387.db2.gz HTLVTPIILUUSPG-UHFFFAOYSA-N 0 1 414.531 3.527 20 5 HHBDMN CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c(C(F)(F)F)c1 ZINC000468896299 986603477 /nfs/dbraw/zinc/60/34/77/986603477.db2.gz ITMLBUNHAFNXFZ-UHFFFAOYSA-N 0 1 420.365 3.822 20 5 HHBDMN COc1ccc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000469496496 987175709 /nfs/dbraw/zinc/17/57/09/987175709.db2.gz VMVLKAWNALOQDD-INIZCTEOSA-N 0 1 411.380 3.655 20 5 HHBDMN CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000469547353 987219575 /nfs/dbraw/zinc/21/95/75/987219575.db2.gz OPCQLLTXCSAZPU-LJQANCHMSA-N 0 1 405.520 3.567 20 5 HHBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000470147556 988054978 /nfs/dbraw/zinc/05/49/78/988054978.db2.gz PQRLAPZHZWJKKK-AWEZNQCLSA-N 0 1 424.314 3.782 20 5 HHBDMN Cc1nn(C(C)(C)C)cc1[C@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000464361667 988518405 /nfs/dbraw/zinc/51/84/05/988518405.db2.gz HUVKDNVWLZBDQU-NSHDSACASA-N 0 1 400.888 3.548 20 5 HHBDMN Cc1ccc([C@@H](NCCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c2ccccn2)cc1 ZINC000471081027 989175855 /nfs/dbraw/zinc/17/58/55/989175855.db2.gz ZTBVSDVELCMKDI-JOCHJYFZSA-N 0 1 418.453 3.975 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Br)cc1C ZINC000471930808 990096390 /nfs/dbraw/zinc/09/63/90/990096390.db2.gz JBXKENKKPHFRRC-UHFFFAOYSA-N 0 1 415.265 3.613 20 5 HHBDMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000466296007 991547282 /nfs/dbraw/zinc/54/72/82/991547282.db2.gz GCMOSJNRKBZDEQ-UHFFFAOYSA-N 0 1 414.437 3.801 20 5 HHBDMN Cc1ccc(CN[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000466451016 991741623 /nfs/dbraw/zinc/74/16/23/991741623.db2.gz CNDHDUCGRXDCJT-INIZCTEOSA-N 0 1 407.392 3.813 20 5 HHBDMN Cc1sc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467081701 992387535 /nfs/dbraw/zinc/38/75/35/992387535.db2.gz NDMXVAJCLMNXBL-WMLDXEAASA-N 0 1 423.560 3.638 20 5 HHBDMN Cn1c2ccccc2nc1-c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000467081357 992388049 /nfs/dbraw/zinc/38/80/49/992388049.db2.gz MILDNMTXZVBPPI-UHFFFAOYSA-N 0 1 408.439 3.949 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2CC(=O)OC(C)(C)C)c1C ZINC000467082166 992388708 /nfs/dbraw/zinc/38/87/08/992388708.db2.gz OSNMMEMUSJDXDV-UHFFFAOYSA-N 0 1 420.487 3.897 20 5 HHBDMN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000467554445 992834914 /nfs/dbraw/zinc/83/49/14/992834914.db2.gz PIPXVPMUQGMANV-KRWDZBQOSA-N 0 1 406.870 3.868 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1C ZINC000480987136 993828921 /nfs/dbraw/zinc/82/89/21/993828921.db2.gz GJOXDVRPXRTFFG-LPHOPBHVSA-N 0 1 417.531 3.543 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000481075501 993914766 /nfs/dbraw/zinc/91/47/66/993914766.db2.gz RVTYBUKQKDIAND-IYBDPMFKSA-N 0 1 419.503 3.626 20 5 HHBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000481303360 994119992 /nfs/dbraw/zinc/11/99/92/994119992.db2.gz FXKPVOXPXBNITE-UHFFFAOYSA-N 0 1 422.182 3.636 20 5 HHBDMN COc1ccc(NC(=O)CN(CC(C)C)[C@@H]2CCCc3cccnc32)c([N+](=O)[O-])c1 ZINC000481326164 994145588 /nfs/dbraw/zinc/14/55/88/994145588.db2.gz APMPFSPBHSCYNS-LJQANCHMSA-N 0 1 412.490 3.973 20 5 HHBDMN Cc1cc(NC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000473770694 994690946 /nfs/dbraw/zinc/69/09/46/994690946.db2.gz MOIFCQFIGXWFSQ-HNNXBMFYSA-N 0 1 415.469 3.677 20 5 HHBDMN CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482002421 994904228 /nfs/dbraw/zinc/90/42/28/994904228.db2.gz XQBDMEXRVIPFBU-MRXNPFEDSA-N 0 1 411.911 3.706 20 5 HHBDMN COc1cccc([C@H]2[C@H](NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CCN2C2CC2)c1 ZINC000482042754 994962866 /nfs/dbraw/zinc/96/28/66/994962866.db2.gz CUZYBKSPMJPQPB-GCJKJVERSA-N 0 1 420.469 3.793 20 5 HHBDMN COc1cccc([C@@H]2[C@H](NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CCN2C2CC2)c1 ZINC000482102897 995048877 /nfs/dbraw/zinc/04/88/77/995048877.db2.gz MCJMYDXLKJHNJJ-FGZHOGPDSA-N 0 1 420.469 3.793 20 5 HHBDMN CC(C)c1ccc(C(=O)N2CCC(CCCN3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000474178833 995168703 /nfs/dbraw/zinc/16/87/03/995168703.db2.gz RJOOEBAENRMDQP-UHFFFAOYSA-N 0 1 403.523 3.683 20 5 HHBDMN COc1cc(C(=O)Nc2cc(C)cc(Br)c2O)c([N+](=O)[O-])cc1OC ZINC000482548563 995556121 /nfs/dbraw/zinc/55/61/21/995556121.db2.gz HPVLFKHVOAOZKQ-UHFFFAOYSA-N 0 1 411.208 3.641 20 5 HHBDMN O=C(CCc1ccc(Br)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000483188482 996027058 /nfs/dbraw/zinc/02/70/58/996027058.db2.gz AWQLZNAUTPFIAN-UHFFFAOYSA-N 0 1 416.235 3.714 20 5 HHBDMN C[C@@H]1CCC[C@@H](N(Cc2c([N+](=O)[O-])ncn2C)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000475524610 996200744 /nfs/dbraw/zinc/20/07/44/996200744.db2.gz ALWPWINLMBOWFM-BFYDXBDKSA-N 0 1 400.479 3.884 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1SC ZINC000483470790 996201197 /nfs/dbraw/zinc/20/11/97/996201197.db2.gz PFRJYCBRBLSAIE-HOCLYGCPSA-N 0 1 415.515 3.891 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)N2CCN(CC3CCCCC3)CC2)cc1SC ZINC000483495603 996218030 /nfs/dbraw/zinc/21/80/30/996218030.db2.gz BVIIZXBHGCRSMM-UHFFFAOYSA-N 0 1 407.536 3.663 20 5 HHBDMN O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475612329 996247776 /nfs/dbraw/zinc/24/77/76/996247776.db2.gz NZSQGYMRQGOHHB-UHFFFAOYSA-N 0 1 409.373 3.622 20 5 HHBDMN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c(Br)c1 ZINC000475812811 996386816 /nfs/dbraw/zinc/38/68/16/996386816.db2.gz NODOIKCCRSAVQV-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN O=C(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476010472 996539435 /nfs/dbraw/zinc/53/94/35/996539435.db2.gz JSDGXHMPABBPCT-HXUWFJFHSA-N 0 1 420.400 3.961 20 5 HHBDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)C2 ZINC000476122738 996615214 /nfs/dbraw/zinc/61/52/14/996615214.db2.gz SUYJQBNQFHJVRJ-VBKZILBWSA-N 0 1 400.504 3.820 20 5 HHBDMN C[C@H](C[S@](C)=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000484705312 997043793 /nfs/dbraw/zinc/04/37/93/997043793.db2.gz QHHGTAWSTOYPGA-BCOMRZATSA-N 0 1 412.515 3.646 20 5 HHBDMN COc1c(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cccc1[N+](=O)[O-] ZINC000476591591 997094590 /nfs/dbraw/zinc/09/45/90/997094590.db2.gz DEVJGVKNLKBXGY-HNNXBMFYSA-N 0 1 413.478 3.789 20 5 HHBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485081176 997452014 /nfs/dbraw/zinc/45/20/14/997452014.db2.gz UYCUTKGRAQKCHH-CQSZACIVSA-N 0 1 411.430 3.825 20 5 HHBDMN 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CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000494480179 1000515162 /nfs/dbraw/zinc/51/51/62/1000515162.db2.gz QYYVIPFFQVJJDV-AWEZNQCLSA-N 0 1 418.444 3.506 20 5 HHBDMN O=C1[C@H](N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000494492784 1000522125 /nfs/dbraw/zinc/52/21/25/1000522125.db2.gz MGKBZHVVVNHLAR-OTWHNJEPSA-N 0 1 419.840 3.612 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000494597350 1000568245 /nfs/dbraw/zinc/56/82/45/1000568245.db2.gz OUXUFFWNMNGAEG-UHFFFAOYSA-N 0 1 403.866 3.651 20 5 HHBDMN Cc1cccc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)c1[N+](=O)[O-] ZINC000505785778 1001022744 /nfs/dbraw/zinc/02/27/44/1001022744.db2.gz WSIPVMAFHCTQGG-UHFFFAOYSA-N 0 1 410.474 3.970 20 5 HHBDMN CN(C(=O)Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000505786674 1001023616 /nfs/dbraw/zinc/02/36/16/1001023616.db2.gz DRIKGXRWVPUAFX-UHFFFAOYSA-N 0 1 405.410 3.758 20 5 HHBDMN 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/nfs/dbraw/zinc/59/97/29/1003599729.db2.gz GBCATZZTTHVSPX-UHFFFAOYSA-N 0 1 413.908 3.602 20 5 HHBDMN O=C(CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000511830824 1003803162 /nfs/dbraw/zinc/80/31/62/1003803162.db2.gz SPCHPHVZNRGDOC-NUJGCVRESA-N 0 1 409.442 3.530 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)ccc1CCNCc1ncc(I)s1 ZINC000511961163 1003922391 /nfs/dbraw/zinc/92/23/91/1003922391.db2.gz PYVYSEFGECLWRK-UHFFFAOYSA-N 0 1 423.663 3.642 20 5 HHBDMN COCCN(Cc1ccc(F)cc1Cl)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000500850332 1004001168 /nfs/dbraw/zinc/00/11/68/1004001168.db2.gz RXLIYTXNZGWAIN-UHFFFAOYSA-N 0 1 406.801 3.552 20 5 HHBDMN O=C([C@H]1CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCSCC1 ZINC000512687185 1004494212 /nfs/dbraw/zinc/49/42/12/1004494212.db2.gz NPBSHHBTSYJWKB-GOSISDBHSA-N 0 1 417.556 3.863 20 5 HHBDMN O=C(CN(CCCO)[C@H]1CCc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000510646271 1004776551 /nfs/dbraw/zinc/77/65/51/1004776551.db2.gz JQFADILGRVHVLW-SFHVURJKSA-N 0 1 403.866 3.559 20 5 HHBDMN CC(C)N(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)N1CCCCCC1 ZINC000513241745 1004877197 /nfs/dbraw/zinc/87/71/97/1004877197.db2.gz LNSAOYUFWAMPBP-UHFFFAOYSA-N 0 1 414.506 3.905 20 5 HHBDMN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000513729986 1005099851 /nfs/dbraw/zinc/09/98/51/1005099851.db2.gz VBXALUHPGNGARR-UHFFFAOYSA-N 0 1 402.414 3.974 20 5 HHBDMN COc1cc(CSc2nc(-c3cccnc3)n[nH]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000502857198 1005245820 /nfs/dbraw/zinc/24/58/20/1005245820.db2.gz RYPPNYARBDHHEB-UHFFFAOYSA-N 0 1 423.401 3.720 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1Sc1nccn1C ZINC000531111585 1006000007 /nfs/dbraw/zinc/00/00/07/1006000007.db2.gz UPSOVNDTSYUFCG-UHFFFAOYSA-N 0 1 422.463 3.728 20 5 HHBDMN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)cc(Br)c1O ZINC000531133828 1006010631 /nfs/dbraw/zinc/01/06/31/1006010631.db2.gz XQCYBONFWBYYHL-UHFFFAOYSA-N 0 1 401.600 3.734 20 5 HHBDMN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531443707 1006200185 /nfs/dbraw/zinc/20/01/85/1006200185.db2.gz AZCQUKJUYYPLOG-KBPBESRZSA-N 0 1 414.462 3.548 20 5 HHBDMN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531443711 1006200415 /nfs/dbraw/zinc/20/04/15/1006200415.db2.gz AZCQUKJUYYPLOG-ZIAGYGMSSA-N 0 1 414.462 3.548 20 5 HHBDMN COc1ccc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000534225278 1006221813 /nfs/dbraw/zinc/22/18/13/1006221813.db2.gz CSTJIAUFRMLEBU-LIRRHRJNSA-N 0 1 421.856 3.819 20 5 HHBDMN NC(=O)c1ccc(CNCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)cn1 ZINC000531486277 1006224772 /nfs/dbraw/zinc/22/47/72/1006224772.db2.gz AFHZYGZLFAYUMU-UHFFFAOYSA-N 0 1 412.833 3.824 20 5 HHBDMN COc1cc(CN[C@H]2c3ccccc3C[C@@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000531489093 1006227875 /nfs/dbraw/zinc/22/78/75/1006227875.db2.gz GQMLTAMNTZQQQP-URXFXBBRSA-N 0 1 420.465 3.930 20 5 HHBDMN CNc1ccc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000534260504 1006270046 /nfs/dbraw/zinc/27/00/46/1006270046.db2.gz FDFSQCZUGSKYGG-LIRRHRJNSA-N 0 1 420.872 3.852 20 5 HHBDMN CNc1ccc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000534260502 1006270567 /nfs/dbraw/zinc/27/05/67/1006270567.db2.gz FDFSQCZUGSKYGG-IFXJQAMLSA-N 0 1 420.872 3.852 20 5 HHBDMN Cc1c(Br)cc(C(=O)NCc2ccc(CN(C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000534262140 1006271394 /nfs/dbraw/zinc/27/13/94/1006271394.db2.gz ANCIQFAQSCPYAV-UHFFFAOYSA-N 0 1 424.270 3.796 20 5 HHBDMN Cc1nc2ccccc2n1C[C@@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000534473918 1006460822 /nfs/dbraw/zinc/46/08/22/1006460822.db2.gz KABAMGMPAZLXSC-SFHVURJKSA-N 0 1 407.474 3.664 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3Cn3cnc4ccccc43)o2)cc1 ZINC000534579197 1006567201 /nfs/dbraw/zinc/56/72/01/1006567201.db2.gz GGEDQFOTJDHMGX-QGZVFWFLSA-N 0 1 404.430 3.659 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000532043480 1006597415 /nfs/dbraw/zinc/59/74/15/1006597415.db2.gz JVPVCEODDXQBFY-UHFFFAOYSA-N 0 1 415.855 3.518 20 5 HHBDMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534847194 1006867201 /nfs/dbraw/zinc/86/72/01/1006867201.db2.gz FNTWGVJMVQNWIL-NVXWUHKLSA-N 0 1 400.479 3.767 20 5 HHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000532474042 1006912924 /nfs/dbraw/zinc/91/29/24/1006912924.db2.gz IAXOHIRKSRQFCG-QFIPXVFZSA-N 0 1 408.502 3.611 20 5 HHBDMN CN1CC[C@@H](CNC(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534962864 1007012418 /nfs/dbraw/zinc/01/24/18/1007012418.db2.gz OBTLBJMGGPGPRP-HNAYVOBHSA-N 0 1 420.872 3.880 20 5 HHBDMN COc1ccc(-c2ccc(CN3CCC[C@@H]3[C@@H](O)C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000538733139 1007014351 /nfs/dbraw/zinc/01/43/51/1007014351.db2.gz UATYPKXUVIIAON-RHSMWYFYSA-N 0 1 400.353 3.751 20 5 HHBDMN Cn1cc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538759431 1007043926 /nfs/dbraw/zinc/04/39/26/1007043926.db2.gz ZAQFXPPHBIMMGN-MRXNPFEDSA-N 0 1 408.462 3.635 20 5 HHBDMN CN(C(=O)CNC1(c2cccc(Br)c2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000532690188 1007104227 /nfs/dbraw/zinc/10/42/27/1007104227.db2.gz HZMQNLRKNJPFGV-UHFFFAOYSA-N 0 1 418.291 3.989 20 5 HHBDMN CSCC[C@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000516679540 1007226114 /nfs/dbraw/zinc/22/61/14/1007226114.db2.gz TYHDAWRYBSXKLC-SFHVURJKSA-N 0 1 416.547 3.662 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(c4ccc(Cl)cn4)CC3)o2)c1 ZINC000532928066 1007300210 /nfs/dbraw/zinc/30/02/10/1007300210.db2.gz FVZURMJELHQIFT-UHFFFAOYSA-N 0 1 413.865 3.663 20 5 HHBDMN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000532959081 1007326734 /nfs/dbraw/zinc/32/67/34/1007326734.db2.gz CBDSFWFDXXSHSH-UHFFFAOYSA-N 0 1 411.437 3.627 20 5 HHBDMN COc1ccc(Cl)cc1C[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000532972193 1007340426 /nfs/dbraw/zinc/34/04/26/1007340426.db2.gz SDYDHZGUJWMKFY-CQSZACIVSA-N 0 1 417.893 3.810 20 5 HHBDMN O=C(Nc1ccc(Br)cn1)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000533032166 1007392339 /nfs/dbraw/zinc/39/23/39/1007392339.db2.gz CJPYLQRYQIBDPD-UHFFFAOYSA-N 0 1 419.279 3.603 20 5 HHBDMN COc1cc(N[C@@H]2CCCN(Cc3ccc(OC)c([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000533077873 1007439622 /nfs/dbraw/zinc/43/96/22/1007439622.db2.gz GRSMXNDXDOIRDT-MRXNPFEDSA-N 0 1 401.463 3.697 20 5 HHBDMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517191142 1007495178 /nfs/dbraw/zinc/49/51/78/1007495178.db2.gz SSVZKIZSGVLHBD-NQSCKRDGSA-N 0 1 405.502 3.843 20 5 HHBDMN C[C@H](c1ccccc1)N1CC[C@@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517191142 1007495185 /nfs/dbraw/zinc/49/51/85/1007495185.db2.gz SSVZKIZSGVLHBD-NQSCKRDGSA-N 0 1 405.502 3.843 20 5 HHBDMN CN1CC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000535461713 1007525002 /nfs/dbraw/zinc/52/50/02/1007525002.db2.gz AOAFYFATMSADMD-SJORKVTESA-N 0 1 404.264 3.533 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OC ZINC000539268957 1007563870 /nfs/dbraw/zinc/56/38/70/1007563870.db2.gz OBKBUYRKYPLPEB-KBPBESRZSA-N 0 1 417.462 3.689 20 5 HHBDMN COc1cc(CN2CCC[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000535801461 1007808299 /nfs/dbraw/zinc/80/82/99/1007808299.db2.gz OCARHGUGCPAZKL-OCCSQVGLSA-N 0 1 404.385 3.545 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H](CO)CC(F)(F)F)cc1 ZINC000539520326 1007830996 /nfs/dbraw/zinc/83/09/96/1007830996.db2.gz AKVHSKQIEUNTMR-MRXNPFEDSA-N 0 1 420.391 3.850 20 5 HHBDMN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000533636389 1007943576 /nfs/dbraw/zinc/94/35/76/1007943576.db2.gz MLIZLXQLSXNXNY-CABZTGNLSA-N 0 1 417.270 3.745 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]3Cn3cnc4ccccc43)n2)c1 ZINC000536068275 1008096520 /nfs/dbraw/zinc/09/65/20/1008096520.db2.gz YYWDSFNWOLVIKL-QGZVFWFLSA-N 0 1 404.430 3.659 20 5 HHBDMN COc1cc(CN2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000539821105 1008114848 /nfs/dbraw/zinc/11/48/48/1008114848.db2.gz IOZFOUVYTNGIPA-SFHVURJKSA-N 0 1 418.412 3.937 20 5 HHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000539935201 1008192960 /nfs/dbraw/zinc/19/29/60/1008192960.db2.gz FXNFUHQNBQONMU-IBGZPJMESA-N 0 1 413.474 3.569 20 5 HHBDMN COC(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1C ZINC000539957007 1008205328 /nfs/dbraw/zinc/20/53/28/1008205328.db2.gz FNOUMGZZSUXTFR-UHFFFAOYSA-N 0 1 418.349 3.509 20 5 HHBDMN Cc1ccc([C@H](C)N[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] ZINC000540219322 1008340725 /nfs/dbraw/zinc/34/07/25/1008340725.db2.gz CPPACFZCWDBXHO-CVEARBPZSA-N 0 1 403.504 3.855 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000540432763 1008431234 /nfs/dbraw/zinc/43/12/34/1008431234.db2.gz VAMAUSOHONQPJE-OAHLLOKOSA-N 0 1 406.442 3.955 20 5 HHBDMN CCOC(=O)c1sc(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000540475692 1008446436 /nfs/dbraw/zinc/44/64/36/1008446436.db2.gz BFPKBVBEFGVGMQ-CYBMUJFWSA-N 0 1 405.476 3.739 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000540484196 1008450084 /nfs/dbraw/zinc/45/00/84/1008450084.db2.gz ZXXVJIGRNVEENX-ZDUSSCGKSA-N 0 1 400.815 3.580 20 5 HHBDMN Cc1cc(NCc2ccc(N3CCN(C)CC3)nc2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549107481 1008672177 /nfs/dbraw/zinc/67/21/77/1008672177.db2.gz NSIYUSAUIHUFPI-UHFFFAOYSA-N 0 1 409.412 3.681 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)cc1[N+](=O)[O-] ZINC000543160634 1008733156 /nfs/dbraw/zinc/73/31/56/1008733156.db2.gz NPNLWUGJHJYLCH-UHFFFAOYSA-N 0 1 414.443 3.940 20 5 HHBDMN O=[N+]([O-])c1cc(CNC[C@@H]2CCCCS2(=O)=O)ccc1Oc1ccc(F)cc1 ZINC000543241093 1008810625 /nfs/dbraw/zinc/81/06/25/1008810625.db2.gz DPOFFGJPDVFWBF-KRWDZBQOSA-N 0 1 408.451 3.583 20 5 HHBDMN CN(C)Cc1cc(-c2noc(-c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)n2)ccc1F ZINC000545749021 1008837954 /nfs/dbraw/zinc/83/79/54/1008837954.db2.gz WMLQUOJYQZMMBX-UHFFFAOYSA-N 0 1 409.377 3.766 20 5 HHBDMN CCc1ccc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000543402819 1008995168 /nfs/dbraw/zinc/99/51/68/1008995168.db2.gz OFWQNUDYTHZLNB-INIZCTEOSA-N 0 1 419.363 3.814 20 5 HHBDMN O=[N+]([O-])c1cccc(CCNCc2ncc(Br)cc2Br)c1 ZINC000543445948 1009032518 /nfs/dbraw/zinc/03/25/18/1009032518.db2.gz NGWUIDRQLAWNDB-UHFFFAOYSA-N 0 1 415.085 3.847 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 ZINC000549455185 1009046218 /nfs/dbraw/zinc/04/62/18/1009046218.db2.gz ZKGQNWQJIRWUTF-NSHDSACASA-N 0 1 412.368 3.755 20 5 HHBDMN CNc1ccc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000546012389 1009047614 /nfs/dbraw/zinc/04/76/14/1009047614.db2.gz CAHWECPYCWPLCH-KRWDZBQOSA-N 0 1 410.396 3.688 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000520038007 1009197370 /nfs/dbraw/zinc/19/73/70/1009197370.db2.gz VJBZQSOJUWXQDJ-KRWDZBQOSA-N 0 1 420.487 3.824 20 5 HHBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543797068 1009364188 /nfs/dbraw/zinc/36/41/88/1009364188.db2.gz KWIXMKCIQMJBHV-AWEZNQCLSA-N 0 1 411.430 3.825 20 5 HHBDMN C[C@H]1C[C@@H]1c1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000546475125 1009495582 /nfs/dbraw/zinc/49/55/82/1009495582.db2.gz RCYOOTCFRWWFFG-ZBEGNZNMSA-N 0 1 400.416 3.569 20 5 HHBDMN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000520617266 1009694645 /nfs/dbraw/zinc/69/46/45/1009694645.db2.gz WEEGNBNANWAPRB-CQSZACIVSA-N 0 1 417.487 3.576 20 5 HHBDMN COC(=O)C[C@](C)(NCc1cc(O)ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000550099976 1009701813 /nfs/dbraw/zinc/70/18/13/1009701813.db2.gz TUKZIQWNEKCFTK-SFHVURJKSA-N 0 1 423.263 3.631 20 5 HHBDMN COc1cc([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000544117860 1009726730 /nfs/dbraw/zinc/72/67/30/1009726730.db2.gz TWUSLPXFZLYKBV-HNNXBMFYSA-N 0 1 422.503 3.515 20 5 HHBDMN COc1cccc(OC)c1OC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000520787399 1009856340 /nfs/dbraw/zinc/85/63/40/1009856340.db2.gz GHIKMJQVTFQAPG-UHFFFAOYSA-N 0 1 402.447 3.534 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000544528005 1010156735 /nfs/dbraw/zinc/15/67/35/1010156735.db2.gz CGUQLPCJYPCXBS-XLIONFOSSA-N 0 1 401.438 3.833 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000544528006 1010156946 /nfs/dbraw/zinc/15/69/46/1010156946.db2.gz CGUQLPCJYPCXBS-YLJYHZDGSA-N 0 1 401.438 3.833 20 5 HHBDMN CC(C)Oc1ccc(CC[C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000521158100 1010188092 /nfs/dbraw/zinc/18/80/92/1010188092.db2.gz RPMGLSFCQNSPRC-AWEZNQCLSA-N 0 1 410.467 3.821 20 5 HHBDMN CCN1CCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4Cl)n3)cn2)CC1 ZINC000544724126 1010331116 /nfs/dbraw/zinc/33/11/16/1010331116.db2.gz VNXNIAVZDJJTJX-UHFFFAOYSA-N 0 1 414.853 3.502 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(=O)N1CCCC1 ZINC000521415116 1010362738 /nfs/dbraw/zinc/36/27/38/1010362738.db2.gz FIKNUMSAQXONGG-UHFFFAOYSA-N 0 1 418.475 3.586 20 5 HHBDMN CCSCc1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000544977597 1010532602 /nfs/dbraw/zinc/53/26/02/1010532602.db2.gz NBKRJBKKXXSMHZ-UHFFFAOYSA-N 0 1 420.472 3.699 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000521678194 1010543954 /nfs/dbraw/zinc/54/39/54/1010543954.db2.gz UPYVKRKBJMJVEY-OAHLLOKOSA-N 0 1 415.471 3.999 20 5 HHBDMN CC(C)(C)C1=CCN(CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000548455128 1010633167 /nfs/dbraw/zinc/63/31/67/1010633167.db2.gz KPFPTIJWKGIPHI-UHFFFAOYSA-N 0 1 414.550 3.606 20 5 HHBDMN CCCc1[nH]nc(C(=O)Nc2nnc([C@@H](CC)c3ccccc3)s2)c1[N+](=O)[O-] ZINC000521904909 1010699778 /nfs/dbraw/zinc/69/97/78/1010699778.db2.gz KSEDTLHZIDCJLR-LBPRGKRZSA-N 0 1 400.464 3.916 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000522363112 1010958217 /nfs/dbraw/zinc/95/82/17/1010958217.db2.gz SVBPWHPXGNUEDM-UHFFFAOYSA-N 0 1 417.487 3.720 20 5 HHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000540823213 1011485721 /nfs/dbraw/zinc/48/57/21/1011485721.db2.gz AHYQFDWGVPQELA-UHFFFAOYSA-N 0 1 400.464 3.863 20 5 HHBDMN Cc1c(Br)cc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000536349794 1011556038 /nfs/dbraw/zinc/55/60/38/1011556038.db2.gz QYDYCAJETQCGOD-SJLPKXTDSA-N 0 1 418.291 3.841 20 5 HHBDMN CC(=O)Nc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)ccc1F ZINC000541073083 1011712239 /nfs/dbraw/zinc/71/22/39/1011712239.db2.gz NNUOSZMBCFISMJ-UHFFFAOYSA-N 0 1 421.328 3.512 20 5 HHBDMN COc1ccc(CN(Cc2c([N+](=O)[O-])ncn2C)[C@H]2CCCC[C@H]2C)cc1OC ZINC000536743472 1011926013 /nfs/dbraw/zinc/92/60/13/1011926013.db2.gz DNTFSAOVXGWWOQ-WBVHZDCISA-N 0 1 402.495 3.926 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000523528002 1012055909 /nfs/dbraw/zinc/05/59/09/1012055909.db2.gz CUPQGPVLGDVXNB-HNNXBMFYSA-N 0 1 410.268 3.763 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000536867726 1012107303 /nfs/dbraw/zinc/10/73/03/1012107303.db2.gz FNRJNTWIFOEXSL-OBZTUIKSSA-N 0 1 409.486 3.801 20 5 HHBDMN C[C@@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000536875995 1012119005 /nfs/dbraw/zinc/11/90/05/1012119005.db2.gz JNEPVYJCBHTJIT-MRXNPFEDSA-N 0 1 403.504 3.620 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)c1C ZINC000523586129 1012138649 /nfs/dbraw/zinc/13/86/49/1012138649.db2.gz UVGVGPHHZHXAAF-UHFFFAOYSA-N 0 1 413.459 3.675 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN(CC(=O)Nc4cc([N+](=O)[O-])ccc4C)C3)[nH]c2c1 ZINC000537016970 1012318210 /nfs/dbraw/zinc/31/82/10/1012318210.db2.gz BVPYASDFFUAWGJ-MRXNPFEDSA-N 0 1 407.474 3.906 20 5 HHBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000552407377 1012421991 /nfs/dbraw/zinc/42/19/91/1012421991.db2.gz OUEFAKRLQUCDJQ-AWEZNQCLSA-N 0 1 409.870 3.589 20 5 HHBDMN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OCC2CC2)c(F)c1 ZINC000537123656 1012506554 /nfs/dbraw/zinc/50/65/54/1012506554.db2.gz BESMWSVNTNMBGO-JLTOFOAXSA-N 0 1 413.449 3.979 20 5 HHBDMN O=C(CNC1(c2ccc(F)cc2F)CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000537125964 1012509851 /nfs/dbraw/zinc/50/98/51/1012509851.db2.gz PUSKJXZLFROOGP-UHFFFAOYSA-N 0 1 401.413 3.821 20 5 HHBDMN COc1cc(C)c([C@H](C)NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000537175572 1012582436 /nfs/dbraw/zinc/58/24/36/1012582436.db2.gz QDSJXOABRPQBDZ-HOTGVXAUSA-N 0 1 415.490 3.757 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000541771387 1012637254 /nfs/dbraw/zinc/63/72/54/1012637254.db2.gz MUTYRSUSDBCWCH-OAHLLOKOSA-N 0 1 423.469 3.718 20 5 HHBDMN CN(C)Cc1cc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])ccc1F ZINC000537226372 1012656860 /nfs/dbraw/zinc/65/68/60/1012656860.db2.gz XUNCZARJOAUVAT-UHFFFAOYSA-N 0 1 408.433 3.788 20 5 HHBDMN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000541833649 1012720617 /nfs/dbraw/zinc/72/06/17/1012720617.db2.gz IFVFTCPESXOQIA-ZDUSSCGKSA-N 0 1 419.432 3.508 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000537394908 1012876988 /nfs/dbraw/zinc/87/69/88/1012876988.db2.gz RMPPPUSEEKXSFN-UHFFFAOYSA-N 0 1 410.411 3.907 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC(c2nc3ccccc3s2)C1 ZINC000553001229 1012975991 /nfs/dbraw/zinc/97/59/91/1012975991.db2.gz QNKOMEHOQKKQAD-UHFFFAOYSA-N 0 1 412.471 3.641 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000542066850 1012987022 /nfs/dbraw/zinc/98/70/22/1012987022.db2.gz HYPHBUTYJMIPRY-AWEZNQCLSA-N 0 1 412.368 3.503 20 5 HHBDMN CCCN(CCN1CCCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC001212067269 1071946498 /nfs/dbraw/zinc/94/64/98/1071946498.db2.gz OIJNQODJVXPOLN-UHFFFAOYSA-N 0 1 417.959 3.833 20 5 HHBDMN CCO[C@@H]1C[C@H](NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)[C@H]1n1cccn1 ZINC000567474282 1072916535 /nfs/dbraw/zinc/91/65/35/1072916535.db2.gz SHMJZDMSYCYQFC-IOMROCGXSA-N 0 1 412.446 3.568 20 5 HHBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1 ZINC000554897506 1072946306 /nfs/dbraw/zinc/94/63/06/1072946306.db2.gz WSKJILBACREEPG-DOTOQJQBSA-N 0 1 411.458 3.704 20 5 HHBDMN CN1CCN(Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)c2)CC1 ZINC000555458502 1073506061 /nfs/dbraw/zinc/50/60/61/1073506061.db2.gz KCBJXGGVILEEIM-UHFFFAOYSA-N 0 1 422.407 3.613 20 5 HHBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@H]1Cc1ccccc1Br ZINC000555773455 1073815013 /nfs/dbraw/zinc/81/50/13/1073815013.db2.gz OZQVKEQXJIUOHM-INIZCTEOSA-N 0 1 420.307 3.616 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000573281804 1074315213 /nfs/dbraw/zinc/31/52/13/1074315213.db2.gz APVXQBFHSPORQQ-ZDUSSCGKSA-N 0 1 421.295 3.880 20 5 HHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)[C@@H]2C ZINC001164862304 721011131 /nfs/dbraw/zinc/01/11/31/721011131.db2.gz PXBGPJDHOLRASM-MRXNPFEDSA-N 0 1 421.505 3.670 20 5 HHBDMN O=[N+]([O-])c1ccc2ncc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nc2c1 ZINC001164992863 722194558 /nfs/dbraw/zinc/19/45/58/722194558.db2.gz BKKWPRHCFXDWRU-JOCHJYFZSA-N 0 1 407.449 3.922 20 5 HHBDMN O=C1COc2cc([N+](=O)[O-])c(NC[C@H](c3cccc(Cl)c3)N3CCCC3)cc2N1 ZINC000301686609 971028141 /nfs/dbraw/zinc/02/81/41/971028141.db2.gz LXJKJLMLOZVDOJ-GOSISDBHSA-N 0 1 416.865 3.828 20 5 HHBDMN COc1cc(NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c(F)cc1[N+](=O)[O-] ZINC000301868278 971092341 /nfs/dbraw/zinc/09/23/41/971092341.db2.gz HYAISDDQDLNFLQ-HUUCEWRRSA-N 0 1 403.454 3.964 20 5 HHBDMN C[C@H]1CCCCN1Cc1ccccc1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301900110 971105695 /nfs/dbraw/zinc/10/56/95/971105695.db2.gz UKDBKMYWGSQYSW-INIZCTEOSA-N 0 1 417.531 3.985 20 5 HHBDMN CCN1CCN(c2ccc(CNc3cc(C)nc4c3cccc4[N+](=O)[O-])cn2)CC1 ZINC000302026053 971154537 /nfs/dbraw/zinc/15/45/37/971154537.db2.gz QFHLRYZCODQEHP-UHFFFAOYSA-N 0 1 406.490 3.600 20 5 HHBDMN Cc1cc(NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302184231 971200650 /nfs/dbraw/zinc/20/06/50/971200650.db2.gz OWNFCRNMMNJGJU-LJQANCHMSA-N 0 1 420.469 3.972 20 5 HHBDMN Cc1cc(N2CCCN(C(=O)c3cccc(F)c3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302202167 971206115 /nfs/dbraw/zinc/20/61/15/971206115.db2.gz VTIHGKITIPJRMP-UHFFFAOYSA-N 0 1 408.433 3.943 20 5 HHBDMN Cc1cc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302211954 971208647 /nfs/dbraw/zinc/20/86/47/971208647.db2.gz YWCGHGKERWXWLX-UHFFFAOYSA-N 0 1 419.485 3.966 20 5 HHBDMN COC(=O)c1cnc(Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c([N+](=O)[O-])c1 ZINC000302770475 971312292 /nfs/dbraw/zinc/31/22/92/971312292.db2.gz MWHQKGZGMUVSJI-UHFFFAOYSA-N 0 1 407.308 3.725 20 5 HHBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000302953289 971415812 /nfs/dbraw/zinc/41/58/12/971415812.db2.gz DLAHKDKXKZQNHW-UHFFFAOYSA-N 0 1 410.821 3.935 20 5 HHBDMN COc1ccc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1[N+](=O)[O-] ZINC000303273000 971591164 /nfs/dbraw/zinc/59/11/64/971591164.db2.gz GMUCBERDDKCHNI-UHFFFAOYSA-N 0 1 417.893 3.899 20 5 HHBDMN CC[C@@H](C)CN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000303563885 971858129 /nfs/dbraw/zinc/85/81/29/971858129.db2.gz XSJRNITXOFINBX-CQSZACIVSA-N 0 1 405.476 3.514 20 5 HHBDMN C[C@@H](N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000524339654 1013165871 /nfs/dbraw/zinc/16/58/71/1013165871.db2.gz CNGKJJRSLTVDKQ-PXAZEXFGSA-N 0 1 409.364 3.950 20 5 HHBDMN CN(CCn1cccn1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000537627258 1013178081 /nfs/dbraw/zinc/17/80/81/1013178081.db2.gz RQNKAJUFRNQMBI-UHFFFAOYSA-N 0 1 405.252 3.946 20 5 HHBDMN COc1ccc2nc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)[nH]c2c1 ZINC000004252194 960568866 /nfs/dbraw/zinc/56/88/66/960568866.db2.gz CMVFCEXQYHBPLB-JTQLQIEISA-N 0 1 402.432 3.608 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000005865868 960792743 /nfs/dbraw/zinc/79/27/43/960792743.db2.gz GXSVZPQOVIQOIH-LBPRGKRZSA-N 0 1 413.459 3.816 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000005865876 960792802 /nfs/dbraw/zinc/79/28/02/960792802.db2.gz GXSVZPQOVIQOIH-GFCCVEGCSA-N 0 1 413.459 3.816 20 5 HHBDMN COc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])[nH]c2c1 ZINC000007096232 961013807 /nfs/dbraw/zinc/01/38/07/961013807.db2.gz UZJFNJGTCDWXCI-JTQLQIEISA-N 0 1 402.432 3.608 20 5 HHBDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000007257750 961093819 /nfs/dbraw/zinc/09/38/19/961093819.db2.gz XIPQNEOLAKHYQS-UHFFFAOYSA-N 0 1 416.909 3.709 20 5 HHBDMN COc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(C)cc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000007455853 961197991 /nfs/dbraw/zinc/19/79/91/961197991.db2.gz KIRHCAHHXBVUIY-GFCCVEGCSA-N 0 1 413.459 3.816 20 5 HHBDMN CCOC(=O)c1cc(C)sc1NC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000553409786 1013335205 /nfs/dbraw/zinc/33/52/05/1013335205.db2.gz JHNFKTCFGINUJY-CYBMUJFWSA-N 0 1 405.476 3.739 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)c1 ZINC000014628573 962541424 /nfs/dbraw/zinc/54/14/24/962541424.db2.gz OFVNBJSCNQJLPE-LJQANCHMSA-N 0 1 403.866 3.824 20 5 HHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCc1nc2ccc(F)cc2[nH]1 ZINC000542404785 1013358418 /nfs/dbraw/zinc/35/84/18/1013358418.db2.gz KZGPFJCRPWGXOQ-UHFFFAOYSA-N 0 1 408.842 3.715 20 5 HHBDMN O=C(N[C@H](c1c[nH]c2ccccc21)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000553449654 1013362818 /nfs/dbraw/zinc/36/28/18/1013362818.db2.gz VWOIIJCKQGJOIX-MRXNPFEDSA-N 0 1 403.320 3.986 20 5 HHBDMN COc1ccc([C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000017911399 963239512 /nfs/dbraw/zinc/23/95/12/963239512.db2.gz UTSBCPTZRBUXLR-QFIPXVFZSA-N 0 1 424.501 3.745 20 5 HHBDMN N=C1Nc2nc3ccccc3n2[C@H](c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000018053567 963257398 /nfs/dbraw/zinc/25/73/98/963257398.db2.gz UJVREJQNQBGNAL-LJQANCHMSA-N 0 1 418.388 3.972 20 5 HHBDMN Cc1cc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000542474676 1013422295 /nfs/dbraw/zinc/42/22/95/1013422295.db2.gz NFHRBJPBGNKDRR-HNNXBMFYSA-N 0 1 405.336 3.560 20 5 HHBDMN Cc1ccc(Cl)cc1N1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000026220695 964489953 /nfs/dbraw/zinc/48/99/53/964489953.db2.gz HZEQNAHEJBXLFH-UHFFFAOYSA-N 0 1 402.882 3.707 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](c1ccccc1)c1ccccn1 ZINC000026230645 964496106 /nfs/dbraw/zinc/49/61/06/964496106.db2.gz AZNLCSIITBBYLU-QFIPXVFZSA-N 0 1 406.442 3.706 20 5 HHBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000026877616 964705223 /nfs/dbraw/zinc/70/52/23/964705223.db2.gz MLQQSOSCPJWOJO-IUCAKERBSA-N 0 1 420.331 3.783 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000027578763 964923875 /nfs/dbraw/zinc/92/38/75/964923875.db2.gz RSGYBCVBVMQHOL-SFHVURJKSA-N 0 1 405.882 3.826 20 5 HHBDMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000028335449 965079265 /nfs/dbraw/zinc/07/92/65/965079265.db2.gz KYVPWUCXSBWLKV-NEPJUHHUSA-N 0 1 404.854 3.884 20 5 HHBDMN COc1ccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)N2CCCC2)cc1 ZINC000053250220 965104012 /nfs/dbraw/zinc/10/40/12/965104012.db2.gz VKVYVWNSPFCPFU-IBGZPJMESA-N 0 1 414.462 3.571 20 5 HHBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000537990273 1013565233 /nfs/dbraw/zinc/56/52/33/1013565233.db2.gz HRIOLZGNDFKTPD-MRXNPFEDSA-N 0 1 403.504 3.620 20 5 HHBDMN O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000057274231 965380621 /nfs/dbraw/zinc/38/06/21/965380621.db2.gz LQTXJMDVIMPJBV-UHFFFAOYSA-N 0 1 417.469 3.564 20 5 HHBDMN CC(C)(NC(=O)c1n[nH]c2ccc(Br)cc21)c1ccccc1[N+](=O)[O-] ZINC000553724914 1013573717 /nfs/dbraw/zinc/57/37/17/1013573717.db2.gz GNRPNMBATRSRSA-UHFFFAOYSA-N 0 1 403.236 3.899 20 5 HHBDMN CC(C)NC(=O)c1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000054370328 965491480 /nfs/dbraw/zinc/49/14/80/965491480.db2.gz DBYUNHATQGVNSX-UHFFFAOYSA-N 0 1 414.481 3.584 20 5 HHBDMN COc1ccc(-c2n[nH]c(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2)cc1 ZINC000057748259 965537141 /nfs/dbraw/zinc/53/71/41/965537141.db2.gz GBYOZFPEGXVUDU-UHFFFAOYSA-N 0 1 410.415 3.731 20 5 HHBDMN Cc1occc1C(=O)Nc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000055592813 965948059 /nfs/dbraw/zinc/94/80/59/965948059.db2.gz XZQGBOYXFDQMPB-UHFFFAOYSA-N 0 1 419.390 3.688 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c1C ZINC000055642227 965985844 /nfs/dbraw/zinc/98/58/44/965985844.db2.gz DJOQCBGYAPKKQP-UHFFFAOYSA-N 0 1 417.487 3.685 20 5 HHBDMN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196038 966254903 /nfs/dbraw/zinc/25/49/03/966254903.db2.gz VXXOEKPKMCNIOE-KKUMJFAQSA-N 0 1 401.463 3.529 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1 ZINC000060919810 966326993 /nfs/dbraw/zinc/32/69/93/966326993.db2.gz OLLSNYKVDFGICV-QGZVFWFLSA-N 0 1 400.460 3.614 20 5 HHBDMN C[C@@H]1CCCN(c2ccc(C(=O)NC[C@@H](c3cccs3)N(C)C)cc2[N+](=O)[O-])C1 ZINC000035580012 966421342 /nfs/dbraw/zinc/42/13/42/966421342.db2.gz XMHLQZHBZQQXDZ-BEFAXECRSA-N 0 1 416.547 3.925 20 5 HHBDMN NC(=O)c1ccc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)c([N+](=O)[O-])c1 ZINC000042742899 966839779 /nfs/dbraw/zinc/83/97/79/966839779.db2.gz YFAQYIVLVGEKKB-UHFFFAOYSA-N 0 1 414.849 3.868 20 5 HHBDMN CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)Nc1ccccc1C ZINC000063482346 966872449 /nfs/dbraw/zinc/87/24/49/966872449.db2.gz LLEUPTZXVOJYLU-UHFFFAOYSA-N 0 1 412.490 3.891 20 5 HHBDMN Cc1c(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000043347155 966956390 /nfs/dbraw/zinc/95/63/90/966956390.db2.gz QZQQIHAHIIQFBY-IYBDPMFKSA-N 0 1 412.490 3.834 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000538134940 1013696737 /nfs/dbraw/zinc/69/67/37/1013696737.db2.gz NFNGJRBVRJTETI-HNNXBMFYSA-N 0 1 419.503 3.636 20 5 HHBDMN Cc1ccc(Sc2ccc(CNC[C@@H]3CCCS3(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000553919995 1013701262 /nfs/dbraw/zinc/70/12/62/1013701262.db2.gz WIIHEACDGGINJC-KRWDZBQOSA-N 0 1 406.529 3.721 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccc(F)c1 ZINC000065087033 967371051 /nfs/dbraw/zinc/37/10/51/967371051.db2.gz JDOPROVDGJEYKY-SFHVURJKSA-N 0 1 414.462 3.890 20 5 HHBDMN CC(C)(C)CCN1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000065113810 967382765 /nfs/dbraw/zinc/38/27/65/967382765.db2.gz HTOZLFWNCGTJGN-UHFFFAOYSA-N 0 1 402.520 3.912 20 5 HHBDMN CC(C)CCN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000045473396 967471528 /nfs/dbraw/zinc/47/15/28/967471528.db2.gz VWTIPFGMRNRVHR-UHFFFAOYSA-N 0 1 405.476 3.514 20 5 HHBDMN COc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1OC ZINC000553959112 1013724080 /nfs/dbraw/zinc/72/40/80/1013724080.db2.gz MRMHGJPEZFGCOW-LBPRGKRZSA-N 0 1 407.854 3.863 20 5 HHBDMN COc1cc([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C ZINC000538167146 1013727689 /nfs/dbraw/zinc/72/76/89/1013727689.db2.gz LEGKRKLHEDEGMU-INIZCTEOSA-N 0 1 415.490 3.952 20 5 HHBDMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000538209586 1013763349 /nfs/dbraw/zinc/76/33/49/1013763349.db2.gz LMNNXHWMKBUGIP-ZDUSSCGKSA-N 0 1 416.865 3.664 20 5 HHBDMN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000047261998 968109112 /nfs/dbraw/zinc/10/91/12/968109112.db2.gz JZOMXWFYGRUOKL-AWEZNQCLSA-N 0 1 419.279 3.603 20 5 HHBDMN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000047261955 968109260 /nfs/dbraw/zinc/10/92/60/968109260.db2.gz OKKIMZZMAMNAEJ-CQSZACIVSA-N 0 1 419.279 3.603 20 5 HHBDMN C[C@H](OC[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(Cl)cc1 ZINC000047745354 968295454 /nfs/dbraw/zinc/29/54/54/968295454.db2.gz WUACVKXGHPHWRR-HRAATJIYSA-N 0 1 419.909 3.509 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCCC1 ZINC000065835659 968672244 /nfs/dbraw/zinc/67/22/44/968672244.db2.gz PCGSFXYWBIXBIU-OAQYLSRUSA-N 0 1 422.485 3.511 20 5 HHBDMN COc1cc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c([N+](=O)[O-])cc1OC ZINC000065857145 968684084 /nfs/dbraw/zinc/68/40/84/968684084.db2.gz NKTYJOKDXBQHSZ-MRXNPFEDSA-N 0 1 412.402 3.592 20 5 HHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000069404877 968830699 /nfs/dbraw/zinc/83/06/99/968830699.db2.gz GQJRWIYMHXEKGT-UHFFFAOYSA-N 0 1 402.882 3.571 20 5 HHBDMN CCN(CC)[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1ccco1 ZINC000078878153 969020999 /nfs/dbraw/zinc/02/09/99/969020999.db2.gz LBKHZZIUZXFYIQ-SFHVURJKSA-N 0 1 411.462 3.647 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000110394164 969662228 /nfs/dbraw/zinc/66/22/28/969662228.db2.gz UVDGHAJSJVCOEY-UHFFFAOYSA-N 0 1 402.432 3.877 20 5 HHBDMN C[C@@H](Cc1cccc(Br)c1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000195680736 969951442 /nfs/dbraw/zinc/95/14/42/969951442.db2.gz BXSAVZMVGGGUPZ-JTQLQIEISA-N 0 1 403.236 3.595 20 5 HHBDMN O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000139580940 970036961 /nfs/dbraw/zinc/03/69/61/970036961.db2.gz IFVIXXMOGRMHRI-UHFFFAOYSA-N 0 1 407.361 3.728 20 5 HHBDMN COc1ccc(Br)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000216144883 970064030 /nfs/dbraw/zinc/06/40/30/970064030.db2.gz DUNLFSUGLCTTDD-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN CC(=O)Nc1cccc(OCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000236629332 970148896 /nfs/dbraw/zinc/14/88/96/970148896.db2.gz DCFOLGNFJKWTOX-UHFFFAOYSA-N 0 1 412.471 3.845 20 5 HHBDMN COc1ccc(-c2ccc(CNCc3ccccc3N3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000237418221 970281862 /nfs/dbraw/zinc/28/18/62/970281862.db2.gz MMUBAVYWWPBYDO-UHFFFAOYSA-N 0 1 423.469 3.990 20 5 HHBDMN COc1ccc(-c2ccc(CNC[C@@H](O)COc3cccc(C)c3)o2)c([N+](=O)[O-])c1 ZINC000237428729 970283932 /nfs/dbraw/zinc/28/39/32/970283932.db2.gz LROYHHQMRIDKEK-MRXNPFEDSA-N 0 1 412.442 3.701 20 5 HHBDMN COc1ccc(-c2ccc(CNCCNC(=O)CC3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000237426848 970284013 /nfs/dbraw/zinc/28/40/13/970284013.db2.gz AJXSFFCYNOCVJR-UHFFFAOYSA-N 0 1 401.463 3.650 20 5 HHBDMN O=[N+]([O-])c1ccc(CNCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)cc1 ZINC000237858954 970383243 /nfs/dbraw/zinc/38/32/43/970383243.db2.gz YFJAJCAVBCOEKA-UHFFFAOYSA-N 0 1 421.476 3.745 20 5 HHBDMN C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)N1CCc2sccc2C1 ZINC000301121083 970758407 /nfs/dbraw/zinc/75/84/07/970758407.db2.gz RQCIZMURDWFZKL-OAHLLOKOSA-N 0 1 414.531 3.751 20 5 HHBDMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000305500220 972613489 /nfs/dbraw/zinc/61/34/89/972613489.db2.gz XROZKRDXMVIYSP-OAHLLOKOSA-N 0 1 418.291 3.752 20 5 HHBDMN COc1ccc(NS(=O)(=O)c2cc(Br)sc2C)cc1[N+](=O)[O-] ZINC000316942043 972653534 /nfs/dbraw/zinc/65/35/34/972653534.db2.gz VWUPNRIEOLRBQZ-UHFFFAOYSA-N 0 1 407.267 3.537 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000327830591 972762310 /nfs/dbraw/zinc/76/23/10/972762310.db2.gz MQIBQRFXPCQFLS-LBPRGKRZSA-N 0 1 402.856 3.903 20 5 HHBDMN COc1cccc([C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)N(C)C)c1 ZINC000426258617 974351939 /nfs/dbraw/zinc/35/19/39/974351939.db2.gz VHOMEQNVZORCLL-NRFANRHFSA-N 0 1 412.490 3.580 20 5 HHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000427477117 975138791 /nfs/dbraw/zinc/13/87/91/975138791.db2.gz VMKHARCBXTYSOS-GFCCVEGCSA-N 0 1 411.487 3.826 20 5 HHBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nc2cc(Cl)ccc2n1C ZINC000427864257 975326973 /nfs/dbraw/zinc/32/69/73/975326973.db2.gz DSHBDULVDBOTCT-LBPRGKRZSA-N 0 1 401.854 3.642 20 5 HHBDMN O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428017286 975388598 /nfs/dbraw/zinc/38/85/98/975388598.db2.gz ZSPUUHNTFMGJBQ-UHFFFAOYSA-N 0 1 402.410 3.628 20 5 HHBDMN COc1ccc(CN2CCC(O)(C(F)F)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000428455823 975761043 /nfs/dbraw/zinc/76/10/43/975761043.db2.gz GLQYIRPSKPGYSB-UHFFFAOYSA-N 0 1 422.428 3.774 20 5 HHBDMN Cc1c(NC(=O)CCN2CCN(c3cccc(F)c3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000429257455 976545566 /nfs/dbraw/zinc/54/55/66/976545566.db2.gz RPUIXGDGBSYFSM-HNNXBMFYSA-N 0 1 400.454 3.582 20 5 HHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430292347 977452589 /nfs/dbraw/zinc/45/25/89/977452589.db2.gz ISSVMULUSVJYIQ-NVXWUHKLSA-N 0 1 421.457 3.691 20 5 HHBDMN C[C@@H]1CC[C@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000430443735 977554780 /nfs/dbraw/zinc/55/47/80/977554780.db2.gz DQEYGAJSJLILKG-PBHICJAKSA-N 0 1 417.487 3.656 20 5 HHBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431173520 978073361 /nfs/dbraw/zinc/07/33/61/978073361.db2.gz SDEMAVFLINTTRI-HNNXBMFYSA-N 0 1 424.320 3.986 20 5 HHBDMN O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432494828 978847669 /nfs/dbraw/zinc/84/76/69/978847669.db2.gz PANWOEBCVALBSQ-UHFFFAOYSA-N 0 1 403.822 3.832 20 5 HHBDMN O=C(N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000435983204 981131759 /nfs/dbraw/zinc/13/17/59/981131759.db2.gz LGXCUMKVXMNKNS-UMSPYCQHSA-N 0 1 409.211 3.878 20 5 HHBDMN Cc1c(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)cccc1[N+](=O)[O-] ZINC000435992201 981138719 /nfs/dbraw/zinc/13/87/19/981138719.db2.gz GQYCKZSTEUBROH-UHFFFAOYSA-N 0 1 420.513 3.941 20 5 HHBDMN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Br)s1 ZINC000435998619 981142922 /nfs/dbraw/zinc/14/29/22/981142922.db2.gz WAQMIFSUXMRMCB-GXFFZTMASA-N 0 1 410.293 3.875 20 5 HHBDMN C[C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCN1Cc1ccccc1 ZINC000437484597 982112326 /nfs/dbraw/zinc/11/23/26/982112326.db2.gz VYFGVNAAZVRCNS-SFHVURJKSA-N 0 1 419.485 3.517 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CCOc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC000438626361 982947135 /nfs/dbraw/zinc/94/71/35/982947135.db2.gz JWXGYGMEMACKQY-GFCCVEGCSA-N 0 1 423.267 3.800 20 5 HHBDMN COc1cc(NC2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000440549758 983793120 /nfs/dbraw/zinc/79/31/20/983793120.db2.gz IOOAFZJEGZNIPC-UHFFFAOYSA-N 0 1 401.463 3.567 20 5 HHBDMN Cc1nn(CCC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000440741156 983880365 /nfs/dbraw/zinc/88/03/65/983880365.db2.gz POUJZIAEOKTCEX-MRXNPFEDSA-N 0 1 416.869 3.692 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441277288 984154708 /nfs/dbraw/zinc/15/47/08/984154708.db2.gz ORCJWMUBWCNIDP-JKSUJKDBSA-N 0 1 419.909 3.809 20 5 HHBDMN O=C(NCCCCN1CCOCC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442296736 984796640 /nfs/dbraw/zinc/79/66/40/984796640.db2.gz UTNOJNZUWSEWPS-UHFFFAOYSA-N 0 1 415.515 3.588 20 5 HHBDMN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442314438 984811651 /nfs/dbraw/zinc/81/16/51/984811651.db2.gz HLZNWBSBVAWVJJ-OAHLLOKOSA-N 0 1 417.487 3.719 20 5 HHBDMN O=C(Nc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000442339955 984845903 /nfs/dbraw/zinc/84/59/03/984845903.db2.gz HPLQEQAXRRLLGA-UHFFFAOYSA-N 0 1 403.441 3.709 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c1C ZINC000462325129 985315296 /nfs/dbraw/zinc/31/52/96/985315296.db2.gz FOTGWIVSKQUKCL-BEFAXECRSA-N 0 1 423.560 3.635 20 5 HHBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 ZINC000443348733 985513250 /nfs/dbraw/zinc/51/32/50/985513250.db2.gz VXBNSZXUIQWKTE-SNVBAGLBSA-N 0 1 419.322 3.543 20 5 HHBDMN CO[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000462575785 985522762 /nfs/dbraw/zinc/52/27/62/985522762.db2.gz PQEXCQVVQURRAC-AWEZNQCLSA-N 0 1 405.259 3.568 20 5 HHBDMN COc1cc(F)c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1F ZINC000467938304 985572622 /nfs/dbraw/zinc/57/26/22/985572622.db2.gz MAYLFCSZUYTXNB-UHFFFAOYSA-N 0 1 413.185 3.989 20 5 HHBDMN C[C@@H](CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000443431180 985589077 /nfs/dbraw/zinc/58/90/77/985589077.db2.gz BKZUMZFGMSFCGM-INIZCTEOSA-N 0 1 418.519 3.539 20 5 HHBDMN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])s2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000443514971 985685995 /nfs/dbraw/zinc/68/59/95/985685995.db2.gz AHADZBJLDFNBGY-IUODEOHRSA-N 0 1 400.426 4.565 20 5 HHBDMN CNc1c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cccc1[N+](=O)[O-] ZINC000462764258 985701033 /nfs/dbraw/zinc/70/10/33/985701033.db2.gz FEWDCAVIVJYHSD-OAHLLOKOSA-N 0 1 412.494 3.822 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3C[C@@H](O)C[C@H]3c3cc(F)ccc3F)o2)c1 ZINC000443590090 985766047 /nfs/dbraw/zinc/76/60/47/985766047.db2.gz HZNRNDUUVCLARY-LPHOPBHVSA-N 0 1 415.396 3.878 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443649443 985844947 /nfs/dbraw/zinc/84/49/47/985844947.db2.gz HOCXORWUEWULNO-HNNXBMFYSA-N 0 1 419.865 3.739 20 5 HHBDMN CC1CCN(c2ccc(C(=O)Nc3cccc(-c4cn[nH]n4)c3)cc2[N+](=O)[O-])CC1 ZINC000443685454 985898101 /nfs/dbraw/zinc/89/81/01/985898101.db2.gz VJOGSIAFOCGORJ-UHFFFAOYSA-N 0 1 406.446 3.869 20 5 HHBDMN CC1CCN([C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000443691547 985904974 /nfs/dbraw/zinc/90/49/74/985904974.db2.gz HPZSUJRIRRYWJH-GOSISDBHSA-N 0 1 423.560 3.549 20 5 HHBDMN CCN([C@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443711010 985922662 /nfs/dbraw/zinc/92/26/62/985922662.db2.gz QMUUJTATLJUYSC-UWJYYQICSA-N 0 1 417.531 3.582 20 5 HHBDMN Cc1n[nH]c(C(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2ccccn2)c1[N+](=O)[O-] ZINC000468259128 985960413 /nfs/dbraw/zinc/96/04/13/985960413.db2.gz IYYWENVBAKFMJN-UHFFFAOYSA-N 0 1 419.363 3.883 20 5 HHBDMN COc1ccc(CN2CC[C@@H](n3cccn3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000463034194 985993410 /nfs/dbraw/zinc/99/34/10/985993410.db2.gz MEVFUUVDIOXFNF-HXUWFJFHSA-N 0 1 408.458 3.826 20 5 HHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000468571586 986276603 /nfs/dbraw/zinc/27/66/03/986276603.db2.gz KSCRYDDYVLSAHY-HNNXBMFYSA-N 0 1 420.263 3.780 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)ccc1[N+](=O)[O-] ZINC000444202796 986382387 /nfs/dbraw/zinc/38/23/87/986382387.db2.gz XLHMIXVMWVEYEW-UHFFFAOYSA-N 0 1 415.393 3.582 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000444220175 986404435 /nfs/dbraw/zinc/40/44/35/986404435.db2.gz ZKEGAUMOPQCXQA-HTWSVDAQSA-N 0 1 405.495 3.602 20 5 HHBDMN CCCCc1nc2ccc(NC(=O)[C@H](CC)Nc3c([N+](=O)[O-])c(C)nn3C)cc2[nH]1 ZINC000468710693 986425634 /nfs/dbraw/zinc/42/56/34/986425634.db2.gz WBERNSXCMVTKKF-AWEZNQCLSA-N 0 1 413.482 3.685 20 5 HHBDMN COc1cccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1[N+](=O)[O-] ZINC000444354604 986536419 /nfs/dbraw/zinc/53/64/19/986536419.db2.gz YFBFDJFLVBPXLP-HNNXBMFYSA-N 0 1 413.478 3.789 20 5 HHBDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000444367588 986545265 /nfs/dbraw/zinc/54/52/65/986545265.db2.gz GRQDKCLHAOSBDS-UHFFFAOYSA-N 0 1 408.458 3.660 20 5 HHBDMN CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000468882900 986589675 /nfs/dbraw/zinc/58/96/75/986589675.db2.gz HINUYPSOAOJHKF-LJQANCHMSA-N 0 1 405.520 3.567 20 5 HHBDMN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC000444742216 986908480 /nfs/dbraw/zinc/90/84/80/986908480.db2.gz ISPLUXNZKIWXIG-LBPRGKRZSA-N 0 1 404.264 3.597 20 5 HHBDMN Cc1cc(C)n(-c2ccc([C@@H](C)NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cc2)n1 ZINC000469205065 986929224 /nfs/dbraw/zinc/92/92/24/986929224.db2.gz PBNQEDMOMDOAJQ-CQSZACIVSA-N 0 1 418.450 3.576 20 5 HHBDMN CCOc1cc(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)c([N+](=O)[O-])cc1OC ZINC000469253665 986972642 /nfs/dbraw/zinc/97/26/42/986972642.db2.gz PPNDVOZGCDDDAB-INIZCTEOSA-N 0 1 415.446 3.640 20 5 HHBDMN CN(C)[C@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccs1 ZINC000463958583 988070606 /nfs/dbraw/zinc/07/06/06/988070606.db2.gz PWFUSLWVBJFQFO-GOSISDBHSA-N 0 1 418.519 3.512 20 5 HHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000470184289 988101293 /nfs/dbraw/zinc/10/12/93/988101293.db2.gz RFRRBXJPUOPSKB-GHRIWEEISA-N 0 1 418.515 3.803 20 5 HHBDMN O=C(c1ccc(Nc2ccncc2)cc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000470523822 988523798 /nfs/dbraw/zinc/52/37/98/988523798.db2.gz ODNHFTZLCDANOH-UHFFFAOYSA-N 0 1 418.453 3.839 20 5 HHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000470879939 988950287 /nfs/dbraw/zinc/95/02/87/988950287.db2.gz LTBOHJBXKHPLGT-UHFFFAOYSA-N 0 1 419.522 3.537 20 5 HHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(Cc2cccc(OC)c2)s1 ZINC000470888734 988961558 /nfs/dbraw/zinc/96/15/58/988961558.db2.gz ODSFWOBEVLRCFN-UHFFFAOYSA-N 0 1 414.443 3.697 20 5 HHBDMN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(COc2ccccc2)[n-]1 ZINC000471607987 989812654 /nfs/dbraw/zinc/81/26/54/989812654.db2.gz ANELRDQYLSDWGR-APWZRJJASA-N 0 1 407.474 3.793 20 5 HHBDMN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000466557779 991870969 /nfs/dbraw/zinc/87/09/69/991870969.db2.gz YKDDXNPFBPNEQD-UHFFFAOYSA-N 0 1 420.872 3.851 20 5 HHBDMN Cc1sc(S(=O)(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000467021281 992328924 /nfs/dbraw/zinc/32/89/24/992328924.db2.gz FTUBBPDQMYMWOP-LBPRGKRZSA-N 0 1 416.349 3.825 20 5 HHBDMN Cc1sc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467081699 992387858 /nfs/dbraw/zinc/38/78/58/992387858.db2.gz NDMXVAJCLMNXBL-RHSMWYFYSA-N 0 1 423.560 3.638 20 5 HHBDMN CC1CCN([C@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000472585488 993548555 /nfs/dbraw/zinc/54/85/55/993548555.db2.gz KEKIRMHRDQIMLH-GOSISDBHSA-N 0 1 423.560 3.549 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1C ZINC000480987143 993828873 /nfs/dbraw/zinc/82/88/73/993828873.db2.gz GJOXDVRPXRTFFG-VQIMIIECSA-N 0 1 417.531 3.543 20 5 HHBDMN C[C@@H](NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000481312285 994129454 /nfs/dbraw/zinc/12/94/54/994129454.db2.gz WZJLXGKTTUNMAR-DLBZAZTESA-N 0 1 417.531 3.866 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000481326953 994146533 /nfs/dbraw/zinc/14/65/33/994146533.db2.gz DHQBSHRNVMNLQS-IBGZPJMESA-N 0 1 412.490 3.973 20 5 HHBDMN CCOc1ccc(NC(=O)CN[C@H](C)[C@@H](OC)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000481526168 994357901 /nfs/dbraw/zinc/35/79/01/994357901.db2.gz FJFLIYAYVYBCDC-ZUOKHONESA-N 0 1 421.881 3.951 20 5 HHBDMN COc1ccc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c(Br)c1 ZINC000481842694 994698029 /nfs/dbraw/zinc/69/80/29/994698029.db2.gz PBIIYGHJAJPVRD-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN O=C(NCc1ccc(OCc2ccccc2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000481847152 994702259 /nfs/dbraw/zinc/70/22/59/994702259.db2.gz MRRKEDGAMXRHQR-UHFFFAOYSA-N 0 1 402.410 3.980 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000481971949 994863434 /nfs/dbraw/zinc/86/34/34/994863434.db2.gz UTADNPSGXAUJCL-UHFFFAOYSA-N 0 1 405.476 3.541 20 5 HHBDMN O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482018319 994929212 /nfs/dbraw/zinc/92/92/12/994929212.db2.gz VCCIEIHQZUMCQR-LJQANCHMSA-N 0 1 415.409 3.581 20 5 HHBDMN COc1cccc([C@@H]2[C@H](NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CCN2C2CC2)c1 ZINC000482042756 994964766 /nfs/dbraw/zinc/96/47/66/994964766.db2.gz CUZYBKSPMJPQPB-XMSQKQJNSA-N 0 1 420.469 3.793 20 5 HHBDMN CO[C@]1(C)CCCN([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000483013844 995919584 /nfs/dbraw/zinc/91/95/84/995919584.db2.gz HNBGWCKHFPSRSV-VBKZILBWSA-N 0 1 418.519 3.936 20 5 HHBDMN O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475497874 996180914 /nfs/dbraw/zinc/18/09/14/996180914.db2.gz UHMRJWDAMOECDN-UHFFFAOYSA-N 0 1 411.393 3.677 20 5 HHBDMN CN(CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccc(F)cc1 ZINC000483468036 996199017 /nfs/dbraw/zinc/19/90/17/996199017.db2.gz ZSAVONFLPZURAT-UHFFFAOYSA-N 0 1 412.368 3.589 20 5 HHBDMN CS[C@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000476059102 996572841 /nfs/dbraw/zinc/57/28/41/996572841.db2.gz FINALXPXBZQDMG-SFTDATJTSA-N 0 1 411.527 3.842 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000476432222 996902606 /nfs/dbraw/zinc/90/26/06/996902606.db2.gz RSOJHHSGPASGNS-UHFFFAOYSA-N 0 1 418.406 3.771 20 5 HHBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000484739260 997082363 /nfs/dbraw/zinc/08/23/63/997082363.db2.gz LUEKLOPEIYHGNZ-SFHVURJKSA-N 0 1 408.414 3.926 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1SC ZINC000484961119 997337770 /nfs/dbraw/zinc/33/77/70/997337770.db2.gz SCRFKBWATMNFIT-HNNXBMFYSA-N 0 1 421.544 3.954 20 5 HHBDMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485134895 997519801 /nfs/dbraw/zinc/51/98/01/997519801.db2.gz OPUIOGKRMKQJHN-UHFFFAOYSA-N 0 1 415.312 3.980 20 5 HHBDMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000485466059 997911661 /nfs/dbraw/zinc/91/16/61/997911661.db2.gz OMBHUDHNFKFNFV-UHFFFAOYSA-N 0 1 423.847 3.850 20 5 HHBDMN CN1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477493496 998215216 /nfs/dbraw/zinc/21/52/16/998215216.db2.gz WUBLELLHHOTXBI-VOJFVSQTSA-N 0 1 424.835 3.531 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1(c2ccc(Br)cc2)CC1 ZINC000477563492 998281909 /nfs/dbraw/zinc/28/19/09/998281909.db2.gz MIROJHRMQYJVEA-UHFFFAOYSA-N 0 1 404.264 3.883 20 5 HHBDMN CCOc1cc(NC(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)c([N+](=O)[O-])cc1OCC ZINC000486152955 998601954 /nfs/dbraw/zinc/60/19/54/998601954.db2.gz DOPBPUBBHNJADK-RYUDHWBXSA-N 0 1 420.470 3.907 20 5 HHBDMN CCOc1cc(NC(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c([N+](=O)[O-])cc1OCC ZINC000486152952 998601986 /nfs/dbraw/zinc/60/19/86/998601986.db2.gz DOPBPUBBHNJADK-NWDGAFQWSA-N 0 1 420.470 3.907 20 5 HHBDMN CN(C)Cc1ccnc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000486178388 998623907 /nfs/dbraw/zinc/62/39/07/998623907.db2.gz NIVWFCBFBCWQTJ-UHFFFAOYSA-N 0 1 406.442 3.883 20 5 HHBDMN COc1ccc(-c2cc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)[nH]n2)cc1 ZINC000487335837 999138980 /nfs/dbraw/zinc/13/89/80/999138980.db2.gz QPXCCEXOXQNEAD-UHFFFAOYSA-N 0 1 404.386 3.636 20 5 HHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000487391174 999157358 /nfs/dbraw/zinc/15/73/58/999157358.db2.gz WXLNAFJGORKBMX-UHFFFAOYSA-N 0 1 400.460 3.879 20 5 HHBDMN COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccncc2)cc1[N+](=O)[O-] ZINC000479278072 999361120 /nfs/dbraw/zinc/36/11/20/999361120.db2.gz ICTLFMCUWROUKP-UHFFFAOYSA-N 0 1 401.400 3.592 20 5 HHBDMN COc1cc(C)c(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1F ZINC000479569208 999482387 /nfs/dbraw/zinc/48/23/87/999482387.db2.gz VEJZKDHWSMABDD-UHFFFAOYSA-N 0 1 419.228 3.614 20 5 HHBDMN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488944081 999653871 /nfs/dbraw/zinc/65/38/71/999653871.db2.gz QTXUDTSTJRCKDG-UHFFFAOYSA-N 0 1 418.406 3.518 20 5 HHBDMN Cc1csc(Sc2ccc(C(=O)N[C@H](C)Cc3cc(C)[nH]n3)cc2[N+](=O)[O-])n1 ZINC000488964997 999659410 /nfs/dbraw/zinc/65/94/10/999659410.db2.gz CARDDHHTIBTQHD-SNVBAGLBSA-N 0 1 417.516 3.903 20 5 HHBDMN COc1cc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cc([N+](=O)[O-])c1C ZINC000480044954 999699317 /nfs/dbraw/zinc/69/93/17/999699317.db2.gz YHUBJKSOWFOYHQ-UHFFFAOYSA-N 0 1 421.457 3.717 20 5 HHBDMN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480404082 999790827 /nfs/dbraw/zinc/79/08/27/999790827.db2.gz OEUVLQFPVKYRDT-VQIMIIECSA-N 0 1 419.485 3.807 20 5 HHBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1nc2cccc(Cl)c2n1C ZINC000480656559 999852391 /nfs/dbraw/zinc/85/23/91/999852391.db2.gz AGJGMCMOTYFZDK-GFCCVEGCSA-N 0 1 401.854 3.642 20 5 HHBDMN O=C(CSCc1ccc(Cl)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490365457 999945229 /nfs/dbraw/zinc/94/52/29/999945229.db2.gz KHMZPXJMEHXJPR-UHFFFAOYSA-N 0 1 403.851 3.905 20 5 HHBDMN Cc1ccc(-c2nc(CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cs2)o1 ZINC000490403442 999952116 /nfs/dbraw/zinc/95/21/16/999952116.db2.gz WVAWZVQGSVFLNZ-UHFFFAOYSA-N 0 1 410.415 3.586 20 5 HHBDMN COc1cc(CN2CC[C@@H](Nc3ccccc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491227407 1000056784 /nfs/dbraw/zinc/05/67/84/1000056784.db2.gz CVFMLZLMOQTHMF-MRXNPFEDSA-N 0 1 407.417 3.934 20 5 HHBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2O)cc1[N+](=O)[O-] ZINC000491650499 1000091888 /nfs/dbraw/zinc/09/18/88/1000091888.db2.gz AZAREMBVNSAMQG-UHFFFAOYSA-N 0 1 406.338 3.617 20 5 HHBDMN Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000493815282 1000195370 /nfs/dbraw/zinc/19/53/70/1000195370.db2.gz ICXZEPSJDOTGKK-HNAYVOBHSA-N 0 1 423.560 3.635 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000504906383 1000440236 /nfs/dbraw/zinc/44/02/36/1000440236.db2.gz XGYPVMUXJCOFSX-PXNSSMCTSA-N 0 1 411.502 3.878 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000505271027 1000660576 /nfs/dbraw/zinc/66/05/76/1000660576.db2.gz BWFJGTHNZZAQLY-UHFFFAOYSA-N 0 1 408.329 3.784 20 5 HHBDMN CCOc1ccc([C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2cccc(Cl)c2)cc1 ZINC000495457566 1001019694 /nfs/dbraw/zinc/01/96/94/1001019694.db2.gz ZFPYJEAZPXXFJT-QGZVFWFLSA-N 0 1 400.822 3.889 20 5 HHBDMN Cn1cc(CN2CCN(c3cccc(Cl)c3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000505854096 1001062875 /nfs/dbraw/zinc/06/28/75/1001062875.db2.gz ZUULSCSPVBNWIX-UHFFFAOYSA-N 0 1 411.893 3.971 20 5 HHBDMN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000506021235 1001168644 /nfs/dbraw/zinc/16/86/44/1001168644.db2.gz IIRDMGASGBRXCR-AWEZNQCLSA-N 0 1 415.471 3.695 20 5 HHBDMN CN(C)C(=O)C1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000506111156 1001226835 /nfs/dbraw/zinc/22/68/35/1001226835.db2.gz DBZFMXPEGHFHBF-UHFFFAOYSA-N 0 1 401.438 3.826 20 5 HHBDMN COC(=O)[C@H]1CCCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000506295519 1001336046 /nfs/dbraw/zinc/33/60/46/1001336046.db2.gz RMDJZRDOMJRPBC-SFHVURJKSA-N 0 1 414.458 3.567 20 5 HHBDMN CN1C[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](c2ccccc2)C1 ZINC000497427870 1001359111 /nfs/dbraw/zinc/35/91/11/1001359111.db2.gz HDWMCYUQNPEDNK-MSOLQXFVSA-N 0 1 408.483 3.546 20 5 HHBDMN O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1F)c1n[nH]cc1[N+](=O)[O-] ZINC000497656773 1001474919 /nfs/dbraw/zinc/47/49/19/1001474919.db2.gz XUSZBRRHGMMEJJ-HNNXBMFYSA-N 0 1 419.210 3.739 20 5 HHBDMN CC[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)c(OC)c1 ZINC000506640406 1001479972 /nfs/dbraw/zinc/47/99/72/1001479972.db2.gz YWAXXTLDEROXHD-CJNGLKHVSA-N 0 1 417.462 3.689 20 5 HHBDMN Cc1[nH]nc(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000497879692 1001548097 /nfs/dbraw/zinc/54/80/97/1001548097.db2.gz CFUJJDSFIKQRKF-CYBMUJFWSA-N 0 1 412.368 3.637 20 5 HHBDMN Cc1[nH]nc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000497879693 1001548183 /nfs/dbraw/zinc/54/81/83/1001548183.db2.gz CFUJJDSFIKQRKF-ZDUSSCGKSA-N 0 1 412.368 3.637 20 5 HHBDMN CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497990366 1001593528 /nfs/dbraw/zinc/59/35/28/1001593528.db2.gz PCISXVMZPROQPU-LPHOPBHVSA-N 0 1 405.401 3.532 20 5 HHBDMN CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497990366 1001593532 /nfs/dbraw/zinc/59/35/32/1001593532.db2.gz PCISXVMZPROQPU-LPHOPBHVSA-N 0 1 405.401 3.532 20 5 HHBDMN CN(C(=O)CNC1(c2ccc(Br)cc2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000506932813 1001600889 /nfs/dbraw/zinc/60/08/89/1001600889.db2.gz QWMMIMXLTKOSKJ-UHFFFAOYSA-N 0 1 418.291 3.989 20 5 HHBDMN COc1cccc(-c2cc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC000498159991 1001668460 /nfs/dbraw/zinc/66/84/60/1001668460.db2.gz XYNGRVJXJXXHCU-HXUWFJFHSA-N 0 1 410.455 3.881 20 5 HHBDMN CCN(CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)CCC(F)(F)F ZINC000507082409 1001796423 /nfs/dbraw/zinc/79/64/23/1001796423.db2.gz DCRMIHMIIMRITA-UHFFFAOYSA-N 0 1 401.307 3.618 20 5 HHBDMN Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)nn1CCCOc1ccc(F)cc1 ZINC000507082987 1001796729 /nfs/dbraw/zinc/79/67/29/1001796729.db2.gz GQZAUQQVUBDZNB-UHFFFAOYSA-N 0 1 414.393 3.666 20 5 HHBDMN Cc1cccc2nc(CNC(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)[nH]c21 ZINC000498398454 1001825955 /nfs/dbraw/zinc/82/59/55/1001825955.db2.gz DTJXSPRUIJEFBP-UHFFFAOYSA-N 0 1 403.236 3.780 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C[C@H](C)O1 ZINC000507297511 1001981081 /nfs/dbraw/zinc/98/10/81/1001981081.db2.gz BOMVNFRLLRVJRP-GASCZTMLSA-N 0 1 417.893 3.787 20 5 HHBDMN COc1ccc(CC[C@H]2CCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OC ZINC000507321409 1002000614 /nfs/dbraw/zinc/00/06/14/1002000614.db2.gz DIPGCNFHJNGPKX-QGZVFWFLSA-N 0 1 414.458 3.945 20 5 HHBDMN CCN1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507335361 1002006979 /nfs/dbraw/zinc/00/69/79/1002006979.db2.gz ZDJCFDXITKOFRY-ROUUACIJSA-N 0 1 407.829 3.658 20 5 HHBDMN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498898161 1002288628 /nfs/dbraw/zinc/28/86/28/1002288628.db2.gz YCXIPXKCEXMJQU-NSHDSACASA-N 0 1 409.368 3.629 20 5 HHBDMN COc1ccccc1C(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000507772623 1002336692 /nfs/dbraw/zinc/33/66/92/1002336692.db2.gz SCBZWLCBPVLFJF-UHFFFAOYSA-N 0 1 422.279 3.829 20 5 HHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000508786727 1003216004 /nfs/dbraw/zinc/21/60/04/1003216004.db2.gz XNAFHTYLCJSHII-UHFFFAOYSA-N 0 1 418.881 3.651 20 5 HHBDMN O=[N+]([O-])c1cnn(CCN2CCC(F)(c3ccccc3OC(F)(F)F)CC2)c1 ZINC000500122083 1003484214 /nfs/dbraw/zinc/48/42/14/1003484214.db2.gz ILYQVOYOYSNICI-UHFFFAOYSA-N 0 1 402.348 3.651 20 5 HHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(S(=O)(=O)CC)ccc1O ZINC000509158854 1003592552 /nfs/dbraw/zinc/59/25/52/1003592552.db2.gz QVFTYBGJJHSQDA-UHFFFAOYSA-N 0 1 424.500 3.848 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511828775 1003799471 /nfs/dbraw/zinc/79/94/71/1003799471.db2.gz UBAMZZYNCPIHNF-INIZCTEOSA-N 0 1 407.392 3.926 20 5 HHBDMN C[NH+](C)Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Cl ZINC000500778701 1003951012 /nfs/dbraw/zinc/95/10/12/1003951012.db2.gz KNMBGGIUZNKKHT-UHFFFAOYSA-N 0 1 404.275 3.764 20 5 HHBDMN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512034805 1003970418 /nfs/dbraw/zinc/97/04/18/1003970418.db2.gz JMMQLDVDYWRZBM-KRWDZBQOSA-N 0 1 422.407 3.687 20 5 HHBDMN COc1cc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c([N+](=O)[O-])cc1O ZINC000509601141 1003972816 /nfs/dbraw/zinc/97/28/16/1003972816.db2.gz OEEKIRHSZLAHSD-UHFFFAOYSA-N 0 1 422.363 3.803 20 5 HHBDMN O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000512150883 1004059871 /nfs/dbraw/zinc/05/98/71/1004059871.db2.gz WYVBDRWBGVNJHK-UHFFFAOYSA-N 0 1 423.498 3.626 20 5 HHBDMN O=C(Cc1ccccc1)N1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000509963730 1004234534 /nfs/dbraw/zinc/23/45/34/1004234534.db2.gz LRBCVHSBKJWKPQ-QGZVFWFLSA-N 0 1 419.428 3.520 20 5 HHBDMN Cc1nn(-c2ccccc2)cc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000512391324 1004265344 /nfs/dbraw/zinc/26/53/44/1004265344.db2.gz MHDNTMCXSUZDEO-UHFFFAOYSA-N 0 1 402.458 3.779 20 5 HHBDMN C[C@H](O)C[C@@H]1CCCCCN1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000512443646 1004305080 /nfs/dbraw/zinc/30/50/80/1004305080.db2.gz FOBJPMIASWRBOJ-HOCLYGCPSA-N 0 1 418.519 3.672 20 5 HHBDMN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(OC)c1 ZINC000510192567 1004387348 /nfs/dbraw/zinc/38/73/48/1004387348.db2.gz NLZUOGCSCZUKSG-HNNXBMFYSA-N 0 1 407.854 3.945 20 5 HHBDMN O=[N+]([O-])c1ccc(NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000513107989 1004810837 /nfs/dbraw/zinc/81/08/37/1004810837.db2.gz JMTNUBGUNPDKRY-UHFFFAOYSA-N 0 1 409.412 3.633 20 5 HHBDMN CC(C)C[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000502094182 1004900444 /nfs/dbraw/zinc/90/04/44/1004900444.db2.gz ZTRRPMBNYVUCHS-AWEZNQCLSA-N 0 1 405.476 3.560 20 5 HHBDMN Cn1ccnc1[C@H](NCC(C)(C)N1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000513718377 1005094846 /nfs/dbraw/zinc/09/48/46/1005094846.db2.gz XTUWXKRBWSNKNY-JOCHJYFZSA-N 0 1 419.529 3.844 20 5 HHBDMN C[C@@H]1CN(C2CCN(C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)CC2)CCO1 ZINC000513736902 1005103097 /nfs/dbraw/zinc/10/30/97/1005103097.db2.gz OMLJJJMZRGKDIV-QGZVFWFLSA-N 0 1 424.501 3.664 20 5 HHBDMN O=C(CN[C@@]1(Cc2ccc(Cl)cc2)CCOC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000502592410 1005131914 /nfs/dbraw/zinc/13/19/14/1005131914.db2.gz FRPQPDCICKKZSD-LJQANCHMSA-N 0 1 424.284 3.832 20 5 HHBDMN C[N@@H+]1CC[C@@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000502853094 1005244462 /nfs/dbraw/zinc/24/44/62/1005244462.db2.gz QRYAZECXHYNVFR-KPZWWZAWSA-N 0 1 407.829 3.516 20 5 HHBDMN C[N@H+]1CC[C@@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000502853094 1005244465 /nfs/dbraw/zinc/24/44/65/1005244465.db2.gz QRYAZECXHYNVFR-KPZWWZAWSA-N 0 1 407.829 3.516 20 5 HHBDMN CCCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502919993 1005274986 /nfs/dbraw/zinc/27/49/86/1005274986.db2.gz QMWPQOQFUKPLML-KRWDZBQOSA-N 0 1 424.501 3.613 20 5 HHBDMN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(OC[C@@H]2CCCO2)c1 ZINC000511735126 1005298585 /nfs/dbraw/zinc/29/85/85/1005298585.db2.gz PIUDKXKHJFGNMA-INIZCTEOSA-N 0 1 406.460 3.570 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)CN(C)c4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000534202386 1006193890 /nfs/dbraw/zinc/19/38/90/1006193890.db2.gz LGAGBCLJKWTXDB-MRXNPFEDSA-N 0 1 407.474 3.622 20 5 HHBDMN CCc1nc([C@H](C)NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000534234897 1006236814 /nfs/dbraw/zinc/23/68/14/1006236814.db2.gz HTZYURYEIOTQLF-HNNXBMFYSA-N 0 1 417.473 3.979 20 5 HHBDMN C[C@@H](N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000515523348 1006513505 /nfs/dbraw/zinc/51/35/05/1006513505.db2.gz STUVMDXJEWRFNT-ZIAGYGMSSA-N 0 1 411.462 3.557 20 5 HHBDMN Cc1ccc([C@@H](C)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000532214048 1006726408 /nfs/dbraw/zinc/72/64/08/1006726408.db2.gz RWWBVYDBXNTLRW-MRXNPFEDSA-N 0 1 405.520 3.582 20 5 HHBDMN CCc1nsc(N2CCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n1 ZINC000538728682 1007007130 /nfs/dbraw/zinc/00/71/30/1007007130.db2.gz QANYPKIDYAUPJT-UHFFFAOYSA-N 0 1 413.503 3.981 20 5 HHBDMN CNC(=O)[C@@H]1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000538729645 1007008780 /nfs/dbraw/zinc/00/87/80/1007008780.db2.gz HKTVNEDNSOKZMU-OAHLLOKOSA-N 0 1 403.866 3.999 20 5 HHBDMN CN1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534962774 1007012004 /nfs/dbraw/zinc/01/20/04/1007012004.db2.gz JOMHNYSICKRECV-QRWLVFNGSA-N 0 1 405.857 3.739 20 5 HHBDMN CN1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534962772 1007012461 /nfs/dbraw/zinc/01/24/61/1007012461.db2.gz JOMHNYSICKRECV-FOIQADDNSA-N 0 1 405.857 3.739 20 5 HHBDMN CC[NH+](CC)Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000516341543 1007028228 /nfs/dbraw/zinc/02/82/28/1007028228.db2.gz FLGAANFOHUESDM-UHFFFAOYSA-N 0 1 411.911 3.569 20 5 HHBDMN CN1CC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534972041 1007029233 /nfs/dbraw/zinc/02/92/33/1007029233.db2.gz QJEHQWAJXNELSM-UGSOOPFHSA-N 0 1 406.845 3.591 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000538782264 1007063340 /nfs/dbraw/zinc/06/33/40/1007063340.db2.gz BSGSPSTUIFCMMI-KRWDZBQOSA-N 0 1 414.481 3.750 20 5 HHBDMN COc1cc(CN2CCC(CCO)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000535069067 1007089743 /nfs/dbraw/zinc/08/97/43/1007089743.db2.gz RIDNGGCSLOSUFG-UHFFFAOYSA-N 0 1 400.475 3.777 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)N2CCCC2)cc1 ZINC000535275614 1007326228 /nfs/dbraw/zinc/32/62/28/1007326228.db2.gz GNEZHOJVGGNCRY-JOCHJYFZSA-N 0 1 424.501 3.508 20 5 HHBDMN C[C@@H](NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000539046159 1007343086 /nfs/dbraw/zinc/34/30/86/1007343086.db2.gz HUEJISQTGBNPPG-LLVKDONJSA-N 0 1 402.252 3.993 20 5 HHBDMN C[C@@H](NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000539046159 1007343096 /nfs/dbraw/zinc/34/30/96/1007343096.db2.gz HUEJISQTGBNPPG-LLVKDONJSA-N 0 1 402.252 3.993 20 5 HHBDMN Cc1ccc([C@H]2CSCCN2CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1 ZINC000532979362 1007350877 /nfs/dbraw/zinc/35/08/77/1007350877.db2.gz DKRNJSLFGBQXRS-LJQANCHMSA-N 0 1 413.499 3.991 20 5 HHBDMN CCc1nc2cc(CNC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)ccc2n1C1CC1 ZINC000517180605 1007485335 /nfs/dbraw/zinc/48/53/35/1007485335.db2.gz BSAYOJHFJWCYPR-UHFFFAOYSA-N 0 1 404.430 3.648 20 5 HHBDMN CN1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000535461712 1007525370 /nfs/dbraw/zinc/52/53/70/1007525370.db2.gz AOAFYFATMSADMD-IRXDYDNUSA-N 0 1 404.264 3.533 20 5 HHBDMN C[C@@H](NCC(=O)N(C)Cc1cc(Br)cs1)c1cccc([N+](=O)[O-])c1 ZINC000539276999 1007571579 /nfs/dbraw/zinc/57/15/79/1007571579.db2.gz SJBLCXJGGNVVIH-LLVKDONJSA-N 0 1 412.309 3.728 20 5 HHBDMN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000539327215 1007627080 /nfs/dbraw/zinc/62/70/80/1007627080.db2.gz SJLBHEMDXVOHIN-CQSZACIVSA-N 0 1 401.438 3.836 20 5 HHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3c(Cl)cccc3N3CCCC3)C2)nc1 ZINC000539405594 1007712436 /nfs/dbraw/zinc/71/24/36/1007712436.db2.gz FAFWGSLVLZOFHX-HNNXBMFYSA-N 0 1 401.898 3.930 20 5 HHBDMN O=C(CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Nc1cc(Cl)cc(Cl)c1 ZINC000517611027 1007815185 /nfs/dbraw/zinc/81/51/85/1007815185.db2.gz WWFJAWCRNCNJDD-UHFFFAOYSA-N 0 1 422.228 3.537 20 5 HHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000539750089 1008064291 /nfs/dbraw/zinc/06/42/91/1008064291.db2.gz AQEIHSBXCRHESF-GOSISDBHSA-N 0 1 405.458 3.719 20 5 HHBDMN CCc1c(NC(=O)c2ccc([N+](=O)[O-])n2C)[nH]nc1-c1ccc(Br)cc1 ZINC000518428689 1008300994 /nfs/dbraw/zinc/30/09/94/1008300994.db2.gz MNQPMBNNBAAORR-UHFFFAOYSA-N 0 1 418.251 3.901 20 5 HHBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000518659744 1008382589 /nfs/dbraw/zinc/38/25/89/1008382589.db2.gz MJDXEIJIWYQGJK-SECBINFHSA-N 0 1 406.794 3.889 20 5 HHBDMN COc1ccc(S(=O)(=O)[N-]c2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000540339157 1008387481 /nfs/dbraw/zinc/38/74/81/1008387481.db2.gz QUDAJRZXBXCSCP-OAHLLOKOSA-N 0 1 419.503 3.779 20 5 HHBDMN COc1ccc(S(=O)(=O)[N-]c2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000540339157 1008387485 /nfs/dbraw/zinc/38/74/85/1008387485.db2.gz QUDAJRZXBXCSCP-OAHLLOKOSA-N 0 1 419.503 3.779 20 5 HHBDMN O=C1[C@H](Sc2nc(-c3ccc(Cl)cc3)n[nH]2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000518789313 1008421220 /nfs/dbraw/zinc/42/12/20/1008421220.db2.gz LQGJBODBYXAITH-OAHLLOKOSA-N 0 1 415.862 3.931 20 5 HHBDMN Cc1c([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000540466718 1008442151 /nfs/dbraw/zinc/44/21/51/1008442151.db2.gz HACFMPMEYIVVJJ-KBPBESRZSA-N 0 1 411.437 3.906 20 5 HHBDMN Cc1c([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1-c1ccc(F)cc1 ZINC000540467471 1008442721 /nfs/dbraw/zinc/44/27/21/1008442721.db2.gz KTFRPEBMMQXLJR-AWEZNQCLSA-N 0 1 411.437 3.826 20 5 HHBDMN Cc1c([C@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000540469062 1008443545 /nfs/dbraw/zinc/44/35/45/1008443545.db2.gz DGMMGSJBXNXZNN-UONOGXRCSA-N 0 1 411.437 3.906 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000540484195 1008450148 /nfs/dbraw/zinc/45/01/48/1008450148.db2.gz ZXXVJIGRNVEENX-CYBMUJFWSA-N 0 1 400.815 3.580 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)CC3CCC3)cc2)cc1[N+](=O)[O-] ZINC000518990052 1008495997 /nfs/dbraw/zinc/49/59/97/1008495997.db2.gz KBYPNCXDCZSZOF-UHFFFAOYSA-N 0 1 417.487 3.576 20 5 HHBDMN CCc1[nH]nc(C(=O)N(Cc2cccs2)Cc2ccccc2OC)c1[N+](=O)[O-] ZINC000549077338 1008642352 /nfs/dbraw/zinc/64/23/52/1008642352.db2.gz IBCMKMIHDKUMQR-UHFFFAOYSA-N 0 1 400.460 3.793 20 5 HHBDMN CN(C)[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000543267605 1008840499 /nfs/dbraw/zinc/84/04/99/1008840499.db2.gz FPWANYWCEJPIFK-INIZCTEOSA-N 0 1 411.886 3.899 20 5 HHBDMN O=C1Nc2cc(Cl)ccc2[C@@H]1C1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000549405515 1008993293 /nfs/dbraw/zinc/99/32/93/1008993293.db2.gz VQELMZSDEGUZQS-IBGZPJMESA-N 0 1 401.850 3.902 20 5 HHBDMN CCOc1ccc([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1OCC ZINC000519890701 1009056573 /nfs/dbraw/zinc/05/65/73/1009056573.db2.gz MUMFFOTXRQAAPS-LBPRGKRZSA-N 0 1 412.439 3.571 20 5 HHBDMN COc1cccc([C@H]2[C@@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)CCN2C2CC2)c1 ZINC000549476698 1009073275 /nfs/dbraw/zinc/07/32/75/1009073275.db2.gz OPMSBDGQDYVPMW-AVRDEDQJSA-N 0 1 408.458 3.812 20 5 HHBDMN COc1cccc([C@@H]2[C@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)CCN2C2CC2)c1 ZINC000549476705 1009073654 /nfs/dbraw/zinc/07/36/54/1009073654.db2.gz OPMSBDGQDYVPMW-XMSQKQJNSA-N 0 1 408.458 3.812 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1 ZINC000520038008 1009196702 /nfs/dbraw/zinc/19/67/02/1009196702.db2.gz VJBZQSOJUWXQDJ-QGZVFWFLSA-N 0 1 420.487 3.824 20 5 HHBDMN COC(=O)c1ccc(OCc2nc3ccc(Br)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000543638816 1009243145 /nfs/dbraw/zinc/24/31/45/1009243145.db2.gz LXQZJPSKHQJABF-UHFFFAOYSA-N 0 1 406.192 3.599 20 5 HHBDMN Cc1cc(N2CCC(C(=O)NCCCOC(C)C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543960315 1009563584 /nfs/dbraw/zinc/56/35/84/1009563584.db2.gz LSMCPEUVERAATF-UHFFFAOYSA-N 0 1 414.506 3.599 20 5 HHBDMN CCc1cnccc1[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000543979666 1009580926 /nfs/dbraw/zinc/58/09/26/1009580926.db2.gz YKCDCYNAZNGSDO-NSHDSACASA-N 0 1 407.268 3.604 20 5 HHBDMN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000520621168 1009699425 /nfs/dbraw/zinc/69/94/25/1009699425.db2.gz VERSDFXUUOZURO-ZDUSSCGKSA-N 0 1 405.476 3.541 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])N(C)C)c1 ZINC000544205500 1009810718 /nfs/dbraw/zinc/81/07/18/1009810718.db2.gz VDQJIZABTCKNDI-QGZVFWFLSA-N 0 1 423.922 3.768 20 5 HHBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc(OC(F)F)c2)c1 ZINC000520872483 1009926241 /nfs/dbraw/zinc/92/62/41/1009926241.db2.gz QHPNGQUTXACRNK-UHFFFAOYSA-N 0 1 423.191 3.760 20 5 HHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000544357991 1009984739 /nfs/dbraw/zinc/98/47/39/1009984739.db2.gz GREGQWXPELIONF-QGZVFWFLSA-N 0 1 419.363 3.570 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2)cc1[N+](=O)[O-] ZINC000547030260 1009988011 /nfs/dbraw/zinc/98/80/11/1009988011.db2.gz VKMZQFGTMAJYPW-UHFFFAOYSA-N 0 1 400.416 3.631 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000544361116 1009989063 /nfs/dbraw/zinc/98/90/63/1009989063.db2.gz SAMFXXWYWIBNNB-OAHLLOKOSA-N 0 1 405.336 3.560 20 5 HHBDMN CN(C)[C@H](CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000550645536 1010080198 /nfs/dbraw/zinc/08/01/98/1010080198.db2.gz WUYDUDPHZTUUTE-LJQANCHMSA-N 0 1 402.882 3.619 20 5 HHBDMN CN(C)Cc1cc(-c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)ccc1F ZINC000547168714 1010111895 /nfs/dbraw/zinc/11/18/95/1010111895.db2.gz WLXGNUIYYVDPJO-UHFFFAOYSA-N 0 1 408.393 3.698 20 5 HHBDMN O=[N+]([O-])c1cc(-c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)ccc1N1CCCC1 ZINC000547207770 1010152105 /nfs/dbraw/zinc/15/21/05/1010152105.db2.gz JEWGHDAOPGJZSV-UHFFFAOYSA-N 0 1 417.429 3.621 20 5 HHBDMN COc1ccc(NC(=O)CN(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000544525523 1010154773 /nfs/dbraw/zinc/15/47/73/1010154773.db2.gz HYNBZOJXZFJLRT-UZLBHIALSA-N 0 1 417.437 3.533 20 5 HHBDMN C[C@H](Cc1ccc(C(F)(F)F)cc1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000521163967 1010196496 /nfs/dbraw/zinc/19/64/96/1010196496.db2.gz IHZWJFSAHVSWFS-SNVBAGLBSA-N 0 1 406.357 3.662 20 5 HHBDMN CC(C)(C)c1ccc(Oc2ccc(CN[C@@]3(CO)CCOC3)cc2[N+](=O)[O-])cc1 ZINC000544595087 1010220982 /nfs/dbraw/zinc/22/09/82/1010220982.db2.gz QAHDJWVIZRZERR-JOCHJYFZSA-N 0 1 400.475 3.926 20 5 HHBDMN CC(C)(NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000551016201 1010318292 /nfs/dbraw/zinc/31/82/92/1010318292.db2.gz MSCLSYHQOGPLLP-UHFFFAOYSA-N 0 1 406.357 3.966 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CC=C(c3cccc(Br)c3)CC2)c1[N+](=O)[O-] ZINC000545155026 1010653148 /nfs/dbraw/zinc/65/31/48/1010653148.db2.gz CRPAOWACRVFYQL-UHFFFAOYSA-N 0 1 419.279 3.962 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])[nH]c2c1 ZINC000521934693 1010722884 /nfs/dbraw/zinc/72/28/84/1010722884.db2.gz KYNHVJIZHVOFEP-KRWDZBQOSA-N 0 1 414.487 3.922 20 5 HHBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000545364593 1010753307 /nfs/dbraw/zinc/75/33/07/1010753307.db2.gz ZQWWFHITPFTOPQ-HNNXBMFYSA-N 0 1 406.851 3.650 20 5 HHBDMN C[C@@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCc2ccccc2C1 ZINC000522101721 1010812346 /nfs/dbraw/zinc/81/23/46/1010812346.db2.gz HBUUZWHUGDYXQB-HNNXBMFYSA-N 0 1 422.510 3.895 20 5 HHBDMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000522205663 1010865117 /nfs/dbraw/zinc/86/51/17/1010865117.db2.gz UCBQHENSCGSAHN-INIZCTEOSA-N 0 1 414.481 3.675 20 5 HHBDMN CCCCc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)cc2[nH]1 ZINC000540644251 1011294103 /nfs/dbraw/zinc/29/41/03/1011294103.db2.gz GVWLRSJKZLPYOX-UHFFFAOYSA-N 0 1 423.473 3.903 20 5 HHBDMN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCN(CC2CCOCC2)CC1 ZINC000522914532 1011360007 /nfs/dbraw/zinc/36/00/07/1011360007.db2.gz MXBRTYJHXYDPGG-UHFFFAOYSA-N 0 1 424.501 3.523 20 5 HHBDMN CNc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1[N+](=O)[O-] ZINC000540844765 1011508817 /nfs/dbraw/zinc/50/88/17/1011508817.db2.gz FMDFONYWQKQAMM-INIZCTEOSA-N 0 1 412.494 3.822 20 5 HHBDMN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000540845904 1011510150 /nfs/dbraw/zinc/51/01/50/1011510150.db2.gz OFQQQCAOZUMHII-AWEZNQCLSA-N 0 1 401.442 3.920 20 5 HHBDMN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541024048 1011658872 /nfs/dbraw/zinc/65/88/72/1011658872.db2.gz HNWJHIGOXFXYMS-UHFFFAOYSA-N 0 1 409.736 3.887 20 5 HHBDMN Cc1ccc([C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000541025920 1011661749 /nfs/dbraw/zinc/66/17/49/1011661749.db2.gz FNPZGCVDXKYKKK-OAHLLOKOSA-N 0 1 409.389 3.665 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000551812149 1011969625 /nfs/dbraw/zinc/96/96/25/1011969625.db2.gz BSOJEQADBMZZNP-CMJOXMDJSA-N 0 1 422.485 3.979 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000523486110 1012002428 /nfs/dbraw/zinc/00/24/28/1012002428.db2.gz WDZSMGPVAOZNAK-FQEVSTJZSA-N 0 1 411.502 3.834 20 5 HHBDMN C[C@@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000536805759 1012027818 /nfs/dbraw/zinc/02/78/18/1012027818.db2.gz JTTVLUYORRPCJL-MRXNPFEDSA-N 0 1 403.504 3.620 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000536806274 1012029077 /nfs/dbraw/zinc/02/90/77/1012029077.db2.gz KXFPFYCWXSKOFX-MRXNPFEDSA-N 0 1 403.504 3.539 20 5 HHBDMN CN(C)[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000552045936 1012065821 /nfs/dbraw/zinc/06/58/21/1012065821.db2.gz TYDHPEAAMKWFDD-UXHICEINSA-N 0 1 413.909 3.964 20 5 HHBDMN Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)N2CCCC2)o1 ZINC000523549172 1012084519 /nfs/dbraw/zinc/08/45/19/1012084519.db2.gz BNQNEXXJXMQESL-MRXNPFEDSA-N 0 1 422.279 3.826 20 5 HHBDMN Cc1c([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)nnn1-c1cccc(Cl)c1 ZINC000536857976 1012091154 /nfs/dbraw/zinc/09/11/54/1012091154.db2.gz KYLQEKNELDSPLL-ZDUSSCGKSA-N 0 1 401.854 3.867 20 5 HHBDMN C[C@H](N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000536873167 1012114331 /nfs/dbraw/zinc/11/43/31/1012114331.db2.gz ZYXZEQLYLULBEZ-SJCJKPOMSA-N 0 1 409.364 3.950 20 5 HHBDMN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000541488608 1012261883 /nfs/dbraw/zinc/26/18/83/1012261883.db2.gz JHQFNQJYIOKUIK-KRWDZBQOSA-N 0 1 412.494 3.850 20 5 HHBDMN COc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cc1[N+](=O)[O-] ZINC000552414755 1012429704 /nfs/dbraw/zinc/42/97/04/1012429704.db2.gz BKTNDZKUTSOUCE-INIZCTEOSA-N 0 1 405.401 3.699 20 5 HHBDMN CCSc1ccc([C@@H](C)NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000537101245 1012465577 /nfs/dbraw/zinc/46/55/77/1012465577.db2.gz FEAHJWLLQKFAEV-GFCCVEGCSA-N 0 1 403.460 3.725 20 5 HHBDMN CN(C(=O)CN[C@@H](COc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000537116752 1012494187 /nfs/dbraw/zinc/49/41/87/1012494187.db2.gz VOGUUVXGRUQPPW-QFIPXVFZSA-N 0 1 405.454 3.968 20 5 HHBDMN Cc1ccc([C@H](C)NCC(=O)N(C)CCCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000537178874 1012587200 /nfs/dbraw/zinc/58/72/00/1012587200.db2.gz FNVHYUOLXUZIRP-INIZCTEOSA-N 0 1 403.454 3.620 20 5 HHBDMN NC(=O)c1ccc(CN2CCCN(c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000537289815 1012747694 /nfs/dbraw/zinc/74/76/94/1012747694.db2.gz IJXCIRVNXKCEAO-UHFFFAOYSA-N 0 1 423.300 3.713 20 5 HHBDMN Cn1ccc2ccc(NS(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc21 ZINC000760343855 1072265783 /nfs/dbraw/zinc/26/57/83/1072265783.db2.gz IKQSZEPWODKMBB-UHFFFAOYSA-N 0 1 410.249 3.650 20 5 HHBDMN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2cccc(Cl)c2)N2CCCC2)n1 ZINC000587192465 1072518340 /nfs/dbraw/zinc/51/83/40/1072518340.db2.gz VTOJJUKZIRWKJI-QGZVFWFLSA-N 0 1 404.854 3.679 20 5 HHBDMN Nc1cc(NC[C@H](c2ccccc2)N2CCc3sccc3C2)cc(CO)c1[N+](=O)[O-] ZINC000587240162 1072531379 /nfs/dbraw/zinc/53/13/79/1072531379.db2.gz ZUKHTAODXXMIMC-HXUWFJFHSA-N 0 1 424.526 3.942 20 5 HHBDMN COc1cc(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc([N+](=O)[O-])c1C ZINC000479387446 1072799665 /nfs/dbraw/zinc/79/96/65/1072799665.db2.gz AGOZPBPCSIDZAA-INIZCTEOSA-N 0 1 407.430 3.674 20 5 HHBDMN COc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc([N+](=O)[O-])c1C ZINC000479387446 1072799670 /nfs/dbraw/zinc/79/96/70/1072799670.db2.gz AGOZPBPCSIDZAA-INIZCTEOSA-N 0 1 407.430 3.674 20 5 HHBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555130347 1073181990 /nfs/dbraw/zinc/18/19/90/1073181990.db2.gz CAIFDWDNSFJIJT-NVXWUHKLSA-N 0 1 409.893 3.825 20 5 HHBDMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cccc(CN2CCSCC2)c1 ZINC000572200296 1073226397 /nfs/dbraw/zinc/22/63/97/1073226397.db2.gz SEYHZECHUITZFR-UHFFFAOYSA-N 0 1 407.442 3.603 20 5 HHBDMN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C ZINC000588855637 1073309203 /nfs/dbraw/zinc/30/92/03/1073309203.db2.gz BSIIHIPFEKEAGQ-UHFFFAOYSA-N 0 1 422.850 3.552 20 5 HHBDMN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1n[nH]c2cc(O)ccc21 ZINC000590557113 1073891496 /nfs/dbraw/zinc/89/14/96/1073891496.db2.gz XFZKZBBNMVVLGZ-UHFFFAOYSA-N 0 1 409.324 3.636 20 5 HHBDMN CC1CCN([C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c2cccs2)CC1 ZINC000591719437 1074482026 /nfs/dbraw/zinc/48/20/26/1074482026.db2.gz TUUHWYMAZKZIDM-MRXNPFEDSA-N 0 1 417.487 3.588 20 5 HHBDMN O=[N+]([O-])c1c(Cl)ccnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906114 721584859 /nfs/dbraw/zinc/58/48/59/721584859.db2.gz LNHHPCOLRCKTPK-GOSISDBHSA-N 0 1 423.851 3.776 20 5 HHBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908310 721709626 /nfs/dbraw/zinc/70/96/26/721709626.db2.gz WYWGOOIGBJRCRG-HXUWFJFHSA-N 0 1 417.460 3.739 20 5 HHBDMN O=[N+]([O-])c1ccc2nc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)cnc2c1 ZINC001164995221 722195861 /nfs/dbraw/zinc/19/58/61/722195861.db2.gz SRCFWILLTXEEPG-JOCHJYFZSA-N 0 1 407.449 3.922 20 5 HHBDMN O=[N+]([O-])c1cccc2ncnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c21 ZINC001164994269 722212408 /nfs/dbraw/zinc/21/24/08/722212408.db2.gz AAMOPBWIFGZATF-QFIPXVFZSA-N 0 1 407.449 3.922 20 5 HHBDMN C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000301560826 970979745 /nfs/dbraw/zinc/97/97/45/970979745.db2.gz UNMQICAXXJMQFR-GOSISDBHSA-N 0 1 408.502 3.542 20 5 HHBDMN O=[N+]([O-])c1cnc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c(Br)c1 ZINC000301833939 971079551 /nfs/dbraw/zinc/07/95/51/971079551.db2.gz JYXUBJUZEPNTBV-AWEZNQCLSA-N 0 1 415.251 3.879 20 5 HHBDMN O=[N+]([O-])c1cnc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c(Br)c1 ZINC000301833939 971079562 /nfs/dbraw/zinc/07/95/62/971079562.db2.gz JYXUBJUZEPNTBV-AWEZNQCLSA-N 0 1 415.251 3.879 20 5 HHBDMN C[C@@H]1CCCN(Cc2ccccc2CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301901094 971107045 /nfs/dbraw/zinc/10/70/45/971107045.db2.gz VHXYOBHJNOZBTH-MRXNPFEDSA-N 0 1 417.531 3.842 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN(c4ccc(S(C)(=O)=O)cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000302035125 971157551 /nfs/dbraw/zinc/15/75/51/971157551.db2.gz FDKGMBHKJASCQJ-CQSZACIVSA-N 0 1 414.487 3.567 20 5 HHBDMN Cc1cc(NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c2cc(F)ccc2n1 ZINC000302400458 971233149 /nfs/dbraw/zinc/23/31/49/971233149.db2.gz DVMOQUIMQHFEIE-UHFFFAOYSA-N 0 1 418.450 3.518 20 5 HHBDMN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000537550100 1013072411 /nfs/dbraw/zinc/07/24/11/1013072411.db2.gz BVUVSLUYZZYHAU-CQSZACIVSA-N 0 1 401.442 3.920 20 5 HHBDMN C[C@@H]([NH2+]C(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000303326949 971632853 /nfs/dbraw/zinc/63/28/53/971632853.db2.gz BAAYGUCCZHZOID-CYBMUJFWSA-N 0 1 411.911 3.656 20 5 HHBDMN O=C(CN1CCC(c2c[nH]c3cc(F)ccc32)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303444097 971736370 /nfs/dbraw/zinc/73/63/70/971736370.db2.gz GLGQDNLEZZQSEP-UHFFFAOYSA-N 0 1 422.460 3.984 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1cccc(Br)c1 ZINC000542210115 1013156450 /nfs/dbraw/zinc/15/64/50/1013156450.db2.gz NFIOSAZTJYGCBS-IRXDYDNUSA-N 0 1 421.291 3.934 20 5 HHBDMN CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)[nH]c2c1 ZINC000005667450 960761649 /nfs/dbraw/zinc/76/16/49/960761649.db2.gz RWYHOXYRWQYGNG-NSHDSACASA-N 0 1 416.459 3.998 20 5 HHBDMN CCCN(C)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000553243018 1013208381 /nfs/dbraw/zinc/20/83/81/1013208381.db2.gz PPHIYEBLWMDYCA-GOSISDBHSA-N 0 1 415.881 4.392 20 5 HHBDMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc([N+](=O)[O-])cn1 ZINC000537688606 1013251676 /nfs/dbraw/zinc/25/16/76/1013251676.db2.gz VXBIUBKOATZQRQ-UHFFFAOYSA-N 0 1 401.251 3.773 20 5 HHBDMN COC(=O)c1cc(C)nc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000553445241 1013360161 /nfs/dbraw/zinc/36/01/61/1013360161.db2.gz KDBQUGVZSSHTAS-OAHLLOKOSA-N 0 1 415.837 3.956 20 5 HHBDMN Cc1nn(Cc2ccc(C(=O)Nc3nc4ccc(C)cc4[nH]3)cc2)c(C)c1[N+](=O)[O-] ZINC000553473423 1013380410 /nfs/dbraw/zinc/38/04/10/1013380410.db2.gz KLMMUXSJKSUDTR-UHFFFAOYSA-N 0 1 404.430 3.893 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000016241331 962987568 /nfs/dbraw/zinc/98/75/68/962987568.db2.gz HDXICLXCLXHAQQ-GOSISDBHSA-N 0 1 400.504 3.727 20 5 HHBDMN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000017356610 963194467 /nfs/dbraw/zinc/19/44/67/963194467.db2.gz YRXYMSKZIUVUPS-UHFFFAOYSA-N 0 1 417.465 3.848 20 5 HHBDMN O=C(NCCc1c[nH]c2ccc(Br)cc12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000542460562 1013407787 /nfs/dbraw/zinc/40/77/87/1013407787.db2.gz GIMZBBAXOPSFHD-UHFFFAOYSA-N 0 1 404.220 3.517 20 5 HHBDMN COc1cccc([C@H]2[C@H](Nc3ncnc4sc([N+](=O)[O-])cc43)CC[N@H+]2C2CC2)c1 ZINC000553518849 1013417636 /nfs/dbraw/zinc/41/76/36/1013417636.db2.gz NQFZBYRXWUWDME-AEFFLSMTSA-N 0 1 411.487 3.998 20 5 HHBDMN CCc1nc(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n[nH]1 ZINC000021587272 963497692 /nfs/dbraw/zinc/49/76/92/963497692.db2.gz OWUMTZOPLTWQCJ-VIFPVBQESA-N 0 1 404.477 3.518 20 5 HHBDMN CCc1n[nH]c(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000021587272 963497698 /nfs/dbraw/zinc/49/76/98/963497698.db2.gz OWUMTZOPLTWQCJ-VIFPVBQESA-N 0 1 404.477 3.518 20 5 HHBDMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000025034122 964148053 /nfs/dbraw/zinc/14/80/53/964148053.db2.gz HSUXMVXUYWVHFD-HXUWFJFHSA-N 0 1 417.381 3.899 20 5 HHBDMN CCCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000050808927 964405219 /nfs/dbraw/zinc/40/52/19/964405219.db2.gz QOXMMFMKLNDATH-UHFFFAOYSA-N 0 1 405.476 3.704 20 5 HHBDMN COc1ccc(Br)cc1CN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026225262 964492624 /nfs/dbraw/zinc/49/26/24/964492624.db2.gz WVNPNGJKXVGIQV-UHFFFAOYSA-N 0 1 422.279 3.827 20 5 HHBDMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000026474622 964577774 /nfs/dbraw/zinc/57/77/74/964577774.db2.gz KORJVKMXLAKDQN-UHFFFAOYSA-N 0 1 406.807 3.584 20 5 HHBDMN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000027343850 964858032 /nfs/dbraw/zinc/85/80/32/964858032.db2.gz RAAOTWYKDYRWHL-LJQANCHMSA-N 0 1 403.866 3.580 20 5 HHBDMN COc1ccc(Cl)cc1CN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000027739564 964955393 /nfs/dbraw/zinc/95/53/93/964955393.db2.gz VZVZIQAVUSCQNW-UHFFFAOYSA-N 0 1 407.854 3.726 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000057124726 965297942 /nfs/dbraw/zinc/29/79/42/965297942.db2.gz NRJFZRWGNKXMTM-HNNXBMFYSA-N 0 1 406.460 3.652 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000057124680 965297973 /nfs/dbraw/zinc/29/79/73/965297973.db2.gz CCBSQIVYBOVWRF-HNNXBMFYSA-N 0 1 406.460 3.652 20 5 HHBDMN CCC[C@H](C)N(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000029447722 965383242 /nfs/dbraw/zinc/38/32/42/965383242.db2.gz ODORFGQDCWDPDZ-HNNXBMFYSA-N 0 1 419.503 3.965 20 5 HHBDMN Cc1cc(Cl)cc2c1OCCC[C@@H]2NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000542665034 1013590665 /nfs/dbraw/zinc/59/06/65/1013590665.db2.gz AHGRJHJDICVRPT-SFHVURJKSA-N 0 1 424.906 3.834 20 5 HHBDMN CCN(CC(C)C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000031376747 965998550 /nfs/dbraw/zinc/99/85/50/965998550.db2.gz DLFDXWHFFBOTBC-UHFFFAOYSA-N 0 1 419.503 3.822 20 5 HHBDMN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000553814618 1013631715 /nfs/dbraw/zinc/63/17/15/1013631715.db2.gz XXHIPRFCQWCWBT-UHFFFAOYSA-N 0 1 414.443 3.687 20 5 HHBDMN C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000032354733 966229271 /nfs/dbraw/zinc/22/92/71/966229271.db2.gz FQFZDYMNXPOGGH-ZDUSSCGKSA-N 0 1 413.865 3.644 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)[nH]c2c1 ZINC000060919566 966326265 /nfs/dbraw/zinc/32/62/65/966326265.db2.gz LMRTUCBLPGWAJI-QGZVFWFLSA-N 0 1 400.460 3.614 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)[nH]c2c1 ZINC000061228370 966402526 /nfs/dbraw/zinc/40/25/26/966402526.db2.gz DZOOQJPJNIOJDC-FQEVSTJZSA-N 0 1 416.441 3.943 20 5 HHBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000036332442 966430829 /nfs/dbraw/zinc/43/08/29/966430829.db2.gz IDTXTXHBHKDJTN-IBGZPJMESA-N 0 1 414.531 3.823 20 5 HHBDMN COc1cccc([C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)c1 ZINC000036701064 966442782 /nfs/dbraw/zinc/44/27/82/966442782.db2.gz RKQIVXYLSVIUHY-IBGZPJMESA-N 0 1 403.866 3.824 20 5 HHBDMN Cc1cccc(N2CCN(Cc3ccc(NC(=O)c4cc([N+](=O)[O-])c[nH]4)cc3)CC2)c1 ZINC000042076016 966707840 /nfs/dbraw/zinc/70/78/40/966707840.db2.gz OPBDDPABVZHXBV-UHFFFAOYSA-N 0 1 419.485 3.806 20 5 HHBDMN C[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000063273860 966799397 /nfs/dbraw/zinc/79/93/97/966799397.db2.gz TVEXAYRCPLOROV-HNNXBMFYSA-N 0 1 417.487 3.658 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(F)cc1 ZINC000065110892 967381953 /nfs/dbraw/zinc/38/19/53/967381953.db2.gz LYMXBKXFPXHCHR-SFHVURJKSA-N 0 1 414.462 3.890 20 5 HHBDMN C[C@@H](NCC(=O)NCc1cccc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000538175356 1013734078 /nfs/dbraw/zinc/73/40/78/1013734078.db2.gz BXLKWIWUFPAMQX-CYBMUJFWSA-N 0 1 411.380 3.503 20 5 HHBDMN COCCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000542930704 1013765800 /nfs/dbraw/zinc/76/58/00/1013765800.db2.gz TUVUYTDPEIQRAF-UHFFFAOYSA-N 0 1 404.366 3.603 20 5 HHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-n2ccnn2)cc1 ZINC000538231713 1013780699 /nfs/dbraw/zinc/78/06/99/1013780699.db2.gz VCUUXWFKHUMIMW-OLZOCXBDSA-N 0 1 414.853 3.507 20 5 HHBDMN CCN([C@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000108708724 969413048 /nfs/dbraw/zinc/41/30/48/969413048.db2.gz IOHFFUPGCCZRBX-HKUYNNGSSA-N 0 1 417.531 3.749 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(SC(=O)N(C)C)cc2)c1C ZINC000110906575 969739208 /nfs/dbraw/zinc/73/92/08/969739208.db2.gz RWUBEFLJEFUJJT-UHFFFAOYSA-N 0 1 409.489 3.786 20 5 HHBDMN Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000195692267 969961804 /nfs/dbraw/zinc/96/18/04/969961804.db2.gz XTWFKNJKMAIARQ-UHFFFAOYSA-N 0 1 422.407 3.926 20 5 HHBDMN COc1cc(CN[C@@H]2c3ccccc3C[C@@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237425147 970283313 /nfs/dbraw/zinc/28/33/13/970283313.db2.gz GQMLTAMNTZQQQP-XUZZJYLKSA-N 0 1 420.465 3.930 20 5 HHBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000147379091 970326324 /nfs/dbraw/zinc/32/63/24/970326324.db2.gz KWWXMFGSIWWHMX-UHFFFAOYSA-N 0 1 411.487 3.581 20 5 HHBDMN O=[N+]([O-])c1ccc(CCNCc2c(Br)cncc2Br)cc1 ZINC000394613921 972867653 /nfs/dbraw/zinc/86/76/53/972867653.db2.gz IGBQUOVIOFKOSG-UHFFFAOYSA-N 0 1 415.085 3.847 20 5 HHBDMN Cc1[nH]nc(C(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000410109858 973588047 /nfs/dbraw/zinc/58/80/47/973588047.db2.gz RDJOUZISROOWRD-UHFFFAOYSA-N 0 1 400.332 3.746 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OCC)c(OCC)c1 ZINC000410410807 974009150 /nfs/dbraw/zinc/00/91/50/974009150.db2.gz YWXYASUEXNWAJV-UHFFFAOYSA-N 0 1 410.448 3.592 20 5 HHBDMN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1F)OCCO2 ZINC000410421128 974018677 /nfs/dbraw/zinc/01/86/77/974018677.db2.gz IQWZKLXFIJVPFQ-UHFFFAOYSA-N 0 1 423.205 3.613 20 5 HHBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)n1 ZINC000427357291 975075480 /nfs/dbraw/zinc/07/54/80/975075480.db2.gz ATASEZNAQVFLNY-UHFFFAOYSA-N 0 1 418.282 3.594 20 5 HHBDMN Cc1nc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)cc2s1 ZINC000427764595 975276117 /nfs/dbraw/zinc/27/61/17/975276117.db2.gz LPNPMIMBKGRUHN-UHFFFAOYSA-N 0 1 400.441 3.862 20 5 HHBDMN Cc1cc2c(cc1C)[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCS2 ZINC000427877402 975330978 /nfs/dbraw/zinc/33/09/78/975330978.db2.gz OCTKDABXKJEKLK-GOSISDBHSA-N 0 1 406.529 3.812 20 5 HHBDMN Cc1[nH]nc(C(=O)N2CCC(c3ccc(Br)c(C)c3)CC2)c1[N+](=O)[O-] ZINC000428775403 976048334 /nfs/dbraw/zinc/04/83/34/976048334.db2.gz XEGQBKLDHVBGHG-UHFFFAOYSA-N 0 1 407.268 3.717 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000430210902 977394748 /nfs/dbraw/zinc/39/47/48/977394748.db2.gz WAZUONSDAJIZDJ-UHFFFAOYSA-N 0 1 415.465 3.579 20 5 HHBDMN CN(C(=O)[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1)c1ccccc1 ZINC000430307889 977466758 /nfs/dbraw/zinc/46/67/58/977466758.db2.gz ZAUXXWIWFRMKTD-QGZVFWFLSA-N 0 1 406.442 3.735 20 5 HHBDMN C[C@H]1CC[C@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000430443741 977554687 /nfs/dbraw/zinc/55/46/87/977554687.db2.gz DQEYGAJSJLILKG-YOEHRIQHSA-N 0 1 417.487 3.656 20 5 HHBDMN Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000431029523 977964690 /nfs/dbraw/zinc/96/46/90/977964690.db2.gz DRFMZCDIUQUCTN-INIZCTEOSA-N 0 1 422.279 3.826 20 5 HHBDMN COc1cc(CNc2nnc([C@H]3CCCc4ccccc43)s2)cc([N+](=O)[O-])c1O ZINC000432403096 978797687 /nfs/dbraw/zinc/79/76/87/978797687.db2.gz ATBMWSCVVROECE-HNNXBMFYSA-N 0 1 412.471 4.241 20 5 HHBDMN COc1cc(CNc2nnc([C@@H]3CCCc4ccccc43)s2)cc([N+](=O)[O-])c1O ZINC000432403113 978797716 /nfs/dbraw/zinc/79/77/16/978797716.db2.gz ATBMWSCVVROECE-OAHLLOKOSA-N 0 1 412.471 4.241 20 5 HHBDMN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nc(-c4ccncc4)n[nH]3)cc2[N+](=O)[O-])C1 ZINC000433109867 979077321 /nfs/dbraw/zinc/07/73/21/979077321.db2.gz MCFDTCJCEQNBEC-ZIAGYGMSSA-N 0 1 421.461 3.510 20 5 HHBDMN COc1ccc(CN2CC[C@H](N[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000433279284 979212713 /nfs/dbraw/zinc/21/27/13/979212713.db2.gz QDPAPSKGYRQYIN-SFTDATJTSA-N 0 1 409.486 3.717 20 5 HHBDMN O=C(CN[C@H](c1ccccc1)C1(CO)CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000433317417 979232026 /nfs/dbraw/zinc/23/20/26/979232026.db2.gz KYFVKPPWEVPWKN-LJQANCHMSA-N 0 1 403.866 3.680 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000434021808 979764438 /nfs/dbraw/zinc/76/44/38/979764438.db2.gz MSNXBPPNADFDEP-ZDUSSCGKSA-N 0 1 412.368 3.674 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1[N+](=O)[O-] ZINC000434181048 979946334 /nfs/dbraw/zinc/94/63/34/979946334.db2.gz DDLGTYAAGRJZNP-AWEZNQCLSA-N 0 1 410.434 3.859 20 5 HHBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434184407 979949750 /nfs/dbraw/zinc/94/97/50/979949750.db2.gz SQOBJLFUKSXXAQ-UHFFFAOYSA-N 0 1 403.508 3.551 20 5 HHBDMN CCCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000434190880 979956432 /nfs/dbraw/zinc/95/64/32/979956432.db2.gz KNFFUAZZHVYOLL-GOSISDBHSA-N 0 1 413.522 3.958 20 5 HHBDMN Cc1nc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)ccc1[N+](=O)[O-] ZINC000435805573 981038343 /nfs/dbraw/zinc/03/83/43/981038343.db2.gz CMZDZDRDXGCWQW-UHFFFAOYSA-N 0 1 407.474 3.658 20 5 HHBDMN C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@@H](C)C1 ZINC000436103160 981201429 /nfs/dbraw/zinc/20/14/29/981201429.db2.gz UAVWWJZQHGLZNI-ZIAGYGMSSA-N 0 1 413.468 3.810 20 5 HHBDMN C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC(C)CC1 ZINC000436313199 981293046 /nfs/dbraw/zinc/29/30/46/981293046.db2.gz CAEYBQJIFYWXGP-CQSZACIVSA-N 0 1 413.468 3.810 20 5 HHBDMN O=C(c1cc(Cl)c2ccccc2c1O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000436816641 981574019 /nfs/dbraw/zinc/57/40/19/981574019.db2.gz TVCAEYNGQFXSQC-UHFFFAOYSA-N 0 1 400.822 3.781 20 5 HHBDMN COc1cc(C=Cc2nc(=O)c3cc(Br)sc3[nH]2)cc([N+](=O)[O-])c1O ZINC000436818013 981575166 /nfs/dbraw/zinc/57/51/66/981575166.db2.gz TXLJWBUVBDGLOF-NSCUHMNNSA-N 0 1 424.232 3.952 20 5 HHBDMN CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C ZINC000460191092 981964976 /nfs/dbraw/zinc/96/49/76/981964976.db2.gz GGXBBJNHXNKWOD-QGZVFWFLSA-N 0 1 406.490 3.584 20 5 HHBDMN O=[N+]([O-])c1cccc(N2CCN(Cc3nc4ccc(Br)cc4[nH]3)CC2)c1 ZINC000460383466 982161644 /nfs/dbraw/zinc/16/16/44/982161644.db2.gz DUVXLTCINLQLSB-UHFFFAOYSA-N 0 1 416.279 3.556 20 5 HHBDMN O=C(CCN1CCc2ccc([N+](=O)[O-])cc2C1)Nc1cccc(Br)c1 ZINC000438524069 982862084 /nfs/dbraw/zinc/86/20/84/982862084.db2.gz PAKCVWJEYAYSRS-UHFFFAOYSA-N 0 1 404.264 3.744 20 5 HHBDMN Cc1[nH]c(SCC(=O)NCCc2ccccc2[N+](=O)[O-])nc1Cc1ccccc1 ZINC000461262409 982968009 /nfs/dbraw/zinc/96/80/09/982968009.db2.gz YZTWCNUXDKEFCJ-UHFFFAOYSA-N 0 1 410.499 3.668 20 5 HHBDMN Cc1ccc([C@H](C)NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000438864890 983129659 /nfs/dbraw/zinc/12/96/59/983129659.db2.gz LEBKQQYYWGHZEF-DLBZAZTESA-N 0 1 411.506 3.884 20 5 HHBDMN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000439014667 983210930 /nfs/dbraw/zinc/21/09/30/983210930.db2.gz ITNVLQZZHAQONU-OAOYMFHYSA-N 0 1 400.479 3.796 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439319245 983363020 /nfs/dbraw/zinc/36/30/20/983363020.db2.gz RWXSGFUYZCGGTF-QGZVFWFLSA-N 0 1 408.857 3.949 20 5 HHBDMN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cnn1CCC(C)C ZINC000440819100 983920731 /nfs/dbraw/zinc/92/07/31/983920731.db2.gz BRPKNKHDBXYQFW-UHFFFAOYSA-N 0 1 420.413 3.965 20 5 HHBDMN Cc1ccc([C@H](Cn2ccnc2)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441378730 984219321 /nfs/dbraw/zinc/21/93/21/984219321.db2.gz OINYGMZPOIAEMM-PXNSSMCTSA-N 0 1 407.474 3.766 20 5 HHBDMN Cc1cc(NCc2ccc(N3CCN(C)CC3)nc2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461735042 984748816 /nfs/dbraw/zinc/74/88/16/984748816.db2.gz VGJWWQWJCXYDLM-UHFFFAOYSA-N 0 1 409.412 3.681 20 5 HHBDMN CCOc1ccccc1CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462154570 985127613 /nfs/dbraw/zinc/12/76/13/985127613.db2.gz GBIVAIOOEVQCGR-UHFFFAOYSA-N 0 1 419.286 3.821 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cc(F)cc(F)c1Br ZINC000442849631 985246003 /nfs/dbraw/zinc/24/60/03/985246003.db2.gz UNPIIKBXDOJKTR-UHFFFAOYSA-N 0 1 411.155 3.575 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000462311771 985298830 /nfs/dbraw/zinc/29/88/30/985298830.db2.gz GGJQWDUJLQOVGB-KXBFYZLASA-N 0 1 423.560 3.580 20 5 HHBDMN CCO[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000462321538 985310588 /nfs/dbraw/zinc/31/05/88/985310588.db2.gz NLKOJMILYMDKLR-STQMWFEESA-N 0 1 409.291 3.528 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCc1ccc(O)cc1 ZINC000443270758 985464644 /nfs/dbraw/zinc/46/46/44/985464644.db2.gz NURVPVCSAJLWCW-UHFFFAOYSA-N 0 1 405.259 3.518 20 5 HHBDMN CN(CCc1cccc(Br)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000462828912 985751178 /nfs/dbraw/zinc/75/11/78/985751178.db2.gz SPOLTOFWCXYKLQ-UHFFFAOYSA-N 0 1 407.264 3.898 20 5 HHBDMN C[C@H](CN1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000462860211 985785821 /nfs/dbraw/zinc/78/58/21/985785821.db2.gz FMRFPSIENCNSTP-OAHLLOKOSA-N 0 1 406.433 3.819 20 5 HHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443796368 985996815 /nfs/dbraw/zinc/99/68/15/985996815.db2.gz APZIRRVJFPDEGV-UHFFFAOYSA-N 0 1 422.407 3.926 20 5 HHBDMN CCc1[nH]nc(C(=O)N(Cc2cc(Br)ccc2F)C2CC2)c1[N+](=O)[O-] ZINC000443952163 986159777 /nfs/dbraw/zinc/15/97/77/986159777.db2.gz MARZYPOCLFFGQX-UHFFFAOYSA-N 0 1 411.231 3.587 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000468498692 986200175 /nfs/dbraw/zinc/20/01/75/986200175.db2.gz QDWUATNQVRGQRS-INIZCTEOSA-N 0 1 407.352 3.620 20 5 HHBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444110260 986310019 /nfs/dbraw/zinc/31/00/19/986310019.db2.gz FNXVRCOVLCBRCH-UHFFFAOYSA-N 0 1 404.376 3.766 20 5 HHBDMN COc1cccc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000444261974 986458970 /nfs/dbraw/zinc/45/89/70/986458970.db2.gz HWZDSUVWDGFJDB-OAHLLOKOSA-N 0 1 423.391 3.627 20 5 HHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000468826160 986535410 /nfs/dbraw/zinc/53/54/10/986535410.db2.gz DPVOHJKNQKSFDI-NWDGAFQWSA-N 0 1 403.320 3.539 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)cc2)C[C@@H](C)O1 ZINC000445476667 987540760 /nfs/dbraw/zinc/54/07/60/987540760.db2.gz GSJZKXFQLOGTDK-CHWSQXEVSA-N 0 1 400.460 3.983 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000470145527 988052660 /nfs/dbraw/zinc/05/26/60/988052660.db2.gz WBDPKQKOTHROME-HUUCEWRRSA-N 0 1 416.453 3.665 20 5 HHBDMN COC(=O)[C@](C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccccc1 ZINC000470150819 988059531 /nfs/dbraw/zinc/05/95/31/988059531.db2.gz YHRPORUHHRWJEI-OAQYLSRUSA-N 0 1 411.483 3.939 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000464024584 988136581 /nfs/dbraw/zinc/13/65/81/988136581.db2.gz PJHHCVMHYKEIJQ-GOSISDBHSA-N 0 1 421.457 3.699 20 5 HHBDMN CN(C)[C@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000470273823 988226597 /nfs/dbraw/zinc/22/65/97/988226597.db2.gz HXIYKSZRLYZLRP-GOSISDBHSA-N 0 1 424.423 3.758 20 5 HHBDMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000464185937 988307545 /nfs/dbraw/zinc/30/75/45/988307545.db2.gz WPHQXLFXIBBNRA-UHFFFAOYSA-N 0 1 408.336 3.786 20 5 HHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000470578024 988592786 /nfs/dbraw/zinc/59/27/86/988592786.db2.gz ZSWPJPWDFYBURF-UHFFFAOYSA-N 0 1 400.385 3.844 20 5 HHBDMN CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000464772277 988996075 /nfs/dbraw/zinc/99/60/75/988996075.db2.gz IVDGXWGBUXOMSH-DGCLKSJQSA-N 0 1 416.341 3.902 20 5 HHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3nc(N(C)C)oc3c2)cc1[N+](=O)[O-] ZINC000464896512 989165984 /nfs/dbraw/zinc/16/59/84/989165984.db2.gz UEFJHJNOTDHDTE-UHFFFAOYSA-N 0 1 410.839 3.565 20 5 HHBDMN O=C(COc1c(Cl)cccc1[N+](=O)[O-])Nc1cccc(CN2CCSCC2)c1 ZINC000471296290 989456524 /nfs/dbraw/zinc/45/65/24/989456524.db2.gz OPDZLKZHBDXPDX-UHFFFAOYSA-N 0 1 421.906 3.815 20 5 HHBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(COc2ccccc2)[n-]1 ZINC000471607989 989812362 /nfs/dbraw/zinc/81/23/62/989812362.db2.gz ANELRDQYLSDWGR-QFBILLFUSA-N 0 1 407.474 3.793 20 5 HHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000466450357 991740717 /nfs/dbraw/zinc/74/07/17/991740717.db2.gz UNPINNMARMILMW-AWEZNQCLSA-N 0 1 424.314 3.782 20 5 HHBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)CC[C@@H]1CCCO1 ZINC000467150933 992467964 /nfs/dbraw/zinc/46/79/64/992467964.db2.gz XTDNHUIVQOSLBD-BBRMVZONSA-N 0 1 404.492 3.546 20 5 HHBDMN COc1ccc(Oc2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)cc1 ZINC000467764750 993008088 /nfs/dbraw/zinc/00/80/88/993008088.db2.gz AQTRCOMCPKXQHZ-UHFFFAOYSA-N 0 1 416.411 3.902 20 5 HHBDMN C[C@@H](NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467840949 993072703 /nfs/dbraw/zinc/07/27/03/993072703.db2.gz SSFOYALDHOSFAO-DLBZAZTESA-N 0 1 417.531 3.866 20 5 HHBDMN COc1ccc(CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1Cl ZINC000481172515 994002910 /nfs/dbraw/zinc/00/29/10/994002910.db2.gz MMQFPLGCCKIHKS-UHFFFAOYSA-N 0 1 415.881 3.845 20 5 HHBDMN CO[C@H](c1ccccc1Cl)[C@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000481445136 994281918 /nfs/dbraw/zinc/28/19/18/994281918.db2.gz QJOUOFWPKQDKFA-RBZFPXEDSA-N 0 1 403.866 3.503 20 5 HHBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000481516441 994346463 /nfs/dbraw/zinc/34/64/63/994346463.db2.gz NBVIVDNLHYWCKV-XUWXXGDYSA-N 0 1 418.519 3.528 20 5 HHBDMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000481866101 994726621 /nfs/dbraw/zinc/72/66/21/994726621.db2.gz MCZLBQCCQIUJFK-IEBWSBKVSA-N 0 1 415.515 3.517 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CCN2C2CC2)c1 ZINC000482077528 995013997 /nfs/dbraw/zinc/01/39/97/995013997.db2.gz FRNUHDCIYMGVKN-SIKLNZKXSA-N 0 1 420.469 3.793 20 5 HHBDMN COC(=O)COc1ccc(CN[C@H]2CCSc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000474348484 995328104 /nfs/dbraw/zinc/32/81/04/995328104.db2.gz MPCNGYNQNKECSW-HNNXBMFYSA-N 0 1 406.435 3.612 20 5 HHBDMN CN(C)Cc1ccnc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000482369254 995351396 /nfs/dbraw/zinc/35/13/96/995351396.db2.gz QUJCHMPHZLKBMQ-UHFFFAOYSA-N 0 1 411.384 3.511 20 5 HHBDMN CN(Cc1ccc(F)cc1Br)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000482768857 995736002 /nfs/dbraw/zinc/73/60/02/995736002.db2.gz HDQDZTAXXIEPRI-UHFFFAOYSA-N 0 1 407.199 3.645 20 5 HHBDMN COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)cc1 ZINC000475309246 996060423 /nfs/dbraw/zinc/06/04/23/996060423.db2.gz VMOCFTNDGQJGHM-UHFFFAOYSA-N 0 1 407.382 3.814 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000475797881 996377397 /nfs/dbraw/zinc/37/73/97/996377397.db2.gz MQYKGQJZWYPEKC-UHFFFAOYSA-N 0 1 407.345 3.817 20 5 HHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000484111524 996576598 /nfs/dbraw/zinc/57/65/98/996576598.db2.gz LRKXZYKTCFWVQO-UHFFFAOYSA-N 0 1 414.531 3.707 20 5 HHBDMN CN1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000476439825 996911595 /nfs/dbraw/zinc/91/15/95/996911595.db2.gz VILKSRMKXVZMRD-UHFFFAOYSA-N 0 1 409.895 3.538 20 5 HHBDMN C[C@@H](Nc1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-])c1ccccn1 ZINC000484776833 997123905 /nfs/dbraw/zinc/12/39/05/997123905.db2.gz QPPMLCXZFOBDKC-FZKQIMNGSA-N 0 1 406.446 3.693 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)[nH]c2c1 ZINC000484789232 997138448 /nfs/dbraw/zinc/13/84/48/997138448.db2.gz KCIBHHOSRSPJJL-FQEVSTJZSA-N 0 1 416.441 3.943 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1SC ZINC000484935806 997311921 /nfs/dbraw/zinc/31/19/21/997311921.db2.gz OZOUTSFIKBZIJQ-UHFFFAOYSA-N 0 1 415.515 3.673 20 5 HHBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485081175 997452166 /nfs/dbraw/zinc/45/21/66/997452166.db2.gz UYCUTKGRAQKCHH-AWEZNQCLSA-N 0 1 411.430 3.825 20 5 HHBDMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000485134649 997519727 /nfs/dbraw/zinc/51/97/27/997519727.db2.gz QAOQSVALTSZQQD-UHFFFAOYSA-N 0 1 416.353 3.632 20 5 HHBDMN CN1CCN(c2ncccc2CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485394156 997822687 /nfs/dbraw/zinc/82/26/87/997822687.db2.gz UDBNNERNPUXNIZ-UHFFFAOYSA-N 0 1 422.464 3.555 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000477248653 997922469 /nfs/dbraw/zinc/92/24/69/997922469.db2.gz LLIUBDLZAIOPAL-AWEZNQCLSA-N 0 1 416.377 3.691 20 5 HHBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000485699341 998162635 /nfs/dbraw/zinc/16/26/35/998162635.db2.gz HBECFWZTUDUONP-LLVKDONJSA-N 0 1 406.414 3.719 20 5 HHBDMN O=C(CNC1(c2cccc(C(F)(F)F)c2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000477460116 998171129 /nfs/dbraw/zinc/17/11/29/998171129.db2.gz RAWDWRLSPOPCLE-UHFFFAOYSA-N 0 1 405.376 3.782 20 5 HHBDMN O=C(CNC1(c2ccc(Br)cc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000477463680 998176707 /nfs/dbraw/zinc/17/67/07/998176707.db2.gz JUQYGOMZLGQULZ-UHFFFAOYSA-N 0 1 416.275 3.525 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc2ncsc2c1 ZINC000485815558 998283408 /nfs/dbraw/zinc/28/34/08/998283408.db2.gz CQWBBFCDFHMDPG-NEPJUHHUSA-N 0 1 400.460 3.891 20 5 HHBDMN Cn1cnc([N+](=O)[O-])c1CNC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000477633121 998349873 /nfs/dbraw/zinc/34/98/73/998349873.db2.gz PQEMYMUBYFQKHP-UHFFFAOYSA-N 0 1 422.485 3.703 20 5 HHBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000485942618 998386619 /nfs/dbraw/zinc/38/66/19/998386619.db2.gz GCCWZGOXPJLBPY-HNNXBMFYSA-N 0 1 414.893 3.827 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC000486064003 998512240 /nfs/dbraw/zinc/51/22/40/998512240.db2.gz AXLYLVRHFGKSGE-UHFFFAOYSA-N 0 1 410.496 3.770 20 5 HHBDMN COc1cc(CNCc2ccnc3ccnn32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000478353591 998911015 /nfs/dbraw/zinc/91/10/15/998911015.db2.gz OJKSFRBLHDVHNS-UHFFFAOYSA-N 0 1 419.441 3.515 20 5 HHBDMN COc1cc(CN2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c([N+](=O)[O-])cc1F ZINC000486850662 998972918 /nfs/dbraw/zinc/97/29/18/998972918.db2.gz PSURAVKYUAFHBU-QVKFZJNVSA-N 0 1 416.453 3.632 20 5 HHBDMN CC[C@H](C)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000478683196 999086892 /nfs/dbraw/zinc/08/68/92/999086892.db2.gz BSZXPHFLVRIYPS-VIFPVBQESA-N 0 1 404.370 3.718 20 5 HHBDMN COc1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1C ZINC000478739794 999116672 /nfs/dbraw/zinc/11/66/72/999116672.db2.gz QKUVOYDYYBOKMS-UHFFFAOYSA-N 0 1 417.893 3.960 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000487729999 999268700 /nfs/dbraw/zinc/26/87/00/999268700.db2.gz NFBNYHYYKLZBFR-KRWDZBQOSA-N 0 1 411.506 3.928 20 5 HHBDMN CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000479370072 999407625 /nfs/dbraw/zinc/40/76/25/999407625.db2.gz GDKANLQDHRJLFU-UHFFFAOYSA-N 0 1 421.505 3.580 20 5 HHBDMN O=C(NC1CCN(Cc2cccnc2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000479605625 999497513 /nfs/dbraw/zinc/49/75/13/999497513.db2.gz IQSCOTYJPUJCMK-UHFFFAOYSA-N 0 1 423.498 3.508 20 5 HHBDMN Cc1ccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)cc1 ZINC000488731730 999591811 /nfs/dbraw/zinc/59/18/11/999591811.db2.gz VINJRYYLHCDKOB-SFHVURJKSA-N 0 1 423.922 3.672 20 5 HHBDMN Cc1cc(NC[C@H](C)N2CCc3sccc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489183121 999717787 /nfs/dbraw/zinc/71/77/87/999717787.db2.gz GQGOUXGANPTXNM-HNNXBMFYSA-N 0 1 409.515 3.702 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)N(C)C)c1 ZINC000489870847 999852109 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HJRQRUAIKGJHOH-UHFFFAOYSA-N 0 1 406.171 3.534 20 5 HHBDMN O=C(N[C@H](c1cccc(F)c1)c1cccc(Br)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000490568722 999978676 /nfs/dbraw/zinc/97/86/76/999978676.db2.gz QXDFBLHTDRPPCI-HNNXBMFYSA-N 0 1 419.210 3.739 20 5 HHBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000491893380 1000099599 /nfs/dbraw/zinc/09/95/99/1000099599.db2.gz UXOCJQXZCAUGIS-UHFFFAOYSA-N 0 1 411.487 3.581 20 5 HHBDMN CCOc1cc(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000492694876 1000139231 /nfs/dbraw/zinc/13/92/31/1000139231.db2.gz GMXFAAYCVUTZLI-UHFFFAOYSA-N 0 1 401.438 3.983 20 5 HHBDMN O=C(NCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000494058600 1000287847 /nfs/dbraw/zinc/28/78/47/1000287847.db2.gz YZDMMXMAXKIGBX-OAQYLSRUSA-N 0 1 411.408 3.982 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494445678 1000495979 /nfs/dbraw/zinc/49/59/79/1000495979.db2.gz KCRZSVYNZIUHCM-UVIMBBFXSA-N 0 1 419.865 3.704 20 5 HHBDMN C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000494477917 1000513706 /nfs/dbraw/zinc/51/37/06/1000513706.db2.gz YIGVQWSHVONUFV-NSHDSACASA-N 0 1 417.409 3.836 20 5 HHBDMN C[C@H](N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494479778 1000514851 /nfs/dbraw/zinc/51/48/51/1000514851.db2.gz YYGHQTOTRHAOSK-PBQZTSCYSA-N 0 1 407.829 3.834 20 5 HHBDMN O=C(CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494498485 1000525445 /nfs/dbraw/zinc/52/54/45/1000525445.db2.gz WIJWJYKEZLACLG-MAUKXSAKSA-N 0 1 410.257 3.960 20 5 HHBDMN C[C@H](N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494500536 1000526444 /nfs/dbraw/zinc/52/64/44/1000526444.db2.gz AIHQKRFMMZSKLL-NBHSMZAVSA-N 0 1 407.829 3.834 20 5 HHBDMN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccn(-c4ccncc4)n3)cc2[N+](=O)[O-])C1 ZINC000505117202 1000558962 /nfs/dbraw/zinc/55/89/62/1000558962.db2.gz AJEZNFSOADAUPC-HOTGVXAUSA-N 0 1 420.473 3.910 20 5 HHBDMN CC(C)(C)C1=CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000505862918 1001067486 /nfs/dbraw/zinc/06/74/86/1001067486.db2.gz QCEQQNAWXJQUGV-UHFFFAOYSA-N 0 1 424.339 3.694 20 5 HHBDMN C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H]3CN(C)C[C@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000497404407 1001341649 /nfs/dbraw/zinc/34/16/49/1001341649.db2.gz WFVYIBIGBRAOLX-JRGCBEDISA-N 0 1 422.529 3.659 20 5 HHBDMN C[C@@H]1CCCN(c2ccc(C(=O)N[C@H]3CN(C)C[C@H]3c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000497404408 1001342027 /nfs/dbraw/zinc/34/20/27/1001342027.db2.gz WFVYIBIGBRAOLX-QMMLZNLJSA-N 0 1 422.529 3.659 20 5 HHBDMN Cn1cc(CN2CCN(c3ccc(Cl)cc3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506450770 1001418619 /nfs/dbraw/zinc/41/86/19/1001418619.db2.gz HUOHFACVAXWPNJ-UHFFFAOYSA-N 0 1 411.893 3.971 20 5 HHBDMN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000506473856 1001428863 /nfs/dbraw/zinc/42/88/63/1001428863.db2.gz JSICFSFQNGPOQA-UHFFFAOYSA-N 0 1 421.812 3.584 20 5 HHBDMN O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1F)c1n[nH]cc1[N+](=O)[O-] ZINC000497656776 1001474825 /nfs/dbraw/zinc/47/48/25/1001474825.db2.gz XUSZBRRHGMMEJJ-OAHLLOKOSA-N 0 1 419.210 3.739 20 5 HHBDMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000497734225 1001499098 /nfs/dbraw/zinc/49/90/98/1001499098.db2.gz NPCTZDUOVPYWOC-INIZCTEOSA-N 0 1 414.481 3.675 20 5 HHBDMN COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)N2CCCC2)c1 ZINC000497765191 1001508367 /nfs/dbraw/zinc/50/83/67/1001508367.db2.gz ZWKILRTVZRBHII-NRFANRHFSA-N 0 1 420.469 3.719 20 5 HHBDMN CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000497983592 1001590419 /nfs/dbraw/zinc/59/04/19/1001590419.db2.gz NZCRITFBQJAOEL-IEBWSBKVSA-N 0 1 417.531 3.749 20 5 HHBDMN CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000497990369 1001593591 /nfs/dbraw/zinc/59/35/91/1001593591.db2.gz PCISXVMZPROQPU-VQIMIIECSA-N 0 1 405.401 3.532 20 5 HHBDMN CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000497990369 1001593596 /nfs/dbraw/zinc/59/35/96/1001593596.db2.gz PCISXVMZPROQPU-VQIMIIECSA-N 0 1 405.401 3.532 20 5 HHBDMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498183732 1001678127 /nfs/dbraw/zinc/67/81/27/1001678127.db2.gz UGDNOCOOPJLTCH-HNNXBMFYSA-N 0 1 419.428 3.933 20 5 HHBDMN C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507083949 1001797336 /nfs/dbraw/zinc/79/73/36/1001797336.db2.gz IVWNDCBMCOWTNJ-GTNSWQLSSA-N 0 1 421.247 3.665 20 5 HHBDMN COc1ccc(-c2ccc(CN3CCC(NC(=O)C(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000507168464 1001855929 /nfs/dbraw/zinc/85/59/29/1001855929.db2.gz QMOVMVGBNOOBMC-UHFFFAOYSA-N 0 1 401.463 3.600 20 5 HHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498896696 1002286335 /nfs/dbraw/zinc/28/63/35/1002286335.db2.gz BSPIXWXAINQOGT-ZDUSSCGKSA-N 0 1 401.492 3.722 20 5 HHBDMN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000499154574 1002538278 /nfs/dbraw/zinc/53/82/78/1002538278.db2.gz JANZBLZTQBKYGU-UHFFFAOYSA-N 0 1 418.393 3.997 20 5 HHBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000500008834 1003332446 /nfs/dbraw/zinc/33/24/46/1003332446.db2.gz VOIPKNQYDMTQRK-UHFFFAOYSA-N 0 1 417.429 3.581 20 5 HHBDMN O=[N+]([O-])c1ccn(CCN2CCC(F)(c3ccccc3OC(F)(F)F)CC2)n1 ZINC000500135825 1003495549 /nfs/dbraw/zinc/49/55/49/1003495549.db2.gz VDEDFSHCJHVPTL-UHFFFAOYSA-N 0 1 402.348 3.651 20 5 HHBDMN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000500398619 1003692778 /nfs/dbraw/zinc/69/27/78/1003692778.db2.gz ZSJMCZXXEFNQLH-IBGZPJMESA-N 0 1 409.442 3.917 20 5 HHBDMN COc1cc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)ccc1[N+](=O)[O-] ZINC000511823788 1003793866 /nfs/dbraw/zinc/79/38/66/1003793866.db2.gz HJQOBIPEVPVCEA-INIZCTEOSA-N 0 1 423.391 3.627 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511828776 1003799266 /nfs/dbraw/zinc/79/92/66/1003799266.db2.gz UBAMZZYNCPIHNF-MRXNPFEDSA-N 0 1 407.392 3.926 20 5 HHBDMN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(-c2nnc[nH]2)c1 ZINC000512019243 1003957743 /nfs/dbraw/zinc/95/77/43/1003957743.db2.gz WYLJINFMGATXJV-UHFFFAOYSA-N 0 1 420.351 3.839 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000509684489 1004028348 /nfs/dbraw/zinc/02/83/48/1004028348.db2.gz WOBMSXCUSDUSOX-MFKMUULPSA-N 0 1 404.341 3.587 20 5 HHBDMN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000512195397 1004096799 /nfs/dbraw/zinc/09/67/99/1004096799.db2.gz MYVIPUCVQYKLLI-CQSZACIVSA-N 0 1 415.471 3.695 20 5 HHBDMN CCN([C@@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000509788615 1004097912 /nfs/dbraw/zinc/09/79/12/1004097912.db2.gz KDTCQPHXOAKNDG-PKOBYXMFSA-N 0 1 417.531 3.749 20 5 HHBDMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000512297000 1004200289 /nfs/dbraw/zinc/20/02/89/1004200289.db2.gz YHGVQJPFNNMSMU-CQSZACIVSA-N 0 1 418.444 3.506 20 5 HHBDMN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(OC)c1 ZINC000510192570 1004387248 /nfs/dbraw/zinc/38/72/48/1004387248.db2.gz NLZUOGCSCZUKSG-OAHLLOKOSA-N 0 1 407.854 3.945 20 5 HHBDMN O=C([C@@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N1CCSCC1 ZINC000512669558 1004478841 /nfs/dbraw/zinc/47/88/41/1004478841.db2.gz VIWVXOUEIJVGDH-SFHVURJKSA-N 0 1 417.556 3.863 20 5 HHBDMN CCOc1cc(NC(=O)NC[C@H](c2ccsc2)N(C)C)c([N+](=O)[O-])cc1OCC ZINC000501523350 1004489064 /nfs/dbraw/zinc/48/90/64/1004489064.db2.gz SKPXJFYODRUFLP-MRXNPFEDSA-N 0 1 422.507 3.878 20 5 HHBDMN CCOc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000513121104 1004818117 /nfs/dbraw/zinc/81/81/17/1004818117.db2.gz YLFPJOUWYKWCNE-HZPDHXFCSA-N 0 1 415.490 3.700 20 5 HHBDMN COc1ccc(OCCN2CCC[C@@H](Oc3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000513368611 1004929279 /nfs/dbraw/zinc/92/92/79/1004929279.db2.gz XSZCHZVXUPXPER-QGZVFWFLSA-N 0 1 402.447 3.534 20 5 HHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1ccccc1)N(CCO)CC1CC1 ZINC000510931121 1004940053 /nfs/dbraw/zinc/94/00/53/1004940053.db2.gz BWNQXLOFYRVKMJ-IBGZPJMESA-N 0 1 403.866 3.632 20 5 HHBDMN COc1ccc([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1Br ZINC000510954449 1004952037 /nfs/dbraw/zinc/95/20/37/1004952037.db2.gz UAVOWCXCNOQJCO-LBPRGKRZSA-N 0 1 422.279 3.964 20 5 HHBDMN Cc1nc([C@H]2CCCCN2C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC000513944336 1005197627 /nfs/dbraw/zinc/19/76/27/1005197627.db2.gz MRXHGLCJTIGHOI-KBXCAEBGSA-N 0 1 412.494 3.625 20 5 HHBDMN COc1cc(CSc2nc(-c3ccccn3)n[nH]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000502882890 1005257069 /nfs/dbraw/zinc/25/70/69/1005257069.db2.gz HZLIIMICGLFIIE-UHFFFAOYSA-N 0 1 423.401 3.720 20 5 HHBDMN O=C([C@H]1CCCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCOCC1 ZINC000514105248 1005267740 /nfs/dbraw/zinc/26/77/40/1005267740.db2.gz QARLEPFSXBNPKO-LJQANCHMSA-N 0 1 415.515 3.537 20 5 HHBDMN COc1ccc(NC(=O)CCN2CC[C@@](F)(c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000502939798 1005284256 /nfs/dbraw/zinc/28/42/56/1005284256.db2.gz NAAYSVDHCZMJIN-NRFANRHFSA-N 0 1 401.438 3.811 20 5 HHBDMN O=C(CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000511778319 1005322312 /nfs/dbraw/zinc/32/23/12/1005322312.db2.gz ZIHKJYOMCLRIFG-ZIFCJYIRSA-N 0 1 415.877 3.691 20 5 HHBDMN CCOC(=O)[C@H](C)[C@H](C)N[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000514248512 1005332794 /nfs/dbraw/zinc/33/27/94/1005332794.db2.gz RKHFDXQUQXMICB-GUXCAODWSA-N 0 1 413.474 3.760 20 5 HHBDMN COc1cc(COc2ccccc2-c2nnc[nH]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000503274767 1005381919 /nfs/dbraw/zinc/38/19/19/1005381919.db2.gz KPWDFJKNSCEVOY-UHFFFAOYSA-N 0 1 406.345 3.611 20 5 HHBDMN CCOc1ccc(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000503745573 1005488786 /nfs/dbraw/zinc/48/87/86/1005488786.db2.gz GXHDUTHXSMVXFP-MRXNPFEDSA-N 0 1 407.430 3.756 20 5 HHBDMN CCOc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000503745573 1005488788 /nfs/dbraw/zinc/48/87/88/1005488788.db2.gz GXHDUTHXSMVXFP-MRXNPFEDSA-N 0 1 407.430 3.756 20 5 HHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000503772898 1005491795 /nfs/dbraw/zinc/49/17/95/1005491795.db2.gz WECCOIWUUMEANB-KRWDZBQOSA-N 0 1 411.849 3.940 20 5 HHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000503772898 1005491798 /nfs/dbraw/zinc/49/17/98/1005491798.db2.gz WECCOIWUUMEANB-KRWDZBQOSA-N 0 1 411.849 3.940 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000534058812 1006030483 /nfs/dbraw/zinc/03/04/83/1006030483.db2.gz FVQCIFYHHQRXCO-UHFFFAOYSA-N 0 1 400.460 3.777 20 5 HHBDMN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cc2O)cc1OC ZINC000514820322 1006152066 /nfs/dbraw/zinc/15/20/66/1006152066.db2.gz LUBUXGIUOVMCHG-UHFFFAOYSA-N 0 1 411.208 3.723 20 5 HHBDMN Cc1ccc(Sc2ccc(CN[C@@H]3CS(=O)(=O)C[C@@H]3C)cc2[N+](=O)[O-])cc1 ZINC000515086967 1006279993 /nfs/dbraw/zinc/27/99/93/1006279993.db2.gz BVXAJLGUQYCPRC-WMLDXEAASA-N 0 1 406.529 3.577 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000515183828 1006328308 /nfs/dbraw/zinc/32/83/08/1006328308.db2.gz PAJORDDJNFSNSJ-UHFFFAOYSA-N 0 1 411.439 3.701 20 5 HHBDMN Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(Br)c1 ZINC000534386945 1006360261 /nfs/dbraw/zinc/36/02/61/1006360261.db2.gz IDKLDACDZBCZNS-UHFFFAOYSA-N 0 1 402.208 3.703 20 5 HHBDMN C[C@@H](C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000515493605 1006498944 /nfs/dbraw/zinc/49/89/44/1006498944.db2.gz SDYKJFSDFIMTFI-FGTMMUONSA-N 0 1 411.502 3.624 20 5 HHBDMN COc1cccc(OC(F)(F)F)c1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000515624129 1006563302 /nfs/dbraw/zinc/56/33/02/1006563302.db2.gz CSDBIZMMCAGFOQ-ZIAGYGMSSA-N 0 1 414.384 3.972 20 5 HHBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000534663640 1006640750 /nfs/dbraw/zinc/64/07/50/1006640750.db2.gz HQHVLDZTHCPDSJ-LJQANCHMSA-N 0 1 405.414 3.985 20 5 HHBDMN CN1CC[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1c1ccccc1 ZINC000534753620 1006748558 /nfs/dbraw/zinc/74/85/58/1006748558.db2.gz FWSVEFBWQBISHT-HKUYNNGSSA-N 0 1 408.483 3.894 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN([C@@H](C)C(=O)Nc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000534952166 1006996519 /nfs/dbraw/zinc/99/65/19/1006996519.db2.gz TVDWGBOERWDWHT-JKSUJKDBSA-N 0 1 407.474 3.986 20 5 HHBDMN CCOc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1OC(F)F ZINC000538735678 1007017593 /nfs/dbraw/zinc/01/75/93/1007017593.db2.gz UKXDQKYXVBRYFY-CQSZACIVSA-N 0 1 408.405 3.676 20 5 HHBDMN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000538736138 1007018135 /nfs/dbraw/zinc/01/81/35/1007018135.db2.gz BZXFSYJZJKULHG-KRWDZBQOSA-N 0 1 410.453 3.618 20 5 HHBDMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000538736304 1007018937 /nfs/dbraw/zinc/01/89/37/1007018937.db2.gz QNYBLAVCAMSYCZ-FQEVSTJZSA-N 0 1 420.517 3.846 20 5 HHBDMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000538736305 1007019317 /nfs/dbraw/zinc/01/93/17/1007019317.db2.gz QNYBLAVCAMSYCZ-HXUWFJFHSA-N 0 1 420.517 3.846 20 5 HHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000516341537 1007028410 /nfs/dbraw/zinc/02/84/10/1007028410.db2.gz CMXSUBHZLMHUKY-UHFFFAOYSA-N 0 1 423.922 3.713 20 5 HHBDMN COc1cc(CN2CCC[C@H]2Cn2c(C)nc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000538762392 1007047259 /nfs/dbraw/zinc/04/72/59/1007047259.db2.gz NQKPPVNLXQTNFZ-KRWDZBQOSA-N 0 1 410.474 3.935 20 5 HHBDMN COc1cccc(COc2cccc(Cl)c2CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000532865931 1007254129 /nfs/dbraw/zinc/25/41/29/1007254129.db2.gz AMMKVCBKYNLGKK-UHFFFAOYSA-N 0 1 416.865 3.822 20 5 HHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN(Cc1ccc(F)cc1F)C1CC1 ZINC000532919138 1007291773 /nfs/dbraw/zinc/29/17/73/1007291773.db2.gz PBDRCNCHFWHPOC-UHFFFAOYSA-N 0 1 403.385 3.836 20 5 HHBDMN CCC[C@@H](N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000539086501 1007375624 /nfs/dbraw/zinc/37/56/24/1007375624.db2.gz JGRFTSKKMZFHLC-RTWAWAEBSA-N 0 1 413.474 3.848 20 5 HHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000539219773 1007510311 /nfs/dbraw/zinc/51/03/11/1007510311.db2.gz QSHAJAYRDMHROF-NWDGAFQWSA-N 0 1 409.389 3.883 20 5 HHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000539219775 1007510626 /nfs/dbraw/zinc/51/06/26/1007510626.db2.gz QSHAJAYRDMHROF-VXGBXAGGSA-N 0 1 409.389 3.883 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)c1C ZINC000535508085 1007563647 /nfs/dbraw/zinc/56/36/47/1007563647.db2.gz MJAXWRQZUJVDER-UHFFFAOYSA-N 0 1 400.460 3.777 20 5 HHBDMN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000539276396 1007570551 /nfs/dbraw/zinc/57/05/51/1007570551.db2.gz LCGGENNOCKQQSQ-HNNXBMFYSA-N 0 1 405.838 3.699 20 5 HHBDMN C[C@@H](NCC(=O)N[C@@H](C)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539282192 1007577824 /nfs/dbraw/zinc/57/78/24/1007577824.db2.gz WEABRHMSCZNNIC-OLZOCXBDSA-N 0 1 406.280 3.885 20 5 HHBDMN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(-c2ccncc2)cc1 ZINC000539341619 1007642864 /nfs/dbraw/zinc/64/28/64/1007642864.db2.gz CCVRILATLZVNEN-INIZCTEOSA-N 0 1 402.454 3.897 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000539342902 1007643593 /nfs/dbraw/zinc/64/35/93/1007643593.db2.gz RKAWIDDKVNRHRT-HNNXBMFYSA-N 0 1 406.442 3.955 20 5 HHBDMN CN1CC[C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535679562 1007707258 /nfs/dbraw/zinc/70/72/58/1007707258.db2.gz JRLMBTLKBKKBFP-JLTOFOAXSA-N 0 1 421.856 3.575 20 5 HHBDMN CCOc1cc(NC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c([N+](=O)[O-])cc1OCC ZINC000535682484 1007713127 /nfs/dbraw/zinc/71/31/27/1007713127.db2.gz YEGUSHVZQFLTCJ-NSHDSACASA-N 0 1 406.443 3.516 20 5 HHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@H](c1ccccc1)c1ccccn1 ZINC000533471716 1007781055 /nfs/dbraw/zinc/78/10/55/1007781055.db2.gz HENRVAPTDIOLRH-OAQYLSRUSA-N 0 1 404.426 3.667 20 5 HHBDMN COc1cc(CN2CCC[C@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000535801459 1007808369 /nfs/dbraw/zinc/80/83/69/1007808369.db2.gz OCARHGUGCPAZKL-GXTWGEPZSA-N 0 1 404.385 3.545 20 5 HHBDMN CC1(C)CN(C2(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])CCCCC2)CCO1 ZINC000517646786 1007857581 /nfs/dbraw/zinc/85/75/81/1007857581.db2.gz KOIMKSISXHWXKU-UHFFFAOYSA-N 0 1 409.914 3.792 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000539718365 1008038876 /nfs/dbraw/zinc/03/88/76/1008038876.db2.gz SKSSXLBGURGOEG-INIZCTEOSA-N 0 1 408.418 3.758 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000539718365 1008038910 /nfs/dbraw/zinc/03/89/10/1008038910.db2.gz SKSSXLBGURGOEG-INIZCTEOSA-N 0 1 408.418 3.758 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)c1C ZINC000517893755 1008041660 /nfs/dbraw/zinc/04/16/60/1008041660.db2.gz NXOVBGDGIMPSNW-UHFFFAOYSA-N 0 1 403.382 3.987 20 5 HHBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c2c(c1)COCO2 ZINC000539767024 1008083951 /nfs/dbraw/zinc/08/39/51/1008083951.db2.gz UBQYCJGFMJYSMB-MRXNPFEDSA-N 0 1 421.457 3.626 20 5 HHBDMN C[C@@H](CC(=O)c1cccs1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000536086938 1008110562 /nfs/dbraw/zinc/11/05/62/1008110562.db2.gz ODQHETMIKAQRLC-QMMMGPOBSA-N 0 1 423.299 3.903 20 5 HHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000539935202 1008192992 /nfs/dbraw/zinc/19/29/92/1008192992.db2.gz FXNFUHQNBQONMU-LJQANCHMSA-N 0 1 413.474 3.569 20 5 HHBDMN COc1ccc(CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000540116756 1008296556 /nfs/dbraw/zinc/29/65/56/1008296556.db2.gz FFCQPWBEAAHERI-XJKSGUPXSA-N 0 1 416.478 3.865 20 5 HHBDMN O=[N+]([O-])c1ccc(OCCNCc2nc(-c3cccc(Br)c3)c[nH]2)cc1 ZINC000518450848 1008312324 /nfs/dbraw/zinc/31/23/24/1008312324.db2.gz YTOXJVMRMAFXKT-UHFFFAOYSA-N 0 1 417.263 3.916 20 5 HHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@H]2CN3CCC[C@@]3(C)CO2)no1 ZINC000518615299 1008366392 /nfs/dbraw/zinc/36/63/92/1008366392.db2.gz FEISBPMUTLNQFP-PBHICJAKSA-N 0 1 423.267 3.642 20 5 HHBDMN C[C@H](NCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540378670 1008407410 /nfs/dbraw/zinc/40/74/10/1008407410.db2.gz BJAVJJCCMZOSPZ-HNNXBMFYSA-N 0 1 405.458 3.947 20 5 HHBDMN COCCSc1ccc([C@@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000518789812 1008421108 /nfs/dbraw/zinc/42/11/08/1008421108.db2.gz DVGGQTLQDZJNDE-FOIQADDNSA-N 0 1 415.515 3.789 20 5 HHBDMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1 ZINC000540438681 1008434735 /nfs/dbraw/zinc/43/47/35/1008434735.db2.gz RGPUEKGOZUOPKS-OAHLLOKOSA-N 0 1 406.442 3.955 20 5 HHBDMN COc1ccccc1[C@H](CC(C)C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000540480566 1008448663 /nfs/dbraw/zinc/44/86/63/1008448663.db2.gz OKBYUVJAJOAHJK-HNNXBMFYSA-N 0 1 415.446 3.648 20 5 HHBDMN CCCc1[nH]nc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c1[N+](=O)[O-] ZINC000518865701 1008452635 /nfs/dbraw/zinc/45/26/35/1008452635.db2.gz WKLJVCMGMYQJRZ-UHFFFAOYSA-N 0 1 414.441 3.504 20 5 HHBDMN CCN(CCC1CC1)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000545509492 1008611257 /nfs/dbraw/zinc/61/12/57/1008611257.db2.gz VAAWLFCCJHMHEC-UHFFFAOYSA-N 0 1 417.487 3.658 20 5 HHBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1C(F)(F)F ZINC000543184596 1008758799 /nfs/dbraw/zinc/75/87/99/1008758799.db2.gz BYUAMRIIZMBNLI-GFCCVEGCSA-N 0 1 402.394 3.738 20 5 HHBDMN CCN1CCN(c2ccc(-c3noc(/C(C)=C/c4ccc([N+](=O)[O-])cc4)n3)cn2)CC1 ZINC000545695116 1008788678 /nfs/dbraw/zinc/78/86/78/1008788678.db2.gz JKFXTEHYMMCZTI-JQIJEIRASA-N 0 1 420.473 3.742 20 5 HHBDMN O=C1Nc2cc(Cl)ccc2[C@H]1C1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000549405516 1008993038 /nfs/dbraw/zinc/99/30/38/1008993038.db2.gz VQELMZSDEGUZQS-LJQANCHMSA-N 0 1 401.850 3.902 20 5 HHBDMN CN(C)[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000546009618 1009044887 /nfs/dbraw/zinc/04/48/87/1009044887.db2.gz RGDJGJFORHKXMI-KRWDZBQOSA-N 0 1 410.396 3.716 20 5 HHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000519891531 1009058295 /nfs/dbraw/zinc/05/82/95/1009058295.db2.gz FDJMZWDXBUITHI-OAHLLOKOSA-N 0 1 421.494 3.587 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](NCc3nc4cc([N+](=O)[O-])ccc4o3)CCN2C2CC2)c1 ZINC000549476704 1009073156 /nfs/dbraw/zinc/07/31/56/1009073156.db2.gz OPMSBDGQDYVPMW-PGRDOPGGSA-N 0 1 408.458 3.812 20 5 HHBDMN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCCN(Cc2ccccc2)CC1 ZINC000549482397 1009082868 /nfs/dbraw/zinc/08/28/68/1009082868.db2.gz QJTVXUWWBKPDCB-UHFFFAOYSA-N 0 1 407.392 3.962 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)[nH]c2c1 ZINC000519930783 1009086329 /nfs/dbraw/zinc/08/63/29/1009086329.db2.gz KVASBYXYGKULNH-INIZCTEOSA-N 0 1 420.878 3.959 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-n2nc(C)cc2C)c1 ZINC000520038286 1009196763 /nfs/dbraw/zinc/19/67/63/1009196763.db2.gz WVYUPIGDNCXYCZ-UHFFFAOYSA-N 0 1 400.460 3.761 20 5 HHBDMN O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000520094086 1009251816 /nfs/dbraw/zinc/25/18/16/1009251816.db2.gz CQCFHYHJCFDCDR-IBGZPJMESA-N 0 1 402.882 3.613 20 5 HHBDMN COc1ccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000543884556 1009460608 /nfs/dbraw/zinc/46/06/08/1009460608.db2.gz NKIWDUNYEGZPQN-UHFFFAOYSA-N 0 1 402.426 3.529 20 5 HHBDMN COc1cccc(-c2cc(-c3nc(Cc4ccc([N+](=O)[O-])c(OC)c4)no3)[nH]n2)c1 ZINC000546471599 1009493075 /nfs/dbraw/zinc/49/30/75/1009493075.db2.gz GRRYCGDDMIJBSP-UHFFFAOYSA-N 0 1 407.386 3.643 20 5 HHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000549927809 1009542394 /nfs/dbraw/zinc/54/23/94/1009542394.db2.gz FEGXCAZXCDVXME-LJQANCHMSA-N 0 1 409.408 3.777 20 5 HHBDMN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000520616978 1009694627 /nfs/dbraw/zinc/69/46/27/1009694627.db2.gz GHJJJNZEEGXQNO-AWEZNQCLSA-N 0 1 405.476 3.541 20 5 HHBDMN COc1ccc(NC(=O)CN2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000520658966 1009729194 /nfs/dbraw/zinc/72/91/94/1009729194.db2.gz MMNAJRPJQWLVRG-GOSISDBHSA-N 0 1 409.446 3.564 20 5 HHBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCC2CC2)c(F)c1 ZINC000544124447 1009732743 /nfs/dbraw/zinc/73/27/43/1009732743.db2.gz YCGKHFYZZNTMFZ-AWEZNQCLSA-N 0 1 422.478 3.647 20 5 HHBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000550238077 1009795815 /nfs/dbraw/zinc/79/58/15/1009795815.db2.gz POBZLOMAKRPMBZ-GFCCVEGCSA-N 0 1 417.828 3.862 20 5 HHBDMN O=C1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000546883582 1009844233 /nfs/dbraw/zinc/84/42/33/1009844233.db2.gz KCQWCYPFUFUORG-LBPRGKRZSA-N 0 1 401.227 3.508 20 5 HHBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000544319070 1009943178 /nfs/dbraw/zinc/94/31/78/1009943178.db2.gz NUGGGMPALFLQPH-MRXNPFEDSA-N 0 1 423.498 3.878 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCCC1 ZINC000544534063 1010163536 /nfs/dbraw/zinc/16/35/36/1010163536.db2.gz ULMSKPBLKKBJSX-FOIQADDNSA-N 0 1 415.465 3.799 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Oc3cccnc3)nc2)c1C ZINC000550965800 1010285518 /nfs/dbraw/zinc/28/55/18/1010285518.db2.gz JRBSTSMVKKAGSK-UHFFFAOYSA-N 0 1 400.416 3.595 20 5 HHBDMN CC[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCN1Cc1ccccc1 ZINC000545396540 1010771959 /nfs/dbraw/zinc/77/19/59/1010771959.db2.gz RPYQILLDGPRSSN-IBGZPJMESA-N 0 1 407.474 3.741 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2cccc(COCCOC(C)C)c2)ccc1[N+](=O)[O-] ZINC000522366416 1010960965 /nfs/dbraw/zinc/96/09/65/1010960965.db2.gz WJZAIBHDFYNQMT-UHFFFAOYSA-N 0 1 408.476 3.646 20 5 HHBDMN C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000522557824 1011078834 /nfs/dbraw/zinc/07/88/34/1011078834.db2.gz IIPFXHGGARRIQM-AWEZNQCLSA-N 0 1 423.922 3.752 20 5 HHBDMN CC(C)CN1Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)c2C1 ZINC000540694785 1011347324 /nfs/dbraw/zinc/34/73/24/1011347324.db2.gz CAONOFAUCITZPY-UHFFFAOYSA-N 0 1 424.501 3.655 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc1 ZINC000540979253 1011611905 /nfs/dbraw/zinc/61/19/05/1011611905.db2.gz PNXFLKNLZNKDQB-UHFFFAOYSA-N 0 1 412.349 3.600 20 5 HHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1OC ZINC000541060294 1011700360 /nfs/dbraw/zinc/70/03/60/1011700360.db2.gz OWSYWBSSYHFVGU-BQFCYCMXSA-N 0 1 419.522 3.519 20 5 HHBDMN Cc1[nH]nc(C(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)n[nH]2)c1[N+](=O)[O-] ZINC000523353182 1011831495 /nfs/dbraw/zinc/83/14/95/1011831495.db2.gz GTQINFRMLDRKQH-UHFFFAOYSA-N 0 1 414.441 3.641 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000536837382 1012067468 /nfs/dbraw/zinc/06/74/68/1012067468.db2.gz FBDWFXVZUBAWMP-RHSMWYFYSA-N 0 1 401.438 3.979 20 5 HHBDMN CC(C)(C)C1=CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000552168468 1012185274 /nfs/dbraw/zinc/18/52/74/1012185274.db2.gz FSJXIRAROWOOQC-UHFFFAOYSA-N 0 1 410.312 3.765 20 5 HHBDMN Cc1c(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000541545956 1012332032 /nfs/dbraw/zinc/33/20/32/1012332032.db2.gz QYOAXBPHVNEKRZ-OAHLLOKOSA-N 0 1 405.336 3.560 20 5 HHBDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000552395944 1012407709 /nfs/dbraw/zinc/40/77/09/1012407709.db2.gz WSEZRRZFOMDGKB-SNVBAGLBSA-N 0 1 407.268 3.947 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541702422 1012551674 /nfs/dbraw/zinc/55/16/74/1012551674.db2.gz ZGEHMJXTHMHFKE-QFBILLFUSA-N 0 1 417.437 3.533 20 5 HHBDMN C[C@H]1N(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCC12CCOCC2 ZINC000541728093 1012578884 /nfs/dbraw/zinc/57/88/84/1012578884.db2.gz QNLXOBZQIUXCHJ-CQSZACIVSA-N 0 1 416.503 3.548 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CC(C)C)c1ccccc1OC ZINC000537174311 1012580271 /nfs/dbraw/zinc/58/02/71/1012580271.db2.gz FJBXJCFXNDRRRO-SFHVURJKSA-N 0 1 401.463 3.928 20 5 HHBDMN COC(=O)c1c(C)c(C)sc1NC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537174775 1012580502 /nfs/dbraw/zinc/58/05/02/1012580502.db2.gz CDNSXQLCHCQPHG-LBPRGKRZSA-N 0 1 405.476 3.657 20 5 HHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(N3CCCCC3)cn2)cc1[N+](=O)[O-] ZINC000523932997 1012662126 /nfs/dbraw/zinc/66/21/26/1012662126.db2.gz LDBBNMBJPBQPJN-UHFFFAOYSA-N 0 1 410.883 3.743 20 5 HHBDMN C[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000523958319 1012701214 /nfs/dbraw/zinc/70/12/14/1012701214.db2.gz RHGXGJCNEBESAP-HNNXBMFYSA-N 0 1 417.893 3.580 20 5 HHBDMN CCc1[nH]nc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC000523978248 1012725147 /nfs/dbraw/zinc/72/51/47/1012725147.db2.gz NHZXKIXNPMFCCW-UHFFFAOYSA-N 0 1 403.402 3.585 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000537297896 1012755426 /nfs/dbraw/zinc/75/54/26/1012755426.db2.gz IVDVACKHILYDBY-SFHVURJKSA-N 0 1 401.463 3.609 20 5 HHBDMN CCc1ccc([C@H](CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])N(CC)CC)cc1 ZINC001212021826 1071902493 /nfs/dbraw/zinc/90/24/93/1071902493.db2.gz VQYOIMPKHVLOTQ-FQEVSTJZSA-N 0 1 419.547 3.827 20 5 HHBDMN CCOc1cccc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000760343942 1072265881 /nfs/dbraw/zinc/26/58/81/1072265881.db2.gz JWLUTEQOZINWCX-UHFFFAOYSA-N 0 1 401.238 3.557 20 5 HHBDMN CN1CC[C@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000588008686 1072743451 /nfs/dbraw/zinc/74/34/51/1072743451.db2.gz DAHNCAITCAOSOK-KZULUSFZSA-N 0 1 408.861 3.567 20 5 HHBDMN CCC[C@@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(OC)c3)c2C1 ZINC000479144526 1072765345 /nfs/dbraw/zinc/76/53/45/1072765345.db2.gz PHRJXSOTGIGZMY-CQSZACIVSA-N 0 1 419.503 3.908 20 5 HHBDMN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(F)c(Br)c1 ZINC000590192737 1073637464 /nfs/dbraw/zinc/63/74/64/1073637464.db2.gz GBFIHZZYCAZFKY-LLVKDONJSA-N 0 1 422.254 3.736 20 5 HHBDMN O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000590556256 1073891429 /nfs/dbraw/zinc/89/14/29/1073891429.db2.gz BPJAVZKBACTZAP-UHFFFAOYSA-N 0 1 411.381 3.729 20 5 HHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000555847645 1073898439 /nfs/dbraw/zinc/89/84/39/1073898439.db2.gz WEDLQHIRPZKTAX-KRWDZBQOSA-N 0 1 424.270 3.838 20 5 HHBDMN COc1ccc(-c2ccc(CN3CC[C@@H](C(F)(F)F)[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000573726544 1074638824 /nfs/dbraw/zinc/63/88/24/1074638824.db2.gz VBBILYSMAXHLEQ-BLLLJJGKSA-N 0 1 414.380 3.856 20 5 HHBDMN Cc1ccc([C@@H](CNC(=O)N(C)CCc2ccccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000574507274 1075286428 /nfs/dbraw/zinc/28/64/28/1075286428.db2.gz RKYPCNLSNYWXOH-LJQANCHMSA-N 0 1 400.479 3.517 20 5 HHBDMN Cc1nc(CN2CCCC23CCN(c2cc([N+](=O)[O-])c4cc[nH]c4n2)CC3)cs1 ZINC001164691227 719812009 /nfs/dbraw/zinc/81/20/09/719812009.db2.gz BEPWJPAAOAYHIT-UHFFFAOYSA-N 0 1 412.519 3.871 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164907057 721698602 /nfs/dbraw/zinc/69/86/02/721698602.db2.gz QTCBNQJZZPSKNJ-SFHVURJKSA-N 0 1 423.851 3.776 20 5 HHBDMN O=[N+]([O-])c1c(Cl)ccc2nc(N3CCN(CCOc4ccccc4)CC3)ccc21 ZINC001165043780 721956980 /nfs/dbraw/zinc/95/69/80/721956980.db2.gz AVFOZAJRJSVEEP-UHFFFAOYSA-N 0 1 412.877 3.997 20 5 HHBDMN COc1c(C)cnc(CN2CCC(N(C)c3ccc(F)cc3[N+](=O)[O-])CC2)c1C ZINC000301166582 970783681 /nfs/dbraw/zinc/78/36/81/970783681.db2.gz CUBWMHKPVRTZBW-UHFFFAOYSA-N 0 1 402.470 3.855 20 5 HHBDMN Cn1ccnc1C(=O)c1ccc(Sc2nc(-c3ccccc3F)n[nH]2)c([N+](=O)[O-])c1 ZINC000301268610 970842626 /nfs/dbraw/zinc/84/26/26/970842626.db2.gz QJYCTJOZDILCAA-UHFFFAOYSA-N 0 1 424.417 3.635 20 5 HHBDMN COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000301325849 970868962 /nfs/dbraw/zinc/86/89/62/970868962.db2.gz ARLWSDKXIRRBMR-GJZGRUSLSA-N 0 1 403.454 3.964 20 5 HHBDMN O=[N+]([O-])c1ccc(CNc2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)cc1 ZINC000301530821 970969242 /nfs/dbraw/zinc/96/92/42/970969242.db2.gz RSNBGRXNOZFPHT-UHFFFAOYSA-N 0 1 420.397 3.681 20 5 HHBDMN COc1c(C)cnc(CN2CCC(N(C)c3ncc(Cl)cc3[N+](=O)[O-])CC2)c1C ZINC000301749300 971052458 /nfs/dbraw/zinc/05/24/58/971052458.db2.gz TVCSMSWOKLNPBT-UHFFFAOYSA-N 0 1 419.913 3.764 20 5 HHBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301898844 971104814 /nfs/dbraw/zinc/10/48/14/971104814.db2.gz XGNZYCDDRDPKII-BFUOFWGJSA-N 0 1 420.872 3.852 20 5 HHBDMN CNC(=O)c1ccc(NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000301901191 971106803 /nfs/dbraw/zinc/10/68/03/971106803.db2.gz ZWGLVNWDPHWOGE-AUUYWEPGSA-N 0 1 420.872 3.852 20 5 HHBDMN CC1CCN(Cc2ccccc2CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301920628 971116143 /nfs/dbraw/zinc/11/61/43/971116143.db2.gz CZCYRWAMIUIFEX-UHFFFAOYSA-N 0 1 423.560 3.904 20 5 HHBDMN CN1CC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301967506 971136151 /nfs/dbraw/zinc/13/61/51/971136151.db2.gz OUKILRIDVKUJRS-KZULUSFZSA-N 0 1 404.833 3.535 20 5 HHBDMN CNC(=O)c1ccc(N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000302025027 971154617 /nfs/dbraw/zinc/15/46/17/971154617.db2.gz KDGBVDKIHJLTNI-AZUAARDMSA-N 0 1 418.444 3.869 20 5 HHBDMN CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)s1 ZINC000302200600 971205755 /nfs/dbraw/zinc/20/57/55/971205755.db2.gz UZTUPZXXGIUJFY-UHFFFAOYSA-N 0 1 416.893 3.650 20 5 HHBDMN Nc1c(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc(F)cc1[N+](=O)[O-] ZINC000303350926 971650606 /nfs/dbraw/zinc/65/06/06/971650606.db2.gz YGLRXBSTJVBPNH-UHFFFAOYSA-N 0 1 420.872 3.612 20 5 HHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000303739260 971993086 /nfs/dbraw/zinc/99/30/86/971993086.db2.gz HVPMNXPNARCTJD-GDBMZVCRSA-N 0 1 419.445 3.628 20 5 HHBDMN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000553183832 1013142435 /nfs/dbraw/zinc/14/24/35/1013142435.db2.gz NGZNVHNONNACOS-DIFFPNOSSA-N 0 1 410.348 3.921 20 5 HHBDMN CC(C)(C)CCCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000303851584 972391274 /nfs/dbraw/zinc/39/12/74/972391274.db2.gz RTLQJBJPBCRAKI-UHFFFAOYSA-N 0 1 419.503 3.952 20 5 HHBDMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004880252 960621830 /nfs/dbraw/zinc/62/18/30/960621830.db2.gz DNNWCNBCHCAJCQ-UHFFFAOYSA-N 0 1 407.814 3.903 20 5 HHBDMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005678422 960764980 /nfs/dbraw/zinc/76/49/80/960764980.db2.gz HAGVZZNFAVLLAE-UHFFFAOYSA-N 0 1 407.814 3.903 20 5 HHBDMN COc1ccc(NC(=O)[C@@H](C)Sc2nc(CCC3CCCC3)n[nH]2)c([N+](=O)[O-])c1 ZINC000012104960 962239108 /nfs/dbraw/zinc/23/91/08/962239108.db2.gz BAKRQOIHYAJEDA-GFCCVEGCSA-N 0 1 419.507 3.964 20 5 HHBDMN COc1ccc(NC(=O)[C@@H](C)Sc2n[nH]c(CCC3CCCC3)n2)c([N+](=O)[O-])c1 ZINC000012104960 962239126 /nfs/dbraw/zinc/23/91/26/962239126.db2.gz BAKRQOIHYAJEDA-GFCCVEGCSA-N 0 1 419.507 3.964 20 5 HHBDMN CC(=O)Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C(F)(F)F)c1 ZINC000014205398 962444512 /nfs/dbraw/zinc/44/45/12/962444512.db2.gz ZZCTVSDAWWRYEH-UHFFFAOYSA-N 0 1 417.365 3.681 20 5 HHBDMN COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000017911487 963239997 /nfs/dbraw/zinc/23/99/97/963239997.db2.gz FMIMXOUNCQIXJN-IBGZPJMESA-N 0 1 403.866 3.824 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000537941967 1013525571 /nfs/dbraw/zinc/52/55/71/1013525571.db2.gz KCYXMMKPNJPOBP-QGZVFWFLSA-N 0 1 417.531 3.680 20 5 HHBDMN 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ZINC000542626811 1013562741 /nfs/dbraw/zinc/56/27/41/1013562741.db2.gz MCLCFGMICNXPPG-HKUYNNGSSA-N 0 1 401.438 3.833 20 5 HHBDMN COc1cccc(Oc2ccc(CNC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cn2)c1 ZINC000053995456 965342292 /nfs/dbraw/zinc/34/22/92/965342292.db2.gz VSXRSNLCWZNABC-UHFFFAOYSA-N 0 1 419.397 3.597 20 5 HHBDMN CC[C@@H](C)[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000057301106 965392215 /nfs/dbraw/zinc/39/22/15/965392215.db2.gz CDYCSAYILPMMRC-KGLIPLIRSA-N 0 1 405.476 3.560 20 5 HHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000055086023 965750549 /nfs/dbraw/zinc/75/05/49/965750549.db2.gz DXIASUFQNVJLRG-IBGZPJMESA-N 0 1 400.479 3.945 20 5 HHBDMN Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000031535214 966044692 /nfs/dbraw/zinc/04/46/92/966044692.db2.gz GMRJBRZKIPYLLN-UHFFFAOYSA-N 0 1 400.460 3.815 20 5 HHBDMN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(CC2CCCCC2)CC1 ZINC000060579591 966214655 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CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000072068583 968969424 /nfs/dbraw/zinc/96/94/24/968969424.db2.gz SZOZCIDVBOVORR-UHFFFAOYSA-N 0 1 402.882 3.951 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000097548859 969157890 /nfs/dbraw/zinc/15/78/90/969157890.db2.gz SBFUNVNVVYPJGN-HNNXBMFYSA-N 0 1 407.492 3.731 20 5 HHBDMN CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCc2ccccc2C1 ZINC000106020911 969281501 /nfs/dbraw/zinc/28/15/01/969281501.db2.gz TYHBTJGLBASLLA-FQEVSTJZSA-N 0 1 422.529 3.762 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1n[nH]c(C(C)C)n1 ZINC000108382146 969377960 /nfs/dbraw/zinc/37/79/60/969377960.db2.gz FUOAZGGAQKTDGY-UHFFFAOYSA-N 0 1 401.448 3.613 20 5 HHBDMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000109847381 969577119 /nfs/dbraw/zinc/57/71/19/969577119.db2.gz XKFBPJRYUGLRPP-INIZCTEOSA-N 0 1 414.481 3.675 20 5 HHBDMN CC(C)CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H](O)c1ccc(F)cc1 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COc1ccc(-c2ccc(CN3CCC(Oc4cnccn4)CC3)o2)c([N+](=O)[O-])c1 ZINC000426001801 974117459 /nfs/dbraw/zinc/11/74/59/974117459.db2.gz ZBWQCCDDGFADNA-UHFFFAOYSA-N 0 1 410.430 3.697 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1OC)N1CCCCC1 ZINC000426840736 974703851 /nfs/dbraw/zinc/70/38/51/974703851.db2.gz RDALPEXXPSWRGJ-LJQANCHMSA-N 0 1 413.474 3.569 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1OC)N1CCCCC1 ZINC000426840735 974703937 /nfs/dbraw/zinc/70/39/37/974703937.db2.gz RDALPEXXPSWRGJ-IBGZPJMESA-N 0 1 413.474 3.569 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000426918113 974752475 /nfs/dbraw/zinc/75/24/75/974752475.db2.gz YCQMNDIDNARLFL-UHFFFAOYSA-N 0 1 417.893 3.899 20 5 HHBDMN CN(C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1(C)CCCC1 ZINC000428660517 975958474 /nfs/dbraw/zinc/95/84/74/975958474.db2.gz NIGHFARHSKTPOT-UHFFFAOYSA-N 0 1 417.487 3.800 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429253041 976541270 /nfs/dbraw/zinc/54/12/70/976541270.db2.gz JMXLOFJAAZSAOK-MRXNPFEDSA-N 0 1 400.454 3.582 20 5 HHBDMN CCc1ccc([C@@H](NC2CCN(c3cccnn3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000429441443 976720018 /nfs/dbraw/zinc/72/00/18/976720018.db2.gz JNIVGWARQATWMX-QFIPXVFZSA-N 0 1 407.474 3.888 20 5 HHBDMN Cc1cccc(N2CCN(CCCNC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000429866100 977138895 /nfs/dbraw/zinc/13/88/95/977138895.db2.gz IFDMGVKBRGWPOL-UHFFFAOYSA-N 0 1 424.545 3.509 20 5 HHBDMN CC(=O)N1CCC(N(C/C=C\c2ccccc2[N+](=O)[O-])Cc2cncs2)CC1 ZINC000430191266 977382748 /nfs/dbraw/zinc/38/27/48/977382748.db2.gz FUJOUPSLMMZUHO-XQRVVYSFSA-N 0 1 400.504 3.578 20 5 HHBDMN C[C@H]1CC[C@@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000430443739 977554589 /nfs/dbraw/zinc/55/45/89/977554589.db2.gz DQEYGAJSJLILKG-WMLDXEAASA-N 0 1 417.487 3.656 20 5 HHBDMN COCc1nc2cc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc2o1 ZINC000432380432 978788468 /nfs/dbraw/zinc/78/84/68/978788468.db2.gz YZRCKRJKUKCFCJ-UHFFFAOYSA-N 0 1 411.823 3.645 20 5 HHBDMN Cc1c(F)c(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])ccc1Br ZINC000432643166 978923048 /nfs/dbraw/zinc/92/30/48/978923048.db2.gz OKIZATMEVNDIKE-UHFFFAOYSA-N 0 1 407.192 3.745 20 5 HHBDMN COc1cc(CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C2CC2)ccc1OC(F)F ZINC000433842690 979620136 /nfs/dbraw/zinc/62/01/36/979620136.db2.gz PVNCJDZHLVKWBV-UHFFFAOYSA-N 0 1 424.404 3.856 20 5 HHBDMN CC(C)c1n[nH]c(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000433851189 979626208 /nfs/dbraw/zinc/62/62/08/979626208.db2.gz AGQDVVTWKQSDJC-CQSZACIVSA-N 0 1 405.524 3.706 20 5 HHBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434181814 979946597 /nfs/dbraw/zinc/94/65/97/979946597.db2.gz VEXABKSVSKTFIR-UHFFFAOYSA-N 0 1 403.508 3.551 20 5 HHBDMN CC(=O)NC[C@@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000434988364 980551876 /nfs/dbraw/zinc/55/18/76/980551876.db2.gz RKMQFKVSHVIVSS-KRWDZBQOSA-N 0 1 401.438 3.874 20 5 HHBDMN COc1cc(CNCC2([S@@](C)=O)CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000435734734 981008846 /nfs/dbraw/zinc/00/88/46/981008846.db2.gz YEVXDMFVSCGVQD-GDLZYMKVSA-N 0 1 418.515 3.573 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)c1[N+](=O)[O-] ZINC000435972944 981124299 /nfs/dbraw/zinc/12/42/99/981124299.db2.gz DRHACYASNZFTHK-CYBMUJFWSA-N 0 1 411.231 3.759 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000436010191 981152268 /nfs/dbraw/zinc/15/22/68/981152268.db2.gz ZFCNHDYOBRXIAY-UHFFFAOYSA-N 0 1 416.869 3.671 20 5 HHBDMN C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@@H](C)C1 ZINC000436113455 981206427 /nfs/dbraw/zinc/20/64/27/981206427.db2.gz YYFXHKKLVPRHMF-KGLIPLIRSA-N 0 1 413.468 3.810 20 5 HHBDMN CN(CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)Cc1ccccc1 ZINC000436139777 981215954 /nfs/dbraw/zinc/21/59/54/981215954.db2.gz FSYBCNXNLVTUFZ-UHFFFAOYSA-N 0 1 421.447 3.821 20 5 HHBDMN O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436957353 981646584 /nfs/dbraw/zinc/64/65/84/981646584.db2.gz UQAPQWNGWIBFCB-IBGZPJMESA-N 0 1 423.494 3.891 20 5 HHBDMN O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436957353 981646589 /nfs/dbraw/zinc/64/65/89/981646589.db2.gz UQAPQWNGWIBFCB-IBGZPJMESA-N 0 1 423.494 3.891 20 5 HHBDMN Cc1c(Br)cc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000438810357 983085178 /nfs/dbraw/zinc/08/51/78/983085178.db2.gz NSXYDQPZHXLYDY-UHFFFAOYSA-N 0 1 407.192 3.745 20 5 HHBDMN O=c1[nH]c(N2CCCN(Cc3ccc(Cl)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000439108200 983253497 /nfs/dbraw/zinc/25/34/97/983253497.db2.gz RBHOORKZVQISRH-UHFFFAOYSA-N 0 1 413.865 3.609 20 5 HHBDMN C[C@H](NC[C@@H](O)COc1cc(F)cc(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000439459961 983420221 /nfs/dbraw/zinc/42/02/21/983420221.db2.gz WYNRNNXHFPFFGD-SMDDNHRTSA-N 0 1 413.243 3.587 20 5 HHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000440073872 983633690 /nfs/dbraw/zinc/63/36/90/983633690.db2.gz GFBXOWNYSBCLRW-UHFFFAOYSA-N 0 1 415.393 3.582 20 5 HHBDMN O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000440737946 983878442 /nfs/dbraw/zinc/87/84/42/983878442.db2.gz TVQFHFHVAGJLRR-INIZCTEOSA-N 0 1 400.822 3.867 20 5 HHBDMN Cc1ccc([C@@H](Cn2ccnc2)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000441386814 984224118 /nfs/dbraw/zinc/22/41/18/984224118.db2.gz XBIIFVNFNOGIAZ-FCHUYYIVSA-N 0 1 419.485 3.545 20 5 HHBDMN CCC(CC)(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000461874320 984899373 /nfs/dbraw/zinc/89/93/73/984899373.db2.gz ZUYNHALMTSVVNH-UHFFFAOYSA-N 0 1 402.447 3.805 20 5 HHBDMN COCc1cc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000462283434 985271208 /nfs/dbraw/zinc/27/12/08/985271208.db2.gz IRZMSDVLLBWZPK-UHFFFAOYSA-N 0 1 423.249 3.666 20 5 HHBDMN COc1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)c([N+](=O)[O-])c1 ZINC000462377617 985361488 /nfs/dbraw/zinc/36/14/88/985361488.db2.gz BOKUGEVSDHLXGW-CQSZACIVSA-N 0 1 419.503 3.764 20 5 HHBDMN COc1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)c([N+](=O)[O-])c1 ZINC000462377617 985361498 /nfs/dbraw/zinc/36/14/98/985361498.db2.gz BOKUGEVSDHLXGW-CQSZACIVSA-N 0 1 419.503 3.764 20 5 HHBDMN Cc1cc(N2CC[C@H](NCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Br ZINC000462378941 985362180 /nfs/dbraw/zinc/36/21/80/985362180.db2.gz FPYIOZKOQZSSFR-KRWDZBQOSA-N 0 1 404.264 3.561 20 5 HHBDMN CN(C)[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000462425822 985396978 /nfs/dbraw/zinc/39/69/78/985396978.db2.gz ICMDTEJTFFCXFC-CYBMUJFWSA-N 0 1 424.331 3.544 20 5 HHBDMN C[C@H]1CCCC[C@H]1OCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462542596 985490371 /nfs/dbraw/zinc/49/03/71/985490371.db2.gz NTWDQIUSYXDBGO-IINYFYTJSA-N 0 1 411.307 3.775 20 5 HHBDMN O=C1C[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1CCOc1ccccc1 ZINC000462727022 985673732 /nfs/dbraw/zinc/67/37/32/985673732.db2.gz VOFIHSASCIMMMF-GOSISDBHSA-N 0 1 421.453 3.624 20 5 HHBDMN CNc1c(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000462775326 985711632 /nfs/dbraw/zinc/71/16/32/985711632.db2.gz GIHIMTFPZCSNNX-BFUOFWGJSA-N 0 1 420.872 3.852 20 5 HHBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(C)(C)C)cc1 ZINC000462846289 985770590 /nfs/dbraw/zinc/77/05/90/985770590.db2.gz AKTBKWBSLCBAPT-OAHLLOKOSA-N 0 1 406.504 3.897 20 5 HHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443660261 985859704 /nfs/dbraw/zinc/85/97/04/985859704.db2.gz QNTGWVKARKZVOO-HNNXBMFYSA-N 0 1 417.849 3.700 20 5 HHBDMN C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)N1CCN(c2ccccc2)CC1 ZINC000462926183 985860860 /nfs/dbraw/zinc/86/08/60/985860860.db2.gz CZABSIBYGZYHOR-HNNXBMFYSA-N 0 1 406.433 3.819 20 5 HHBDMN COc1ccc(NC(=O)CCN2CC[C@@H](Oc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000443661218 985861776 /nfs/dbraw/zinc/86/17/76/985861776.db2.gz SBQYZMNILWUWAR-OAHLLOKOSA-N 0 1 419.865 3.739 20 5 HHBDMN CCNc1ccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000443941750 986150239 /nfs/dbraw/zinc/15/02/39/986150239.db2.gz AKNQXWJQVBTILB-UHFFFAOYSA-N 0 1 404.224 3.918 20 5 HHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 ZINC000463194577 986166986 /nfs/dbraw/zinc/16/69/86/986166986.db2.gz RUCWVKKNZRBICS-MRXNPFEDSA-N 0 1 423.473 3.515 20 5 HHBDMN CCOc1ccc(NC(=O)CN2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000463203139 986174841 /nfs/dbraw/zinc/17/48/41/986174841.db2.gz JUXALAOTDSWJSO-GRVMKYMCSA-N 0 1 419.522 3.584 20 5 HHBDMN COc1ccc(NC(=O)CN(C[C@H]2CCCO2)C2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000444189806 986367798 /nfs/dbraw/zinc/36/77/98/986367798.db2.gz GLUWJGKUOBHGOB-LEOMRAHMSA-N 0 1 405.495 3.602 20 5 HHBDMN CCc1[nH]nc(C(=O)N(CC)[C@@H](c2cccnc2)c2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000444268776 986463395 /nfs/dbraw/zinc/46/33/95/986463395.db2.gz ONBZEZRABMCXPR-GOSISDBHSA-N 0 1 415.400 3.805 20 5 HHBDMN CC(C)c1nc([C@@H](C)NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n[nH]1 ZINC000444287973 986475179 /nfs/dbraw/zinc/47/51/79/986475179.db2.gz FHBUXNDXXRUYGA-SNVBAGLBSA-N 0 1 411.412 3.692 20 5 HHBDMN CCc1n[nH]c(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1[N+](=O)[O-] ZINC000444370033 986546291 /nfs/dbraw/zinc/54/62/91/986546291.db2.gz WCXQFPVRSLYQSG-SFHVURJKSA-N 0 1 421.448 3.504 20 5 HHBDMN CCc1n[nH]c(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1[N+](=O)[O-] ZINC000444370032 986546681 /nfs/dbraw/zinc/54/66/81/986546681.db2.gz WCXQFPVRSLYQSG-GOSISDBHSA-N 0 1 421.448 3.504 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cccc(OCC(F)(F)F)c2C)ccc1[N+](=O)[O-] ZINC000468865782 986574068 /nfs/dbraw/zinc/57/40/68/986574068.db2.gz GZLUNJVHWAEVLX-UHFFFAOYSA-N 0 1 420.365 3.654 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cccc(Oc3ccccn3)c2)ccc1[N+](=O)[O-] ZINC000469033471 986743557 /nfs/dbraw/zinc/74/35/57/986743557.db2.gz QYODHWJITJYQAH-UHFFFAOYSA-N 0 1 401.400 3.592 20 5 HHBDMN CC(C)CCSc1ccc(C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000444560069 986753565 /nfs/dbraw/zinc/75/35/65/986753565.db2.gz YSLDFDMREJKHRX-INIZCTEOSA-N 0 1 423.579 3.650 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)ccc1[N+](=O)[O-] ZINC000469071029 986783009 /nfs/dbraw/zinc/78/30/09/986783009.db2.gz URPXNGHGGAHSEK-UHFFFAOYSA-N 0 1 415.427 3.937 20 5 HHBDMN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](C)N3CCC(Cc4ccccc4)CC3)n2)n1C ZINC000445620524 987691803 /nfs/dbraw/zinc/69/18/03/987691803.db2.gz OBVBEHIWNMFCNY-CQSZACIVSA-N 0 1 410.478 3.702 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000470117341 988019556 /nfs/dbraw/zinc/01/95/56/988019556.db2.gz ZEPUGWDLURGAIK-VQTJNVASSA-N 0 1 414.437 3.842 20 5 HHBDMN COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000470117339 988019700 /nfs/dbraw/zinc/01/97/00/988019700.db2.gz ZEPUGWDLURGAIK-PMACEKPBSA-N 0 1 414.437 3.842 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000470145525 988053097 /nfs/dbraw/zinc/05/30/97/988053097.db2.gz WBDPKQKOTHROME-GASCZTMLSA-N 0 1 416.453 3.665 20 5 HHBDMN CN(C)[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000470273824 988226506 /nfs/dbraw/zinc/22/65/06/988226506.db2.gz HXIYKSZRLYZLRP-SFHVURJKSA-N 0 1 424.423 3.758 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000470599972 988616705 /nfs/dbraw/zinc/61/67/05/988616705.db2.gz GYEDFKUCOHXYTJ-MRXNPFEDSA-N 0 1 421.379 3.523 20 5 HHBDMN Cc1ccc([C@H](NCCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c2ccccn2)cc1 ZINC000471081029 989175751 /nfs/dbraw/zinc/17/57/51/989175751.db2.gz ZTBVSDVELCMKDI-QFIPXVFZSA-N 0 1 418.453 3.975 20 5 HHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(F)ccc1Br ZINC000466269398 991514492 /nfs/dbraw/zinc/51/44/92/991514492.db2.gz GMCJLNQIZIOZGW-UHFFFAOYSA-N 0 1 409.620 3.951 20 5 HHBDMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000466306122 991560013 /nfs/dbraw/zinc/56/00/13/991560013.db2.gz ISILEUXZIVZIII-UHFFFAOYSA-N 0 1 414.437 3.801 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1cccc2cc[nH]c21 ZINC000466721477 992033163 /nfs/dbraw/zinc/03/31/63/992033163.db2.gz FLDWFOIQFWGYTR-UHFFFAOYSA-N 0 1 400.243 3.861 20 5 HHBDMN CS(=O)(=O)c1ccc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000466824407 992132815 /nfs/dbraw/zinc/13/28/15/992132815.db2.gz ILJMFDUBKHTDDN-MRXNPFEDSA-N 0 1 420.878 3.870 20 5 HHBDMN CCc1ccc(-c2noc([C@@H](C)NS(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)n2)cc1 ZINC000467057778 992367005 /nfs/dbraw/zinc/36/70/05/992367005.db2.gz NKFMONWZSWAJIB-SNVBAGLBSA-N 0 1 422.488 3.617 20 5 HHBDMN Cc1c(NC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000467093923 992399965 /nfs/dbraw/zinc/39/99/65/992399965.db2.gz TXSJFGZXTGJKLH-OAHLLOKOSA-N 0 1 420.351 3.951 20 5 HHBDMN Cc1n[nH]c(CCNC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)n1 ZINC000467510622 992790115 /nfs/dbraw/zinc/79/01/15/992790115.db2.gz IQAPJUYBZQFMQZ-UHFFFAOYSA-N 0 1 417.878 3.798 20 5 HHBDMN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000467769135 993011180 /nfs/dbraw/zinc/01/11/80/993011180.db2.gz KIFYVCUJSNNZJU-UHFFFAOYSA-N 0 1 400.412 3.680 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000467781155 993019164 /nfs/dbraw/zinc/01/91/64/993019164.db2.gz BFFQYDQPGXENAQ-OLZOCXBDSA-N 0 1 419.290 3.560 20 5 HHBDMN CN1CCN(CCC(C)(C)Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000472665024 993592805 /nfs/dbraw/zinc/59/28/05/993592805.db2.gz BCGPZYJYUTZVGT-UHFFFAOYSA-N 0 1 410.518 3.654 20 5 HHBDMN CCOc1ccc(NC(=O)CN[C@@H](C)[C@H](OC)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000481526165 994357835 /nfs/dbraw/zinc/35/78/35/994357835.db2.gz FJFLIYAYVYBCDC-RBZFPXEDSA-N 0 1 421.881 3.951 20 5 HHBDMN CN(Cc1cc(Br)ccc1F)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000481850721 994707598 /nfs/dbraw/zinc/70/75/98/994707598.db2.gz AVZYJBPRBCGPBY-UHFFFAOYSA-N 0 1 407.199 3.645 20 5 HHBDMN COc1cccc([C@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)CCN2C2CC2)c1 ZINC000482007036 994912504 /nfs/dbraw/zinc/91/25/04/994912504.db2.gz GHCFCUBVUSKEKM-UXHICEINSA-N 0 1 415.877 3.965 20 5 HHBDMN COc1cccc([C@H]2[C@@H](NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)CCN2C2CC2)c1 ZINC000482017345 994926904 /nfs/dbraw/zinc/92/69/04/994926904.db2.gz VKHHMHRVQNVEBA-UNMCSNQZSA-N 0 1 420.469 3.793 20 5 HHBDMN CCN(C)C(=O)[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000474020217 995011139 /nfs/dbraw/zinc/01/11/39/995011139.db2.gz XFCLQWCIQSHUKI-NSHDSACASA-N 0 1 410.268 3.574 20 5 HHBDMN COc1cccc([C@H]2[C@@H](NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CCN2C2CC2)c1 ZINC000482077531 995014075 /nfs/dbraw/zinc/01/40/75/995014075.db2.gz FRNUHDCIYMGVKN-UGKGYDQZSA-N 0 1 420.469 3.793 20 5 HHBDMN COC(=O)COc1ccc(CN[C@H](c2ccc(F)cc2F)C(C)C)cc1[N+](=O)[O-] ZINC000474354234 995333834 /nfs/dbraw/zinc/33/38/34/995333834.db2.gz QUICFYYMIIYPDI-FQEVSTJZSA-N 0 1 408.401 3.912 20 5 HHBDMN COC(=O)COc1ccc(CN[C@H]2CCSc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000474358556 995338835 /nfs/dbraw/zinc/33/88/35/995338835.db2.gz SPRIWTRCUNERJC-HNNXBMFYSA-N 0 1 406.435 3.612 20 5 HHBDMN COC(=O)COc1ccc(CN2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000475122541 995936497 /nfs/dbraw/zinc/93/64/97/995936497.db2.gz VWYQSBQFULELAB-HNAYVOBHSA-N 0 1 414.458 3.738 20 5 HHBDMN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475496100 996179543 /nfs/dbraw/zinc/17/95/43/996179543.db2.gz VARSBCHBVVAMTQ-UHFFFAOYSA-N 0 1 416.821 3.655 20 5 HHBDMN CCOc1cc(N2CCN(Cc3cc(-n4ccnc4)cs3)CC2)ccc1[N+](=O)[O-] ZINC000475513877 996193677 /nfs/dbraw/zinc/19/36/77/996193677.db2.gz VKSASECTUBAEPN-UHFFFAOYSA-N 0 1 413.503 3.563 20 5 HHBDMN C[C@@H]1CCC[C@H](N(Cc2c([N+](=O)[O-])ncn2C)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000475524613 996201347 /nfs/dbraw/zinc/20/13/47/996201347.db2.gz ALWPWINLMBOWFM-VYDXJSESSA-N 0 1 400.479 3.884 20 5 HHBDMN CCOc1ccc([C@H]2CCCN2Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)cc1 ZINC000475584015 996231489 /nfs/dbraw/zinc/23/14/89/996231489.db2.gz XNGKWHHOBZBJFT-LJQANCHMSA-N 0 1 414.458 3.882 20 5 HHBDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CCC(Oc3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC000476185667 996664844 /nfs/dbraw/zinc/66/48/44/996664844.db2.gz BBQKEDGDHKOHOL-OAHLLOKOSA-N 0 1 412.490 3.616 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000476386309 996832476 /nfs/dbraw/zinc/83/24/76/996832476.db2.gz NFZXKTBJHMFERH-UHFFFAOYSA-N 0 1 418.406 3.771 20 5 HHBDMN O=C(CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1C(F)(F)F ZINC000485007820 997372585 /nfs/dbraw/zinc/37/25/85/997372585.db2.gz JBFXZCCQBNMSEK-UHFFFAOYSA-N 0 1 422.407 3.764 20 5 HHBDMN O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000485359149 997782826 /nfs/dbraw/zinc/78/28/26/997782826.db2.gz CRHCAMGVJOQDAB-UHFFFAOYSA-N 0 1 407.361 3.554 20 5 HHBDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477303084 997990856 /nfs/dbraw/zinc/99/08/56/997990856.db2.gz VHOVFVJLQGVIAF-ZIAGYGMSSA-N 0 1 400.483 3.564 20 5 HHBDMN Nc1c(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000485628298 998074355 /nfs/dbraw/zinc/07/43/55/998074355.db2.gz NSYDVCUZHOUFQI-UHFFFAOYSA-N 0 1 400.398 3.881 20 5 HHBDMN COc1ccc2c(c1)[C@H](N(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1)CCO2 ZINC000478032797 998725141 /nfs/dbraw/zinc/72/51/41/998725141.db2.gz YHPXFDAUAQFLGM-HXUWFJFHSA-N 0 1 408.458 3.826 20 5 HHBDMN CCOc1ccc(Br)cc1CN(CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000478055672 998739478 /nfs/dbraw/zinc/73/94/78/998739478.db2.gz VXFYVYWYKAQKRZ-UHFFFAOYSA-N 0 1 409.284 3.617 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486450384 998774992 /nfs/dbraw/zinc/77/49/92/998774992.db2.gz WXGILNXIWPXHBO-VGOFRKELSA-N 0 1 412.490 3.883 20 5 HHBDMN C[C@@H]1CN(CCCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000486455970 998778262 /nfs/dbraw/zinc/77/82/62/998778262.db2.gz DHSDLYHVFRLNLK-CALCHBBNSA-N 0 1 412.490 3.568 20 5 HHBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000486857930 998977124 /nfs/dbraw/zinc/97/71/24/998977124.db2.gz LENQAKGBARQKGO-ZCFIWIBFSA-N 0 1 415.802 3.763 20 5 HHBDMN COc1cc(CN2CC[C@@H](Nc3ccc4ncccc4c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000487203901 999096116 /nfs/dbraw/zinc/09/61/16/999096116.db2.gz DLUICBGKIWMIEK-MRXNPFEDSA-N 0 1 408.458 3.847 20 5 HHBDMN CN(C)Cc1cc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1F ZINC000487315768 999133224 /nfs/dbraw/zinc/13/32/24/999133224.db2.gz BKKWOPWZFABRGA-UHFFFAOYSA-N 0 1 400.454 3.670 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc(-c3nc(C)cs3)c2)cc1[N+](=O)[O-] ZINC000488292072 999425849 /nfs/dbraw/zinc/42/58/49/999425849.db2.gz IFGWWVXCIJVRGQ-UHFFFAOYSA-N 0 1 423.447 3.975 20 5 HHBDMN CC(C)(C)[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000479488458 999440466 /nfs/dbraw/zinc/44/04/66/999440466.db2.gz QDVXJVVLGRHKEC-GXFFZTMASA-N 0 1 411.307 3.774 20 5 HHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n[nH]1 ZINC000489189447 999719158 /nfs/dbraw/zinc/71/91/58/999719158.db2.gz JYOGZVAHDWGREN-NXEZZACHSA-N 0 1 415.372 3.659 20 5 HHBDMN COC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc(Cl)c1F ZINC000480214004 999747181 /nfs/dbraw/zinc/74/71/81/999747181.db2.gz AVXUGNJBRYMVCM-UHFFFAOYSA-N 0 1 416.814 3.592 20 5 HHBDMN COCCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000489549581 999790100 /nfs/dbraw/zinc/79/01/00/999790100.db2.gz NHUDDWHUNAPKPD-UHFFFAOYSA-N 0 1 415.515 3.540 20 5 HHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000489774979 999835920 /nfs/dbraw/zinc/83/59/20/999835920.db2.gz IZDAJOHYYFIHRZ-INIZCTEOSA-N 0 1 411.506 3.750 20 5 HHBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nc2cccc(Cl)c2n1C ZINC000480696576 999861932 /nfs/dbraw/zinc/86/19/32/999861932.db2.gz XWMAYQABJXKQIP-LBPRGKRZSA-N 0 1 401.854 3.642 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1c1nc2ccccc2n1C ZINC000490216726 999912837 /nfs/dbraw/zinc/91/28/37/999912837.db2.gz OCCQOZPJMHHSPP-FQEVSTJZSA-N 0 1 407.474 3.956 20 5 HHBDMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000490268817 999926057 /nfs/dbraw/zinc/92/60/57/999926057.db2.gz DLYMYYIIYURPQZ-UHFFFAOYSA-N 0 1 416.319 3.928 20 5 HHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccnc(SCC(F)(F)F)c1 ZINC000493408991 1000172562 /nfs/dbraw/zinc/17/25/62/1000172562.db2.gz KQSPCYSFNJDQPF-UHFFFAOYSA-N 0 1 424.364 3.682 20 5 HHBDMN COc1cc(CNCc2nc3cccc(C)c3[nH]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493736088 1000188778 /nfs/dbraw/zinc/18/87/78/1000188778.db2.gz MWYPOKSLTWNNPP-UHFFFAOYSA-N 0 1 406.389 3.722 20 5 HHBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Br)cs1 ZINC000494759600 1000638343 /nfs/dbraw/zinc/63/83/43/1000638343.db2.gz ISVSTFFRRPWRHJ-JTQLQIEISA-N 0 1 419.322 3.543 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C(C)C)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000505284015 1000669782 /nfs/dbraw/zinc/66/97/82/1000669782.db2.gz SKHXCRARAMOMDY-UHFFFAOYSA-N 0 1 417.487 3.717 20 5 HHBDMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000495009052 1000776471 /nfs/dbraw/zinc/77/64/71/1000776471.db2.gz SUCKJEWVEUKEFV-UHFFFAOYSA-N 0 1 417.878 3.662 20 5 HHBDMN COc1ccccc1SC[C@H](C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000505547900 1000893843 /nfs/dbraw/zinc/89/38/43/1000893843.db2.gz WEZQEQGBPILHMX-GFCCVEGCSA-N 0 1 400.460 3.638 20 5 HHBDMN CCOC(=O)c1sc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000505747312 1001004531 /nfs/dbraw/zinc/00/45/31/1001004531.db2.gz IUUQTQIGUUUQOW-UHFFFAOYSA-N 0 1 413.411 3.853 20 5 HHBDMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000505807132 1001036541 /nfs/dbraw/zinc/03/65/41/1001036541.db2.gz PAWMFFOFHIXCDW-UHFFFAOYSA-N 0 1 402.476 3.723 20 5 HHBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000497190335 1001279732 /nfs/dbraw/zinc/27/97/32/1001279732.db2.gz GBCSYZGYPNDVOS-LJQANCHMSA-N 0 1 416.441 3.767 20 5 HHBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000497190335 1001279738 /nfs/dbraw/zinc/27/97/38/1001279738.db2.gz GBCSYZGYPNDVOS-LJQANCHMSA-N 0 1 416.441 3.767 20 5 HHBDMN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000497427873 1001359224 /nfs/dbraw/zinc/35/92/24/1001359224.db2.gz HDWMCYUQNPEDNK-ZWKOTPCHSA-N 0 1 408.483 3.546 20 5 HHBDMN CN(Cc1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)c1cccs1 ZINC000506494982 1001439202 /nfs/dbraw/zinc/43/92/02/1001439202.db2.gz NOZDPPGEBGROPN-UHFFFAOYSA-N 0 1 411.439 3.886 20 5 HHBDMN COc1cc(CN(C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506568152 1001461209 /nfs/dbraw/zinc/46/12/09/1001461209.db2.gz MBJGAWZUEOBJSL-LBPRGKRZSA-N 0 1 404.385 3.545 20 5 HHBDMN COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)N2CCCC2)cc1 ZINC000497757253 1001505843 /nfs/dbraw/zinc/50/58/43/1001505843.db2.gz DNZJNLXUOISITN-NRFANRHFSA-N 0 1 420.469 3.719 20 5 HHBDMN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507334454 1002006701 /nfs/dbraw/zinc/00/67/01/1002006701.db2.gz HKBQNJVBQVLVOB-HWPZZCPQSA-N 0 1 409.236 3.569 20 5 HHBDMN CC(C)N1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000507354589 1002018271 /nfs/dbraw/zinc/01/82/71/1002018271.db2.gz BGUQBHNZTXWMKR-MOPGFXCFSA-N 0 1 405.401 3.532 20 5 HHBDMN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000498638208 1002040235 /nfs/dbraw/zinc/04/02/35/1002040235.db2.gz KXTUPARMPJTIPD-UHFFFAOYSA-N 0 1 424.417 3.523 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(F)cc1OC1CCOCC1 ZINC000507607227 1002213088 /nfs/dbraw/zinc/21/30/88/1002213088.db2.gz RXFRRQKDJJWGRB-UHFFFAOYSA-N 0 1 424.450 3.709 20 5 HHBDMN CCCCOc1ccc(OC)cc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000499157183 1002541404 /nfs/dbraw/zinc/54/14/04/1002541404.db2.gz LRPKFCCIPWIYNT-UHFFFAOYSA-N 0 1 408.476 3.767 20 5 HHBDMN CC1(C)CC[C@H](NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000508501566 1002983657 /nfs/dbraw/zinc/98/36/57/1002983657.db2.gz BXGIDFBGEXDQDY-INIZCTEOSA-N 0 1 417.487 3.704 20 5 HHBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)[C@@H](C)CN1Cc1ccccc1 ZINC000500441850 1003720724 /nfs/dbraw/zinc/72/07/24/1003720724.db2.gz ZEVMAUZBLSTSQQ-SJORKVTESA-N 0 1 404.470 3.878 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511840359 1003818282 /nfs/dbraw/zinc/81/82/82/1003818282.db2.gz FOCGSSRAVLCRFP-OAHLLOKOSA-N 0 1 423.391 3.627 20 5 HHBDMN Cc1cc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)ccc1[N+](=O)[O-] ZINC000511847795 1003827012 /nfs/dbraw/zinc/82/70/12/1003827012.db2.gz SCYLIDPIABXBRP-KRWDZBQOSA-N 0 1 407.392 3.926 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000511871954 1003851428 /nfs/dbraw/zinc/85/14/28/1003851428.db2.gz GGQSVNYVIMPSAV-NJDAHSKKSA-N 0 1 400.500 3.637 20 5 HHBDMN CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000512067072 1003996297 /nfs/dbraw/zinc/99/62/97/1003996297.db2.gz KGBNMXXBDNVZIP-GOSISDBHSA-N 0 1 401.463 3.696 20 5 HHBDMN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512193359 1004094530 /nfs/dbraw/zinc/09/45/30/1004094530.db2.gz DQLHPXPHQKBONH-CQSZACIVSA-N 0 1 415.471 3.695 20 5 HHBDMN CCN([C@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000509788605 1004097699 /nfs/dbraw/zinc/09/76/99/1004097699.db2.gz KDTCQPHXOAKNDG-HKUYNNGSSA-N 0 1 417.531 3.749 20 5 HHBDMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000512283366 1004185540 /nfs/dbraw/zinc/18/55/40/1004185540.db2.gz YVQCWAMIAKJIQJ-MRXNPFEDSA-N 0 1 414.481 3.675 20 5 HHBDMN COc1cc(CN2CCC(n3cncn3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000512350070 1004237712 /nfs/dbraw/zinc/23/77/12/1004237712.db2.gz GPMFITWZCPKJRM-UHFFFAOYSA-N 0 1 423.473 3.611 20 5 HHBDMN O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000512495138 1004342816 /nfs/dbraw/zinc/34/28/16/1004342816.db2.gz WPTCGWNBHUACCA-ZDUSSCGKSA-N 0 1 406.263 3.935 20 5 HHBDMN C[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C[C@@H]1C ZINC000501634651 1004567845 /nfs/dbraw/zinc/56/78/45/1004567845.db2.gz ZZNLNNGNNJOFNC-CABCVRRESA-N 0 1 417.487 3.514 20 5 HHBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000501770939 1004709495 /nfs/dbraw/zinc/70/94/95/1004709495.db2.gz REFZHRCVXIWDPX-DLBZAZTESA-N 0 1 407.474 3.740 20 5 HHBDMN Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000501974307 1004839996 /nfs/dbraw/zinc/83/99/96/1004839996.db2.gz UEKJYUWPDIYYDQ-CVEARBPZSA-N 0 1 423.473 3.781 20 5 HHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CSc2nc3n[nH]cc3c(=O)[nH]2)cc1OC ZINC000513578673 1005033440 /nfs/dbraw/zinc/03/34/40/1005033440.db2.gz DRRXVVUAJKXSLY-JTQLQIEISA-N 0 1 419.463 3.693 20 5 HHBDMN COc1cc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000511600119 1005240555 /nfs/dbraw/zinc/24/05/55/1005240555.db2.gz RGVSQEZWCNPOOI-QGZVFWFLSA-N 0 1 403.504 3.868 20 5 HHBDMN Cn1ccnc1[C@H](NCC1(c2ccccc2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000514088809 1005260408 /nfs/dbraw/zinc/26/04/08/1005260408.db2.gz NGEYIEWTMNRVDK-OAQYLSRUSA-N 0 1 406.486 3.756 20 5 HHBDMN CCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000502933937 1005281278 /nfs/dbraw/zinc/28/12/78/1005281278.db2.gz DOYRCCJSFXFYNP-QGZVFWFLSA-N 0 1 412.490 3.971 20 5 HHBDMN O=[N+]([O-])c1c(Sc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)ccc2ncccc21 ZINC000503274777 1005381968 /nfs/dbraw/zinc/38/19/68/1005381968.db2.gz IPRONYIWHUGSEL-UHFFFAOYSA-N 0 1 407.411 3.851 20 5 HHBDMN O=C(CN(C1CC1)[C@@H]1CCCc2ccccc21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000503569618 1005455280 /nfs/dbraw/zinc/45/52/80/1005455280.db2.gz UYEGLJZFZALKMS-GOSISDBHSA-N 0 1 409.442 3.804 20 5 HHBDMN CCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000504226788 1005577466 /nfs/dbraw/zinc/57/74/66/1005577466.db2.gz CVZWAWOEQMTTRT-AWEZNQCLSA-N 0 1 409.446 3.741 20 5 HHBDMN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)cc(Br)c1O ZINC000531134024 1006010890 /nfs/dbraw/zinc/01/08/90/1006010890.db2.gz GOJMDKDIHYWCAM-UHFFFAOYSA-N 0 1 401.600 3.734 20 5 HHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000531204559 1006045179 /nfs/dbraw/zinc/04/51/79/1006045179.db2.gz HLVWQDMWTTYYRK-JKSUJKDBSA-N 0 1 410.474 3.708 20 5 HHBDMN CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cc1OC ZINC000531306818 1006107037 /nfs/dbraw/zinc/10/70/37/1006107037.db2.gz MYAVDKXJDMQUCS-KRWDZBQOSA-N 0 1 421.881 3.688 20 5 HHBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000534134666 1006114545 /nfs/dbraw/zinc/11/45/45/1006114545.db2.gz NAMRCRWYFPASLE-OAHLLOKOSA-N 0 1 412.273 3.607 20 5 HHBDMN CC[C@@H](NCc1ccccc1CS(=O)(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000531702738 1006364729 /nfs/dbraw/zinc/36/47/29/1006364729.db2.gz RLFJAPWLDDLTEX-HXUWFJFHSA-N 0 1 405.520 3.664 20 5 HHBDMN Cc1nc2ccccc2n1C[C@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000534473917 1006460907 /nfs/dbraw/zinc/46/09/07/1006460907.db2.gz KABAMGMPAZLXSC-GOSISDBHSA-N 0 1 407.474 3.664 20 5 HHBDMN Cc1nc2ccccc2n1C[C@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000534475000 1006462335 /nfs/dbraw/zinc/46/23/35/1006462335.db2.gz ULNGXQUFSRSAPQ-GOSISDBHSA-N 0 1 418.457 3.968 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN([C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000534952170 1006996768 /nfs/dbraw/zinc/99/67/68/1006996768.db2.gz UDISZYOZXQJDQE-HZPDHXFCSA-N 0 1 407.474 3.986 20 5 HHBDMN CN(CCN1CCCC1=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538730160 1007010228 /nfs/dbraw/zinc/01/02/28/1007010228.db2.gz LEBARBLRJQVDRJ-UHFFFAOYSA-N 0 1 419.485 3.502 20 5 HHBDMN COC[C@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000532737658 1007147804 /nfs/dbraw/zinc/14/78/04/1007147804.db2.gz VMHMWFMLRNNLDL-RBUKOAKNSA-N 0 1 403.866 3.943 20 5 HHBDMN COc1ccc(Cl)cc1CN(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000532899743 1007276176 /nfs/dbraw/zinc/27/61/76/1007276176.db2.gz BOLQWLCTPINTGU-UHFFFAOYSA-N 0 1 405.838 3.687 20 5 HHBDMN C[C@H](NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000539046177 1007342865 /nfs/dbraw/zinc/34/28/65/1007342865.db2.gz HUEJISQTGBNPPG-NSHDSACASA-N 0 1 402.252 3.993 20 5 HHBDMN C[C@H](NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000539046177 1007342877 /nfs/dbraw/zinc/34/28/77/1007342877.db2.gz HUEJISQTGBNPPG-NSHDSACASA-N 0 1 402.252 3.993 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CN(c1nccs1)C2 ZINC000535343148 1007397252 /nfs/dbraw/zinc/39/72/52/1007397252.db2.gz DFCOFMWNXMUWGF-UHFFFAOYSA-N 0 1 416.484 3.681 20 5 HHBDMN O=C(Nc1ccccc1)c1cccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000533058563 1007421248 /nfs/dbraw/zinc/42/12/48/1007421248.db2.gz NZPVKKXDTAJCHL-FQEVSTJZSA-N 0 1 417.469 3.929 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000533062926 1007424866 /nfs/dbraw/zinc/42/48/66/1007424866.db2.gz IUXUBQQSJKXXNH-UHFFFAOYSA-N 0 1 403.866 3.791 20 5 HHBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000535406029 1007473837 /nfs/dbraw/zinc/47/38/37/1007473837.db2.gz WODRAONHUBETJD-UHFFFAOYSA-N 0 1 416.909 3.755 20 5 HHBDMN C[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000539224426 1007516092 /nfs/dbraw/zinc/51/60/92/1007516092.db2.gz GYVBGOOKECDPND-CYBMUJFWSA-N 0 1 403.866 3.756 20 5 HHBDMN CCOc1ccc([C@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1OCC ZINC000539266886 1007562409 /nfs/dbraw/zinc/56/24/09/1007562409.db2.gz CLQHCYRHMKEBRB-HNNXBMFYSA-N 0 1 413.474 3.632 20 5 HHBDMN CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCN(c2ccccc2)C1=O ZINC000533295814 1007611899 /nfs/dbraw/zinc/61/18/99/1007611899.db2.gz TTZGFESLNXCAFG-FQEVSTJZSA-N 0 1 420.469 3.920 20 5 HHBDMN CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCN(c2ccccc2)C1=O ZINC000533295814 1007611904 /nfs/dbraw/zinc/61/19/04/1007611904.db2.gz TTZGFESLNXCAFG-FQEVSTJZSA-N 0 1 420.469 3.920 20 5 HHBDMN COc1cc(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000539379753 1007684343 /nfs/dbraw/zinc/68/43/43/1007684343.db2.gz QZERWUGKVLMZAC-GFCCVEGCSA-N 0 1 407.854 3.863 20 5 HHBDMN CCOc1ccc([C@@H](C)NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000539381391 1007685478 /nfs/dbraw/zinc/68/54/78/1007685478.db2.gz VUDDQTYIGKLQLS-JKSUJKDBSA-N 0 1 415.490 3.839 20 5 HHBDMN CN1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535670122 1007688494 /nfs/dbraw/zinc/68/84/94/1007688494.db2.gz AGLNGQVULOVQLD-MGPUTAFESA-N 0 1 405.857 3.739 20 5 HHBDMN CC(C)[C@@H](CO)N(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000533478701 1007785186 /nfs/dbraw/zinc/78/51/86/1007785186.db2.gz QNCZLABIXYBWRG-LJQANCHMSA-N 0 1 405.882 3.706 20 5 HHBDMN NC(=O)c1ccc(CNC2(c3ccc(Br)cc3)CCC2)c([N+](=O)[O-])c1 ZINC000533490304 1007801571 /nfs/dbraw/zinc/80/15/71/1007801571.db2.gz LWBQDEIHRFZYRO-UHFFFAOYSA-N 0 1 404.264 3.625 20 5 HHBDMN CCOC(=O)c1oc2ccccc2c1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533516577 1007835815 /nfs/dbraw/zinc/83/58/15/1007835815.db2.gz TXMDYMJZKGDFQE-AWEZNQCLSA-N 0 1 410.430 3.599 20 5 HHBDMN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000533636390 1007943507 /nfs/dbraw/zinc/94/35/07/1007943507.db2.gz MLIZLXQLSXNXNY-JOYOIKCWSA-N 0 1 417.270 3.745 20 5 HHBDMN Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000535965736 1008002548 /nfs/dbraw/zinc/00/25/48/1008002548.db2.gz IMIQBPMMMAKLOV-SFHVURJKSA-N 0 1 408.458 3.784 20 5 HHBDMN CC1CCN(c2ccc(C(=O)Nc3ccccc3-c3nnc[nH]3)cc2[N+](=O)[O-])CC1 ZINC000539996043 1008226179 /nfs/dbraw/zinc/22/61/79/1008226179.db2.gz CQMJHEGCVZVWMB-UHFFFAOYSA-N 0 1 406.446 3.869 20 5 HHBDMN C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000518427610 1008300560 /nfs/dbraw/zinc/30/05/60/1008300560.db2.gz CZINYLCPAIFVBQ-GTNSWQLSSA-N 0 1 400.822 3.727 20 5 HHBDMN O=C(N[C@H]1C[C@H]1c1cccc(Br)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518613305 1008365597 /nfs/dbraw/zinc/36/55/97/1008365597.db2.gz YKKAJQMQFHOXOH-WFASDCNBSA-N 0 1 401.220 3.520 20 5 HHBDMN COc1ccc(S(=O)(=O)[N-]c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000540335494 1008385738 /nfs/dbraw/zinc/38/57/38/1008385738.db2.gz GBPLJCCKGCKNAH-HNNXBMFYSA-N 0 1 419.503 3.636 20 5 HHBDMN COc1ccc(S(=O)(=O)[N-]c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000540335494 1008385741 /nfs/dbraw/zinc/38/57/41/1008385741.db2.gz GBPLJCCKGCKNAH-HNNXBMFYSA-N 0 1 419.503 3.636 20 5 HHBDMN CC(C)[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000540343719 1008390306 /nfs/dbraw/zinc/39/03/06/1008390306.db2.gz GSMZAGUFPXQSPA-HXUWFJFHSA-N 0 1 419.865 3.945 20 5 HHBDMN CCCOc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000540352561 1008394410 /nfs/dbraw/zinc/39/44/10/1008394410.db2.gz PQDKVQLSOIGCEX-OAHLLOKOSA-N 0 1 401.463 3.990 20 5 HHBDMN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000540354690 1008396235 /nfs/dbraw/zinc/39/62/35/1008396235.db2.gz RTJGPFMJRXFIIE-GFCCVEGCSA-N 0 1 416.865 3.886 20 5 HHBDMN COc1cc([C@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(C)C ZINC000518791276 1008422145 /nfs/dbraw/zinc/42/21/45/1008422145.db2.gz GVLYISZNNNSQHH-KXBFYZLASA-N 0 1 413.474 3.847 20 5 HHBDMN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000518833128 1008437903 /nfs/dbraw/zinc/43/79/03/1008437903.db2.gz ZOXDDCVVNIXGEX-SJKOYZFVSA-N 0 1 409.845 3.574 20 5 HHBDMN Cc1cc(C(=O)NCC(=O)Nc2cccc3c2CN(CCC(C)C)C3)ccc1[N+](=O)[O-] ZINC000542982606 1008559503 /nfs/dbraw/zinc/55/95/03/1008559503.db2.gz RIJPIAADSYSZEE-UHFFFAOYSA-N 0 1 424.501 3.633 20 5 HHBDMN COc1ccc(OCCN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])c1 ZINC000542985552 1008564123 /nfs/dbraw/zinc/56/41/23/1008564123.db2.gz BTFBAPQWFXBLDO-ZDUSSCGKSA-N 0 1 414.384 3.535 20 5 HHBDMN CCCc1c(Nc2nccc(C(=O)OCC)c2[N+](=O)[O-])cnn1-c1cc(C)ccn1 ZINC000545474979 1008581515 /nfs/dbraw/zinc/58/15/15/1008581515.db2.gz VPRLPKXAURCYCG-UHFFFAOYSA-N 0 1 410.434 3.752 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1C ZINC000519201838 1008605989 /nfs/dbraw/zinc/60/59/89/1008605989.db2.gz JZQQIUFRLUBADL-CQSZACIVSA-N 0 1 419.503 3.795 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000543118373 1008691347 /nfs/dbraw/zinc/69/13/47/1008691347.db2.gz GKUFPUMKSXCWMA-ZDUSSCGKSA-N 0 1 406.851 3.565 20 5 HHBDMN Cc1cc(-c2nc(C3CC3)no2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543163137 1008737555 /nfs/dbraw/zinc/73/75/55/1008737555.db2.gz BROBXFZMKYEOAR-UHFFFAOYSA-N 0 1 400.416 3.631 20 5 HHBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 ZINC000543182798 1008756556 /nfs/dbraw/zinc/75/65/56/1008756556.db2.gz YMBFVQNKGVGFSB-INIZCTEOSA-N 0 1 411.483 3.781 20 5 HHBDMN CCN([C@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000519891684 1009058439 /nfs/dbraw/zinc/05/84/39/1009058439.db2.gz NNKOJGSFMKMHFQ-RDJZCZTQSA-N 0 1 421.494 3.580 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3F)CCN2C2CC2)c1 ZINC000543640929 1009245142 /nfs/dbraw/zinc/24/51/42/1009245142.db2.gz ACZQHBFSLJHNOI-VQTJNVASSA-N 0 1 414.437 3.842 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000543645024 1009250135 /nfs/dbraw/zinc/25/01/35/1009250135.db2.gz XJNFQBHEKOEOPS-GASCZTMLSA-N 0 1 419.503 3.626 20 5 HHBDMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000520229943 1009354588 /nfs/dbraw/zinc/35/45/88/1009354588.db2.gz YKDPCRUUQZSWGN-UHFFFAOYSA-N 0 1 403.402 3.572 20 5 HHBDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000549919450 1009537391 /nfs/dbraw/zinc/53/73/91/1009537391.db2.gz JHJHAJFYMWVJSG-BEWDEPOQSA-N 0 1 403.523 3.984 20 5 HHBDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000549919457 1009538325 /nfs/dbraw/zinc/53/83/25/1009538325.db2.gz JHJHAJFYMWVJSG-RTOVEXDRSA-N 0 1 403.523 3.984 20 5 HHBDMN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000520445582 1009558823 /nfs/dbraw/zinc/55/88/23/1009558823.db2.gz DVWAKVAYSOJQKI-MRXNPFEDSA-N 0 1 417.893 3.750 20 5 HHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2Cc2c(F)cccc2Cl)c1 ZINC000520524006 1009613866 /nfs/dbraw/zinc/61/38/66/1009613866.db2.gz XMFPVKWBIAHOSZ-ZBFHGGJFSA-N 0 1 408.857 3.834 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1Sc1nccn1C ZINC000520627637 1009704592 /nfs/dbraw/zinc/70/45/92/1009704592.db2.gz QHBSYPARRFVUAB-UHFFFAOYSA-N 0 1 404.473 3.589 20 5 HHBDMN COc1ccccc1[C@H](CC(C)C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544117777 1009726472 /nfs/dbraw/zinc/72/64/72/1009726472.db2.gz SDOIIWAALBIUSY-IBGZPJMESA-N 0 1 406.504 3.754 20 5 HHBDMN COc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1Cl ZINC000520874013 1009927575 /nfs/dbraw/zinc/92/75/75/1009927575.db2.gz XLGMOLXQTXNFAD-UHFFFAOYSA-N 0 1 421.656 3.820 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000544369025 1009997318 /nfs/dbraw/zinc/99/73/18/1009997318.db2.gz WFVXIXBGTQGSAG-LBPRGKRZSA-N 0 1 422.279 3.873 20 5 HHBDMN O=C(c1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1)N1CCOCC1 ZINC000520961978 1010008694 /nfs/dbraw/zinc/00/86/94/1010008694.db2.gz LEVWLFQNOOAVTN-UHFFFAOYSA-N 0 1 421.453 3.617 20 5 HHBDMN CN1CCN(c2ccccc2-c2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)CC1 ZINC000547123347 1010075888 /nfs/dbraw/zinc/07/58/88/1010075888.db2.gz LGXDBUAHMFZXKF-VQHVLOKHSA-N 0 1 409.421 3.706 20 5 HHBDMN COc1ccc(CN2CCCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000544462777 1010086866 /nfs/dbraw/zinc/08/68/66/1010086866.db2.gz BTIQPQBMYMNTEN-MRXNPFEDSA-N 0 1 415.465 3.581 20 5 HHBDMN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000521078629 1010095500 /nfs/dbraw/zinc/09/55/00/1010095500.db2.gz XZYOEIGFHJAPLZ-UHFFFAOYSA-N 0 1 401.386 3.771 20 5 HHBDMN COc1ccc([C@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)N2CCCC2)cc1 ZINC000544532688 1010161564 /nfs/dbraw/zinc/16/15/64/1010161564.db2.gz LCVFZYVPBZHUNU-VFNWGFHPSA-N 0 1 415.465 3.799 20 5 HHBDMN COc1ccc(CN[C@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000544575391 1010204049 /nfs/dbraw/zinc/20/40/49/1010204049.db2.gz GWZONNFNEQMBLE-RXVVDRJESA-N 0 1 418.515 3.787 20 5 HHBDMN Cc1c(NC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000521205899 1010229067 /nfs/dbraw/zinc/22/90/67/1010229067.db2.gz JVGQBSFZLRKPHY-OAHLLOKOSA-N 0 1 415.469 3.677 20 5 HHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000551346334 1010529679 /nfs/dbraw/zinc/52/96/79/1010529679.db2.gz USRCQHLWWBBELK-UHFFFAOYSA-N 0 1 409.284 3.959 20 5 HHBDMN CN1CCN(c2cccc(-c3noc(-c4cc5cc([N+](=O)[O-])ccc5s4)n3)n2)CC1 ZINC000545127831 1010632873 /nfs/dbraw/zinc/63/28/73/1010632873.db2.gz TYNJTEGSAPTZHP-UHFFFAOYSA-N 0 1 422.470 3.673 20 5 HHBDMN CC[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN1Cc1ccccc1 ZINC000545397515 1010772626 /nfs/dbraw/zinc/77/26/26/1010772626.db2.gz OZSCMOSLFRWUJS-LJQANCHMSA-N 0 1 407.474 3.741 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000522363005 1010958308 /nfs/dbraw/zinc/95/83/08/1010958308.db2.gz MIHNVTRAGGLPLK-HNNXBMFYSA-N 0 1 417.487 3.719 20 5 HHBDMN O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000540600146 1011254605 /nfs/dbraw/zinc/25/46/05/1011254605.db2.gz CIDHLOSUEBJQGX-UHFFFAOYSA-N 0 1 422.485 3.639 20 5 HHBDMN CCOc1ccc([C@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cc1[N+](=O)[O-] ZINC000540749364 1011401837 /nfs/dbraw/zinc/40/18/37/1011401837.db2.gz BVLITTSGGWZMCG-HNAYVOBHSA-N 0 1 412.490 3.616 20 5 HHBDMN Cc1c(Br)cc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000536349792 1011556654 /nfs/dbraw/zinc/55/66/54/1011556654.db2.gz QYDYCAJETQCGOD-FUHWJXTLSA-N 0 1 418.291 3.841 20 5 HHBDMN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCSc2ccc(Br)cc21 ZINC000536377578 1011585431 /nfs/dbraw/zinc/58/54/31/1011585431.db2.gz HKTWLFIMAVYURY-OAHLLOKOSA-N 0 1 424.320 3.688 20 5 HHBDMN CCc1cnccc1[C@H](C)NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000541194631 1011865292 /nfs/dbraw/zinc/86/52/92/1011865292.db2.gz HKRPTWUWBBEOST-ZDUSSCGKSA-N 0 1 411.487 3.965 20 5 HHBDMN Cc1ccc([C@@H](C)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cc1[N+](=O)[O-] ZINC000551811816 1011969519 /nfs/dbraw/zinc/96/95/19/1011969519.db2.gz HCHQVFDINMQVTK-IQMFZBJNSA-N 0 1 422.485 3.979 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000541281150 1011974048 /nfs/dbraw/zinc/97/40/48/1011974048.db2.gz DMSNZAGYZROXDY-QGZVFWFLSA-N 0 1 411.433 3.744 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000536806271 1012028835 /nfs/dbraw/zinc/02/88/35/1012028835.db2.gz KXFPFYCWXSKOFX-INIZCTEOSA-N 0 1 403.504 3.539 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000536867712 1012106947 /nfs/dbraw/zinc/10/69/47/1012106947.db2.gz FNRJNTWIFOEXSL-JOCLIGHLSA-N 0 1 409.486 3.801 20 5 HHBDMN Cn1ccnc1[C@@H](N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000552223999 1012236738 /nfs/dbraw/zinc/23/67/38/1012236738.db2.gz BCMKZATXQQULKT-UNMCSNQZSA-N 0 1 405.502 3.672 20 5 HHBDMN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000537000183 1012301338 /nfs/dbraw/zinc/30/13/38/1012301338.db2.gz RYIVTMFEQLPSDD-JTQLQIEISA-N 0 1 417.372 3.533 20 5 HHBDMN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(OCC2CC2)c(F)c1 ZINC000537122941 1012504201 /nfs/dbraw/zinc/50/42/01/1012504201.db2.gz VURHNCRFTFIUEY-AWEZNQCLSA-N 0 1 413.449 3.763 20 5 HHBDMN CC(C)(C)[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(F)c1 ZINC000537123628 1012506932 /nfs/dbraw/zinc/50/69/32/1012506932.db2.gz AIXBOMNOXBPUFU-IBGZPJMESA-N 0 1 403.410 3.778 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000537162942 1012563780 /nfs/dbraw/zinc/56/37/80/1012563780.db2.gz MJZCGJWFZRTYST-OAHLLOKOSA-N 0 1 414.487 3.656 20 5 HHBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2cccc(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000537175839 1012582968 /nfs/dbraw/zinc/58/29/68/1012582968.db2.gz CWCBUPHIKZFZGC-INIZCTEOSA-N 0 1 412.490 3.883 20 5 HHBDMN Cc1ccc(-c2ncc(CNCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000541760994 1012623301 /nfs/dbraw/zinc/62/33/01/1012623301.db2.gz NWEUBNBXALEFRK-UHFFFAOYSA-N 0 1 417.512 3.590 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000541776546 1012644203 /nfs/dbraw/zinc/64/42/03/1012644203.db2.gz XZSNXYSRNPXMGF-QGZVFWFLSA-N 0 1 409.364 3.697 20 5 HHBDMN O=C(CN[C@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000537290509 1012749151 /nfs/dbraw/zinc/74/91/51/1012749151.db2.gz OHRODPIBXBHTLA-FQEVSTJZSA-N 0 1 417.849 3.699 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000541981840 1012854729 /nfs/dbraw/zinc/85/47/29/1012854729.db2.gz VNOIDGQUWWIPRF-CYBMUJFWSA-N 0 1 412.368 3.674 20 5 HHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000619566097 1071824423 /nfs/dbraw/zinc/82/44/23/1071824423.db2.gz FSWMEHFNRMQDON-INIZCTEOSA-N 0 1 414.487 3.509 20 5 HHBDMN CC(C)(C)OC(=O)NC(C)(C)c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC000904763418 1071888404 /nfs/dbraw/zinc/88/84/04/1071888404.db2.gz FSYLPLFWXTYQGA-UHFFFAOYSA-N 0 1 414.422 3.795 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](Cc3cc(Cl)ccc3OC)C2)c1[N+](=O)[O-] ZINC000571488579 1072637302 /nfs/dbraw/zinc/63/73/02/1072637302.db2.gz OYESVXQGMMQBCP-GFCCVEGCSA-N 0 1 406.870 3.637 20 5 HHBDMN COc1ccc(CN[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000555605692 1073670413 /nfs/dbraw/zinc/67/04/13/1073670413.db2.gz JUILNRCIFJHEJS-RDTXWAMCSA-N 0 1 401.438 3.584 20 5 HHBDMN C[N@@H+]1CCc2[nH]c3ccc(C(=O)Nc4cc(Cl)cc([N+](=O)[O-])c4[O-])cc3c2C1 ZINC000590444806 1073838041 /nfs/dbraw/zinc/83/80/41/1073838041.db2.gz IASDYGUBXILNFB-UHFFFAOYSA-N 0 1 400.822 3.675 20 5 HHBDMN C[N@H+]1CCc2[nH]c3ccc(C(=O)Nc4cc(Cl)cc([N+](=O)[O-])c4[O-])cc3c2C1 ZINC000590444806 1073838048 /nfs/dbraw/zinc/83/80/48/1073838048.db2.gz IASDYGUBXILNFB-UHFFFAOYSA-N 0 1 400.822 3.675 20 5 HHBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC000590556971 1073891628 /nfs/dbraw/zinc/89/16/28/1073891628.db2.gz UMDGOTUHDBIWCA-UHFFFAOYSA-N 0 1 417.429 3.759 20 5 HHBDMN COc1cc(Cc2noc(-c3cc(-c4ccccc4)n[nH]3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000556015954 1074032398 /nfs/dbraw/zinc/03/23/98/1074032398.db2.gz FLZYXLKDGVPGEB-UHFFFAOYSA-N 0 1 407.386 3.643 20 5 HHBDMN Cc1ccc(CN2CCOC3(CCN(c4cc(Cl)ncc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164940910 721922853 /nfs/dbraw/zinc/92/28/53/721922853.db2.gz WGTCZEYVGGMBQF-UHFFFAOYSA-N 0 1 416.909 3.823 20 5 HHBDMN CN(C)[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)c1ccccc1 ZINC000301186009 970794911 /nfs/dbraw/zinc/79/49/11/970794911.db2.gz PJCRSCGSCQRKEQ-GOSISDBHSA-N 0 1 413.865 3.509 20 5 HHBDMN C[C@@H]1C[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000301611803 971002173 /nfs/dbraw/zinc/00/21/73/971002173.db2.gz FBXNIDGXMOTHCH-APWZRJJASA-N 0 1 419.485 3.634 20 5 HHBDMN C[C@H]1CCCN(Cc2ccccc2CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301939006 971126223 /nfs/dbraw/zinc/12/62/23/971126223.db2.gz SOUUZVDAWPYIQQ-AWEZNQCLSA-N 0 1 423.560 3.904 20 5 HHBDMN Cc1cc(N2CCCN(C(=O)c3ccc(F)cc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302177071 971197205 /nfs/dbraw/zinc/19/72/05/971197205.db2.gz NBJKVKWWULNUCJ-UHFFFAOYSA-N 0 1 408.433 3.943 20 5 HHBDMN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000302673200 971276284 /nfs/dbraw/zinc/27/62/84/971276284.db2.gz SMGUNVWGQIHAMD-AYHJJNSGSA-N 0 1 415.515 3.606 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN(c4ccc([N+](=O)[O-])cc4S(C)(=O)=O)C3)[nH]c2c1 ZINC000302773148 971314293 /nfs/dbraw/zinc/31/42/93/971314293.db2.gz NQMLOOHTRWWREU-CQSZACIVSA-N 0 1 414.487 3.567 20 5 HHBDMN CC1(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CCCCC1 ZINC000302946691 971412262 /nfs/dbraw/zinc/41/22/62/971412262.db2.gz CTFSVQBOOBGBEB-UHFFFAOYSA-N 0 1 417.487 3.848 20 5 HHBDMN O=C(CN(CCCO)[C@H]1CCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000303575158 971866709 /nfs/dbraw/zinc/86/67/09/971866709.db2.gz PRBPFYSQWXCURW-IBGZPJMESA-N 0 1 403.866 3.559 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cc1C ZINC000303649632 971929083 /nfs/dbraw/zinc/92/90/83/971929083.db2.gz JZKUOVFUVVGUFK-KRWDZBQOSA-N 0 1 417.531 3.716 20 5 HHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000303739266 971993240 /nfs/dbraw/zinc/99/32/40/971993240.db2.gz HVPMNXPNARCTJD-ZBFHGGJFSA-N 0 1 419.445 3.628 20 5 HHBDMN CN(Cc1ccccc1)C1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000553171291 1013132325 /nfs/dbraw/zinc/13/23/25/1013132325.db2.gz UJFUPXCPZVBUNH-UHFFFAOYSA-N 0 1 402.454 3.613 20 5 HHBDMN C[C@@H](Sc1nc(-c2cc(F)cc(F)c2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000303907486 972478210 /nfs/dbraw/zinc/47/82/10/972478210.db2.gz MFBVZSCJKIYZOC-SECBINFHSA-N 0 1 405.386 3.777 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000303931880 972511404 /nfs/dbraw/zinc/51/14/04/972511404.db2.gz QSXRNQSYSQVALZ-UHFFFAOYSA-N 0 1 405.386 3.697 20 5 HHBDMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004877781 960621851 /nfs/dbraw/zinc/62/18/51/960621851.db2.gz FMVZCWFGHGYREP-UHFFFAOYSA-N 0 1 407.814 3.903 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000010447131 961824533 /nfs/dbraw/zinc/82/45/33/961824533.db2.gz XXNFEZCFKJEGOY-HXUWFJFHSA-N 0 1 413.474 3.569 20 5 HHBDMN COc1cc(OC)c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1Cl ZINC000015244312 962697255 /nfs/dbraw/zinc/69/72/55/962697255.db2.gz GMYOPIPSYCFPTP-UHFFFAOYSA-N 0 1 400.840 3.683 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000015272492 962704332 /nfs/dbraw/zinc/70/43/32/962704332.db2.gz MZPGMPWGLKSKSN-UHFFFAOYSA-N 0 1 417.487 3.720 20 5 HHBDMN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000023388788 963815536 /nfs/dbraw/zinc/81/55/36/963815536.db2.gz JEIIXOCVWKMPQK-JOCHJYFZSA-N 0 1 402.410 3.756 20 5 HHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)cc1[N+](=O)[O-] ZINC000024576183 964024246 /nfs/dbraw/zinc/02/42/46/964024246.db2.gz SOKURKXELIHVHP-UHFFFAOYSA-N 0 1 420.834 3.940 20 5 HHBDMN O=C(CN1CCCN(Cc2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000025072292 964164122 /nfs/dbraw/zinc/16/41/22/964164122.db2.gz ZWBBAJSEOHVASH-UHFFFAOYSA-N 0 1 420.872 3.534 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1cc(F)c(C(F)(F)F)cc1F ZINC000553577040 1013473678 /nfs/dbraw/zinc/47/36/78/1013473678.db2.gz NWSRNDHHJWVJEE-UHFFFAOYSA-N 0 1 414.283 3.509 20 5 HHBDMN Cc1nc([C@@H](C)NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n[nH]1 ZINC000553635026 1013512005 /nfs/dbraw/zinc/51/20/05/1013512005.db2.gz IABLFKCOWVIWPB-SNVBAGLBSA-N 0 1 401.810 3.958 20 5 HHBDMN COc1ccc2oc([C@@H](C)NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000542582036 1013523143 /nfs/dbraw/zinc/52/31/43/1013523143.db2.gz BNDXAGOMVYAGBT-CQSZACIVSA-N 0 1 418.471 3.783 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@H](C)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000027180181 964814233 /nfs/dbraw/zinc/81/42/33/964814233.db2.gz MYAVNVCRCWAQJC-OAHLLOKOSA-N 0 1 419.503 3.821 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H](C)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000027180187 964814453 /nfs/dbraw/zinc/81/44/53/964814453.db2.gz MYAVNVCRCWAQJC-HNNXBMFYSA-N 0 1 419.503 3.821 20 5 HHBDMN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000028006624 965019812 /nfs/dbraw/zinc/01/98/12/965019812.db2.gz PURTYFLRNLQFBZ-UHFFFAOYSA-N 0 1 418.881 3.651 20 5 HHBDMN C[C@H](Nc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052916316 965021164 /nfs/dbraw/zinc/02/11/64/965021164.db2.gz XUQIDZGSJOQODV-ZDUSSCGKSA-N 0 1 402.414 3.713 20 5 HHBDMN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000057121313 965293690 /nfs/dbraw/zinc/29/36/90/965293690.db2.gz FZBSEERTTATYHY-CYBMUJFWSA-N 0 1 405.476 3.541 20 5 HHBDMN COC(=O)c1ccccc1C(=O)c1ccc(NC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000029412439 965371424 /nfs/dbraw/zinc/37/14/24/965371424.db2.gz XSNGANBSZOOULS-UHFFFAOYSA-N 0 1 423.469 3.651 20 5 HHBDMN O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000057274345 965381756 /nfs/dbraw/zinc/38/17/56/965381756.db2.gz CAVQXZPCGFRYCF-UHFFFAOYSA-N 0 1 417.469 3.564 20 5 HHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000553720735 1013570129 /nfs/dbraw/zinc/57/01/29/1013570129.db2.gz YHOSBYHUXWHPQO-UHFFFAOYSA-N 0 1 411.487 3.832 20 5 HHBDMN CC(C)[C@H](CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000029839971 965518943 /nfs/dbraw/zinc/51/89/43/965518943.db2.gz PYFXCEUBMIZIAA-QFIPXVFZSA-N 0 1 410.518 3.510 20 5 HHBDMN COc1cc(C)c([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000056153850 966236970 /nfs/dbraw/zinc/23/69/70/966236970.db2.gz KGWHGYCQAWNJIM-GJZGRUSLSA-N 0 1 401.463 3.907 20 5 HHBDMN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196043 966254628 /nfs/dbraw/zinc/25/46/28/966254628.db2.gz VXXOEKPKMCNIOE-SOUVJXGZSA-N 0 1 401.463 3.529 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000060919668 966327031 /nfs/dbraw/zinc/32/70/31/966327031.db2.gz JLBJFZGAKBQGHM-QGZVFWFLSA-N 0 1 400.460 3.614 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000061233295 966405159 /nfs/dbraw/zinc/40/51/59/966405159.db2.gz NJMBSNBSZWUJLM-IBGZPJMESA-N 0 1 416.441 3.943 20 5 HHBDMN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000041400612 966557149 /nfs/dbraw/zinc/55/71/49/966557149.db2.gz RWTHXQYJAHWJMJ-GOSISDBHSA-N 0 1 403.866 3.580 20 5 HHBDMN Cc1c(NC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cccc1[N+](=O)[O-] ZINC000043347159 966956638 /nfs/dbraw/zinc/95/66/38/966956638.db2.gz QZQQIHAHIIQFBY-HOTGVXAUSA-N 0 1 412.490 3.834 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000044802656 967292959 /nfs/dbraw/zinc/29/29/59/967292959.db2.gz RXKKTJBPTYVERO-VXGBXAGGSA-N 0 1 409.389 3.883 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000044802653 967293151 /nfs/dbraw/zinc/29/31/51/967293151.db2.gz RXKKTJBPTYVERO-NWDGAFQWSA-N 0 1 409.389 3.883 20 5 HHBDMN NC(=O)c1ccc(CN(Cc2ccc3c(c2)OCO3)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000064805621 967295791 /nfs/dbraw/zinc/29/57/91/967295791.db2.gz IELUIAFBBYTPHV-UHFFFAOYSA-N 0 1 411.458 3.757 20 5 HHBDMN COc1ccc([C@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1Br ZINC000045296309 967408780 /nfs/dbraw/zinc/40/87/80/967408780.db2.gz BXWLRDGHBSXHSV-VIFPVBQESA-N 0 1 419.235 3.733 20 5 HHBDMN CCOc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OCC ZINC000538166357 1013726816 /nfs/dbraw/zinc/72/68/16/1013726816.db2.gz UBMXUZPXXFLJOC-HNNXBMFYSA-N 0 1 401.463 3.990 20 5 HHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000045941683 967603287 /nfs/dbraw/zinc/60/32/87/967603287.db2.gz NROIAOZBBIOCGV-UHFFFAOYSA-N 0 1 410.474 3.591 20 5 HHBDMN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000047261954 968108943 /nfs/dbraw/zinc/10/89/43/968108943.db2.gz OKKIMZZMAMNAEJ-AWEZNQCLSA-N 0 1 419.279 3.603 20 5 HHBDMN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000047261999 968109438 /nfs/dbraw/zinc/10/94/38/968109438.db2.gz JZOMXWFYGRUOKL-CQSZACIVSA-N 0 1 419.279 3.603 20 5 HHBDMN O=C(CN[C@@H](c1ccccc1F)C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000538225637 1013774827 /nfs/dbraw/zinc/77/48/27/1013774827.db2.gz ZAYLCNJDGYXVIM-OAQYLSRUSA-N 0 1 415.421 3.922 20 5 HHBDMN Cc1[nH]c(SCC(=O)N(C)Cc2ccccc2[N+](=O)[O-])nc1Cc1ccccc1 ZINC000047458787 968203014 /nfs/dbraw/zinc/20/30/14/968203014.db2.gz BVNMMJNYNNCKJW-UHFFFAOYSA-N 0 1 410.499 3.968 20 5 HHBDMN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000538276138 1013815499 /nfs/dbraw/zinc/81/54/99/1013815499.db2.gz HKDZRXMQFYAVEX-INIZCTEOSA-N 0 1 412.490 3.675 20 5 HHBDMN CN(Cc1ccccc1)C1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000554146686 1013822585 /nfs/dbraw/zinc/82/25/85/1013822585.db2.gz BZDVKRUPPGMNJP-UHFFFAOYSA-N 0 1 406.389 3.544 20 5 HHBDMN C[C@@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[C@@H](C)O1 ZINC000107926840 969345879 /nfs/dbraw/zinc/34/58/79/969345879.db2.gz CWIMWVBRLGACKS-IAGOWNOFSA-N 0 1 413.474 3.616 20 5 HHBDMN COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)N(C)C ZINC000108313458 969373447 /nfs/dbraw/zinc/37/34/47/969373447.db2.gz KBWDIGSTDWSDHQ-HXUWFJFHSA-N 0 1 412.490 3.554 20 5 HHBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000109480874 969523053 /nfs/dbraw/zinc/52/30/53/969523053.db2.gz YSMVMKXONJVREH-INIZCTEOSA-N 0 1 414.893 3.827 20 5 HHBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(OCC(F)(F)F)cc1 ZINC000140987598 970094593 /nfs/dbraw/zinc/09/45/93/970094593.db2.gz GMUQPRQJRMDMFC-SNVBAGLBSA-N 0 1 408.336 3.903 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000142588826 970162562 /nfs/dbraw/zinc/16/25/62/970162562.db2.gz JLBJFZGAKBQGHM-KRWDZBQOSA-N 0 1 400.460 3.614 20 5 HHBDMN CCCOc1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1OC ZINC000146746239 970308192 /nfs/dbraw/zinc/30/81/92/970308192.db2.gz QFAMISJFNNEDCM-UHFFFAOYSA-N 0 1 414.867 3.524 20 5 HHBDMN Cn1ccnc1C(=O)c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301058640 970726892 /nfs/dbraw/zinc/72/68/92/970726892.db2.gz AXFNYHNMVCSLHV-IBGZPJMESA-N 0 1 419.485 3.636 20 5 HHBDMN Cc1cc(NC2CCN(Cc3ccccn3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301123679 970759348 /nfs/dbraw/zinc/75/93/48/970759348.db2.gz RXLYOLGKOXQIKU-UHFFFAOYSA-N 0 1 404.474 3.832 20 5 HHBDMN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c1 ZINC000318925236 972668155 /nfs/dbraw/zinc/66/81/55/972668155.db2.gz DQTCSQUYKNSZFR-UHFFFAOYSA-N 0 1 409.620 3.951 20 5 HHBDMN CCOc1cc2c(cc1OCC)CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000409848267 973316758 /nfs/dbraw/zinc/31/67/58/973316758.db2.gz IVIFVLJBDZAAGS-UHFFFAOYSA-N 0 1 413.474 3.779 20 5 HHBDMN O=C(CCSc1nc(-c2cc(F)cc(F)c2)n[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000410042902 973525081 /nfs/dbraw/zinc/52/50/81/973525081.db2.gz FOXFSOXRHZEJGB-UHFFFAOYSA-N 0 1 405.386 3.779 20 5 HHBDMN Cc1[nH]nc(C(=O)N2CCC(F)(c3ccccc3OC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000410176267 973670947 /nfs/dbraw/zinc/67/09/47/973670947.db2.gz XIXKWDAFVBRBGL-UHFFFAOYSA-N 0 1 416.331 3.626 20 5 HHBDMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000410318789 973864620 /nfs/dbraw/zinc/86/46/20/973864620.db2.gz ZIVCHQLLSMDUAY-CQSZACIVSA-N 0 1 418.444 3.506 20 5 HHBDMN Cn1cc(CN2CCC[C@H](Oc3ncccc3F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425990943 974103283 /nfs/dbraw/zinc/10/32/83/974103283.db2.gz QJSAPOAHIDJGTN-SFHVURJKSA-N 0 1 411.437 3.573 20 5 HHBDMN CN1CCN(c2ccccc2-c2noc(C(C)(C)c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000426414015 974438107 /nfs/dbraw/zinc/43/81/07/974438107.db2.gz AFKANESWUBOJCX-UHFFFAOYSA-N 0 1 407.474 3.723 20 5 HHBDMN COc1cc(C[NH2+]Cc2cc(C(=O)[O-])co2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426715778 974612299 /nfs/dbraw/zinc/61/22/99/974612299.db2.gz TXRWMLRPIJSJGL-UHFFFAOYSA-N 0 1 412.398 3.763 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000428487332 975786429 /nfs/dbraw/zinc/78/64/29/975786429.db2.gz SMWRTMFKJATAGW-MRXNPFEDSA-N 0 1 403.504 3.636 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000431169917 978070841 /nfs/dbraw/zinc/07/08/41/978070841.db2.gz AKYSAORGBLEERJ-INIZCTEOSA-N 0 1 410.243 3.529 20 5 HHBDMN CC(C)(NC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000431855245 978554389 /nfs/dbraw/zinc/55/43/89/978554389.db2.gz ALVUPMJKRKCVOC-GOSISDBHSA-N 0 1 400.479 3.949 20 5 HHBDMN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433166449 979111008 /nfs/dbraw/zinc/11/10/08/979111008.db2.gz XNOGTQKOFMCVJF-ORAYPTAESA-N 0 1 403.504 3.576 20 5 HHBDMN Cc1ccc([C@@H](C)NC(=O)NCC2(CN3CCOCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000435415813 980850194 /nfs/dbraw/zinc/85/01/94/980850194.db2.gz DDXQABPXMXZZMT-GOSISDBHSA-N 0 1 418.538 3.546 20 5 HHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000435654460 980975817 /nfs/dbraw/zinc/97/58/17/980975817.db2.gz JZNVQVDDZMZDHR-UHFFFAOYSA-N 0 1 418.881 3.651 20 5 HHBDMN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000435692627 980989421 /nfs/dbraw/zinc/98/94/21/980989421.db2.gz HLTRXIRXAZTJKY-SFHVURJKSA-N 0 1 421.457 3.505 20 5 HHBDMN COc1cc(CNCC2([S@](C)=O)CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000435734735 981008665 /nfs/dbraw/zinc/00/86/65/981008665.db2.gz YEVXDMFVSCGVQD-LJAQVGFWSA-N 0 1 418.515 3.573 20 5 HHBDMN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000436140510 981216588 /nfs/dbraw/zinc/21/65/88/981216588.db2.gz ROUPNWFGRFFEHI-ZIAGYGMSSA-N 0 1 413.468 3.810 20 5 HHBDMN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc(C2CCCCC2)no1 ZINC000436178353 981237295 /nfs/dbraw/zinc/23/72/95/981237295.db2.gz MBCXRZCGRNMSDJ-SNVBAGLBSA-N 0 1 414.871 3.718 20 5 HHBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nnc(CN2CCCC2)n1-c1ccccc1 ZINC000436473066 981392546 /nfs/dbraw/zinc/39/25/46/981392546.db2.gz DLMHJINHPNMHJP-UHFFFAOYSA-N 0 1 411.487 3.769 20 5 HHBDMN Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436975062 981660321 /nfs/dbraw/zinc/66/03/21/981660321.db2.gz GHFNHRGZERKYOL-SFHVURJKSA-N 0 1 421.457 3.505 20 5 HHBDMN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000436987389 981669259 /nfs/dbraw/zinc/66/92/59/981669259.db2.gz MEVYSGITQFTEOG-UHFFFAOYSA-N 0 1 415.449 3.828 20 5 HHBDMN CN1CCN(Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2)CC1 ZINC000437226647 981883265 /nfs/dbraw/zinc/88/32/65/981883265.db2.gz IGHCUNAHVVKPDH-UHFFFAOYSA-N 0 1 422.407 3.613 20 5 HHBDMN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4ccccc4OC(F)F)CC3)nc2c1 ZINC000460354735 982127133 /nfs/dbraw/zinc/12/71/33/982127133.db2.gz JJRCASFVAVTCRE-UHFFFAOYSA-N 0 1 417.416 3.785 20 5 HHBDMN CCN(CC)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000438014706 982524704 /nfs/dbraw/zinc/52/47/04/982524704.db2.gz DAUSRYOUXJANBU-LJQANCHMSA-N 0 1 400.479 3.945 20 5 HHBDMN COc1ccc(CN2CC[C@@H](O)C(C)(C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000438346026 982735770 /nfs/dbraw/zinc/73/57/70/982735770.db2.gz KEFPWJCQFWFSAH-OAQYLSRUSA-N 0 1 400.475 3.775 20 5 HHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000439773758 983533217 /nfs/dbraw/zinc/53/32/17/983533217.db2.gz ZXCRHQOAPUWTAZ-CQSZACIVSA-N 0 1 400.504 3.667 20 5 HHBDMN COc1cc(CN2CCC([C@@H]3CCCO3)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000439773958 983533516 /nfs/dbraw/zinc/53/35/16/983533516.db2.gz JRWHBODJXUMHRL-INIZCTEOSA-N 0 1 418.412 3.936 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000439905887 983578240 /nfs/dbraw/zinc/57/82/40/983578240.db2.gz VBBKBOITQNEPAI-KRWDZBQOSA-N 0 1 402.451 3.935 20 5 HHBDMN COc1cc(OC)cc(OCCCN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000441178404 984103118 /nfs/dbraw/zinc/10/31/18/984103118.db2.gz OIIUJEWPBOEQJU-UHFFFAOYSA-N 0 1 401.419 3.654 20 5 HHBDMN Cc1ccc([C@@H](Cn2ccnc2)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000441379766 984219535 /nfs/dbraw/zinc/21/95/35/984219535.db2.gz DWTUYGKAMCMHCS-DYESRHJHSA-N 0 1 407.474 3.766 20 5 HHBDMN Cc1ccc2oc(CN(Cc3ccco3)C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cc2c1 ZINC000441436904 984251443 /nfs/dbraw/zinc/25/14/43/984251443.db2.gz PLWLPJOJWLEULF-GOSISDBHSA-N 0 1 410.430 3.502 20 5 HHBDMN Cc1ccnc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)n1 ZINC000441763611 984437573 /nfs/dbraw/zinc/43/75/73/984437573.db2.gz JSEVJSAHIHCGLV-UHFFFAOYSA-N 0 1 420.834 3.940 20 5 HHBDMN Cc1cc(NCc2cccnc2N2CCN(C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461779121 984775324 /nfs/dbraw/zinc/77/53/24/984775324.db2.gz JZUYGYNZNKKOPN-UHFFFAOYSA-N 0 1 409.412 3.681 20 5 HHBDMN COc1cccc(C[C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000462131328 985103112 /nfs/dbraw/zinc/10/31/12/985103112.db2.gz ACOGKVRRYDCPCP-JTQLQIEISA-N 0 1 419.286 3.820 20 5 HHBDMN C[C@H](Cc1ccccc1F)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462182886 985162563 /nfs/dbraw/zinc/16/25/63/985162563.db2.gz ABMFSUVKQMTCSX-SECBINFHSA-N 0 1 407.250 3.950 20 5 HHBDMN CCCOc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cn1 ZINC000462290254 985276993 /nfs/dbraw/zinc/27/69/93/985276993.db2.gz RXXSABZVGNLQLM-UHFFFAOYSA-N 0 1 420.274 3.564 20 5 HHBDMN Cc1ccc(OCCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462449852 985413828 /nfs/dbraw/zinc/41/38/28/985413828.db2.gz WVNFLBFRJTZHBH-UHFFFAOYSA-N 0 1 405.259 3.567 20 5 HHBDMN C[C@H]1CCCC[C@@H]1OCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462542595 985490464 /nfs/dbraw/zinc/49/04/64/985490464.db2.gz NTWDQIUSYXDBGO-HZMBPMFUSA-N 0 1 411.307 3.775 20 5 HHBDMN COc1cccc([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000462547169 985494866 /nfs/dbraw/zinc/49/48/66/985494866.db2.gz IMGNDWJCYYPYEN-VIFPVBQESA-N 0 1 405.259 3.950 20 5 HHBDMN O=C1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1CCOc1ccccc1 ZINC000462717553 985663869 /nfs/dbraw/zinc/66/38/69/985663869.db2.gz IZRLCBOCJMXMRU-SFHVURJKSA-N 0 1 421.453 3.624 20 5 HHBDMN Cn1cc(CN2CCC(c3noc(C4CC4)n3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000463059542 986017331 /nfs/dbraw/zinc/01/73/31/986017331.db2.gz PSCQGOSMMNJXGT-UHFFFAOYSA-N 0 1 408.462 3.635 20 5 HHBDMN CN(C)Cc1cc(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)ccc1F ZINC000444025519 986219685 /nfs/dbraw/zinc/21/96/85/986219685.db2.gz UKSOPOSYNIFXBI-UHFFFAOYSA-N 0 1 403.457 3.812 20 5 HHBDMN CN(CC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000463339265 986307590 /nfs/dbraw/zinc/30/75/90/986307590.db2.gz KWOILUOKMDAUGB-QHCPKHFHSA-N 0 1 415.453 3.813 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2cc(Br)ccc2OC)c1[N+](=O)[O-] ZINC000444132213 986324535 /nfs/dbraw/zinc/32/45/35/986324535.db2.gz PIHLUTANHRAJMG-ZDUSSCGKSA-N 0 1 423.267 3.629 20 5 HHBDMN O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(c2cnc[nH]2)CC1 ZINC000444231252 986419081 /nfs/dbraw/zinc/41/90/81/986419081.db2.gz CXWPWXGOSBLGAV-UHFFFAOYSA-N 0 1 408.408 3.702 20 5 HHBDMN CCCCc1nc2ccc(NC(=O)[C@@H](CC)Nc3c([N+](=O)[O-])c(C)nn3C)cc2[nH]1 ZINC000468710694 986425625 /nfs/dbraw/zinc/42/56/25/986425625.db2.gz WBERNSXCMVTKKF-CQSZACIVSA-N 0 1 413.482 3.685 20 5 HHBDMN CC(C)c1nc([C@H](C)NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n[nH]1 ZINC000444287972 986475408 /nfs/dbraw/zinc/47/54/08/986475408.db2.gz FHBUXNDXXRUYGA-JTQLQIEISA-N 0 1 411.412 3.692 20 5 HHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000468826261 986536332 /nfs/dbraw/zinc/53/63/32/986536332.db2.gz DPVOHJKNQKSFDI-RYUDHWBXSA-N 0 1 403.320 3.539 20 5 HHBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000463580667 986557409 /nfs/dbraw/zinc/55/74/09/986557409.db2.gz YZCFNMBVRJMOPP-UHFFFAOYSA-N 0 1 414.531 3.527 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc(OC(C)C)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000468894243 986600822 /nfs/dbraw/zinc/60/08/22/986600822.db2.gz IFPADKVZVJORDI-UHFFFAOYSA-N 0 1 400.840 3.845 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc(Oc3ccccn3)cc2)ccc1[N+](=O)[O-] ZINC000469123836 986842843 /nfs/dbraw/zinc/84/28/43/986842843.db2.gz XPWQCCNIWVZOSH-UHFFFAOYSA-N 0 1 401.400 3.592 20 5 HHBDMN CCOC(=O)c1sc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])nc1C ZINC000444863353 987019662 /nfs/dbraw/zinc/01/96/62/987019662.db2.gz YBGWSETXFWETEX-UHFFFAOYSA-N 0 1 420.266 3.613 20 5 HHBDMN Cc1c(CC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cccc1[N+](=O)[O-] ZINC000469507693 987184442 /nfs/dbraw/zinc/18/44/42/987184442.db2.gz AOKMPHXMQLBWHH-GOSISDBHSA-N 0 1 409.408 3.884 20 5 HHBDMN CN(C)Cc1ccc(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1F ZINC000445134403 987233002 /nfs/dbraw/zinc/23/30/02/987233002.db2.gz KIEMWBHLIPDCFY-UHFFFAOYSA-N 0 1 403.457 3.812 20 5 HHBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000470128928 988033015 /nfs/dbraw/zinc/03/30/15/988033015.db2.gz QYPMJHTYCFULFE-AWEZNQCLSA-N 0 1 410.409 3.931 20 5 HHBDMN CN(C)[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1cccs1 ZINC000463958584 988070447 /nfs/dbraw/zinc/07/04/47/988070447.db2.gz PWFUSLWVBJFQFO-SFHVURJKSA-N 0 1 418.519 3.512 20 5 HHBDMN CCCC1(CNC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000470228227 988160263 /nfs/dbraw/zinc/16/02/63/988160263.db2.gz MCNXBUVQJKJYKM-UHFFFAOYSA-N 0 1 417.487 3.706 20 5 HHBDMN CNc1c(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cccc1[N+](=O)[O-] ZINC000470597602 988613259 /nfs/dbraw/zinc/61/32/59/988613259.db2.gz FMXKRGZVAHLJRR-INIZCTEOSA-N 0 1 410.396 3.688 20 5 HHBDMN COc1cc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc([N+](=O)[O-])c1OC ZINC000464579736 988757690 /nfs/dbraw/zinc/75/76/90/988757690.db2.gz WNJLWWPAIDWXDQ-UHFFFAOYSA-N 0 1 421.207 3.503 20 5 HHBDMN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000471173356 989301065 /nfs/dbraw/zinc/30/10/65/989301065.db2.gz QBFHLJURXUCOSS-QGZVFWFLSA-N 0 1 402.882 3.788 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(c2ccc3ccccc3n2)CC1 ZINC000471194506 989331148 /nfs/dbraw/zinc/33/11/48/989331148.db2.gz CTXKSADSYGYCRX-UHFFFAOYSA-N 0 1 419.485 3.602 20 5 HHBDMN C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H](c1ccccc1)N(C)C ZINC000471540773 989740262 /nfs/dbraw/zinc/74/02/62/989740262.db2.gz VASHYWCAWJKHMI-CJAUYULYSA-N 0 1 413.521 3.962 20 5 HHBDMN CCc1ccc(C(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000471916010 990083740 /nfs/dbraw/zinc/08/37/40/990083740.db2.gz WDKURIZVBPVXJH-OAHLLOKOSA-N 0 1 414.481 3.539 20 5 HHBDMN CC(C)n1nc2c(c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CCC2 ZINC000471938952 990103035 /nfs/dbraw/zinc/10/30/35/990103035.db2.gz BCTNPBCWZRGCEE-UHFFFAOYSA-N 0 1 418.397 3.681 20 5 HHBDMN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000466157292 991345208 /nfs/dbraw/zinc/34/52/08/991345208.db2.gz MBKROMDJNTVYOL-UHFFFAOYSA-N 0 1 420.473 3.512 20 5 HHBDMN Cn1cc(CNCc2ccncc2OCC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000466417436 991708639 /nfs/dbraw/zinc/70/86/39/991708639.db2.gz YRASKDNBDJTYEP-UHFFFAOYSA-N 0 1 421.379 3.621 20 5 HHBDMN CO[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000466890255 992209344 /nfs/dbraw/zinc/20/93/44/992209344.db2.gz ISDIPYBLUKCAFV-AWEZNQCLSA-N 0 1 423.249 3.707 20 5 HHBDMN COc1ccc(-c2ccc(CNCCN3CCc4ccccc4C3=O)o2)c([N+](=O)[O-])c1 ZINC000466905386 992221234 /nfs/dbraw/zinc/22/12/34/992221234.db2.gz FHZYFWJKXWLYMA-UHFFFAOYSA-N 0 1 421.453 3.652 20 5 HHBDMN Cc1c(NC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000467093919 992399865 /nfs/dbraw/zinc/39/98/65/992399865.db2.gz TXSJFGZXTGJKLH-HNNXBMFYSA-N 0 1 420.351 3.951 20 5 HHBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)CC[C@@H]1CCCO1 ZINC000467150934 992467932 /nfs/dbraw/zinc/46/79/32/992467932.db2.gz XTDNHUIVQOSLBD-CJNGLKHVSA-N 0 1 404.492 3.546 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000467781154 993019315 /nfs/dbraw/zinc/01/93/15/993019315.db2.gz BFFQYDQPGXENAQ-CHWSQXEVSA-N 0 1 419.290 3.560 20 5 HHBDMN CCc1ccc(-c2noc([C@H](C)NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)cc1 ZINC000472408017 993402878 /nfs/dbraw/zinc/40/28/78/993402878.db2.gz VSEHCIXWLVZOAG-NSHDSACASA-N 0 1 406.402 3.575 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481384372 994215639 /nfs/dbraw/zinc/21/56/39/994215639.db2.gz UXSYMOIWAKMBHV-CWTRNNRKSA-N 0 1 407.854 3.561 20 5 HHBDMN COc1ccc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000481819681 994670742 /nfs/dbraw/zinc/67/07/42/994670742.db2.gz AZECXQJFCVZUSA-UHFFFAOYSA-N 0 1 415.265 3.784 20 5 HHBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000473767022 994684638 /nfs/dbraw/zinc/68/46/38/994684638.db2.gz SJSMPJWLWSGLCQ-UHFFFAOYSA-N 0 1 413.478 3.698 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000481977425 994870897 /nfs/dbraw/zinc/87/08/97/994870897.db2.gz OAAOPWFSGSGNEA-UHFFFAOYSA-N 0 1 405.476 3.541 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000481981747 994878382 /nfs/dbraw/zinc/87/83/82/994878382.db2.gz OVIGVLIBRDYNRF-UHFFFAOYSA-N 0 1 400.416 3.595 20 5 HHBDMN COC(=O)COc1ccc(CN[C@H](C)c2cc3cccc(F)c3o2)cc1[N+](=O)[O-] ZINC000473995999 994984438 /nfs/dbraw/zinc/98/44/38/994984438.db2.gz NPQFOAINRWGYDW-GFCCVEGCSA-N 0 1 402.378 3.883 20 5 HHBDMN O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCN(C2CCCCC2)CC1 ZINC000482058437 994987487 /nfs/dbraw/zinc/98/74/87/994987487.db2.gz BBXQWNQCHYGMPT-UHFFFAOYSA-N 0 1 400.504 3.809 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CCN2C2CC2)c1 ZINC000482102895 995049199 /nfs/dbraw/zinc/04/91/99/995049199.db2.gz MCJMYDXLKJHNJJ-FCHUYYIVSA-N 0 1 420.469 3.793 20 5 HHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482872495 995807612 /nfs/dbraw/zinc/80/76/12/995807612.db2.gz ZHAINKIEXVTASB-MRXNPFEDSA-N 0 1 405.454 3.974 20 5 HHBDMN CCOc1ccc(NC(=O)CN(C)[C@@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000483058916 995947230 /nfs/dbraw/zinc/94/72/30/995947230.db2.gz LBBCHDGLXVGPDI-GOSISDBHSA-N 0 1 412.490 3.533 20 5 HHBDMN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)NC1CCN(Cc2ccncc2)CC1 ZINC000475210149 995999255 /nfs/dbraw/zinc/99/92/55/995999255.db2.gz RLIKRZHXVHJYHG-UHFFFAOYSA-N 0 1 423.395 3.795 20 5 HHBDMN CS(=O)(=O)C1(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCC1 ZINC000475429565 996132952 /nfs/dbraw/zinc/13/29/52/996132952.db2.gz IDDZSLPXOUAISG-UHFFFAOYSA-N 0 1 408.451 3.583 20 5 HHBDMN CC[C@@H](C)N(CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000475536684 996207920 /nfs/dbraw/zinc/20/79/20/996207920.db2.gz KLSNSOYRDFTTNK-CYBMUJFWSA-N 0 1 413.400 3.549 20 5 HHBDMN Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2)cc1 ZINC000475604485 996243005 /nfs/dbraw/zinc/24/30/05/996243005.db2.gz VLSDZPULXACHTC-UHFFFAOYSA-N 0 1 405.410 3.791 20 5 HHBDMN CN(C(=O)CNC(C)(C)c1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000475725098 996325236 /nfs/dbraw/zinc/32/52/36/996325236.db2.gz XIVSIYFAZACWLZ-UHFFFAOYSA-N 0 1 411.380 3.981 20 5 HHBDMN COc1ccc(S(=O)(=O)Nc2ccccc2-c2csc(C)n2)cc1[N+](=O)[O-] ZINC000475823682 996393941 /nfs/dbraw/zinc/39/39/41/996393941.db2.gz GAKBZFSKCDIBNV-UHFFFAOYSA-N 0 1 405.457 3.836 20 5 HHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000484046698 996540031 /nfs/dbraw/zinc/54/00/31/996540031.db2.gz VLTJBPJHNKXUDR-UHFFFAOYSA-N 0 1 402.470 3.786 20 5 HHBDMN CS[C@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000476059101 996572972 /nfs/dbraw/zinc/57/29/72/996572972.db2.gz FINALXPXBZQDMG-RTWAWAEBSA-N 0 1 411.527 3.842 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3(C)C)cc2)cc1[N+](=O)[O-] ZINC000476491251 996975187 /nfs/dbraw/zinc/97/51/87/996975187.db2.gz IPWWBUJYVZCUEJ-UHFFFAOYSA-N 0 1 417.487 3.719 20 5 HHBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 ZINC000484881165 997246736 /nfs/dbraw/zinc/24/67/36/997246736.db2.gz YOGFMWUEPAIFEU-LBPRGKRZSA-N 0 1 418.393 3.618 20 5 HHBDMN COc1ccccc1-c1csc(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000485129239 997513394 /nfs/dbraw/zinc/51/33/94/997513394.db2.gz PWRJPQMTRKVRPU-UHFFFAOYSA-N 0 1 413.503 3.803 20 5 HHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000477173237 997841012 /nfs/dbraw/zinc/84/10/12/997841012.db2.gz FKWNFFWCXBQQME-AWEZNQCLSA-N 0 1 417.878 3.559 20 5 HHBDMN Cc1nc2ccccc2n1C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000477395547 998081787 /nfs/dbraw/zinc/08/17/87/998081787.db2.gz WQTQWWMZTWKMLE-UHFFFAOYSA-N 0 1 404.430 3.607 20 5 HHBDMN CN1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477493499 998215033 /nfs/dbraw/zinc/21/50/33/998215033.db2.gz WUBLELLHHOTXBI-ZMZPIMSZSA-N 0 1 424.835 3.531 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000477923181 998659945 /nfs/dbraw/zinc/65/99/45/998659945.db2.gz UIOKKOBNPWHFCK-KBXCAEBGSA-N 0 1 401.438 3.584 20 5 HHBDMN C[C@H]1CC[C@H](CNC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000478131521 998776434 /nfs/dbraw/zinc/77/64/34/998776434.db2.gz GXUFTWMMWLSVAP-GJZGRUSLSA-N 0 1 417.487 3.562 20 5 HHBDMN O=[N+]([O-])c1ccc2oc(CN3C[C@H]4CCC[C@@]4(c4nc(CC5CC5)no4)C3)nc2c1 ZINC000486844698 998969494 /nfs/dbraw/zinc/96/94/94/998969494.db2.gz KYTRCYVSHHVFNH-SPLOXXLWSA-N 0 1 409.446 3.625 20 5 HHBDMN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000486857929 998977145 /nfs/dbraw/zinc/97/71/45/998977145.db2.gz LENQAKGBARQKGO-LURJTMIESA-N 0 1 415.802 3.763 20 5 HHBDMN CN(C)[C@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000487182763 999090388 /nfs/dbraw/zinc/09/03/88/999090388.db2.gz CPGGMZGDQQDOOE-GOSISDBHSA-N 0 1 408.861 3.532 20 5 HHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000478978698 999232390 /nfs/dbraw/zinc/23/23/90/999232390.db2.gz DBZOQZUGJDKTAU-GOSISDBHSA-N 0 1 403.504 3.748 20 5 HHBDMN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1[N+](=O)[O-] ZINC000487721877 999265516 /nfs/dbraw/zinc/26/55/16/999265516.db2.gz DUIIHMSLGAZYOY-QGZVFWFLSA-N 0 1 411.506 3.846 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2cc(F)c(SC)c(F)c2)cc1[N+](=O)[O-] ZINC000488268688 999417244 /nfs/dbraw/zinc/41/72/44/999417244.db2.gz SYWFKSKNIQDQJV-UHFFFAOYSA-N 0 1 408.379 3.543 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)cc1[N+](=O)[O-] ZINC000488267903 999417293 /nfs/dbraw/zinc/41/72/93/999417293.db2.gz SEUNDSNLIAZGNM-UHFFFAOYSA-N 0 1 423.344 3.518 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2cc(C)cc(Br)c2)cc1[N+](=O)[O-] ZINC000488270617 999418160 /nfs/dbraw/zinc/41/81/60/999418160.db2.gz WOYUETGELLRENI-UHFFFAOYSA-N 0 1 419.228 3.614 20 5 HHBDMN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Oc3cccnc3)nc2)c1[N+](=O)[O-] ZINC000480211352 999746614 /nfs/dbraw/zinc/74/66/14/999746614.db2.gz CLVOTQMXLIIUNC-UHFFFAOYSA-N 0 1 400.416 3.595 20 5 HHBDMN O=C(NCCCCN1CCOCC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000480437448 999798850 /nfs/dbraw/zinc/79/88/50/999798850.db2.gz QCHOILQVIXASIE-UHFFFAOYSA-N 0 1 415.515 3.588 20 5 HHBDMN CCOc1cc2c(cc1OCC)CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000489659371 999812151 /nfs/dbraw/zinc/81/21/51/999812151.db2.gz NWSBMKCTUVTOER-UHFFFAOYSA-N 0 1 413.474 3.779 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000480671859 999855746 /nfs/dbraw/zinc/85/57/46/999855746.db2.gz SWHWXHLPQRBLIV-HOTGVXAUSA-N 0 1 406.504 3.815 20 5 HHBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480685558 999858919 /nfs/dbraw/zinc/85/89/19/999858919.db2.gz AHTGZRJPGXXOGI-SPLOXXLWSA-N 0 1 411.437 3.564 20 5 HHBDMN COc1cc(CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000489967135 999870338 /nfs/dbraw/zinc/87/03/38/999870338.db2.gz ROGSHILQMUNLMY-INIZCTEOSA-N 0 1 416.453 3.776 20 5 HHBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1noc(-c2ccc(Cl)cc2)n1 ZINC000490035269 999882106 /nfs/dbraw/zinc/88/21/06/999882106.db2.gz YMXWVGCMCFGMNI-SECBINFHSA-N 0 1 412.793 3.666 20 5 HHBDMN O=C(Nc1cc(Br)cc(Cl)c1O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000490090224 999891652 /nfs/dbraw/zinc/89/16/52/999891652.db2.gz SONSMKRNBJTQIN-UHFFFAOYSA-N 0 1 415.583 3.697 20 5 HHBDMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000490090307 999891694 /nfs/dbraw/zinc/89/16/94/999891694.db2.gz UDCOEYMPFJQGPR-OAHLLOKOSA-N 0 1 417.428 3.616 20 5 HHBDMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000490090307 999891696 /nfs/dbraw/zinc/89/16/96/999891696.db2.gz UDCOEYMPFJQGPR-OAHLLOKOSA-N 0 1 417.428 3.616 20 5 HHBDMN COc1ccc(CNC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000490292883 999930046 /nfs/dbraw/zinc/93/00/46/999930046.db2.gz XOIHWWYYOQYUPI-QGZVFWFLSA-N 0 1 409.446 3.835 20 5 HHBDMN Cc1nc(S(=O)(=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[nH]c1-c1ccccc1 ZINC000490465719 999962039 /nfs/dbraw/zinc/96/20/39/999962039.db2.gz RJWJJTUAOPKXLM-UHFFFAOYSA-N 0 1 424.438 3.922 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccccc4)nc3c2)ccc1[N+](=O)[O-] ZINC000491609509 1000090035 /nfs/dbraw/zinc/09/00/35/1000090035.db2.gz IEKSPFWNLBOHJX-UHFFFAOYSA-N 0 1 424.438 3.948 20 5 HHBDMN Cn1ccnc1-c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)[nH]n1 ZINC000493504333 1000176506 /nfs/dbraw/zinc/17/65/06/1000176506.db2.gz FFPMFWSEZSIOJH-UHFFFAOYSA-N 0 1 417.429 3.583 20 5 HHBDMN Cc1cc(C)c(S(=O)(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000493916485 1000212692 /nfs/dbraw/zinc/21/26/92/1000212692.db2.gz KGLHZJCTEOKMHO-KRWDZBQOSA-N 0 1 417.531 3.716 20 5 HHBDMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000493972937 1000246441 /nfs/dbraw/zinc/24/64/41/1000246441.db2.gz FIEPPHOYTSJCJT-KRWDZBQOSA-N 0 1 408.483 3.723 20 5 HHBDMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000493973425 1000246484 /nfs/dbraw/zinc/24/64/84/1000246484.db2.gz RHEHVXSAPXETCH-KRWDZBQOSA-N 0 1 408.483 3.723 20 5 HHBDMN CCOc1ccc([C@H](C)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1[N+](=O)[O-] ZINC000504894043 1000433237 /nfs/dbraw/zinc/43/32/37/1000433237.db2.gz JPHFFFWGROGVAA-BBWFWOEESA-N 0 1 414.506 3.853 20 5 HHBDMN CCOc1ccc([C@H](C)NCc2cc(F)ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000504900105 1000436591 /nfs/dbraw/zinc/43/65/91/1000436591.db2.gz RJSOULOCCQZRRI-HNNXBMFYSA-N 0 1 403.454 3.820 20 5 HHBDMN CCOc1ccc([C@H](C)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000504911512 1000443769 /nfs/dbraw/zinc/44/37/69/1000443769.db2.gz HMZBKNOLRUBMAM-YCRPNKLZSA-N 0 1 413.474 3.962 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000504927827 1000453431 /nfs/dbraw/zinc/45/34/31/1000453431.db2.gz VHDQTOCCXKGONU-GJZGRUSLSA-N 0 1 421.519 3.656 20 5 HHBDMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000494463118 1000504918 /nfs/dbraw/zinc/50/49/18/1000504918.db2.gz JHFVEPKEUXUACI-UHFFFAOYSA-N 0 1 417.531 3.891 20 5 HHBDMN CCOc1ccc(NC(=O)CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000494478989 1000514362 /nfs/dbraw/zinc/51/43/62/1000514362.db2.gz WMDKUYNVBXXASS-YLJYHZDGSA-N 0 1 419.865 3.705 20 5 HHBDMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494500535 1000526540 /nfs/dbraw/zinc/52/65/40/1000526540.db2.gz AIHQKRFMMZSKLL-FJNPEDAXSA-N 0 1 407.829 3.834 20 5 HHBDMN Cc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)n[nH]2)c(C)c1 ZINC000494911957 1000726101 /nfs/dbraw/zinc/72/61/01/1000726101.db2.gz VIFWWOVUNCVRNH-UHFFFAOYSA-N 0 1 405.458 3.564 20 5 HHBDMN O=C(Cc1ccccc1)Nc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1F ZINC000505798874 1001031889 /nfs/dbraw/zinc/03/18/89/1001031889.db2.gz IZPLXVYRAJJMQS-UHFFFAOYSA-N 0 1 409.373 3.873 20 5 HHBDMN 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/nfs/dbraw/zinc/71/21/90/1007712190.db2.gz FAFWGSLVLZOFHX-OAHLLOKOSA-N 0 1 401.898 3.930 20 5 HHBDMN Cc1c(NC(=O)[C@@H](C)N2CCC(c3c[nH]c4ncccc34)CC2)cccc1[N+](=O)[O-] ZINC000533519591 1007838298 /nfs/dbraw/zinc/83/82/98/1007838298.db2.gz HXAIWFMPDNSFJM-OAHLLOKOSA-N 0 1 407.474 3.986 20 5 HHBDMN Cc1nc2ccccc2n1C[C@H]1CCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000533760516 1008086618 /nfs/dbraw/zinc/08/66/18/1008086618.db2.gz DLXQDIGEIPYBAR-GOSISDBHSA-N 0 1 407.474 3.664 20 5 HHBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000536072076 1008098823 /nfs/dbraw/zinc/09/88/23/1008098823.db2.gz FFGMZJCTYXOMTN-QGZVFWFLSA-N 0 1 409.471 3.836 20 5 HHBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000536072076 1008098829 /nfs/dbraw/zinc/09/88/29/1008098829.db2.gz FFGMZJCTYXOMTN-QGZVFWFLSA-N 0 1 409.471 3.836 20 5 HHBDMN O=C(c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl)N1CCCCC1 ZINC000518041216 1008122128 /nfs/dbraw/zinc/12/21/28/1008122128.db2.gz MXSOYKCQURCBNF-UHFFFAOYSA-N 0 1 423.878 3.675 20 5 HHBDMN CN(C)[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 ZINC000533927331 1008210798 /nfs/dbraw/zinc/21/07/98/1008210798.db2.gz YNFSSDXBHFJFRD-LJQANCHMSA-N 0 1 400.866 3.691 20 5 HHBDMN CCc1nc2ccccc2n1C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000540120246 1008298623 /nfs/dbraw/zinc/29/86/23/1008298623.db2.gz NXRZBYWEVCGEFO-UHFFFAOYSA-N 0 1 418.457 3.861 20 5 HHBDMN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000518427611 1008300667 /nfs/dbraw/zinc/30/06/67/1008300667.db2.gz CZINYLCPAIFVBQ-PIGZYNQJSA-N 0 1 400.822 3.727 20 5 HHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@H]2CN3CCC[C@]3(C)CO2)no1 ZINC000518615300 1008366404 /nfs/dbraw/zinc/36/64/04/1008366404.db2.gz FEISBPMUTLNQFP-RHSMWYFYSA-N 0 1 423.267 3.642 20 5 HHBDMN COc1cc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000540328302 1008382206 /nfs/dbraw/zinc/38/22/06/1008382206.db2.gz UNVYMQYEUZJUSQ-UONOGXRCSA-N 0 1 417.462 3.607 20 5 HHBDMN COc1ccc(S(=O)(=O)[N-]c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000540333979 1008385051 /nfs/dbraw/zinc/38/50/51/1008385051.db2.gz UIONEIZZPMDOAF-UHFFFAOYSA-N 0 1 419.503 3.636 20 5 HHBDMN C[C@@H](NCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000540378671 1008407209 /nfs/dbraw/zinc/40/72/09/1008407209.db2.gz BJAVJJCCMZOSPZ-OAHLLOKOSA-N 0 1 405.458 3.947 20 5 HHBDMN Cc1c([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000540469061 1008443618 /nfs/dbraw/zinc/44/36/18/1008443618.db2.gz DGMMGSJBXNXZNN-KGLIPLIRSA-N 0 1 411.437 3.906 20 5 HHBDMN Cc1ccc([C@@H](C)NCC(=O)NCCc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000540475339 1008446469 /nfs/dbraw/zinc/44/64/69/1008446469.db2.gz NRRRSAMYQWBSEZ-CQSZACIVSA-N 0 1 407.417 3.514 20 5 HHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc([S@@](C)=O)cc1 ZINC000542968783 1008542350 /nfs/dbraw/zinc/54/23/50/1008542350.db2.gz CHPNVKKJQSUHOJ-JHCVWZRZSA-N 0 1 409.895 3.663 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000519158274 1008568681 /nfs/dbraw/zinc/56/86/81/1008568681.db2.gz HMROWBYBHOUCKB-UHFFFAOYSA-N 0 1 410.474 3.970 20 5 HHBDMN Cc1cc(-c2nc(C3CC3)no2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000543165259 1008740193 /nfs/dbraw/zinc/74/01/93/1008740193.db2.gz XUTTZHLEKCHOCI-UHFFFAOYSA-N 0 1 414.443 3.940 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000543184237 1008758173 /nfs/dbraw/zinc/75/81/73/1008758173.db2.gz ZLHBHVSAGXGDGW-CABCVRRESA-N 0 1 402.344 3.757 20 5 HHBDMN CCc1ccc([C@H](NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000549229547 1008799599 /nfs/dbraw/zinc/79/95/99/1008799599.db2.gz XZMQVDUEQSBYAQ-WTOYTKOKSA-N 0 1 414.502 3.997 20 5 HHBDMN O=[N+]([O-])c1cc(CNC[C@H]2CCCCS2(=O)=O)ccc1Oc1ccc(F)cc1 ZINC000543241094 1008810493 /nfs/dbraw/zinc/81/04/93/1008810493.db2.gz DPOFFGJPDVFWBF-QGZVFWFLSA-N 0 1 408.451 3.583 20 5 HHBDMN COc1cc(-c2nc(-c3ccc(F)c(CN(C)C)c3)no2)cc([N+](=O)[O-])c1OC ZINC000545753255 1008842117 /nfs/dbraw/zinc/84/21/17/1008842117.db2.gz OLRCKYRJAFQHRP-UHFFFAOYSA-N 0 1 402.382 3.530 20 5 HHBDMN C[C@H]1CCCC[N@H+]1Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000519891530 1009057386 /nfs/dbraw/zinc/05/73/86/1009057386.db2.gz FDJMZWDXBUITHI-HNNXBMFYSA-N 0 1 421.494 3.587 20 5 HHBDMN COc1cc([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])ccc1OC(C)C ZINC000519891773 1009058524 /nfs/dbraw/zinc/05/85/24/1009058524.db2.gz RSEXFUBJPYZIIO-LBPRGKRZSA-N 0 1 412.439 3.569 20 5 HHBDMN C[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000520002432 1009155546 /nfs/dbraw/zinc/15/55/46/1009155546.db2.gz BHOAXIPQQHNIOQ-GJZGRUSLSA-N 0 1 417.893 3.579 20 5 HHBDMN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000543732001 1009322112 /nfs/dbraw/zinc/32/21/12/1009322112.db2.gz WREULRXIQIVTQB-UHFFFAOYSA-N 0 1 406.420 3.836 20 5 HHBDMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000549919455 1009537933 /nfs/dbraw/zinc/53/79/33/1009537933.db2.gz JHJHAJFYMWVJSG-QNQZFDRPSA-N 0 1 403.523 3.984 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])cc1CNCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000549934205 1009547085 /nfs/dbraw/zinc/54/70/85/1009547085.db2.gz DGCPXXSQHYCUPQ-UHFFFAOYSA-N 0 1 412.895 3.601 20 5 HHBDMN COc1ccc(NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000544054007 1009657151 /nfs/dbraw/zinc/65/71/51/1009657151.db2.gz UOEWXLRKKQNPMR-HNNXBMFYSA-N 0 1 422.445 3.800 20 5 HHBDMN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000520617265 1009694511 /nfs/dbraw/zinc/69/45/11/1009694511.db2.gz WEEGNBNANWAPRB-AWEZNQCLSA-N 0 1 417.487 3.576 20 5 HHBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000544120679 1009728837 /nfs/dbraw/zinc/72/88/37/1009728837.db2.gz WDLVOWDLVVAOAU-INIZCTEOSA-N 0 1 411.483 3.781 20 5 HHBDMN COc1cccc([C@H](CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])N(C)C)c1 ZINC000544205498 1009811066 /nfs/dbraw/zinc/81/10/66/1009811066.db2.gz VDQJIZABTCKNDI-KRWDZBQOSA-N 0 1 423.922 3.768 20 5 HHBDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000544239316 1009850949 /nfs/dbraw/zinc/85/09/49/1009850949.db2.gz HEAFTOQQURNPPE-UHFFFAOYSA-N 0 1 416.481 3.820 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000520957957 1010005448 /nfs/dbraw/zinc/00/54/48/1010005448.db2.gz MYLBSLPMGBHMAX-KRWDZBQOSA-N 0 1 416.459 3.686 20 5 HHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544403064 1010022779 /nfs/dbraw/zinc/02/27/79/1010022779.db2.gz ZRGSDIULIXBJCE-HNNXBMFYSA-N 0 1 400.454 3.536 20 5 HHBDMN COc1ccc(CN[C@@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000544575390 1010203885 /nfs/dbraw/zinc/20/38/85/1010203885.db2.gz GWZONNFNEQMBLE-NQIIRXRSSA-N 0 1 418.515 3.787 20 5 HHBDMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000544611778 1010237328 /nfs/dbraw/zinc/23/73/28/1010237328.db2.gz XHNOSEGMGICBGM-INIZCTEOSA-N 0 1 405.520 3.785 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Cl)c1-n1cc[nH+]c1C ZINC000521378586 1010344826 /nfs/dbraw/zinc/34/48/26/1010344826.db2.gz OSUAZBSUJXGHCQ-UHFFFAOYSA-N 0 1 422.850 3.552 20 5 HHBDMN O=[N+]([O-])c1ccc(N2CCN(CCCOc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000521431179 1010372898 /nfs/dbraw/zinc/37/28/98/1010372898.db2.gz ZOAFISZEZDRKCV-UHFFFAOYSA-N 0 1 410.396 3.600 20 5 HHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000544836164 1010426697 /nfs/dbraw/zinc/42/66/97/1010426697.db2.gz KDARRMDDLFJOON-MRXNPFEDSA-N 0 1 406.851 3.650 20 5 HHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000551410895 1010568885 /nfs/dbraw/zinc/56/88/85/1010568885.db2.gz ILUGYHCWPXWCRD-UZLBHIALSA-N 0 1 407.474 3.565 20 5 HHBDMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000548363891 1010601540 /nfs/dbraw/zinc/60/15/40/1010601540.db2.gz VFRLHFCRIVPHDG-UHFFFAOYSA-N 0 1 413.412 3.536 20 5 HHBDMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000548363891 1010601547 /nfs/dbraw/zinc/60/15/47/1010601547.db2.gz VFRLHFCRIVPHDG-UHFFFAOYSA-N 0 1 413.412 3.536 20 5 HHBDMN COc1ccccc1C1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000521770263 1010604870 /nfs/dbraw/zinc/60/48/70/1010604870.db2.gz LTJSRRKGHDXRBI-UHFFFAOYSA-N 0 1 408.451 3.533 20 5 HHBDMN CC1(C)CC(CNC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000548385051 1010609500 /nfs/dbraw/zinc/60/95/00/1010609500.db2.gz VFLUVQBPZNHQBI-UHFFFAOYSA-N 0 1 417.487 3.562 20 5 HHBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000545364594 1010753292 /nfs/dbraw/zinc/75/32/92/1010753292.db2.gz ZQWWFHITPFTOPQ-OAHLLOKOSA-N 0 1 406.851 3.650 20 5 HHBDMN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000522235871 1010881008 /nfs/dbraw/zinc/88/10/08/1010881008.db2.gz LMRQUGXVFZOHGD-UHFFFAOYSA-N 0 1 420.473 3.588 20 5 HHBDMN Cc1ccc(C[C@@H](N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccn2)cc1 ZINC000522380137 1010970063 /nfs/dbraw/zinc/97/00/63/1010970063.db2.gz XJPNSPRWWWRUCU-XZOQPEGZSA-N 0 1 416.481 3.977 20 5 HHBDMN CCOc1ccc([C@@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cc1[N+](=O)[O-] ZINC000540749362 1011402157 /nfs/dbraw/zinc/40/21/57/1011402157.db2.gz BVLITTSGGWZMCG-DNVCBOLYSA-N 0 1 412.490 3.616 20 5 HHBDMN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000540844551 1011507963 /nfs/dbraw/zinc/50/79/63/1011507963.db2.gz GKTRVRAQTNDCLE-MRXNPFEDSA-N 0 1 412.494 3.579 20 5 HHBDMN Cc1c(CC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000540850401 1011514724 /nfs/dbraw/zinc/51/47/24/1011514724.db2.gz DYQMEULWAWHTEW-SFHVURJKSA-N 0 1 405.458 3.637 20 5 HHBDMN CCCOc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OCC ZINC000536680960 1011844038 /nfs/dbraw/zinc/84/40/38/1011844038.db2.gz KITTZSAHXRZJHY-KRWDZBQOSA-N 0 1 400.479 3.864 20 5 HHBDMN NC(=O)c1ccc(N2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)cc1 ZINC000536681581 1011844625 /nfs/dbraw/zinc/84/46/25/1011844625.db2.gz MBFUYBBSBOFHGY-UHFFFAOYSA-N 0 1 422.510 3.744 20 5 HHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccnc(OC2CCCCC2)c1 ZINC000536813111 1012038217 /nfs/dbraw/zinc/03/82/17/1012038217.db2.gz ABRDUAMOQYTZBA-UHFFFAOYSA-N 0 1 408.418 3.739 20 5 HHBDMN Cn1ccnc1[C@@H](NC[C@@H](c1ccccc1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000552040146 1012060224 /nfs/dbraw/zinc/06/02/24/1012060224.db2.gz FDTYAIOLVVCKNT-VXKWHMMOSA-N 0 1 405.502 3.844 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@@H]2CCCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000536837385 1012067623 /nfs/dbraw/zinc/06/76/23/1012067623.db2.gz FBDWFXVZUBAWMP-WMLDXEAASA-N 0 1 401.438 3.979 20 5 HHBDMN CCc1ccc([C@H](NCCCN2C[C@@H](C)O[C@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549928 1012336870 /nfs/dbraw/zinc/33/68/70/1012336870.db2.gz LMHZCGSHUZCJAE-DRSNIGMVSA-N 0 1 401.507 3.929 20 5 HHBDMN CCc1ccc([C@@H](NCCc2nnc3n2CCCCC3)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541552270 1012339519 /nfs/dbraw/zinc/33/95/19/1012339519.db2.gz ZUQDFDHGCFOJBE-QFIPXVFZSA-N 0 1 409.490 3.990 20 5 HHBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000541552497 1012339816 /nfs/dbraw/zinc/33/98/16/1012339816.db2.gz JCSFZHAGTFCPGT-LJQANCHMSA-N 0 1 418.444 3.922 20 5 HHBDMN CCOc1ccc([C@@H](C)NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000537074815 1012417704 /nfs/dbraw/zinc/41/77/04/1012417704.db2.gz WORQILURGVQXJU-LSDHHAIUSA-N 0 1 401.463 3.530 20 5 HHBDMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000537078322 1012425506 /nfs/dbraw/zinc/42/55/06/1012425506.db2.gz AKSSLUMLOILZEP-HNNXBMFYSA-N 0 1 407.474 3.995 20 5 HHBDMN CC(C)(C)[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(F)c1 ZINC000537123629 1012506293 /nfs/dbraw/zinc/50/62/93/1012506293.db2.gz AIXBOMNOXBPUFU-LJQANCHMSA-N 0 1 403.410 3.778 20 5 HHBDMN C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1cn(-c2ccccc2)nn1 ZINC000541690875 1012534403 /nfs/dbraw/zinc/53/44/03/1012534403.db2.gz JKRKPJFCULKPLM-OAHLLOKOSA-N 0 1 404.430 3.724 20 5 HHBDMN COC(=O)c1c(C)c(C)sc1NC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537174774 1012579891 /nfs/dbraw/zinc/57/98/91/1012579891.db2.gz CDNSXQLCHCQPHG-GFCCVEGCSA-N 0 1 405.476 3.657 20 5 HHBDMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537174847 1012581924 /nfs/dbraw/zinc/58/19/24/1012581924.db2.gz GPGULZXLDXTMQK-MRXNPFEDSA-N 0 1 415.490 3.620 20 5 HHBDMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537174846 1012582331 /nfs/dbraw/zinc/58/23/31/1012582331.db2.gz GPGULZXLDXTMQK-INIZCTEOSA-N 0 1 415.490 3.620 20 5 HHBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000541737822 1012593093 /nfs/dbraw/zinc/59/30/93/1012593093.db2.gz CLLYTGQRDLQKQS-LBPRGKRZSA-N 0 1 402.394 3.738 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1 ZINC000541801075 1012679487 /nfs/dbraw/zinc/67/94/87/1012679487.db2.gz WLANRSLMTRPOOP-UHFFFAOYSA-N 0 1 405.476 3.541 20 5 HHBDMN CC(C)(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000541825329 1012712297 /nfs/dbraw/zinc/71/22/97/1012712297.db2.gz TZBKITWATNLAGA-JTQLQIEISA-N 0 1 419.219 3.613 20 5 HHBDMN CC(C)(C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000541825330 1012712387 /nfs/dbraw/zinc/71/23/87/1012712387.db2.gz TZBKITWATNLAGA-SNVBAGLBSA-N 0 1 419.219 3.613 20 5 HHBDMN CCOc1ccc([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000552717468 1012727663 /nfs/dbraw/zinc/72/76/63/1012727663.db2.gz MVOCBBZUAMHLBO-HNNXBMFYSA-N 0 1 401.463 3.706 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4C)C3)[nH]c2c1 ZINC000541913087 1012771272 /nfs/dbraw/zinc/77/12/72/1012771272.db2.gz WWTWWCDCQGJBTH-HNNXBMFYSA-N 0 1 414.487 3.656 20 5 HHBDMN CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000541944763 1012804895 /nfs/dbraw/zinc/80/48/95/1012804895.db2.gz HMWHSWLFCXTFPQ-KRWDZBQOSA-N 0 1 419.428 3.933 20 5 HHBDMN C[C@@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000541990531 1012867594 /nfs/dbraw/zinc/86/75/94/1012867594.db2.gz TZVJYMDRLWFSKG-OAHLLOKOSA-N 0 1 419.428 3.933 20 5 HHBDMN Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000524122159 1012899640 /nfs/dbraw/zinc/89/96/40/1012899640.db2.gz FWUJHBHLCGUBNL-PKOBYXMFSA-N 0 1 417.531 3.577 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000524132888 1012918414 /nfs/dbraw/zinc/91/84/14/1012918414.db2.gz VIURENUNSYDONT-UHFFFAOYSA-N 0 1 402.208 3.703 20 5 HHBDMN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)n1 ZINC000587192461 1072518358 /nfs/dbraw/zinc/51/83/58/1072518358.db2.gz VTOJJUKZIRWKJI-KRWDZBQOSA-N 0 1 404.854 3.679 20 5 HHBDMN CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000479388558 1072801165 /nfs/dbraw/zinc/80/11/65/1072801165.db2.gz JWRBISOJKAYADA-IFXJQAMLSA-N 0 1 417.487 3.656 20 5 HHBDMN O=C(Nc1nnc(CC(F)(F)F)s1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000554890151 1072929632 /nfs/dbraw/zinc/92/96/32/1072929632.db2.gz KDOITBAPYQCANF-UHFFFAOYSA-N 0 1 400.260 3.822 20 5 HHBDMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000588789175 1073211829 /nfs/dbraw/zinc/21/18/29/1073211829.db2.gz ZQHJLKVQVVZVMA-UHFFFAOYSA-N 0 1 409.446 3.609 20 5 HHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000588832704 1073295436 /nfs/dbraw/zinc/29/54/36/1073295436.db2.gz VGFUAIVLIUVEMC-UHFFFAOYSA-N 0 1 413.865 3.931 20 5 HHBDMN COc1ccc(-c2n[nH]c(Sc3ccncc3[N+](=O)[O-])n2)cc1Br ZINC000588832695 1073295504 /nfs/dbraw/zinc/29/55/04/1073295504.db2.gz XKERFNJYRXLXKS-UHFFFAOYSA-N 0 1 408.237 3.697 20 5 HHBDMN CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000555276638 1073315225 /nfs/dbraw/zinc/31/52/25/1073315225.db2.gz SBYBVFPKUNQUTD-CYBMUJFWSA-N 0 1 407.430 3.961 20 5 HHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC(Cc3cccc(C(F)(F)F)c3)C2)c1 ZINC000589960515 1073404480 /nfs/dbraw/zinc/40/44/80/1073404480.db2.gz CRKACQHLXBXWBB-GOSISDBHSA-N 0 1 410.392 3.528 20 5 HHBDMN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000590499153 1073859225 /nfs/dbraw/zinc/85/92/25/1073859225.db2.gz AWSBEROLPMJCEZ-GASCZTMLSA-N 0 1 417.487 3.799 20 5 HHBDMN COc1ccc(CNCc2cc(I)cc([N+](=O)[O-])c2)c(C)c1 ZINC000572983852 1073877339 /nfs/dbraw/zinc/87/73/39/1073877339.db2.gz DKFJQYWGOXKRIG-UHFFFAOYSA-N 0 1 412.227 3.806 20 5 HHBDMN CCOc1cc(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC001626000391 1074072145 /nfs/dbraw/zinc/07/21/45/1074072145.db2.gz WXKSKKWNDWUOFD-OAHLLOKOSA-N 0 1 413.478 3.736 20 5 HHBDMN CC(C)(c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000573590265 1074562419 /nfs/dbraw/zinc/56/24/19/1074562419.db2.gz HVAGDENWXGMMJS-UHFFFAOYSA-N 0 1 408.393 3.819 20 5 HHBDMN Cc1ccc(CN2CCOC3(CCN(c4ncc([N+](=O)[O-])cc4Cl)CC3)C2)cc1 ZINC001164938828 721921243 /nfs/dbraw/zinc/92/12/43/721921243.db2.gz RYQAODFRNGEXGH-UHFFFAOYSA-N 0 1 416.909 3.823 20 5 HHBDMN COc1c(C)cnc(CN2CCC(N(C)c3ncc([N+](=O)[O-])cc3Cl)CC2)c1C ZINC000301261561 970840885 /nfs/dbraw/zinc/84/08/85/970840885.db2.gz GKJFVWZNJMBTEA-UHFFFAOYSA-N 0 1 419.913 3.764 20 5 HHBDMN COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000301325847 970868894 /nfs/dbraw/zinc/86/88/94/970868894.db2.gz ARLWSDKXIRRBMR-GASCZTMLSA-N 0 1 403.454 3.964 20 5 HHBDMN CC[C@H](C)CN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000303563884 971857837 /nfs/dbraw/zinc/85/78/37/971857837.db2.gz XSJRNITXOFINBX-AWEZNQCLSA-N 0 1 405.476 3.514 20 5 HHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000303739262 971993356 /nfs/dbraw/zinc/99/33/56/971993356.db2.gz HVPMNXPNARCTJD-GOEBONIOSA-N 0 1 419.445 3.628 20 5 HHBDMN C[C@H](N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000524339657 1013165730 /nfs/dbraw/zinc/16/57/30/1013165730.db2.gz CNGKJJRSLTVDKQ-YVEFUNNKSA-N 0 1 409.364 3.950 20 5 HHBDMN Cc1cc(-c2nc(C3CC3)no2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000542236113 1013192878 /nfs/dbraw/zinc/19/28/78/1013192878.db2.gz BWWYIRCLSWKZST-UHFFFAOYSA-N 0 1 414.443 3.940 20 5 HHBDMN Cc1n[nH]c(CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)n1 ZINC000537639421 1013196666 /nfs/dbraw/zinc/19/66/66/1013196666.db2.gz JIUXJCQQCLEBOM-UHFFFAOYSA-N 0 1 417.878 3.798 20 5 HHBDMN Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1 ZINC000005867657 960793768 /nfs/dbraw/zinc/79/37/68/960793768.db2.gz RNZCRGJZZFWMMC-NSHDSACASA-N 0 1 401.423 3.947 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)cc1 ZINC000006287660 960878705 /nfs/dbraw/zinc/87/87/05/960878705.db2.gz AUIKICZGNOWJGG-LJQANCHMSA-N 0 1 403.866 3.824 20 5 HHBDMN CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000542256723 1013216608 /nfs/dbraw/zinc/21/66/08/1013216608.db2.gz ZIJUCYBYXYYMQF-MRXNPFEDSA-N 0 1 414.430 3.711 20 5 HHBDMN CN(c1ccccc1)c1ccc([C@H]2NC(=N)Nc3nc4ccccc4n32)cc1[N+](=O)[O-] ZINC000007126696 961030645 /nfs/dbraw/zinc/03/06/45/961030645.db2.gz ULLYPIZNFDPTSF-FQEVSTJZSA-N 0 1 413.441 4.000 20 5 HHBDMN CCC[NH+]1CCC(Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000007230231 961079040 /nfs/dbraw/zinc/07/90/40/961079040.db2.gz CFHWWPPXGVXROS-UHFFFAOYSA-N 0 1 418.519 3.682 20 5 HHBDMN COc1ccc([C@@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1Br ZINC000007879322 961360135 /nfs/dbraw/zinc/36/01/35/961360135.db2.gz XMWXWTPFEHLCEW-LLVKDONJSA-N 0 1 408.252 3.655 20 5 HHBDMN Cc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n[nH]1 ZINC000553294340 1013251659 /nfs/dbraw/zinc/25/16/59/1013251659.db2.gz LREDLPZWISJWEA-NSHDSACASA-N 0 1 414.853 3.778 20 5 HHBDMN CCCCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000010127086 961747072 /nfs/dbraw/zinc/74/70/72/961747072.db2.gz PJBYRFXUSQWPQL-UHFFFAOYSA-N 0 1 405.476 3.576 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000012839319 962335962 /nfs/dbraw/zinc/33/59/62/962335962.db2.gz QKNVPTPBXHADJM-SOFGYWHQSA-N 0 1 415.431 3.524 20 5 HHBDMN CN1CC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000542381952 1013336187 /nfs/dbraw/zinc/33/61/87/1013336187.db2.gz SXPQQCYCCOOGAF-KXBFYZLASA-N 0 1 405.907 3.902 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000015734711 962850162 /nfs/dbraw/zinc/85/01/62/962850162.db2.gz VTHUSZZPPWMMHJ-UHFFFAOYSA-N 0 1 417.487 3.576 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000016127268 962955427 /nfs/dbraw/zinc/95/54/27/962955427.db2.gz VJUDYSDFQFCNSG-UHFFFAOYSA-N 0 1 403.382 3.789 20 5 HHBDMN COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC000023388936 963815707 /nfs/dbraw/zinc/81/57/07/963815707.db2.gz YIZNIWAJRQHLOB-OAQYLSRUSA-N 0 1 402.410 3.999 20 5 HHBDMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000542529011 1013470730 /nfs/dbraw/zinc/47/07/30/1013470730.db2.gz JZGRPEODUWYLKV-CMPLNLGQSA-N 0 1 413.400 3.648 20 5 HHBDMN COc1ccc(NC(=O)CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000051133250 964470549 /nfs/dbraw/zinc/47/05/49/964470549.db2.gz JTNAELMHTHELFR-VGOFRKELSA-N 0 1 413.474 3.642 20 5 HHBDMN COc1ccc(NC(=O)CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000051133249 964470609 /nfs/dbraw/zinc/47/06/09/964470609.db2.gz JTNAELMHTHELFR-HTAPYJJXSA-N 0 1 413.474 3.642 20 5 HHBDMN Cc1cc(NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000553651507 1013522568 /nfs/dbraw/zinc/52/25/68/1013522568.db2.gz VFQYUNRFTUZVEJ-UHFFFAOYSA-N 0 1 413.865 3.572 20 5 HHBDMN CC1CCN(c2ccc(C(=O)NC[C@H](c3cccs3)N(C)C)cc2[N+](=O)[O-])CC1 ZINC000027317338 964848538 /nfs/dbraw/zinc/84/85/38/964848538.db2.gz XSFUNSLKJKNCRN-LJQANCHMSA-N 0 1 416.547 3.925 20 5 HHBDMN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000027343853 964857861 /nfs/dbraw/zinc/85/78/61/964857861.db2.gz RAAOTWYKDYRWHL-IBGZPJMESA-N 0 1 403.866 3.580 20 5 HHBDMN COc1cc(CN2CCN(Cc3cccc(C)c3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000027358609 964862713 /nfs/dbraw/zinc/86/27/13/964862713.db2.gz YDEBGTSJHCBHCP-UHFFFAOYSA-N 0 1 421.444 3.831 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC)N2CCCCC2)cc1 ZINC000027668349 964940109 /nfs/dbraw/zinc/94/01/09/964940109.db2.gz GQYJCEGGCVXQOH-HXUWFJFHSA-N 0 1 413.474 3.569 20 5 HHBDMN COc1ccc(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000052829909 964996543 /nfs/dbraw/zinc/99/65/43/964996543.db2.gz AROPYQSZEYTQCJ-AWEZNQCLSA-N 0 1 404.854 3.503 20 5 HHBDMN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000028335442 965078908 /nfs/dbraw/zinc/07/89/08/965078908.db2.gz KYVPWUCXSBWLKV-VXGBXAGGSA-N 0 1 404.854 3.884 20 5 HHBDMN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000028335437 965079140 /nfs/dbraw/zinc/07/91/40/965079140.db2.gz KYVPWUCXSBWLKV-RYUDHWBXSA-N 0 1 404.854 3.884 20 5 HHBDMN CNC(=O)c1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000053553298 965213604 /nfs/dbraw/zinc/21/36/04/965213604.db2.gz HLVMVMXLEHJQJO-UHFFFAOYSA-N 0 1 402.882 3.684 20 5 HHBDMN CNC(=O)c1ccc(NC[C@H](c2ccccc2OC)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000053574744 965220748 /nfs/dbraw/zinc/22/07/48/965220748.db2.gz OGAAKYNCRDEEOQ-HXUWFJFHSA-N 0 1 412.490 3.602 20 5 HHBDMN CC[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000029908704 965553461 /nfs/dbraw/zinc/55/34/61/965553461.db2.gz DZGJXBYAKVXZNH-HXUWFJFHSA-N 0 1 408.502 3.736 20 5 HHBDMN C[C@H](C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000542652045 1013582378 /nfs/dbraw/zinc/58/23/78/1013582378.db2.gz UIXBBIZMAITQTI-UGSOOPFHSA-N 0 1 409.421 3.986 20 5 HHBDMN C[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000542652045 1013582383 /nfs/dbraw/zinc/58/23/83/1013582383.db2.gz UIXBBIZMAITQTI-UGSOOPFHSA-N 0 1 409.421 3.986 20 5 HHBDMN COc1ccccc1[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000542683540 1013604161 /nfs/dbraw/zinc/60/41/61/1013604161.db2.gz RNJTXKLMMUYBFS-OAQYLSRUSA-N 0 1 418.515 3.898 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2ccc(-c3ccccc3)s2)cc1 ZINC000542692844 1013611073 /nfs/dbraw/zinc/61/10/73/1013611073.db2.gz PBZIOUVEKNBOGE-UHFFFAOYSA-N 0 1 402.497 3.887 20 5 HHBDMN CCN(CCN1CCCCCC1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000553802010 1013625511 /nfs/dbraw/zinc/62/55/11/1013625511.db2.gz WUDUPUCVCIHGOQ-UHFFFAOYSA-N 0 1 404.330 3.757 20 5 HHBDMN C[C@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056159843 966239797 /nfs/dbraw/zinc/23/97/97/966239797.db2.gz WCOCZRZHMGXRIR-KBPBESRZSA-N 0 1 411.462 3.557 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)c1 ZINC000542729114 1013640753 /nfs/dbraw/zinc/64/07/53/1013640753.db2.gz OSBBXKZXGCVRSK-QGZVFWFLSA-N 0 1 416.459 3.740 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000060919758 966327170 /nfs/dbraw/zinc/32/71/70/966327170.db2.gz CCXRHNUSBLIVTM-KRWDZBQOSA-N 0 1 400.460 3.614 20 5 HHBDMN C[C@H]1CCC[C@@H](NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000033181210 966386595 /nfs/dbraw/zinc/38/65/95/966386595.db2.gz CPOWYGPSZILNCV-WMLDXEAASA-N 0 1 417.487 3.704 20 5 HHBDMN CCCCCCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036661270 966437780 /nfs/dbraw/zinc/43/77/80/966437780.db2.gz KUCREYPRMMRRTE-UHFFFAOYSA-N 0 1 405.476 3.706 20 5 HHBDMN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000538101288 1013670522 /nfs/dbraw/zinc/67/05/22/1013670522.db2.gz URUAGNKLGOPSQX-DOTOQJQBSA-N 0 1 404.785 3.524 20 5 HHBDMN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000538101292 1013670572 /nfs/dbraw/zinc/67/05/72/1013670572.db2.gz URUAGNKLGOPSQX-NVXWUHKLSA-N 0 1 404.785 3.524 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000043111230 966908142 /nfs/dbraw/zinc/90/81/42/966908142.db2.gz JFMXGPJOXXHEDU-OAQYLSRUSA-N 0 1 412.490 3.582 20 5 HHBDMN COc1cc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OC(C)C ZINC000538153250 1013713695 /nfs/dbraw/zinc/71/36/95/1013713695.db2.gz RFLSRLJTANCUHB-OAHLLOKOSA-N 0 1 401.463 3.988 20 5 HHBDMN Cc1c([C@@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cnn1-c1ccc(F)cc1 ZINC000046359791 967763060 /nfs/dbraw/zinc/76/30/60/967763060.db2.gz CCSCRXUFOSCQEI-LLVKDONJSA-N 0 1 408.393 3.595 20 5 HHBDMN O=C(CN[C@H](c1ccccc1F)C1CCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000538225635 1013774485 /nfs/dbraw/zinc/77/44/85/1013774485.db2.gz ZAYLCNJDGYXVIM-NRFANRHFSA-N 0 1 415.421 3.922 20 5 HHBDMN O=C(CNC1(c2ccc(F)cc2F)CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000538233847 1013782296 /nfs/dbraw/zinc/78/22/96/1013782296.db2.gz XSXNZOZDQKVAGV-UHFFFAOYSA-N 0 1 401.413 3.821 20 5 HHBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000072058225 968963834 /nfs/dbraw/zinc/96/38/34/968963834.db2.gz GWMCJXRGHWTWLH-UHFFFAOYSA-N 0 1 414.531 3.893 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000072069350 968970205 /nfs/dbraw/zinc/97/02/05/968970205.db2.gz BCECDZVEZQVCRN-UHFFFAOYSA-N 0 1 410.474 3.970 20 5 HHBDMN CC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCc2ccccc2C1 ZINC000106020914 969281632 /nfs/dbraw/zinc/28/16/32/969281632.db2.gz TYHBTJGLBASLLA-HXUWFJFHSA-N 0 1 422.529 3.762 20 5 HHBDMN CN(CCCN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccco1 ZINC000554407845 1013936672 /nfs/dbraw/zinc/93/66/72/1013936672.db2.gz YJLRRJMHYIHTAH-UHFFFAOYSA-N 0 1 412.393 3.775 20 5 HHBDMN COc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Br ZINC000216016790 970060606 /nfs/dbraw/zinc/06/06/06/970060606.db2.gz CVKQFWLTEAMFOK-GFCCVEGCSA-N 0 1 422.279 3.964 20 5 HHBDMN CCc1cc(N2CCC[C@@H](NCc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)ncn1 ZINC000237089996 970220192 /nfs/dbraw/zinc/22/01/92/970220192.db2.gz PESSBBDYBGSNFU-QGZVFWFLSA-N 0 1 424.530 3.829 20 5 HHBDMN CN1CCN(c2ccc(C(F)(F)F)cc2CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000237234518 970246367 /nfs/dbraw/zinc/24/63/67/970246367.db2.gz VHTIAWPEFLEHJQ-UHFFFAOYSA-N 0 1 414.453 3.717 20 5 HHBDMN Cc1ccc(S(=O)(=O)NC[C@H]2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000251287547 970543666 /nfs/dbraw/zinc/54/36/66/970543666.db2.gz TXFGCZDMGXNKFU-QZTJIDSGSA-N 0 1 417.531 3.655 20 5 HHBDMN Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301058643 970726615 /nfs/dbraw/zinc/72/66/15/970726615.db2.gz AXFNYHNMVCSLHV-LJQANCHMSA-N 0 1 419.485 3.636 20 5 HHBDMN COc1ccccc1[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])N1CCCC1 ZINC000301087600 970741937 /nfs/dbraw/zinc/74/19/37/970741937.db2.gz XRWIFFZMPXFWIQ-IBGZPJMESA-N 0 1 409.446 3.501 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000323487964 972712649 /nfs/dbraw/zinc/71/26/49/972712649.db2.gz LRJPMXVRPOUOJP-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN O=C(c1cccc([N+](=O)[O-])c1Br)N1CCCN(Cc2ccccc2)CC1 ZINC000323684139 972714633 /nfs/dbraw/zinc/71/46/33/972714633.db2.gz ZQNIQRIKJPWSPM-UHFFFAOYSA-N 0 1 418.291 3.705 20 5 HHBDMN Cc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(F)cc1Br ZINC000323975936 972718042 /nfs/dbraw/zinc/71/80/42/972718042.db2.gz XCLZFMSLQUJWFU-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000327830590 972762697 /nfs/dbraw/zinc/76/26/97/972762697.db2.gz MQIBQRFXPCQFLS-GFCCVEGCSA-N 0 1 402.856 3.903 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCCC12CCOCC2 ZINC000409920412 973381326 /nfs/dbraw/zinc/38/13/26/973381326.db2.gz COYYIVNIPPYWNS-CYBMUJFWSA-N 0 1 409.291 3.529 20 5 HHBDMN Cc1ccc(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000410370734 973966814 /nfs/dbraw/zinc/96/68/14/973966814.db2.gz YJHKNPSABHHIHG-CALCHBBNSA-N 0 1 412.490 3.834 20 5 HHBDMN COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Br)cc1[N+](=O)[O-] ZINC000410395919 973995151 /nfs/dbraw/zinc/99/51/51/973995151.db2.gz SCYFIBWAMFXZPZ-UHFFFAOYSA-N 0 1 421.656 3.820 20 5 HHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(OCC(F)(F)F)c(F)c3)CC2)n1 ZINC000425993170 974105652 /nfs/dbraw/zinc/10/56/52/974105652.db2.gz JRAOHWXXTDOFJW-UHFFFAOYSA-N 0 1 402.348 3.709 20 5 HHBDMN CN(C)[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccc(F)c1 ZINC000426256877 974350398 /nfs/dbraw/zinc/35/03/98/974350398.db2.gz PTMRXHNGLDHLCQ-HXUWFJFHSA-N 0 1 400.454 3.711 20 5 HHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC000426261064 974354200 /nfs/dbraw/zinc/35/42/00/974354200.db2.gz NUXLZBFNEMEUSM-NXEZZACHSA-N 0 1 414.388 3.806 20 5 HHBDMN COCCN(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000426516580 974501111 /nfs/dbraw/zinc/50/11/11/974501111.db2.gz NVNCRRPNCZUYFV-JOCHJYFZSA-N 0 1 422.485 3.685 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426897364 974738897 /nfs/dbraw/zinc/73/88/97/974738897.db2.gz OWXFPUUWKAFYGJ-HNNXBMFYSA-N 0 1 423.391 3.627 20 5 HHBDMN Cc1cccc2nc(CCC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)[nH]c21 ZINC000426919830 974753818 /nfs/dbraw/zinc/75/38/18/974753818.db2.gz YVQLAPGUZHESCN-UHFFFAOYSA-N 0 1 408.458 3.782 20 5 HHBDMN COc1ccccc1[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000427774794 975281463 /nfs/dbraw/zinc/28/14/63/975281463.db2.gz BHRNJJSCFYHNRV-SFHVURJKSA-N 0 1 422.846 3.918 20 5 HHBDMN C[C@H](N[C@@H](C)[C@@H]1OCCc2sccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000427824265 975309478 /nfs/dbraw/zinc/30/94/78/975309478.db2.gz DTKDHHIROTWMDC-DINDLPBHSA-N 0 1 409.895 3.929 20 5 HHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1OCCc2sccc21 ZINC000427824271 975309560 /nfs/dbraw/zinc/30/95/60/975309560.db2.gz DTKDHHIROTWMDC-VGTOOOLASA-N 0 1 409.895 3.929 20 5 HHBDMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430592828 977648223 /nfs/dbraw/zinc/64/82/23/977648223.db2.gz ICGNDQAPDQZWHM-UHFFFAOYSA-N 0 1 419.235 3.529 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccn(C2CCCC2)n1 ZINC000431272926 978158610 /nfs/dbraw/zinc/15/86/10/978158610.db2.gz BXIGJLIHRAZBIC-UHFFFAOYSA-N 0 1 419.290 3.692 20 5 HHBDMN C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000431918355 978600267 /nfs/dbraw/zinc/60/02/67/978600267.db2.gz HJOAPHCEFMQDLJ-HOCLYGCPSA-N 0 1 423.922 3.580 20 5 HHBDMN C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000431918355 978600271 /nfs/dbraw/zinc/60/02/71/978600271.db2.gz HJOAPHCEFMQDLJ-HOCLYGCPSA-N 0 1 423.922 3.580 20 5 HHBDMN CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2)n1 ZINC000432194322 978708297 /nfs/dbraw/zinc/70/82/97/978708297.db2.gz OEOHZPKNKKXHFL-UHFFFAOYSA-N 0 1 402.432 3.625 20 5 HHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)c2C)o1 ZINC000434499858 980212828 /nfs/dbraw/zinc/21/28/28/980212828.db2.gz OADOYJMUOSTYQX-UHFFFAOYSA-N 0 1 405.208 4.210 20 5 HHBDMN O=C1C[C@]2(CCN(Cc3ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c3)C2)CN1 ZINC000435062226 980606221 /nfs/dbraw/zinc/60/62/21/980606221.db2.gz YEORLVLPOPQDFN-HXUWFJFHSA-N 0 1 401.850 3.753 20 5 HHBDMN COc1cc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccc1Cl ZINC000435467363 980880681 /nfs/dbraw/zinc/88/06/81/980880681.db2.gz FWYZMPGCURFBPU-UHFFFAOYSA-N 0 1 401.810 3.613 20 5 HHBDMN Cc1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cnn1-c1cc(C)ccc1C ZINC000435467930 980881244 /nfs/dbraw/zinc/88/12/44/980881244.db2.gz MACPPZBVCDNMSD-UHFFFAOYSA-N 0 1 417.429 3.743 20 5 HHBDMN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Br)s1 ZINC000435998616 981142866 /nfs/dbraw/zinc/14/28/66/981142866.db2.gz WAQMIFSUXMRMCB-GWCFXTLKSA-N 0 1 410.293 3.875 20 5 HHBDMN CC(=O)Nc1cccc(Nc2nnc(SCc3cc(O)ccc3[N+](=O)[O-])s2)c1 ZINC000436473596 981392408 /nfs/dbraw/zinc/39/24/08/981392408.db2.gz HSDHILKTDQHUDH-UHFFFAOYSA-N 0 1 417.472 4.146 20 5 HHBDMN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000436745624 981541943 /nfs/dbraw/zinc/54/19/43/981541943.db2.gz ACLUAGKCHMJRFI-UHFFFAOYSA-N 0 1 417.465 3.848 20 5 HHBDMN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000436982523 981665871 /nfs/dbraw/zinc/66/58/71/981665871.db2.gz UUBXESUMFFQLEI-KRWDZBQOSA-N 0 1 421.457 3.505 20 5 HHBDMN Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436994114 981673958 /nfs/dbraw/zinc/67/39/58/981673958.db2.gz AWOQPRUOTPIGSQ-SFHVURJKSA-N 0 1 421.457 3.505 20 5 HHBDMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437050623 981721320 /nfs/dbraw/zinc/72/13/20/981721320.db2.gz NFEMPHGDBFXVAN-UHFFFAOYSA-N 0 1 408.336 3.786 20 5 HHBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000437589391 982214262 /nfs/dbraw/zinc/21/42/62/982214262.db2.gz LFBPPSLZZBXDDG-UHFFFAOYSA-N 0 1 413.478 3.698 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000437606911 982228850 /nfs/dbraw/zinc/22/88/50/982228850.db2.gz RICFXWULDDEEHP-LJQANCHMSA-N 0 1 423.473 3.656 20 5 HHBDMN CCCOc1cc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c([N+](=O)[O-])cc1OCCC ZINC000437615532 982235555 /nfs/dbraw/zinc/23/55/55/982235555.db2.gz PMMRXSJOCKIKFG-MRXNPFEDSA-N 0 1 418.494 3.650 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)N(C)C)c1 ZINC000437697735 982303488 /nfs/dbraw/zinc/30/34/88/982303488.db2.gz HNFJHNGRNZNXAY-OAQYLSRUSA-N 0 1 412.490 3.580 20 5 HHBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCN(c2ccccc2)CC1 ZINC000438993435 983199937 /nfs/dbraw/zinc/19/99/37/983199937.db2.gz KGWNVRKHDIZQOO-UHFFFAOYSA-N 0 1 402.882 3.788 20 5 HHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000439043606 983225053 /nfs/dbraw/zinc/22/50/53/983225053.db2.gz NSIMBGOEVBHYMG-UHFFFAOYSA-N 0 1 416.909 3.880 20 5 HHBDMN COc1cc(CN2CCC([C@@H]3CCCO3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000439267741 983338911 /nfs/dbraw/zinc/33/89/11/983338911.db2.gz AICUIXICSJBRNZ-INIZCTEOSA-N 0 1 400.422 3.638 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2-c2nncn2C(C)C)c1C ZINC000439889009 983571762 /nfs/dbraw/zinc/57/17/62/983571762.db2.gz RXWWGYLKSAZDJD-UHFFFAOYSA-N 0 1 415.475 3.852 20 5 HHBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440545448 983791295 /nfs/dbraw/zinc/79/12/95/983791295.db2.gz VAONSHIMLLUXNM-UHFFFAOYSA-N 0 1 418.881 3.651 20 5 HHBDMN C[C@@H](O)CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441242766 984134378 /nfs/dbraw/zinc/13/43/78/984134378.db2.gz VJLVEPILZYOHMC-JKSUJKDBSA-N 0 1 419.909 3.525 20 5 HHBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000441539137 984311016 /nfs/dbraw/zinc/31/10/16/984311016.db2.gz AFFQOMYPSIZCTE-SECBINFHSA-N 0 1 408.329 3.672 20 5 HHBDMN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000441553993 984319406 /nfs/dbraw/zinc/31/94/06/984319406.db2.gz VNFKGWPDLDQKLO-MRXNPFEDSA-N 0 1 420.878 3.959 20 5 HHBDMN COc1ccc(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1F ZINC000462278905 985267879 /nfs/dbraw/zinc/26/78/79/985267879.db2.gz NOUKUTSSLJPXCN-UHFFFAOYSA-N 0 1 423.249 3.570 20 5 HHBDMN C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)cc(Cl)c2O1 ZINC000462370509 985356223 /nfs/dbraw/zinc/35/62/23/985356223.db2.gz QSDDXNVCWUETTI-SNVBAGLBSA-N 0 1 419.846 3.921 20 5 HHBDMN C[C@H](CCc1cccn1C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462400217 985377665 /nfs/dbraw/zinc/37/76/65/985377665.db2.gz DWOXRFXHEWCOJD-SNVBAGLBSA-N 0 1 406.291 3.540 20 5 HHBDMN C[NH+](C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000462469806 985427698 /nfs/dbraw/zinc/42/76/98/985427698.db2.gz RXSIJHPGQYPFDR-LBPRGKRZSA-N 0 1 424.331 3.544 20 5 HHBDMN CN(C)[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000462469806 985427702 /nfs/dbraw/zinc/42/77/02/985427702.db2.gz RXSIJHPGQYPFDR-LBPRGKRZSA-N 0 1 424.331 3.544 20 5 HHBDMN C[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1ccccc1F ZINC000462704540 985648232 /nfs/dbraw/zinc/64/82/32/985648232.db2.gz PCDSGQQCDBRKLT-VIFPVBQESA-N 0 1 423.249 3.787 20 5 HHBDMN CN1CCC[C@@H](CNc2ncc([N+](=O)[O-])s2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000443514972 985685746 /nfs/dbraw/zinc/68/57/46/985685746.db2.gz AHADZBJLDFNBGY-SWLSCSKDSA-N 0 1 400.426 4.565 20 5 HHBDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000443679371 985890237 /nfs/dbraw/zinc/89/02/37/985890237.db2.gz ZQJYXJCBGUGFNG-UHFFFAOYSA-N 0 1 407.308 3.573 20 5 HHBDMN CC[C@@]1(C)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000468259888 985961829 /nfs/dbraw/zinc/96/18/29/985961829.db2.gz IVXVWQMCMWJODW-FQEVSTJZSA-N 0 1 417.487 3.658 20 5 HHBDMN CCN(CC(C)(C)C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000463014618 985969453 /nfs/dbraw/zinc/96/94/53/985969453.db2.gz UYNKAPDWIZJSRW-UHFFFAOYSA-N 0 1 419.503 3.904 20 5 HHBDMN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000443999290 986197878 /nfs/dbraw/zinc/19/78/78/986197878.db2.gz AEWLWIUVUWNOGJ-KBPBESRZSA-N 0 1 413.468 3.952 20 5 HHBDMN CC[C@H]1CCCCN1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444023095 986215590 /nfs/dbraw/zinc/21/55/90/986215590.db2.gz NBVVIPVYLMJANY-HNNXBMFYSA-N 0 1 413.468 3.954 20 5 HHBDMN COC1CCC(N(C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000444153499 986335787 /nfs/dbraw/zinc/33/57/87/986335787.db2.gz ROQRFOWHNPMJBP-UHFFFAOYSA-N 0 1 404.492 3.546 20 5 HHBDMN COc1ccc(NC(=O)CN(C[C@@H]2CCCO2)C2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000444189805 986367978 /nfs/dbraw/zinc/36/79/78/986367978.db2.gz GLUWJGKUOBHGOB-HTWSVDAQSA-N 0 1 405.495 3.602 20 5 HHBDMN Cc1cc(C2CCN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)CC2)n[nH]1 ZINC000444289154 986476277 /nfs/dbraw/zinc/47/62/77/986476277.db2.gz MKIUWWBMNPUXEC-UHFFFAOYSA-N 0 1 404.445 3.872 20 5 HHBDMN COc1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1[N+](=O)[O-] ZINC000444354605 986536027 /nfs/dbraw/zinc/53/60/27/986536027.db2.gz YFBFDJFLVBPXLP-OAHLLOKOSA-N 0 1 413.478 3.789 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCC(F)F)cc2)c2ncccc12 ZINC000463774001 986764537 /nfs/dbraw/zinc/76/45/37/986764537.db2.gz ISWZKIJZVYLMRF-UHFFFAOYSA-N 0 1 409.370 3.588 20 5 HHBDMN COc1ccc(SCCCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000444686204 986866003 /nfs/dbraw/zinc/86/60/03/986866003.db2.gz BYSUUKMLMNVPHL-UHFFFAOYSA-N 0 1 413.459 3.900 20 5 HHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000444746426 986911149 /nfs/dbraw/zinc/91/11/49/986911149.db2.gz VLDLPUZBQHNVLT-NSHDSACASA-N 0 1 408.252 3.655 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC)N1CCCC1 ZINC000444920350 987068471 /nfs/dbraw/zinc/06/84/71/987068471.db2.gz KAEOBNMCLAURAV-SFHVURJKSA-N 0 1 414.462 3.571 20 5 HHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469455458 987141214 /nfs/dbraw/zinc/14/12/14/987141214.db2.gz VOYJBODXTZOQRG-CYBMUJFWSA-N 0 1 403.385 3.661 20 5 HHBDMN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000445129525 987230329 /nfs/dbraw/zinc/23/03/29/987230329.db2.gz CSPWHXGDXSDSCR-HNNXBMFYSA-N 0 1 413.481 3.697 20 5 HHBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464578984 988756319 /nfs/dbraw/zinc/75/63/19/988756319.db2.gz QQOCJOSJUKMZDX-UHFFFAOYSA-N 0 1 414.219 3.827 20 5 HHBDMN C[C@H](Cc1ccccc1Br)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000470743039 988782745 /nfs/dbraw/zinc/78/27/45/988782745.db2.gz FSFXARKNDFCQDE-SNVBAGLBSA-N 0 1 403.236 3.595 20 5 HHBDMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000464735101 988955609 /nfs/dbraw/zinc/95/56/09/988955609.db2.gz MJZSGIBOKGLTPL-CQSZACIVSA-N 0 1 417.428 3.616 20 5 HHBDMN C[C@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C(C)(C)C1 ZINC000471716434 989914083 /nfs/dbraw/zinc/91/40/83/989914083.db2.gz NGHJMZQXBREARY-CQSZACIVSA-N 0 1 417.487 3.656 20 5 HHBDMN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000471828430 990007179 /nfs/dbraw/zinc/00/71/79/990007179.db2.gz VJUSMNRYOIPAEO-OAHLLOKOSA-N 0 1 421.457 3.988 20 5 HHBDMN CCc1ccc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000471916009 990083783 /nfs/dbraw/zinc/08/37/83/990083783.db2.gz WDKURIZVBPVXJH-HNNXBMFYSA-N 0 1 414.481 3.539 20 5 HHBDMN Cc1ccc(NC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000467105554 992413892 /nfs/dbraw/zinc/41/38/92/992413892.db2.gz XATOBCNPQONARI-HNNXBMFYSA-N 0 1 420.351 3.951 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000467781156 993019248 /nfs/dbraw/zinc/01/92/48/993019248.db2.gz BFFQYDQPGXENAQ-QWHCGFSZSA-N 0 1 419.290 3.560 20 5 HHBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000467798354 993033423 /nfs/dbraw/zinc/03/34/23/993033423.db2.gz XMVKMMSDWWSSAF-CYBMUJFWSA-N 0 1 401.419 3.835 20 5 HHBDMN COc1ccc2c(c1)[C@@H](N(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1)CCO2 ZINC000472234857 993263437 /nfs/dbraw/zinc/26/34/37/993263437.db2.gz UALMJFAOGQLRHT-NRFANRHFSA-N 0 1 408.458 3.826 20 5 HHBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000480746047 993612797 /nfs/dbraw/zinc/61/27/97/993612797.db2.gz XQAIIVAYINLDPB-UHFFFAOYSA-N 0 1 421.563 3.671 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000481379482 994210904 /nfs/dbraw/zinc/21/09/04/994210904.db2.gz ZTZNYQMOFBYUKV-QGZVFWFLSA-N 0 1 417.531 3.716 20 5 HHBDMN CC(C)CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCc2cccnc21 ZINC000481430500 994265965 /nfs/dbraw/zinc/26/59/65/994265965.db2.gz AAYWILBVHMSIQG-NRFANRHFSA-N 0 1 408.502 3.915 20 5 HHBDMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000481479558 994313229 /nfs/dbraw/zinc/31/32/29/994313229.db2.gz DTEKHABWBNKEBQ-XCLFUZPHSA-N 0 1 403.866 3.503 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000481571742 994408546 /nfs/dbraw/zinc/40/85/46/994408546.db2.gz PXDZRMRPIREGBL-UHFFFAOYSA-N 0 1 402.806 3.693 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)CCN2C2CC2)c1 ZINC000482042755 994964471 /nfs/dbraw/zinc/96/44/71/994964471.db2.gz CUZYBKSPMJPQPB-PGRDOPGGSA-N 0 1 420.469 3.793 20 5 HHBDMN COc1cccc([C@H]2[C@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000482099759 995045016 /nfs/dbraw/zinc/04/50/16/995045016.db2.gz HMINOACFTRHYCJ-UXHICEINSA-N 0 1 415.877 3.965 20 5 HHBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccc(Br)cc2Cl)c1[N+](=O)[O-] ZINC000482354976 995335215 /nfs/dbraw/zinc/33/52/15/995335215.db2.gz ZVZFHYOFQYJJAG-UHFFFAOYSA-N 0 1 415.675 3.959 20 5 HHBDMN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3cc(CN(C)C)ccn3)cc2[N+](=O)[O-])C1 ZINC000482361139 995342607 /nfs/dbraw/zinc/34/26/07/995342607.db2.gz GDFLHCPTXZWLPF-HOTGVXAUSA-N 0 1 411.506 3.786 20 5 HHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000482828760 995776822 /nfs/dbraw/zinc/77/68/22/995776822.db2.gz POTCURVLBOFBCO-CQSZACIVSA-N 0 1 411.487 3.966 20 5 HHBDMN COC(=O)COc1ccc(CN2C[C@@H](C)C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475720731 996322944 /nfs/dbraw/zinc/32/29/44/996322944.db2.gz AWFOAFMRGGZUSA-KBXCAEBGSA-N 0 1 402.422 3.869 20 5 HHBDMN CS[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000476058825 996572476 /nfs/dbraw/zinc/57/24/76/996572476.db2.gz FINALXPXBZQDMG-LEWJYISDSA-N 0 1 411.527 3.842 20 5 HHBDMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000484187347 996624274 /nfs/dbraw/zinc/62/42/74/996624274.db2.gz JQUWIGZUKSDCFS-LJQANCHMSA-N 0 1 418.413 3.761 20 5 HHBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nccn1CCc1ccccc1 ZINC000484291257 996682829 /nfs/dbraw/zinc/68/28/29/996682829.db2.gz MOELQPBUKADJDF-KRWDZBQOSA-N 0 1 407.474 3.541 20 5 HHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000484791539 997143298 /nfs/dbraw/zinc/14/32/98/997143298.db2.gz WVXADCPJYHRONL-VHSXEESVSA-N 0 1 400.806 3.895 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1SC ZINC000484848822 997212985 /nfs/dbraw/zinc/21/29/85/997212985.db2.gz PTITXWKDZUICOJ-MRXNPFEDSA-N 0 1 415.515 3.720 20 5 HHBDMN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(OC(F)(F)F)cc1 ZINC000484892739 997259538 /nfs/dbraw/zinc/25/95/38/997259538.db2.gz KOWJYISIPQQJKB-LBPRGKRZSA-N 0 1 409.364 3.733 20 5 HHBDMN O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476853540 997422549 /nfs/dbraw/zinc/42/25/49/997422549.db2.gz 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O=C(Cc1ccc([N+](=O)[O-])cc1F)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000477330909 998019182 /nfs/dbraw/zinc/01/91/82/998019182.db2.gz NLOKXPJCZGJLME-LJQANCHMSA-N 0 1 405.857 3.883 20 5 HHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])c1 ZINC000485831267 998297608 /nfs/dbraw/zinc/29/76/08/998297608.db2.gz GNFTXXAAUSIDPM-VXGBXAGGSA-N 0 1 400.460 3.891 20 5 HHBDMN C[C@H]1CN(Cc2ccc(CNc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)C[C@H](C)O1 ZINC000486156752 998606115 /nfs/dbraw/zinc/60/61/15/998606115.db2.gz LMGNXDKPMPCVKA-HOTGVXAUSA-N 0 1 423.473 3.866 20 5 HHBDMN COc1ccc([C@H](C[N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[NH+]2CCCC2)cc1 ZINC000486427245 998761948 /nfs/dbraw/zinc/76/19/48/998761948.db2.gz AZWMIWBLNRYKRC-IBGZPJMESA-N 0 1 409.446 3.902 20 5 HHBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000478982496 999233716 /nfs/dbraw/zinc/23/37/16/999233716.db2.gz KRWVDFQEENYEIP-SFHVURJKSA-N 0 1 421.494 3.505 20 5 HHBDMN 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COc1ccc(CC(=O)Nc2cc(Br)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC000536458320 1011677364 /nfs/dbraw/zinc/67/73/64/1011677364.db2.gz DWTSTFOZNRCNCN-UHFFFAOYSA-N 0 1 415.627 3.906 20 5 HHBDMN CN(C)Cc1ccc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1F ZINC000536520536 1011712288 /nfs/dbraw/zinc/71/22/88/1011712288.db2.gz UELCGVXDBAVLOB-UHFFFAOYSA-N 0 1 400.454 3.670 20 5 HHBDMN COc1cc(CN(C)CCC2CCOCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000536659624 1011807396 /nfs/dbraw/zinc/80/73/96/1011807396.db2.gz CWXPLZRJDOHWHQ-UHFFFAOYSA-N 0 1 406.401 3.793 20 5 HHBDMN COc1cc(CN(CCCO)[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000536664682 1011814564 /nfs/dbraw/zinc/81/45/64/1011814564.db2.gz VUSZYGPUKAWXBD-LJQANCHMSA-N 0 1 400.475 3.874 20 5 HHBDMN C[C@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000551816166 1011974153 /nfs/dbraw/zinc/97/41/53/1011974153.db2.gz GTSKKMHNBBHEIT-RCDICMHDSA-N 0 1 408.458 3.671 20 5 HHBDMN C[C@H](NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1Cl ZINC000536859831 1012094481 /nfs/dbraw/zinc/09/44/81/1012094481.db2.gz WPJAZZJOOAOOKV-NSHDSACASA-N 0 1 418.302 3.531 20 5 HHBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000536883712 1012131593 /nfs/dbraw/zinc/13/15/93/1012131593.db2.gz ZTHVZYKUOKMNJE-MRXNPFEDSA-N 0 1 419.485 3.776 20 5 HHBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000541442863 1012198509 /nfs/dbraw/zinc/19/85/09/1012198509.db2.gz RBPNSPHKWXMEQS-SFHVURJKSA-N 0 1 420.473 3.512 20 5 HHBDMN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000537000184 1012302888 /nfs/dbraw/zinc/30/28/88/1012302888.db2.gz RYIVTMFEQLPSDD-SNVBAGLBSA-N 0 1 417.372 3.533 20 5 HHBDMN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000523703449 1012307229 /nfs/dbraw/zinc/30/72/29/1012307229.db2.gz UEDAERCTSITZKZ-UHFFFAOYSA-N 0 1 412.837 3.886 20 5 HHBDMN CCc1ccc([C@@H](NC[C@H]2CN(CC(C)C)CCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549873 1012335939 /nfs/dbraw/zinc/33/59/39/1012335939.db2.gz KSZQOJAFQPHBEK-UNMCSNQZSA-N 0 1 401.507 3.786 20 5 HHBDMN CCOc1ccc([C@@H](C)NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000537074814 1012417104 /nfs/dbraw/zinc/41/71/04/1012417104.db2.gz WORQILURGVQXJU-HUUCEWRRSA-N 0 1 401.463 3.530 20 5 HHBDMN COCCSc1ccc([C@@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000537104029 1012470310 /nfs/dbraw/zinc/47/03/10/1012470310.db2.gz DSIJFSQZGPELPI-OAHLLOKOSA-N 0 1 415.515 3.573 20 5 HHBDMN Cc1ccc([C@H](C)NCC(=O)N(C)Cc2ccccc2Br)cc1[N+](=O)[O-] ZINC000537175788 1012583615 /nfs/dbraw/zinc/58/36/15/1012583615.db2.gz AAEHGVHXAUFHAP-AWEZNQCLSA-N 0 1 420.307 3.975 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)c1 ZINC000541813928 1012701316 /nfs/dbraw/zinc/70/13/16/1012701316.db2.gz NBOPLARJCAOIOA-KXBFYZLASA-N 0 1 423.560 3.635 20 5 HHBDMN O=[N+]([O-])c1ccc(OCCNCc2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC000537302275 1012759354 /nfs/dbraw/zinc/75/93/54/1012759354.db2.gz RWQVTWQDTYNQSN-UHFFFAOYSA-N 0 1 417.263 3.916 20 5 HHBDMN Cc1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cc([N+](=O)[O-])c1 ZINC000524127835 1012907690 /nfs/dbraw/zinc/90/76/90/1012907690.db2.gz OLFYMVNEEZYPMM-UHFFFAOYSA-N 0 1 402.208 3.703 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000542066851 1012987410 /nfs/dbraw/zinc/98/74/10/1012987410.db2.gz HYPHBUTYJMIPRY-CQSZACIVSA-N 0 1 412.368 3.503 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc3c4c(cccc42)CC3)cc1[N+](=O)[O-] ZINC000488231079 1072141441 /nfs/dbraw/zinc/14/14/41/1072141441.db2.gz LIGRGXXDXILFBY-UHFFFAOYSA-N 0 1 402.403 3.795 20 5 HHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3ccncc32)ccc1Br ZINC000760365754 1072294119 /nfs/dbraw/zinc/29/41/19/1072294119.db2.gz QOQNCEUYIZXDHI-UHFFFAOYSA-N 0 1 408.233 3.706 20 5 HHBDMN CC(C)(C)OC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(F)c1 ZINC000479393584 1072805797 /nfs/dbraw/zinc/80/57/97/1072805797.db2.gz RIFVUZLTOCHLJC-UHFFFAOYSA-N 0 1 402.425 3.552 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000589960624 1073405456 /nfs/dbraw/zinc/40/54/56/1073405456.db2.gz MYOWWJMNGXQQIX-QGZVFWFLSA-N 0 1 410.392 3.528 20 5 HHBDMN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000555404978 1073414227 /nfs/dbraw/zinc/41/42/27/1073414227.db2.gz MPNMZWYPHQLWOZ-UHFFFAOYSA-N 0 1 421.453 3.988 20 5 HHBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC000590556448 1073892103 /nfs/dbraw/zinc/89/21/03/1073892103.db2.gz MUNNLXVDAUAYGC-UHFFFAOYSA-N 0 1 413.397 3.591 20 5 HHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC000590556377 1073892263 /nfs/dbraw/zinc/89/22/63/1073892263.db2.gz FRHOHOUUGJITRR-UHFFFAOYSA-N 0 1 408.805 3.763 20 5 HHBDMN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1c(O)cccc1Cl ZINC000590597583 1073933635 /nfs/dbraw/zinc/93/36/35/1073933635.db2.gz GWPKHVYMYSYPRG-UHFFFAOYSA-N 0 1 407.629 3.517 20 5 HHBDMN Cn1ccnc1[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000573031440 1074066273 /nfs/dbraw/zinc/06/62/73/1074066273.db2.gz BUGQSYLVGCDDAL-IRLDBZIGSA-N 0 1 405.502 3.672 20 5 HHBDMN O=C(NCC1(N2CCSCC2)CCCC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000573366140 1074357514 /nfs/dbraw/zinc/35/75/14/1074357514.db2.gz FSZXYOQJYWHJQF-UHFFFAOYSA-N 0 1 417.453 3.705 20 5 HHBDMN COc1ccc(-c2ccc(CN3CC[C@H](C(F)(F)F)[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000573726551 1074638906 /nfs/dbraw/zinc/63/89/06/1074638906.db2.gz VBBILYSMAXHLEQ-WBMJQRKESA-N 0 1 414.380 3.856 20 5 HHBDMN NC(=O)c1cccc(NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000573825720 1074651640 /nfs/dbraw/zinc/65/16/40/1074651640.db2.gz SQSHCBCHYIQUMY-INIZCTEOSA-N 0 1 402.882 3.814 20 5 HHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000575054998 1075448750 /nfs/dbraw/zinc/44/87/50/1075448750.db2.gz BXRSRFXCUCAGFM-HXUWFJFHSA-N 0 1 422.485 3.756 20 5 HHBDMN Cc1ccc(CN2CCOC3(CCN(c4ncc(Cl)cc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164937289 721921045 /nfs/dbraw/zinc/92/10/45/721921045.db2.gz AVQYXKAEYCJLPS-UHFFFAOYSA-N 0 1 416.909 3.823 20 5 HHBDMN Cc1ccc(CN2CCOC3(CCN(c4nc(C)cc(C)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164940919 721927547 /nfs/dbraw/zinc/92/75/47/721927547.db2.gz WNHXLMOQUPTRPC-UHFFFAOYSA-N 0 1 410.518 3.786 20 5 HHBDMN C[NH+](C)[C@H]1CCC[C@H](Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301585509 970990474 /nfs/dbraw/zinc/99/04/74/970990474.db2.gz ORWHZGQKMSDULU-IRXDYDNUSA-N 0 1 418.519 3.680 20 5 HHBDMN C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301585511 970990935 /nfs/dbraw/zinc/99/09/35/970990935.db2.gz ORWHZGQKMSDULU-SJORKVTESA-N 0 1 418.519 3.680 20 5 HHBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000537541305 1013056590 /nfs/dbraw/zinc/05/65/90/1013056590.db2.gz VPFFTGYMBXVDHL-HNNXBMFYSA-N 0 1 413.478 3.789 20 5 HHBDMN C[C@@H](c1ccncc1)N1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301813856 971073700 /nfs/dbraw/zinc/07/37/00/971073700.db2.gz ZIUPDDPXYIYYGG-LBPRGKRZSA-N 0 1 406.284 3.785 20 5 HHBDMN CCc1nn(C)c(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000301920913 971117084 /nfs/dbraw/zinc/11/70/84/971117084.db2.gz JGLRLRUAVXSUJD-UHFFFAOYSA-N 0 1 411.428 3.622 20 5 HHBDMN CCC[C@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000301983119 971142225 /nfs/dbraw/zinc/14/22/25/971142225.db2.gz BSWHBQFKVNUGFD-KRWDZBQOSA-N 0 1 407.474 3.735 20 5 HHBDMN COc1cc(C(=O)N2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)ccc1C ZINC000302063762 971167082 /nfs/dbraw/zinc/16/70/82/971167082.db2.gz AFLLFUIACDZUFQ-UHFFFAOYSA-N 0 1 420.469 3.731 20 5 HHBDMN Cc1cc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302137482 971185202 /nfs/dbraw/zinc/18/52/02/971185202.db2.gz DOCTWPCTNLDLAU-MRXNPFEDSA-N 0 1 409.421 3.991 20 5 HHBDMN Cc1cc(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302186014 971201453 /nfs/dbraw/zinc/20/14/53/971201453.db2.gz PGZODGYIZFCHIO-UHFFFAOYSA-N 0 1 408.433 3.861 20 5 HHBDMN Cc1cc(N2CCN(c3ncnc4ccsc43)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302200021 971205968 /nfs/dbraw/zinc/20/59/68/971205968.db2.gz UURKPIDJZXWXDP-UHFFFAOYSA-N 0 1 406.471 3.783 20 5 HHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(CCc2ccccc2)CC1 ZINC000302915831 971392747 /nfs/dbraw/zinc/39/27/47/971392747.db2.gz XUMGQIPEAOOTNS-QGZVFWFLSA-N 0 1 407.474 3.566 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)cc1 ZINC000303623398 971906719 /nfs/dbraw/zinc/90/67/19/971906719.db2.gz NJXBIPSHLJFVCQ-MHZLTWQESA-N 0 1 416.480 3.703 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000303777648 972021815 /nfs/dbraw/zinc/02/18/15/972021815.db2.gz ICIAGPDFKZSCRJ-PKOBYXMFSA-N 0 1 417.531 3.577 20 5 HHBDMN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000553183831 1013142545 /nfs/dbraw/zinc/14/25/45/1013142545.db2.gz NGZNVHNONNACOS-APPDUMDISA-N 0 1 410.348 3.921 20 5 HHBDMN Cc1cccc(CN(Cc2ccccn2)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000542211145 1013157693 /nfs/dbraw/zinc/15/76/93/1013157693.db2.gz MJEGBIBYBKBBED-NRFANRHFSA-N 0 1 407.470 3.740 20 5 HHBDMN Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000537633685 1013187993 /nfs/dbraw/zinc/18/79/93/1013187993.db2.gz TUWRXFGOEMGZRZ-LJQANCHMSA-N 0 1 406.490 3.538 20 5 HHBDMN CCCCOc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1OC ZINC000537635810 1013190923 /nfs/dbraw/zinc/19/09/23/1013190923.db2.gz XZWYUUYQTPIYBV-QGZVFWFLSA-N 0 1 400.479 3.864 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 ZINC000006210556 960868466 /nfs/dbraw/zinc/86/84/66/960868466.db2.gz DDNFEEGOOJBCFS-UHFFFAOYSA-N 0 1 400.441 3.772 20 5 HHBDMN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(C)(C)CN1CCOCC1 ZINC000537648207 1013209043 /nfs/dbraw/zinc/20/90/43/1013209043.db2.gz YSKXFGWUEQBTQS-UHFFFAOYSA-N 0 1 404.536 3.509 20 5 HHBDMN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000008286968 961507455 /nfs/dbraw/zinc/50/74/55/961507455.db2.gz RVEDFQVIUAYGPA-UHFFFAOYSA-N 0 1 411.439 3.956 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2F)n[nH]1 ZINC000009801167 961687237 /nfs/dbraw/zinc/68/72/37/961687237.db2.gz BZJXGFVVWZUQGL-SNVBAGLBSA-N 0 1 417.422 3.647 20 5 HHBDMN CCOC(=O)c1cc(C)sc1NC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000553409787 1013334965 /nfs/dbraw/zinc/33/49/65/1013334965.db2.gz JHNFKTCFGINUJY-ZDUSSCGKSA-N 0 1 405.476 3.739 20 5 HHBDMN CC1CCN([C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000014515319 962518830 /nfs/dbraw/zinc/51/88/30/962518830.db2.gz MDMRPXVMKPMGPT-QGZVFWFLSA-N 0 1 418.475 3.768 20 5 HHBDMN CSc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000016002636 962911490 /nfs/dbraw/zinc/91/14/90/962911490.db2.gz HLVKDQVMIBNVBF-UHFFFAOYSA-N 0 1 420.922 3.974 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCC1 ZINC000018011545 963250673 /nfs/dbraw/zinc/25/06/73/963250673.db2.gz HAKPRQWPLBFGOP-OAQYLSRUSA-N 0 1 424.501 3.745 20 5 HHBDMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000024019034 963922934 /nfs/dbraw/zinc/92/29/34/963922934.db2.gz PAYFYULJUYCIRK-GFCCVEGCSA-N 0 1 413.459 3.816 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccsc1 ZINC000050561564 964354175 /nfs/dbraw/zinc/35/41/75/964354175.db2.gz WEYGIVAUMWQFNE-MRXNPFEDSA-N 0 1 402.501 3.813 20 5 HHBDMN CCC[C@H](C)NC(=O)[C@@H]1CCCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000051054561 964453550 /nfs/dbraw/zinc/45/35/50/964453550.db2.gz KTMTULRGUXVBHW-YQQAZPJKSA-N 0 1 415.494 3.723 20 5 HHBDMN COc1ccc2nc(SCCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)[nH]c2c1 ZINC000026244062 964500816 /nfs/dbraw/zinc/50/08/16/964500816.db2.gz KJDQJYKARUQWFP-UHFFFAOYSA-N 0 1 402.432 3.609 20 5 HHBDMN Cc1ccc([C@H](C)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000537918907 1013503646 /nfs/dbraw/zinc/50/36/46/1013503646.db2.gz VTODQYKWTAUVIY-INIZCTEOSA-N 0 1 403.504 3.539 20 5 HHBDMN COc1ccc(NC(=O)[C@H](NCCNc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000027041405 964759240 /nfs/dbraw/zinc/75/92/40/964759240.db2.gz NNPJVCKRNHLHRB-JOCHJYFZSA-N 0 1 420.469 3.985 20 5 HHBDMN CC(C)CN1CCN(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)CC1 ZINC000052960282 965031843 /nfs/dbraw/zinc/03/18/43/965031843.db2.gz NFQZMJBOXJJSGQ-KRWDZBQOSA-N 0 1 411.506 3.577 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccc(F)cc1F)C1CC1 ZINC000053137093 965069418 /nfs/dbraw/zinc/06/94/18/965069418.db2.gz ISIFYEKYXFKGJM-UHFFFAOYSA-N 0 1 405.401 3.875 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)N2CCCC2)cc1 ZINC000053250218 965104030 /nfs/dbraw/zinc/10/40/30/965104030.db2.gz VKVYVWNSPFCPFU-LJQANCHMSA-N 0 1 414.462 3.571 20 5 HHBDMN CC(C)NC(=O)c1ccc(NC[C@@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000028749743 965176226 /nfs/dbraw/zinc/17/62/26/965176226.db2.gz GDSLWZTWQZVEBM-IBGZPJMESA-N 0 1 400.479 3.965 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)N2CCCCC2)cc1 ZINC000054123731 965391337 /nfs/dbraw/zinc/39/13/37/965391337.db2.gz GMJHHTVETZOBEN-HXUWFJFHSA-N 0 1 401.438 3.700 20 5 HHBDMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1ccccc1[N+](=O)[O-] ZINC000058380126 965713109 /nfs/dbraw/zinc/71/31/09/965713109.db2.gz ZPZSBDVFOIOXGC-UHFFFAOYSA-N 0 1 421.431 3.849 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000055651341 965996746 /nfs/dbraw/zinc/99/67/46/965996746.db2.gz KENCKSHPZNTYDM-HNNXBMFYSA-N 0 1 417.487 3.719 20 5 HHBDMN COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)N1CCCCC1 ZINC000055752669 966049463 /nfs/dbraw/zinc/04/94/63/966049463.db2.gz LKDFKPPQRJJISF-IBGZPJMESA-N 0 1 401.438 3.700 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000055870061 966111206 /nfs/dbraw/zinc/11/12/06/966111206.db2.gz OATYAWNRAXAXSJ-IRXDYDNUSA-N 0 1 412.490 3.563 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000056154196 966236803 /nfs/dbraw/zinc/23/68/03/966236803.db2.gz MZLROVHWPXFIGZ-ZIAGYGMSSA-N 0 1 417.462 3.607 20 5 HHBDMN C[C@@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056441132 966336674 /nfs/dbraw/zinc/33/66/74/966336674.db2.gz GLUOMAIBDKWFRZ-OAHLLOKOSA-N 0 1 400.454 3.759 20 5 HHBDMN O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000056459956 966345627 /nfs/dbraw/zinc/34/56/27/966345627.db2.gz OUAGIQUKTORYQB-UHFFFAOYSA-N 0 1 402.882 3.712 20 5 HHBDMN COC(=O)c1cc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000061234642 966406089 /nfs/dbraw/zinc/40/60/89/966406089.db2.gz BVSPMBMOLORONQ-SFHVURJKSA-N 0 1 408.414 3.543 20 5 HHBDMN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000041400610 966557227 /nfs/dbraw/zinc/55/72/27/966557227.db2.gz RWTHXQYJAHWJMJ-SFHVURJKSA-N 0 1 403.866 3.580 20 5 HHBDMN COc1ccc(CN[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000542775335 1013676853 /nfs/dbraw/zinc/67/68/53/1013676853.db2.gz WEXRODSNNXPAMG-HNNXBMFYSA-N 0 1 410.257 3.805 20 5 HHBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000538119340 1013681090 /nfs/dbraw/zinc/68/10/90/1013681090.db2.gz FPKZAIAZGFRPSX-LBPRGKRZSA-N 0 1 409.389 3.884 20 5 HHBDMN Cc1cc(C[NH+]2CCSCC2)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000538131351 1013693225 /nfs/dbraw/zinc/69/32/25/1013693225.db2.gz GLACSMUSBRXTAZ-UHFFFAOYSA-N 0 1 421.544 3.561 20 5 HHBDMN CC(=O)Nc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000064373802 967158647 /nfs/dbraw/zinc/15/86/47/967158647.db2.gz GSABJYBNAWRYDQ-UHFFFAOYSA-N 0 1 417.365 3.681 20 5 HHBDMN O=C(Nc1ccc(Br)cn1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000047262022 968109306 /nfs/dbraw/zinc/10/93/06/968109306.db2.gz VUKVKICPGXNPKN-UHFFFAOYSA-N 0 1 419.279 3.603 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)N(C)C)c1 ZINC000069366720 968831073 /nfs/dbraw/zinc/83/10/73/968831073.db2.gz NPQRFCNTUNCMKX-AUUYWEPGSA-N 0 1 403.504 3.503 20 5 HHBDMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000071892044 968882598 /nfs/dbraw/zinc/88/25/98/968882598.db2.gz UZYKDEJBVKLQEB-GOSISDBHSA-N 0 1 413.865 3.691 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000072109463 968992495 /nfs/dbraw/zinc/99/24/95/968992495.db2.gz IFMFGGVPOVHUEE-LJQANCHMSA-N 0 1 403.866 3.824 20 5 HHBDMN CN1CCCN(C(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000097617287 969178507 /nfs/dbraw/zinc/17/85/07/969178507.db2.gz YENFAKUICRYFDQ-UHFFFAOYSA-N 0 1 402.882 3.638 20 5 HHBDMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000106106006 969290651 /nfs/dbraw/zinc/29/06/51/969290651.db2.gz YSWJECRHQONJDA-HXUWFJFHSA-N 0 1 408.502 3.589 20 5 HHBDMN CC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000554239086 1013867966 /nfs/dbraw/zinc/86/79/66/1013867966.db2.gz LAVNIKLFFNFBPT-GFCCVEGCSA-N 0 1 404.366 3.765 20 5 HHBDMN COc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Br ZINC000216016832 970060276 /nfs/dbraw/zinc/06/02/76/970060276.db2.gz CVKQFWLTEAMFOK-LBPRGKRZSA-N 0 1 422.279 3.964 20 5 HHBDMN COc1cc(CNCc2cccc(C(N)=O)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237109416 970223881 /nfs/dbraw/zinc/22/38/81/970223881.db2.gz YADUPNDKLYBBTL-UHFFFAOYSA-N 0 1 421.453 3.571 20 5 HHBDMN COc1ccc(-c2n[nH]c(SCCOc3ccccc3[N+](=O)[O-])n2)c(OC)c1 ZINC000144762582 970241342 /nfs/dbraw/zinc/24/13/42/970241342.db2.gz OZNGUAUHHDILFO-UHFFFAOYSA-N 0 1 402.432 3.568 20 5 HHBDMN O=C1C[C@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000237933882 970398123 /nfs/dbraw/zinc/39/81/23/970398123.db2.gz PZWOVEAJNBLMLC-AWEZNQCLSA-N 0 1 401.850 3.893 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N1CCCC1 ZINC000248183396 970519366 /nfs/dbraw/zinc/51/93/66/970519366.db2.gz FTYACOWCZCFTHF-GOSISDBHSA-N 0 1 403.866 3.824 20 5 HHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000554723058 1014031735 /nfs/dbraw/zinc/03/17/35/1014031735.db2.gz NWGSFGSVWNXONK-IBGZPJMESA-N 0 1 423.473 3.839 20 5 HHBDMN COc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OCc1cccnc1 ZINC000426000071 974115119 /nfs/dbraw/zinc/11/51/19/974115119.db2.gz QWVRAGLSFGJRJS-UHFFFAOYSA-N 0 1 423.473 3.611 20 5 HHBDMN Cc1ccc2nc(CNC(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[nH]c2c1 ZINC000426074752 974197692 /nfs/dbraw/zinc/19/76/92/974197692.db2.gz VLJISERHVVUJJQ-UHFFFAOYSA-N 0 1 407.352 3.798 20 5 HHBDMN O=C(c1cc(OCc2ccccc2)ccc1[N+](=O)[O-])N1CCC(c2cnc[nH]2)CC1 ZINC000426646401 974580923 /nfs/dbraw/zinc/58/09/23/974580923.db2.gz JDMQIKBGFKSDRW-UHFFFAOYSA-N 0 1 406.442 3.917 20 5 HHBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)n1 ZINC000427292399 975030347 /nfs/dbraw/zinc/03/03/47/975030347.db2.gz PXOQPUQHWPSRRS-UHFFFAOYSA-N 0 1 408.393 3.670 20 5 HHBDMN O=C(c1ccc(CN2CCSCC2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427579388 975196847 /nfs/dbraw/zinc/19/68/47/975196847.db2.gz KPLPVKUTEYTDPW-UHFFFAOYSA-N 0 1 411.527 3.948 20 5 HHBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)n1 ZINC000427605688 975208945 /nfs/dbraw/zinc/20/89/45/975208945.db2.gz BZYLQEZABBAZOM-UHFFFAOYSA-N 0 1 412.356 3.885 20 5 HHBDMN C[C@H]1CN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)CCN1CCO ZINC000428462226 975764856 /nfs/dbraw/zinc/76/48/56/975764856.db2.gz QEPHPMASMNGYPK-HNNXBMFYSA-N 0 1 405.882 3.539 20 5 HHBDMN Cc1ccc(CN(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] ZINC000428477577 975776913 /nfs/dbraw/zinc/77/69/13/975776913.db2.gz UUCQVSYBJNUQNB-MRXNPFEDSA-N 0 1 403.504 3.636 20 5 HHBDMN COC(=O)[C@]1(c2ccccc2)CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000428775074 976046914 /nfs/dbraw/zinc/04/69/14/976046914.db2.gz WYFYCQUMUCNNDZ-IVZQSRNASA-N 0 1 422.441 3.523 20 5 HHBDMN COC(=O)[C@@]1(c2ccccc2)CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000428775075 976047393 /nfs/dbraw/zinc/04/73/93/976047393.db2.gz WYFYCQUMUCNNDZ-NYHFZMIOSA-N 0 1 422.441 3.523 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000430236247 977409521 /nfs/dbraw/zinc/40/95/21/977409521.db2.gz GHCHLSGLJHUVQA-AWEZNQCLSA-N 0 1 404.854 3.503 20 5 HHBDMN CN(C(=O)[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1)c1ccccc1 ZINC000430307888 977466636 /nfs/dbraw/zinc/46/66/36/977466636.db2.gz ZAUXXWIWFRMKTD-KRWDZBQOSA-N 0 1 406.442 3.735 20 5 HHBDMN Cc1cc(OCC(=O)Nc2nc3ccc(Br)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000430715322 977709309 /nfs/dbraw/zinc/70/93/09/977709309.db2.gz OZHWONQPRIXOKM-UHFFFAOYSA-N 0 1 405.208 3.560 20 5 HHBDMN Cc1ccc([C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000431920057 978601351 /nfs/dbraw/zinc/60/13/51/978601351.db2.gz SENJBFUHIMYOTK-MRXNPFEDSA-N 0 1 422.279 3.826 20 5 HHBDMN COc1cc2c(cc1OC)CN(CCNc1ccnc3c1cccc3[N+](=O)[O-])CC2 ZINC000432337293 978766946 /nfs/dbraw/zinc/76/69/46/978766946.db2.gz AVZWPASYEHFQCO-UHFFFAOYSA-N 0 1 408.458 3.630 20 5 HHBDMN COc1cc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)ccc1Cl ZINC000432639873 978921050 /nfs/dbraw/zinc/92/10/50/978921050.db2.gz BJDIGWGFNPCGDE-UHFFFAOYSA-N 0 1 421.656 3.820 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000432948725 979019931 /nfs/dbraw/zinc/01/99/31/979019931.db2.gz KQPQPHHCLMAGRO-ZDUSSCGKSA-N 0 1 412.748 3.811 20 5 HHBDMN O=C(CN[C@H](c1ccccc1)C1(CO)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000433304722 979226026 /nfs/dbraw/zinc/22/60/26/979226026.db2.gz OEKPBPUUKVMTRD-LJQANCHMSA-N 0 1 403.866 3.680 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c1[N+](=O)[O-] ZINC000433993125 979741167 /nfs/dbraw/zinc/74/11/67/979741167.db2.gz LOYMJGJTFKWLJO-UHFFFAOYSA-N 0 1 414.441 3.675 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1[N+](=O)[O-] ZINC000434017460 979761425 /nfs/dbraw/zinc/76/14/25/979761425.db2.gz NOWGSXAWTXPQPF-ZDUSSCGKSA-N 0 1 402.842 3.948 20 5 HHBDMN Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000434408157 980151384 /nfs/dbraw/zinc/15/13/84/980151384.db2.gz VPYDSRDDUDILMO-GOSISDBHSA-N 0 1 421.457 3.505 20 5 HHBDMN C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[C@H](C)C1 ZINC000436113452 981206504 /nfs/dbraw/zinc/20/65/04/981206504.db2.gz YYFXHKKLVPRHMF-KBPBESRZSA-N 0 1 413.468 3.810 20 5 HHBDMN COC[C@H](C)n1c(=O)c2ccccc2nc1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436475126 981393053 /nfs/dbraw/zinc/39/30/53/981393053.db2.gz MYFWZIWSHKKHMI-LBPRGKRZSA-N 0 1 401.444 3.510 20 5 HHBDMN O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436957860 981646422 /nfs/dbraw/zinc/64/64/22/981646422.db2.gz BIARRDLHAXNFDN-UHFFFAOYSA-N 0 1 423.391 3.714 20 5 HHBDMN C[N@H+]1CC[C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436986489 981669580 /nfs/dbraw/zinc/66/95/80/981669580.db2.gz JTXIEAGUPIPSJC-UGSOOPFHSA-N 0 1 407.829 3.516 20 5 HHBDMN CN(c1ccccc1)c1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000437122046 981775495 /nfs/dbraw/zinc/77/54/95/981775495.db2.gz HCGYLVLPJUEWBN-GOSISDBHSA-N 0 1 404.474 3.839 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1CCC2(CCOCC2)CC1 ZINC000437333814 981984878 /nfs/dbraw/zinc/98/48/78/981984878.db2.gz SQHGNHJSHPTMKB-UHFFFAOYSA-N 0 1 423.318 3.919 20 5 HHBDMN O=C(c1ccc(CN2CCSCC2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437488013 982115609 /nfs/dbraw/zinc/11/56/09/982115609.db2.gz VPOHVMBUFBZTLF-UHFFFAOYSA-N 0 1 411.527 3.948 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)CCC3CC3)cc2)cc1[N+](=O)[O-] ZINC000437504425 982130958 /nfs/dbraw/zinc/13/09/58/982130958.db2.gz ANABSLUZPGOQEX-UHFFFAOYSA-N 0 1 417.487 3.576 20 5 HHBDMN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2c(F)cc(C(C)=O)c(F)c2F)cc1OC ZINC000461115497 982808134 /nfs/dbraw/zinc/80/81/34/982808134.db2.gz VXBXMBUFOVDNGJ-UHFFFAOYSA-N 0 1 412.320 3.874 20 5 HHBDMN Cc1c(Br)cc(S(=O)(=O)Nc2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000438811516 983086582 /nfs/dbraw/zinc/08/65/82/983086582.db2.gz PLGAXRGIUIOIKO-UHFFFAOYSA-N 0 1 414.281 3.533 20 5 HHBDMN Cc1c(CC(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000438892003 983140095 /nfs/dbraw/zinc/14/00/95/983140095.db2.gz BLTROIYFUCYNNA-UHFFFAOYSA-N 0 1 424.501 3.899 20 5 HHBDMN O=c1[nH]c(N2CCN(Cc3cccc4ccccc43)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000439096931 983248506 /nfs/dbraw/zinc/24/85/06/983248506.db2.gz HXMJSIVUHUVOIK-UHFFFAOYSA-N 0 1 415.453 3.719 20 5 HHBDMN O=[N+]([O-])c1ccc2oc(CN[C@H](c3nnc[nH]3)c3cccc(C(F)(F)F)c3)nc2c1 ZINC000439457107 983418961 /nfs/dbraw/zinc/41/89/61/983418961.db2.gz PVFOJADLWAKOAP-INIZCTEOSA-N 0 1 418.335 3.752 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nncn1C(C)C ZINC000439879280 983566593 /nfs/dbraw/zinc/56/65/93/983566593.db2.gz XZYFXYFKYBCLGY-UHFFFAOYSA-N 0 1 401.448 3.543 20 5 HHBDMN COc1ccc(-c2ccc(CNCc3cccc(N4CCC4=O)c3)o2)c([N+](=O)[O-])c1 ZINC000441189854 984107087 /nfs/dbraw/zinc/10/70/87/984107087.db2.gz AJPYABCHWJFBML-UHFFFAOYSA-N 0 1 407.426 3.890 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441260626 984144409 /nfs/dbraw/zinc/14/44/09/984144409.db2.gz WORVAJWULPXSKI-HZPDHXFCSA-N 0 1 419.909 3.809 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441277287 984154854 /nfs/dbraw/zinc/15/48/54/984154854.db2.gz ORCJWMUBWCNIDP-HZPDHXFCSA-N 0 1 419.909 3.809 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441534735 984308924 /nfs/dbraw/zinc/30/89/24/984308924.db2.gz LPSUVWJTZCOQOP-MRXNPFEDSA-N 0 1 420.878 3.959 20 5 HHBDMN O=C(C[C@@H]1C=CCC1)Nc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442353854 984858949 /nfs/dbraw/zinc/85/89/49/984858949.db2.gz CXWZIOLHNQNTEB-CQSZACIVSA-N 0 1 401.444 3.690 20 5 HHBDMN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Br)s1 ZINC000442741713 985197815 /nfs/dbraw/zinc/19/78/15/985197815.db2.gz WAQMIFSUXMRMCB-MFKMUULPSA-N 0 1 410.293 3.875 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1CCOc2ccccc21 ZINC000462284245 985272772 /nfs/dbraw/zinc/27/27/72/985272772.db2.gz SZOXFAZPFVVGQA-JTQLQIEISA-N 0 1 417.270 3.746 20 5 HHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Br)cc2)c2cccnc21 ZINC000462369165 985355156 /nfs/dbraw/zinc/35/51/56/985355156.db2.gz LSMYOHKWDUTSPP-UHFFFAOYSA-N 0 1 408.233 3.706 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000462382371 985365415 /nfs/dbraw/zinc/36/54/15/985365415.db2.gz ZPPDPPZRUFDZOC-AWEZNQCLSA-N 0 1 419.503 3.764 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000462382371 985365426 /nfs/dbraw/zinc/36/54/26/985365426.db2.gz ZPPDPPZRUFDZOC-AWEZNQCLSA-N 0 1 419.503 3.764 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000462382372 985365603 /nfs/dbraw/zinc/36/56/03/985365603.db2.gz ZPPDPPZRUFDZOC-CQSZACIVSA-N 0 1 419.503 3.764 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000462382372 985365619 /nfs/dbraw/zinc/36/56/19/985365619.db2.gz ZPPDPPZRUFDZOC-CQSZACIVSA-N 0 1 419.503 3.764 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCc2c1cccc2O ZINC000443214133 985445563 /nfs/dbraw/zinc/44/55/63/985445563.db2.gz JWPYYDCEJZAXQW-GFCCVEGCSA-N 0 1 403.243 3.573 20 5 HHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000462633236 985575050 /nfs/dbraw/zinc/57/50/50/985575050.db2.gz SQHXMHMQVGKWCL-FQEVSTJZSA-N 0 1 417.550 3.562 20 5 HHBDMN CC(C)CCSc1ccc(C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000443614236 985792354 /nfs/dbraw/zinc/79/23/54/985792354.db2.gz DDLWNYAXEKZEHB-OAHLLOKOSA-N 0 1 403.508 3.871 20 5 HHBDMN CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)n1 ZINC000463175016 986146638 /nfs/dbraw/zinc/14/66/38/986146638.db2.gz XWNGPIJUFXKRFB-UHFFFAOYSA-N 0 1 408.403 3.528 20 5 HHBDMN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000443944543 986151934 /nfs/dbraw/zinc/15/19/34/986151934.db2.gz UXEVPTJGKVMENI-WRWORJQWSA-N 0 1 419.219 3.613 20 5 HHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)Nc1cccc(Br)c1 ZINC000468598133 986309002 /nfs/dbraw/zinc/30/90/02/986309002.db2.gz OQOWRTNOIWVNQK-JYRVWZFOSA-N 0 1 404.264 3.989 20 5 HHBDMN CCc1[nH]nc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)c1[N+](=O)[O-] ZINC000444263817 986461219 /nfs/dbraw/zinc/46/12/19/986461219.db2.gz OAANTIPMOMWIHM-UHFFFAOYSA-N 0 1 400.435 3.584 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccccc2N2CCCCCC2)ccc1[N+](=O)[O-] ZINC000468989539 986695283 /nfs/dbraw/zinc/69/52/83/986695283.db2.gz NPSGKXMINRQFQP-UHFFFAOYSA-N 0 1 405.476 3.785 20 5 HHBDMN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)cc1OC ZINC000469003978 986709347 /nfs/dbraw/zinc/70/93/47/986709347.db2.gz KVKPOLZFCIXVFK-MRXNPFEDSA-N 0 1 415.446 3.640 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)ccc1[N+](=O)[O-] ZINC000469025903 986734974 /nfs/dbraw/zinc/73/49/74/986734974.db2.gz RUROAPMBEGTDKC-UHFFFAOYSA-N 0 1 421.475 3.697 20 5 HHBDMN COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)cc1SC ZINC000469341698 987048491 /nfs/dbraw/zinc/04/84/91/987048491.db2.gz LUKDJNMIBNHCBS-HNNXBMFYSA-N 0 1 417.487 3.963 20 5 HHBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445006364 987137092 /nfs/dbraw/zinc/13/70/92/987137092.db2.gz GCGJNBCXCSFFRI-UHFFFAOYSA-N 0 1 400.413 3.669 20 5 HHBDMN O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000445129526 987230447 /nfs/dbraw/zinc/23/04/47/987230447.db2.gz CSPWHXGDXSDSCR-OAHLLOKOSA-N 0 1 413.481 3.697 20 5 HHBDMN CCOc1cc(-c2noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)cc(Cl)c1O ZINC000445410763 987470572 /nfs/dbraw/zinc/47/05/72/987470572.db2.gz HJIGJEYLMYSFGL-UHFFFAOYSA-N 0 1 405.750 3.798 20 5 HHBDMN CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000463910393 988019140 /nfs/dbraw/zinc/01/91/40/988019140.db2.gz MAJXGHRMCRRFKK-CABCVRRESA-N 0 1 419.503 3.950 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)N2CCCC2)c1 ZINC000470149705 988057614 /nfs/dbraw/zinc/05/76/14/988057614.db2.gz BZTFZUANKALYLJ-LJQANCHMSA-N 0 1 402.426 3.701 20 5 HHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000470181688 988098060 /nfs/dbraw/zinc/09/80/60/988098060.db2.gz ASVVKOQOKZMSCG-VKAVYKQESA-N 0 1 418.515 3.803 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000464024589 988136492 /nfs/dbraw/zinc/13/64/92/988136492.db2.gz PJHHCVMHYKEIJQ-SFHVURJKSA-N 0 1 421.457 3.699 20 5 HHBDMN C[C@H](CCC1CC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000470578176 988592852 /nfs/dbraw/zinc/59/28/52/988592852.db2.gz GEGNTOBEJYFMQS-CQSZACIVSA-N 0 1 417.487 3.704 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000470599971 988616467 /nfs/dbraw/zinc/61/64/67/988616467.db2.gz GYEDFKUCOHXYTJ-INIZCTEOSA-N 0 1 421.379 3.523 20 5 HHBDMN CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470663464 988683319 /nfs/dbraw/zinc/68/33/19/988683319.db2.gz XMSHYHMYJKDCAW-NRFANRHFSA-N 0 1 419.485 3.517 20 5 HHBDMN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nc2ccc(Br)cc2[nH]1 ZINC000464551928 988728813 /nfs/dbraw/zinc/72/88/13/988728813.db2.gz DCEUOMUCOPVONQ-UHFFFAOYSA-N 0 1 404.224 3.674 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000464608474 988790386 /nfs/dbraw/zinc/79/03/86/988790386.db2.gz MYFZVTZLDPGZMA-TZMCWYRMSA-N 0 1 403.483 3.541 20 5 HHBDMN Cc1ccc(-c2cc(C(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)n[nH]2)cc1 ZINC000464632892 988807903 /nfs/dbraw/zinc/80/79/03/988807903.db2.gz DYMWAAJKYUNQHF-UHFFFAOYSA-N 0 1 406.442 3.977 20 5 HHBDMN CC(=O)c1ccc(NC(=O)CCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000464774731 989000833 /nfs/dbraw/zinc/00/08/33/989000833.db2.gz IHOWKMQTFDYPPC-UHFFFAOYSA-N 0 1 411.458 3.669 20 5 HHBDMN Cc1cccc(CN(Cc2ccccn2)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000471181515 989311147 /nfs/dbraw/zinc/31/11/47/989311147.db2.gz MPHFTQNUGYIFJO-QFIPXVFZSA-N 0 1 407.470 3.740 20 5 HHBDMN Cc1nn(Cc2ccc(C(=O)NCc3nc4ccc(C)cc4[nH]3)cc2)c(C)c1[N+](=O)[O-] ZINC000465198548 989540948 /nfs/dbraw/zinc/54/09/48/989540948.db2.gz VEZUIKFPDZQXNB-UHFFFAOYSA-N 0 1 418.457 3.571 20 5 HHBDMN Cc1sc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467081702 992387769 /nfs/dbraw/zinc/38/77/69/992387769.db2.gz NDMXVAJCLMNXBL-YOEHRIQHSA-N 0 1 423.560 3.638 20 5 HHBDMN Cc1n[nH]c(CCNC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 ZINC000467509715 992790236 /nfs/dbraw/zinc/79/02/36/992790236.db2.gz AAAVZUPGUPYBME-UHFFFAOYSA-N 0 1 417.878 3.798 20 5 HHBDMN C[C@H](c1nc2ccccc2o1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481183647 994014348 /nfs/dbraw/zinc/01/43/48/994014348.db2.gz RIEYTXVBGSFILQ-CQSZACIVSA-N 0 1 406.446 3.886 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000481377835 994209624 /nfs/dbraw/zinc/20/96/24/994209624.db2.gz VQBRHAUAJFBCSN-YJBOKZPZSA-N 0 1 423.560 3.635 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000481980635 994876489 /nfs/dbraw/zinc/87/64/89/994876489.db2.gz LMLFATLXJMTURA-UHFFFAOYSA-N 0 1 413.455 3.986 20 5 HHBDMN CCN(C)C(=O)[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000474020214 995010932 /nfs/dbraw/zinc/01/09/32/995010932.db2.gz XFCLQWCIQSHUKI-LLVKDONJSA-N 0 1 410.268 3.574 20 5 HHBDMN COC(=O)COc1ccc(CN[C@H](C)c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000474024084 995015542 /nfs/dbraw/zinc/01/55/42/995015542.db2.gz UZMSVRMVMORMDR-GFCCVEGCSA-N 0 1 401.444 3.607 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)Cc3cccc([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000482096540 995039360 /nfs/dbraw/zinc/03/93/60/995039360.db2.gz BMQCFQOHFCRFDP-NZQKXSOJSA-N 0 1 409.486 3.549 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000482099760 995045194 /nfs/dbraw/zinc/04/51/94/995045194.db2.gz HMINOACFTRHYCJ-VQTJNVASSA-N 0 1 415.877 3.965 20 5 HHBDMN COc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2OC)N2CCCCC2)cc1 ZINC000474200866 995196035 /nfs/dbraw/zinc/19/60/35/995196035.db2.gz VJERBBWYNRTHIM-FQEVSTJZSA-N 0 1 413.474 3.569 20 5 HHBDMN CC(C)(COc1ncccc1Br)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000482695528 995687051 /nfs/dbraw/zinc/68/70/51/995687051.db2.gz XXCFYOKNJWJXRJ-UHFFFAOYSA-N 0 1 420.267 3.576 20 5 HHBDMN CO[C@@]1(C)CCCN([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000483013845 995919636 /nfs/dbraw/zinc/91/96/36/995919636.db2.gz HNBGWCKHFPSRSV-VLIAUNLRSA-N 0 1 418.519 3.936 20 5 HHBDMN O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000483828605 996413190 /nfs/dbraw/zinc/41/31/90/996413190.db2.gz HXZQRNWMLWGPKB-OAHLLOKOSA-N 0 1 405.401 3.591 20 5 HHBDMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000483828605 996413198 /nfs/dbraw/zinc/41/31/98/996413198.db2.gz HXZQRNWMLWGPKB-OAHLLOKOSA-N 0 1 405.401 3.591 20 5 HHBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1nccn1CCc1ccccc1 ZINC000484297469 996686290 /nfs/dbraw/zinc/68/62/90/996686290.db2.gz UJGBTNQOGCGTTJ-QGZVFWFLSA-N 0 1 407.474 3.541 20 5 HHBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cccc2oc(C(F)(F)F)nc21 ZINC000476231518 996693268 /nfs/dbraw/zinc/69/32/68/996693268.db2.gz DYTYFAPAPJXRLL-UHFFFAOYSA-N 0 1 415.349 3.739 20 5 HHBDMN COC(=O)c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C)cc([N+](=O)[O-])c1 ZINC000476385195 996828692 /nfs/dbraw/zinc/82/86/92/996828692.db2.gz KCMRSSUFCAOLJR-UHFFFAOYSA-N 0 1 418.349 3.509 20 5 HHBDMN C[C@H](C[S@@](C)=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000484705314 997043410 /nfs/dbraw/zinc/04/34/10/997043410.db2.gz QHHGTAWSTOYPGA-HYDGNGQDSA-N 0 1 412.515 3.646 20 5 HHBDMN CC(=O)c1ccc(NC2CCN(CCOc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000484959429 997336813 /nfs/dbraw/zinc/33/68/13/997336813.db2.gz FPVUCVZIVASKMA-UHFFFAOYSA-N 0 1 401.438 3.892 20 5 HHBDMN CCOc1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)c([N+](=O)[O-])cc1OC ZINC000485100801 997477856 /nfs/dbraw/zinc/47/78/56/997477856.db2.gz BZXJBVZROMLCNI-UHFFFAOYSA-N 0 1 423.385 3.786 20 5 HHBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(-c3ncc[nH]3)cc2)c1 ZINC000476910906 997518132 /nfs/dbraw/zinc/51/81/32/997518132.db2.gz GCKLNENMLWVKJH-UHFFFAOYSA-N 0 1 423.248 3.548 20 5 HHBDMN C[C@@H](Cc1ccc(O)cc1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000485202645 997578526 /nfs/dbraw/zinc/57/85/26/997578526.db2.gz ADNZSQQTSSICPG-LBPRGKRZSA-N 0 1 422.279 3.564 20 5 HHBDMN O=C(NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000477117214 997771657 /nfs/dbraw/zinc/77/16/57/997771657.db2.gz ZMQGBSUZOLHPAY-INIZCTEOSA-N 0 1 416.434 3.514 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000485447581 997889101 /nfs/dbraw/zinc/88/91/01/997889101.db2.gz UCKWQVCCGGCCCP-UHFFFAOYSA-N 0 1 404.366 3.702 20 5 HHBDMN CN(C)Cc1ccc(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000477626248 998344509 /nfs/dbraw/zinc/34/45/09/998344509.db2.gz KXKMZZKZZVQYIA-UHFFFAOYSA-N 0 1 409.845 3.534 20 5 HHBDMN COC(=O)c1cc(NS(=O)(=O)c2cccc3ccccc32)c(C)c([N+](=O)[O-])c1 ZINC000486004720 998448944 /nfs/dbraw/zinc/44/89/44/998448944.db2.gz KLJKRPOECLIHGP-UHFFFAOYSA-N 0 1 400.412 3.644 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNc3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)C[C@H](C)O1 ZINC000486156754 998606282 /nfs/dbraw/zinc/60/62/82/998606282.db2.gz LMGNXDKPMPCVKA-IYBDPMFKSA-N 0 1 423.473 3.866 20 5 HHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000486222033 998657741 /nfs/dbraw/zinc/65/77/41/998657741.db2.gz MNKJOWKVEUQHBB-UZQPLGKSSA-N 0 1 424.501 3.942 20 5 HHBDMN COc1cccc([C@@H]2[C@H](NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000486222031 998657841 /nfs/dbraw/zinc/65/78/41/998657841.db2.gz MNKJOWKVEUQHBB-UJUVCNOISA-N 0 1 424.501 3.942 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000486703570 998900196 /nfs/dbraw/zinc/90/01/96/998900196.db2.gz SPFBEKZHOSEUNK-NSHDSACASA-N 0 1 409.291 3.672 20 5 HHBDMN COCCSCCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000486733631 998913346 /nfs/dbraw/zinc/91/33/46/998913346.db2.gz GINHZBNOYKAYOG-UHFFFAOYSA-N 0 1 407.458 3.505 20 5 HHBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000486755828 998925417 /nfs/dbraw/zinc/92/54/17/998925417.db2.gz ZRQCSVXSNWXIIK-UHFFFAOYSA-N 0 1 421.563 3.670 20 5 HHBDMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000486805464 998947835 /nfs/dbraw/zinc/94/78/35/998947835.db2.gz VNAQUIASWJHZKT-KRWDZBQOSA-N 0 1 413.384 3.564 20 5 HHBDMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000486805464 998947841 /nfs/dbraw/zinc/94/78/41/998947841.db2.gz VNAQUIASWJHZKT-KRWDZBQOSA-N 0 1 413.384 3.564 20 5 HHBDMN C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000478566544 999027514 /nfs/dbraw/zinc/02/75/14/999027514.db2.gz QCLZBGHSQXJDRF-FZKQIMNGSA-N 0 1 407.829 3.516 20 5 HHBDMN O=C(CSc1nc(Cc2ccccc2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000478733637 999113777 /nfs/dbraw/zinc/11/37/77/999113777.db2.gz BPHNOLBFOMNSCP-UHFFFAOYSA-N 0 1 403.851 3.688 20 5 HHBDMN Cc1nc2ccc(COc3ccc(I)cc3[N+](=O)[O-])cc2[nH]1 ZINC000479199784 999323096 /nfs/dbraw/zinc/32/30/96/999323096.db2.gz NDQXZVICMCHPNR-UHFFFAOYSA-N 0 1 409.183 3.963 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc(-c3nc(C)co3)c2)cc1[N+](=O)[O-] ZINC000488298582 999428527 /nfs/dbraw/zinc/42/85/27/999428527.db2.gz PCGWPGVPQWBNTG-UHFFFAOYSA-N 0 1 407.379 3.507 20 5 HHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3nnc(C4CCC4)n3c2)cc1[N+](=O)[O-] ZINC000488450085 999490320 /nfs/dbraw/zinc/49/03/20/999490320.db2.gz QZAPKBGUFKCXNO-UHFFFAOYSA-N 0 1 421.866 3.668 20 5 HHBDMN COc1cccc([C@H]2[C@H](NC(=O)NCc3cccc([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000479751557 999571804 /nfs/dbraw/zinc/57/18/04/999571804.db2.gz TXSSWLAKZFZZMJ-IRLDBZIGSA-N 0 1 424.501 3.689 20 5 HHBDMN O=C(Nc1ccccc1)c1cccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000488742206 999594968 /nfs/dbraw/zinc/59/49/68/999594968.db2.gz DUHPHRFRCIECGF-UHFFFAOYSA-N 0 1 405.458 3.881 20 5 HHBDMN O=C(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)N(c1ccccc1)C1CCCCC1 ZINC000488774892 999603509 /nfs/dbraw/zinc/60/35/09/999603509.db2.gz JUFPAZYLWOXVKM-UHFFFAOYSA-N 0 1 411.506 3.794 20 5 HHBDMN O=C(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000488965359 999659311 /nfs/dbraw/zinc/65/93/11/999659311.db2.gz LPHYXZVRCCKHDV-UHFFFAOYSA-N 0 1 419.485 3.662 20 5 HHBDMN CC[C@@H](C)CN(CC)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000480206336 999745191 /nfs/dbraw/zinc/74/51/91/999745191.db2.gz ZTRRLNJOUCBUGJ-OAHLLOKOSA-N 0 1 419.503 3.904 20 5 HHBDMN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1C ZINC000480253250 999756853 /nfs/dbraw/zinc/75/68/53/999756853.db2.gz VSEDAILRKRXCRL-SECBINFHSA-N 0 1 406.386 3.890 20 5 HHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc5c(c([N+](=O)[O-])c4)OCO5)C3)[nH]c2c1 ZINC000489616616 999803445 /nfs/dbraw/zinc/80/34/45/999803445.db2.gz AJIKLSJEDJIHRU-ZDUSSCGKSA-N 0 1 408.414 3.528 20 5 HHBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000480458776 999803758 /nfs/dbraw/zinc/80/37/58/999803758.db2.gz BKFZSCAWKGEAQU-UHFFFAOYSA-N 0 1 421.563 3.527 20 5 HHBDMN Cc1c(CNCc2ccc(OCCN3CCOCC3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000480466447 999805634 /nfs/dbraw/zinc/80/56/34/999805634.db2.gz IDGKPQHBFZIANA-UHFFFAOYSA-N 0 1 419.909 3.557 20 5 HHBDMN CN1CCN(c2ncccc2CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000490178189 999905484 /nfs/dbraw/zinc/90/54/84/999905484.db2.gz JZARIQBWZDUPNF-HSZRJFAPSA-N 0 1 417.513 3.621 20 5 HHBDMN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000490339283 999940210 /nfs/dbraw/zinc/94/02/10/999940210.db2.gz HRWMUWJUIQURAP-AWEZNQCLSA-N 0 1 405.392 3.747 20 5 HHBDMN O=C(CCc1ncc(-c2ccccc2)o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490361438 999944503 /nfs/dbraw/zinc/94/45/03/999944503.db2.gz DLSVFMKZYUYRCP-UHFFFAOYSA-N 0 1 404.386 3.606 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000490363811 999945022 /nfs/dbraw/zinc/94/50/22/999945022.db2.gz HMYYJAQPTMBNKV-GOSISDBHSA-N 0 1 409.446 3.835 20 5 HHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000490989895 1000031061 /nfs/dbraw/zinc/03/10/61/1000031061.db2.gz UKJXQWMLVQETPZ-QGZVFWFLSA-N 0 1 423.517 3.889 20 5 HHBDMN COc1ccc([C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccc2Cl)c(C)c1 ZINC000491078691 1000043206 /nfs/dbraw/zinc/04/32/06/1000043206.db2.gz WPSYYROECOMBFH-KRWDZBQOSA-N 0 1 400.822 3.808 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(c2ccccc2)C2CCN(C)CC2)cc1C ZINC000493286149 1000167565 /nfs/dbraw/zinc/16/75/65/1000167565.db2.gz ZJFSFVFMMYOOBV-UHFFFAOYSA-N 0 1 403.504 3.501 20 5 HHBDMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000493952440 1000234477 /nfs/dbraw/zinc/23/44/77/1000234477.db2.gz KVFLCJJRCFXBRU-CRAIPNDOSA-N 0 1 411.792 3.585 20 5 HHBDMN COc1cc(C(=O)Nc2cc(CN3CCSCC3)ccc2C)ccc1[N+](=O)[O-] ZINC000504631238 1000301010 /nfs/dbraw/zinc/30/10/10/1000301010.db2.gz VHUHTAVRBPSQKO-UHFFFAOYSA-N 0 1 401.488 3.713 20 5 HHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000494128176 1000320483 /nfs/dbraw/zinc/32/04/83/1000320483.db2.gz SYKOLZCALCXMGU-UHFFFAOYSA-N 0 1 400.416 3.622 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000504912512 1000444247 /nfs/dbraw/zinc/44/42/47/1000444247.db2.gz WZODEECPNBAPJM-LSDHHAIUSA-N 0 1 421.519 3.656 20 5 HHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000494452196 1000499546 /nfs/dbraw/zinc/49/95/46/1000499546.db2.gz NNPYHUBJOKYCAA-UHFFFAOYSA-N 0 1 411.506 3.712 20 5 HHBDMN CCOc1ccc(NC(=O)CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000494478987 1000514144 /nfs/dbraw/zinc/51/41/44/1000514144.db2.gz WMDKUYNVBXXASS-PXNSSMCTSA-N 0 1 419.865 3.705 20 5 HHBDMN C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000494482899 1000517420 /nfs/dbraw/zinc/51/74/20/1000517420.db2.gz GPRAMTKCEIHEDN-NSHDSACASA-N 0 1 417.409 3.836 20 5 HHBDMN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccn(-c4ccncc4)n3)cc2[N+](=O)[O-])C1 ZINC000505124178 1000562432 /nfs/dbraw/zinc/56/24/32/1000562432.db2.gz LMZFRERUOJHLML-HNNXBMFYSA-N 0 1 406.446 3.664 20 5 HHBDMN COc1cc(CN[C@H](C)c2ccc(NC(N)=O)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494585835 1000565564 /nfs/dbraw/zinc/56/55/64/1000565564.db2.gz LIPKZSBRQDDWQS-LLVKDONJSA-N 0 1 424.404 3.589 20 5 HHBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Br)cs1 ZINC000494759701 1000638459 /nfs/dbraw/zinc/63/84/59/1000638459.db2.gz ISVSTFFRRPWRHJ-SNVBAGLBSA-N 0 1 419.322 3.543 20 5 HHBDMN O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000505805175 1001035413 /nfs/dbraw/zinc/03/54/13/1001035413.db2.gz MDNQICZXMOAHKS-UHFFFAOYSA-N 0 1 409.373 3.622 20 5 HHBDMN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000497109276 1001271302 /nfs/dbraw/zinc/27/13/02/1001271302.db2.gz RXGLALMOIJXARX-QGZVFWFLSA-N 0 1 402.414 3.839 20 5 HHBDMN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000497109276 1001271307 /nfs/dbraw/zinc/27/13/07/1001271307.db2.gz RXGLALMOIJXARX-QGZVFWFLSA-N 0 1 402.414 3.839 20 5 HHBDMN CC(=O)N1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000506296233 1001336909 /nfs/dbraw/zinc/33/69/09/1001336909.db2.gz YBWDJBDVKIDFSJ-UHFFFAOYSA-N 0 1 419.485 3.502 20 5 HHBDMN O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000506355509 1001374256 /nfs/dbraw/zinc/37/42/56/1001374256.db2.gz LPRQQSLZVKGAGK-UHFFFAOYSA-N 0 1 412.789 3.853 20 5 HHBDMN O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000506467262 1001425948 /nfs/dbraw/zinc/42/59/48/1001425948.db2.gz QYCSCXZPDNFUST-UHFFFAOYSA-N 0 1 410.257 3.565 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(C3CC3)CC2)cc1 ZINC000506496613 1001439580 /nfs/dbraw/zinc/43/95/80/1001439580.db2.gz RKHBZRCLTVTFNK-UHFFFAOYSA-N 0 1 403.486 3.728 20 5 HHBDMN C[C@@H]1CN(Cc2ccccc2CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H](C)O1 ZINC000506838680 1001558942 /nfs/dbraw/zinc/55/89/42/1001558942.db2.gz QBGUAOLBCSMNNU-IYBDPMFKSA-N 0 1 424.501 3.701 20 5 HHBDMN CCN([C@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000497983590 1001590610 /nfs/dbraw/zinc/59/06/10/1001590610.db2.gz NZCRITFBQJAOEL-HKUYNNGSSA-N 0 1 417.531 3.749 20 5 HHBDMN Cc1cccc2nc(CNC(=O)N3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)[nH]c21 ZINC000497986927 1001592244 /nfs/dbraw/zinc/59/22/44/1001592244.db2.gz QUQFPGVKARAHKY-UHFFFAOYSA-N 0 1 409.446 3.533 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)c1C ZINC000498398717 1001826475 /nfs/dbraw/zinc/82/64/75/1001826475.db2.gz DQNHHZQFOWYGFK-UHFFFAOYSA-N 0 1 417.487 3.557 20 5 HHBDMN O=[N+]([O-])c1ccc(CN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000507166097 1001854620 /nfs/dbraw/zinc/85/46/20/1001854620.db2.gz CJHBBNOTMHXMHP-UHFFFAOYSA-N 0 1 406.442 3.921 20 5 HHBDMN CCN1C[C@H](C)N(C(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498555425 1001971411 /nfs/dbraw/zinc/97/14/11/1001971411.db2.gz QBPAUJQNJSHLEC-ULQDDVLXSA-N 0 1 411.506 3.718 20 5 HHBDMN COc1ccc([C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc2OC)cc1 ZINC000507311298 1001990998 /nfs/dbraw/zinc/99/09/98/1001990998.db2.gz FYXXMDPYPUBTEP-OAQYLSRUSA-N 0 1 408.410 3.837 20 5 HHBDMN O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507328812 1002004856 /nfs/dbraw/zinc/00/48/56/1002004856.db2.gz UZMGPCPTRWFGDJ-UHFFFAOYSA-N 0 1 409.373 3.622 20 5 HHBDMN Cc1ccc(S(=O)(=O)N[C@H](c2c[nH]c3ccccc32)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000508068566 1002589875 /nfs/dbraw/zinc/58/98/75/1002589875.db2.gz OCORZLNCUYSGNA-MRXNPFEDSA-N 0 1 413.377 3.966 20 5 HHBDMN O=C(Nc1ccc2[nH]nnc2c1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000508101516 1002626237 /nfs/dbraw/zinc/62/62/37/1002626237.db2.gz JGSUANYUBPYWGJ-UHFFFAOYSA-N 0 1 418.200 3.611 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000511871955 1003852008 /nfs/dbraw/zinc/85/20/08/1003852008.db2.gz GGQSVNYVIMPSAV-NJYVYQBISA-N 0 1 400.500 3.637 20 5 HHBDMN C[NH+](C)Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl ZINC000500785097 1003954959 /nfs/dbraw/zinc/95/49/59/1003954959.db2.gz DTJGYMGFEDGBSJ-UHFFFAOYSA-N 0 1 404.275 3.764 20 5 HHBDMN COc1ccc(CNCc2cccnc2N(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000509601794 1003972423 /nfs/dbraw/zinc/97/24/23/1003972423.db2.gz MSDRIUKZAQSYOY-UHFFFAOYSA-N 0 1 422.485 3.933 20 5 HHBDMN O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512041409 1003975553 /nfs/dbraw/zinc/97/55/53/1003975553.db2.gz MBSDPOMULHDQGB-KRWDZBQOSA-N 0 1 422.407 3.687 20 5 HHBDMN CC1CCN([C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c2cccs2)CC1 ZINC000512058609 1003990027 /nfs/dbraw/zinc/99/00/27/1003990027.db2.gz OIGOTNFNGCQROK-MRXNPFEDSA-N 0 1 406.483 3.581 20 5 HHBDMN CCN(CC)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccccc1Cl ZINC000512062763 1003993018 /nfs/dbraw/zinc/99/30/18/1003993018.db2.gz QYSAIFRHXTYKFY-QGZVFWFLSA-N 0 1 408.861 3.782 20 5 HHBDMN Cc1cccc(CCCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000509633603 1003994497 /nfs/dbraw/zinc/99/44/97/1003994497.db2.gz AOBWXOHKUSBZOY-UHFFFAOYSA-N 0 1 404.275 3.516 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2Cc3cc(Br)ccc3C[C@H]2C)c1[N+](=O)[O-] ZINC000501343774 1004357481 /nfs/dbraw/zinc/35/74/81/1004357481.db2.gz MVQMSEMQDKDPPG-SNVBAGLBSA-N 0 1 407.268 3.791 20 5 HHBDMN COc1cccc(C2(NS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000510409574 1004546263 /nfs/dbraw/zinc/54/62/63/1004546263.db2.gz FLSREBDKLXTMRS-UHFFFAOYSA-N 0 1 417.270 3.878 20 5 HHBDMN O=C(Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000501743813 1004671405 /nfs/dbraw/zinc/67/14/05/1004671405.db2.gz RANQRBLUKSHJGN-GOSISDBHSA-N 0 1 405.458 3.950 20 5 HHBDMN C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)CN1Cc1ccccc1 ZINC000501805132 1004746985 /nfs/dbraw/zinc/74/69/85/1004746985.db2.gz MSZFIYGIXICYRU-SJORKVTESA-N 0 1 407.474 3.740 20 5 HHBDMN CCOc1cc(N2CCN(Cc3ccccc3-c3ccnn3C)CC2)ccc1[N+](=O)[O-] ZINC000513368267 1004929143 /nfs/dbraw/zinc/92/91/43/1004929143.db2.gz UUYXEBMLMBRZOR-UHFFFAOYSA-N 0 1 421.501 3.716 20 5 HHBDMN O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCCCN3Cc3cccc(Cl)c3)nn21 ZINC000502352946 1005030170 /nfs/dbraw/zinc/03/01/70/1005030170.db2.gz MUTFRIYTYWWZFO-INIZCTEOSA-N 0 1 400.870 3.758 20 5 HHBDMN CCOC(=O)c1cc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000502373465 1005042910 /nfs/dbraw/zinc/04/29/10/1005042910.db2.gz RLRQQWYPHBVCLL-GOSISDBHSA-N 0 1 407.430 3.898 20 5 HHBDMN CCOC(=O)c1cc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000502373465 1005042914 /nfs/dbraw/zinc/04/29/14/1005042914.db2.gz RLRQQWYPHBVCLL-GOSISDBHSA-N 0 1 407.430 3.898 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC1(c2ccccn2)CCC1 ZINC000511437708 1005176111 /nfs/dbraw/zinc/17/61/11/1005176111.db2.gz PCDDWTLKLCVIKR-UHFFFAOYSA-N 0 1 416.286 3.697 20 5 HHBDMN Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n[nH]1 ZINC000513935598 1005194671 /nfs/dbraw/zinc/19/46/71/1005194671.db2.gz JUCKCGLKUYQRIX-SFHVURJKSA-N 0 1 412.494 3.625 20 5 HHBDMN O=C([C@@H]1CCCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCOCC1 ZINC000514105246 1005267794 /nfs/dbraw/zinc/26/77/94/1005267794.db2.gz QARLEPFSXBNPKO-IBGZPJMESA-N 0 1 415.515 3.537 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000514152513 1005291415 /nfs/dbraw/zinc/29/14/15/1005291415.db2.gz VZKOODGMAWVEJH-UHFFFAOYSA-N 0 1 420.416 3.590 20 5 HHBDMN CCCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502955322 1005291632 /nfs/dbraw/zinc/29/16/32/1005291632.db2.gz KBWIVXBCECSAJV-QGZVFWFLSA-N 0 1 412.490 3.971 20 5 HHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514231144 1005323615 /nfs/dbraw/zinc/32/36/15/1005323615.db2.gz STTRZSSCMARLCU-UHFFFAOYSA-N 0 1 423.441 3.997 20 5 HHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(CCCN2CCOCC2)CC1 ZINC000503926709 1005513500 /nfs/dbraw/zinc/51/35/00/1005513500.db2.gz GYCKVJHUWAWMEY-UHFFFAOYSA-N 0 1 410.902 3.605 20 5 HHBDMN O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000504327289 1005598026 /nfs/dbraw/zinc/59/80/26/1005598026.db2.gz AEFKUUDCHSTOKW-CQSZACIVSA-N 0 1 400.263 3.783 20 5 HHBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000531073186 1005978081 /nfs/dbraw/zinc/97/80/81/1005978081.db2.gz GJMVYVSHTMFBSE-UHFFFAOYSA-N 0 1 400.826 3.864 20 5 HHBDMN CN1CC[C@@H](NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1c1ccccc1 ZINC000534020900 1005992179 /nfs/dbraw/zinc/99/21/79/1005992179.db2.gz YGHRQIWZLFVPFN-IEBWSBKVSA-N 0 1 408.483 3.894 20 5 HHBDMN O=C(CCNc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000514920492 1006205667 /nfs/dbraw/zinc/20/56/67/1006205667.db2.gz NEGBNMOAVZCBRI-UHFFFAOYSA-N 0 1 416.909 3.831 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000534215691 1006211236 /nfs/dbraw/zinc/21/12/36/1006211236.db2.gz JXDGKMZFWWVMAV-OAHLLOKOSA-N 0 1 423.473 3.606 20 5 HHBDMN NC(=O)c1ccc(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cn1 ZINC000531486617 1006225236 /nfs/dbraw/zinc/22/52/36/1006225236.db2.gz NNNHVUXYNYDUOJ-UHFFFAOYSA-N 0 1 412.833 3.824 20 5 HHBDMN C[C@@H](C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000515493608 1006498918 /nfs/dbraw/zinc/49/89/18/1006498918.db2.gz SDYKJFSDFIMTFI-KZNAEPCWSA-N 0 1 411.502 3.624 20 5 HHBDMN C[C@H](C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000515493607 1006499270 /nfs/dbraw/zinc/49/92/70/1006499270.db2.gz SDYKJFSDFIMTFI-KURKYZTESA-N 0 1 411.502 3.624 20 5 HHBDMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000531930815 1006527345 /nfs/dbraw/zinc/52/73/45/1006527345.db2.gz CGCWCAOGXPCFLT-LJQANCHMSA-N 0 1 418.413 3.761 20 5 HHBDMN COc1cccc([C@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)N2CCCC2)c1 ZINC000534540663 1006532469 /nfs/dbraw/zinc/53/24/69/1006532469.db2.gz PCPBZPIRXTYTNH-QFIPXVFZSA-N 0 1 424.501 3.508 20 5 HHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](NCCCF)c1ccccc1 ZINC000532262163 1006755715 /nfs/dbraw/zinc/75/57/15/1006755715.db2.gz SDYYPYDDMGUZFI-INIZCTEOSA-N 0 1 410.243 3.986 20 5 HHBDMN COc1cccc([C@H]2[C@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CCN2C2CC2)c1 ZINC000538674869 1006959314 /nfs/dbraw/zinc/95/93/14/1006959314.db2.gz GLJVFSXHUAUBEN-JPYJTQIMSA-N 0 1 422.485 3.878 20 5 HHBDMN CCOC[C@@H]1CCCN(Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000538727539 1007006590 /nfs/dbraw/zinc/00/65/90/1007006590.db2.gz ZCPQSRQXICCFLR-CYBMUJFWSA-N 0 1 406.401 3.793 20 5 HHBDMN COc1ccc(-c2ccc(CN3CCC[C@H]3[C@H](O)C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000538733141 1007015246 /nfs/dbraw/zinc/01/52/46/1007015246.db2.gz UATYPKXUVIIAON-YOEHRIQHSA-N 0 1 400.353 3.751 20 5 HHBDMN CCOC(=O)c1cc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000516331199 1007020519 /nfs/dbraw/zinc/02/05/19/1007020519.db2.gz QPLKSUXGMLCMHZ-SFHVURJKSA-N 0 1 424.413 3.752 20 5 HHBDMN Cc1cccnc1[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000532709927 1007123058 /nfs/dbraw/zinc/12/30/58/1007123058.db2.gz HAYHLBHIJPLNTQ-QGZVFWFLSA-N 0 1 421.295 3.986 20 5 HHBDMN Cc1c([C@H](C)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000539021163 1007318019 /nfs/dbraw/zinc/31/80/19/1007318019.db2.gz UQCZAWCRPVFECR-INIZCTEOSA-N 0 1 403.504 3.539 20 5 HHBDMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517191143 1007495283 /nfs/dbraw/zinc/49/52/83/1007495283.db2.gz SSVZKIZSGVLHBD-PIPMEXSNSA-N 0 1 405.502 3.843 20 5 HHBDMN C[C@H](c1ccccc1)N1CC[C@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517191143 1007495287 /nfs/dbraw/zinc/49/52/87/1007495287.db2.gz SSVZKIZSGVLHBD-PIPMEXSNSA-N 0 1 405.502 3.843 20 5 HHBDMN COc1cc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1OC ZINC000539224836 1007516862 /nfs/dbraw/zinc/51/68/62/1007516862.db2.gz IWRAHYYQGOZGCI-LLVKDONJSA-N 0 1 423.853 3.563 20 5 HHBDMN CC[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1OC(F)F ZINC000539253089 1007546867 /nfs/dbraw/zinc/54/68/67/1007546867.db2.gz BTZAXSWVRPRJGN-GFCCVEGCSA-N 0 1 423.372 3.604 20 5 HHBDMN COc1cc([C@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(C)C ZINC000539257614 1007551388 /nfs/dbraw/zinc/55/13/88/1007551388.db2.gz VJCRGGZFQBJUML-HNNXBMFYSA-N 0 1 401.463 3.988 20 5 HHBDMN C[C@@H](NCC(=O)N[C@H](C)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539282191 1007577693 /nfs/dbraw/zinc/57/76/93/1007577693.db2.gz WEABRHMSCZNNIC-CHWSQXEVSA-N 0 1 406.280 3.885 20 5 HHBDMN CN1CC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H]1c1ccc(Cl)cc1 ZINC000535542677 1007583059 /nfs/dbraw/zinc/58/30/59/1007583059.db2.gz OQUJYWDZVDSKFL-QRWLVFNGSA-N 0 1 400.866 3.990 20 5 HHBDMN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1Cl ZINC000533327169 1007638297 /nfs/dbraw/zinc/63/82/97/1007638297.db2.gz VPCOFLFVBPNVFN-UHFFFAOYSA-N 0 1 421.656 3.820 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC(c4c[nH]c5ncccc45)CC3)n2)cc1 ZINC000533382200 1007695091 /nfs/dbraw/zinc/69/50/91/1007695091.db2.gz DDVGQXRRHWXJLJ-UHFFFAOYSA-N 0 1 404.430 3.901 20 5 HHBDMN CO[C@@H](C)c1cccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000517485335 1007710730 /nfs/dbraw/zinc/71/07/30/1007710730.db2.gz WRUVVOCDLHALRA-JTQLQIEISA-N 0 1 415.265 3.866 20 5 HHBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccc(OC(F)F)c(OCC)c2)c1[N+](=O)[O-] 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/nfs/dbraw/zinc/09/89/37/1008098937.db2.gz FFGMZJCTYXOMTN-KRWDZBQOSA-N 0 1 409.471 3.836 20 5 HHBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000536072075 1008098942 /nfs/dbraw/zinc/09/89/42/1008098942.db2.gz FFGMZJCTYXOMTN-KRWDZBQOSA-N 0 1 409.471 3.836 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H]3c3n[nH]c(-c4ccccc4)n3)o2)cc1 ZINC000533868142 1008169482 /nfs/dbraw/zinc/16/94/82/1008169482.db2.gz UAVRCKZTJNQJQP-KRWDZBQOSA-N 0 1 417.429 3.767 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H]3c3nc(-c4ccccc4)n[nH]3)o2)cc1 ZINC000533868142 1008169490 /nfs/dbraw/zinc/16/94/90/1008169490.db2.gz UAVRCKZTJNQJQP-KRWDZBQOSA-N 0 1 417.429 3.767 20 5 HHBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nc2ccc(Br)cc2[nH]1 ZINC000533955578 1008231431 /nfs/dbraw/zinc/23/14/31/1008231431.db2.gz OUJRWKAKCDGKFU-UHFFFAOYSA-N 0 1 414.219 3.896 20 5 HHBDMN CCOC(=O)c1cc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000533969441 1008240787 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Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)[nH]c2c1 ZINC000522413044 1010991955 /nfs/dbraw/zinc/99/19/55/1010991955.db2.gz ASFJPIFTWPRMGT-SFHVURJKSA-N 0 1 400.460 3.614 20 5 HHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000522684511 1011158170 /nfs/dbraw/zinc/15/81/70/1011158170.db2.gz JWZDVZNJUWJEKB-YFHOEESVSA-N 0 1 423.454 3.974 20 5 HHBDMN O=[N+]([O-])c1ccc2[nH]cc(C=C(O)Nc3nc(-c4ccccc4Cl)ns3)c2c1 ZINC000536261880 1011426838 /nfs/dbraw/zinc/42/68/38/1011426838.db2.gz DMKSVCXYARMVGY-UHFFFAOYSA-N 0 1 413.846 3.851 20 5 HHBDMN Cc1c(Br)cc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000536349786 1011556459 /nfs/dbraw/zinc/55/64/59/1011556459.db2.gz QYDYCAJETQCGOD-AEFFLSMTSA-N 0 1 418.291 3.841 20 5 HHBDMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1Cl ZINC000541083261 1011724296 /nfs/dbraw/zinc/72/42/96/1011724296.db2.gz CCLJOBVKDQLPAM-UHFFFAOYSA-N 0 1 407.231 3.720 20 5 HHBDMN CCC1(CO)CCN(Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])CC1 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/nfs/dbraw/zinc/12/19/11/1012121911.db2.gz HFFXEJWDUJLZNE-INIZCTEOSA-N 0 1 411.886 3.899 20 5 HHBDMN CCc1ccc([C@H](NC[C@@H]2CN(CC(C)C)CCO2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549858 1012336047 /nfs/dbraw/zinc/33/60/47/1012336047.db2.gz KSZQOJAFQPHBEK-IFMALSPDSA-N 0 1 401.507 3.786 20 5 HHBDMN O=[N+]([O-])c1ccc(CNC[C@@H](O)COc2ccccc2Br)c(Cl)c1 ZINC000541555395 1012343884 /nfs/dbraw/zinc/34/38/84/1012343884.db2.gz BLPAEYYQLQQLAP-CYBMUJFWSA-N 0 1 415.671 3.540 20 5 HHBDMN O=C1NCCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1Cc1ccccc1 ZINC000552357648 1012365619 /nfs/dbraw/zinc/36/56/19/1012365619.db2.gz KYTMCIFIGMHTHQ-NRFANRHFSA-N 0 1 405.454 3.788 20 5 HHBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000537050516 1012374992 /nfs/dbraw/zinc/37/49/92/1012374992.db2.gz PFWQJDRFEQYWAN-MRXNPFEDSA-N 0 1 406.442 3.858 20 5 HHBDMN CCSc1ccc([C@H](C)NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000537101246 1012465932 /nfs/dbraw/zinc/46/59/32/1012465932.db2.gz FEAHJWLLQKFAEV-LBPRGKRZSA-N 0 1 403.460 3.725 20 5 HHBDMN COc1cc(C)c([C@@H](C)NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000537175573 1012581843 /nfs/dbraw/zinc/58/18/43/1012581843.db2.gz QDSJXOABRPQBDZ-HZPDHXFCSA-N 0 1 415.490 3.757 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000537328022 1012785321 /nfs/dbraw/zinc/78/53/21/1012785321.db2.gz VYRHZNUGBBLSJQ-SFHVURJKSA-N 0 1 405.882 3.745 20 5 HHBDMN CCc1c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[nH]nc1-c1ccncc1 ZINC000541982865 1012858491 /nfs/dbraw/zinc/85/84/91/1012858491.db2.gz BSFXFKXQIRCSGX-UHFFFAOYSA-N 0 1 403.345 3.796 20 5 HHBDMN Cn1ccc2c1cccc2NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000760357469 1072275195 /nfs/dbraw/zinc/27/51/95/1072275195.db2.gz UPXAIUKLPRIZPE-UHFFFAOYSA-N 0 1 410.249 3.650 20 5 HHBDMN Nc1cc(NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587368645 1072578925 /nfs/dbraw/zinc/57/89/25/1072578925.db2.gz HBXSZZJPQRPAFX-UHFFFAOYSA-N 0 1 424.423 3.765 20 5 HHBDMN CCN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000571227940 1072588005 /nfs/dbraw/zinc/58/80/05/1072588005.db2.gz JLVBGZMGEKIFLW-JXFKEZNVSA-N 0 1 419.407 3.814 20 5 HHBDMN COc1cc(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc([N+](=O)[O-])c1C ZINC000479387447 1072799524 /nfs/dbraw/zinc/79/95/24/1072799524.db2.gz AGOZPBPCSIDZAA-MRXNPFEDSA-N 0 1 407.430 3.674 20 5 HHBDMN COc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc([N+](=O)[O-])c1C ZINC000479387447 1072799531 /nfs/dbraw/zinc/79/95/31/1072799531.db2.gz AGOZPBPCSIDZAA-MRXNPFEDSA-N 0 1 407.430 3.674 20 5 HHBDMN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000555462762 1073510815 /nfs/dbraw/zinc/51/08/15/1073510815.db2.gz NXBKMCZNJULOFK-UHFFFAOYSA-N 0 1 424.379 3.669 20 5 HHBDMN COc1cc([C@@H](NCc2cc(O)ccc2[N+](=O)[O-])C(F)(F)F)cc(OC)c1OC ZINC000590170941 1073658409 /nfs/dbraw/zinc/65/84/09/1073658409.db2.gz LNGVRNVERWOKGE-QGZVFWFLSA-N 0 1 416.352 3.719 20 5 HHBDMN O=[N+]([O-])c1cnc(Cl)cc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904192 721691477 /nfs/dbraw/zinc/69/14/77/721691477.db2.gz DRLUTZKJEYWFTE-SFHVURJKSA-N 0 1 423.851 3.776 20 5 HHBDMN COC(=O)c1cc([N+](=O)[O-])c(NC2CCN(Cc3ccccn3)CC2)cc1Cl ZINC000301652275 971015847 /nfs/dbraw/zinc/01/58/47/971015847.db2.gz GRAIJFFRMJOIAP-UHFFFAOYSA-N 0 1 404.854 3.506 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1cccc(F)c1 ZINC000524253343 1013063449 /nfs/dbraw/zinc/06/34/49/1013063449.db2.gz MIZPMRGYZDKYIM-INIZCTEOSA-N 0 1 410.243 3.529 20 5 HHBDMN CCc1nc(C2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000302659500 971273057 /nfs/dbraw/zinc/27/30/57/971273057.db2.gz DRSXGZGKOUNZCR-UHFFFAOYSA-N 0 1 405.458 3.890 20 5 HHBDMN CCc1nnc(C2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000302659500 971273066 /nfs/dbraw/zinc/27/30/66/971273066.db2.gz DRSXGZGKOUNZCR-UHFFFAOYSA-N 0 1 405.458 3.890 20 5 HHBDMN C[C@@H]1CCCN(Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000302680768 971278025 /nfs/dbraw/zinc/27/80/25/971278025.db2.gz WPWHEAMEHSRKJO-MRXNPFEDSA-N 0 1 417.531 3.842 20 5 HHBDMN COc1ccc(CC(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000537557831 1013083815 /nfs/dbraw/zinc/08/38/15/1013083815.db2.gz NZUOEFGJPXUXRU-UHFFFAOYSA-N 0 1 403.398 3.723 20 5 HHBDMN CC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000524314317 1013130765 /nfs/dbraw/zinc/13/07/65/1013130765.db2.gz NDQWNTZVQSNLNP-CQSZACIVSA-N 0 1 404.423 3.554 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1cccc(Br)c1 ZINC000542210113 1013156189 /nfs/dbraw/zinc/15/61/89/1013156189.db2.gz NFIOSAZTJYGCBS-DLBZAZTESA-N 0 1 421.291 3.934 20 5 HHBDMN CN(c1ccccc1)c1ccc(CN2CCC(N3CCCNC3=O)CC2)cc1[N+](=O)[O-] ZINC000537633189 1013188103 /nfs/dbraw/zinc/18/81/03/1013188103.db2.gz GFBGRHFKJAJZDQ-UHFFFAOYSA-N 0 1 423.517 3.742 20 5 HHBDMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000004877846 960621720 /nfs/dbraw/zinc/62/17/20/960621720.db2.gz OEIGHPCEAGEWKB-UHFFFAOYSA-N 0 1 407.814 3.903 20 5 HHBDMN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2Cl)N2CCCC2)n1 ZINC000553250457 1013216556 /nfs/dbraw/zinc/21/65/56/1013216556.db2.gz AGSIYHKFZYITHF-QGZVFWFLSA-N 0 1 404.854 3.679 20 5 HHBDMN COc1ccc([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1Br ZINC000007879320 961359668 /nfs/dbraw/zinc/35/96/68/961359668.db2.gz XMWXWTPFEHLCEW-NSHDSACASA-N 0 1 408.252 3.655 20 5 HHBDMN CN(CCCN(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccco1 ZINC000553407210 1013333343 /nfs/dbraw/zinc/33/33/43/1013333343.db2.gz BYQPNKDUWNLFIB-UHFFFAOYSA-N 0 1 411.911 3.914 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCCC1 ZINC000014515010 962518794 /nfs/dbraw/zinc/51/87/94/962518794.db2.gz WUKLBZGJOWUREZ-GOSISDBHSA-N 0 1 403.866 3.824 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000015344672 962728736 /nfs/dbraw/zinc/72/87/36/962728736.db2.gz HSUFOPRSYKTYJA-UHFFFAOYSA-N 0 1 417.487 3.767 20 5 HHBDMN CCOc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])[nH]c2c1 ZINC000015689425 962838218 /nfs/dbraw/zinc/83/82/18/962838218.db2.gz XLUAXZURTONOEC-LLVKDONJSA-N 0 1 416.459 3.998 20 5 HHBDMN Cc1cc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000542474677 1013421962 /nfs/dbraw/zinc/42/19/62/1013421962.db2.gz NFHRBJPBGNKDRR-OAHLLOKOSA-N 0 1 405.336 3.560 20 5 HHBDMN CCc1nc(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n[nH]1 ZINC000021587277 963498106 /nfs/dbraw/zinc/49/81/06/963498106.db2.gz OWUMTZOPLTWQCJ-SECBINFHSA-N 0 1 404.477 3.518 20 5 HHBDMN CCc1n[nH]c(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000021587277 963498112 /nfs/dbraw/zinc/49/81/12/963498112.db2.gz OWUMTZOPLTWQCJ-SECBINFHSA-N 0 1 404.477 3.518 20 5 HHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c1 ZINC000024476127 964006771 /nfs/dbraw/zinc/00/67/71/964006771.db2.gz VYICZRHAJMLAHW-UHFFFAOYSA-N 0 1 420.922 3.974 20 5 HHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000025101567 964176101 /nfs/dbraw/zinc/17/61/01/964176101.db2.gz AGMIZEMLYUZUBV-UHFFFAOYSA-N 0 1 423.517 3.508 20 5 HHBDMN CC(C)(CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000025460927 964278295 /nfs/dbraw/zinc/27/82/95/964278295.db2.gz GIPVODQGNPNGFZ-UHFFFAOYSA-N 0 1 422.529 3.762 20 5 HHBDMN O=C(CN[C@@H](c1ccc(Cl)cc1)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000050273820 964299490 /nfs/dbraw/zinc/29/94/90/964299490.db2.gz OIBWWXHPXMDIBE-LJQANCHMSA-N 0 1 403.822 3.656 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccsc1 ZINC000050561558 964354271 /nfs/dbraw/zinc/35/42/71/964354271.db2.gz DQBCZJZCOIDGBS-INIZCTEOSA-N 0 1 402.501 3.813 20 5 HHBDMN C[C@@H](C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000542555862 1013498473 /nfs/dbraw/zinc/49/84/73/1013498473.db2.gz WRUSNNFCAASJNP-MRXNPFEDSA-N 0 1 421.513 3.767 20 5 HHBDMN CNc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)cc1[N+](=O)[O-] ZINC000027667401 964940009 /nfs/dbraw/zinc/94/00/09/964940009.db2.gz LNCHRVLLNGYZPI-NRFANRHFSA-N 0 1 412.490 3.602 20 5 HHBDMN COc1ccc(CN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000053097631 965061752 /nfs/dbraw/zinc/06/17/52/965061752.db2.gz USXYMRDLDONABL-OAHLLOKOSA-N 0 1 413.474 3.851 20 5 HHBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000537989790 1013564514 /nfs/dbraw/zinc/56/45/14/1013564514.db2.gz FAELHIXMTXJGMW-INIZCTEOSA-N 0 1 419.485 3.776 20 5 HHBDMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000055405792 965843795 /nfs/dbraw/zinc/84/37/95/965843795.db2.gz VSDIOXJUGQWMBY-UHFFFAOYSA-N 0 1 414.437 3.801 20 5 HHBDMN CCN(CC(C)C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000031376491 965998290 /nfs/dbraw/zinc/99/82/90/965998290.db2.gz FUXWZPGFUNGWJE-UHFFFAOYSA-N 0 1 405.476 3.514 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000060063756 966055962 /nfs/dbraw/zinc/05/59/62/966055962.db2.gz GVDRYLLGDSHJCK-OAQYLSRUSA-N 0 1 413.474 3.569 20 5 HHBDMN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000032098230 966193923 /nfs/dbraw/zinc/19/39/23/966193923.db2.gz GVNGUWLYYOJXBN-UHFFFAOYSA-N 0 1 421.818 3.894 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)c1 ZINC000542722053 1013633735 /nfs/dbraw/zinc/63/37/35/1013633735.db2.gz AIDQEYGMDHWGSD-UHFFFAOYSA-N 0 1 423.454 3.951 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000538118636 1013679910 /nfs/dbraw/zinc/67/99/10/1013679910.db2.gz MUOBOPREXBRCCR-NWDGAFQWSA-N 0 1 409.389 3.883 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000538118633 1013680145 /nfs/dbraw/zinc/68/01/45/1013680145.db2.gz MUOBOPREXBRCCR-NEPJUHHUSA-N 0 1 409.389 3.883 20 5 HHBDMN CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)Nc1ccccc1C ZINC000063482348 966872336 /nfs/dbraw/zinc/87/23/36/966872336.db2.gz NWDVYJZRBKNDLC-UHFFFAOYSA-N 0 1 412.490 3.891 20 5 HHBDMN COc1cccc([C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000043306868 966948238 /nfs/dbraw/zinc/94/82/38/966948238.db2.gz DQCUGGCIIXFNLZ-OAQYLSRUSA-N 0 1 412.490 3.582 20 5 HHBDMN COc1ccc(S(=O)(=O)[N-]c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000538133077 1013695157 /nfs/dbraw/zinc/69/51/57/1013695157.db2.gz QKGAHEUKVAIQKZ-HNNXBMFYSA-N 0 1 419.503 3.636 20 5 HHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(OC(C)C)c(OC)c2)c([N+](=O)[O-])c1 ZINC000538154260 1013714749 /nfs/dbraw/zinc/71/47/49/1013714749.db2.gz AZDYISSCDHJODW-AWEZNQCLSA-N 0 1 417.462 3.689 20 5 HHBDMN O=C(NC1CCN(Cc2ccncc2)CC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065110172 967382016 /nfs/dbraw/zinc/38/20/16/967382016.db2.gz RRZKDJLLUBNOMQ-UHFFFAOYSA-N 0 1 423.498 3.508 20 5 HHBDMN CCN(CC)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000065413684 967456953 /nfs/dbraw/zinc/45/69/53/967456953.db2.gz LBCBIIHRXQRUAS-CQSZACIVSA-N 0 1 412.393 3.994 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)CCC(C)C)cc2)cc1[N+](=O)[O-] ZINC000045473348 967471222 /nfs/dbraw/zinc/47/12/22/967471222.db2.gz FQQXGHSYNNMAEC-UHFFFAOYSA-N 0 1 419.503 3.822 20 5 HHBDMN COc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1OC ZINC000553959108 1013723753 /nfs/dbraw/zinc/72/37/53/1013723753.db2.gz MRMHGJPEZFGCOW-GFCCVEGCSA-N 0 1 407.854 3.863 20 5 HHBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000065511078 967499964 /nfs/dbraw/zinc/49/99/64/967499964.db2.gz KXIBYTOPFCCCIZ-UHFFFAOYSA-N 0 1 418.497 3.818 20 5 HHBDMN Cc1cc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000045941550 967601976 /nfs/dbraw/zinc/60/19/76/967601976.db2.gz FMWISMQMVOPAML-UHFFFAOYSA-N 0 1 410.474 3.970 20 5 HHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000538181175 1013739512 /nfs/dbraw/zinc/73/95/12/1013739512.db2.gz SWVYLHHLPPPIBP-WBVHZDCISA-N 0 1 402.344 3.757 20 5 HHBDMN COc1ccc([C@@H](Cc2ccc(F)cc2)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000538181299 1013740601 /nfs/dbraw/zinc/74/06/01/1013740601.db2.gz VAMZTBGNICVKGB-OAQYLSRUSA-N 0 1 423.444 3.915 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000046624165 967888652 /nfs/dbraw/zinc/88/86/52/967888652.db2.gz JPCIACYNBHYFKJ-GASCZTMLSA-N 0 1 417.893 3.787 20 5 HHBDMN COc1ccc(NC(=O)CN[C@@H](COc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000538218001 1013769673 /nfs/dbraw/zinc/76/96/73/1013769673.db2.gz NHBHWQIBXPTLOP-NRFANRHFSA-N 0 1 421.453 3.952 20 5 HHBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000047343059 968145989 /nfs/dbraw/zinc/14/59/89/968145989.db2.gz JKUGQRYIHJRUEW-UHFFFAOYSA-N 0 1 401.386 3.771 20 5 HHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(OCC3CC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000538225058 1013774969 /nfs/dbraw/zinc/77/49/69/1013774969.db2.gz RNKNMLNNNFBHFO-ZDUSSCGKSA-N 0 1 417.437 3.821 20 5 HHBDMN Cc1ccc([C@@H](C)NCCN2c3cccc4cccc(c34)S2(=O)=O)cc1[N+](=O)[O-] ZINC000538276158 1013815409 /nfs/dbraw/zinc/81/54/09/1013815409.db2.gz IDZDKJATYBWLCM-OAHLLOKOSA-N 0 1 411.483 3.916 20 5 HHBDMN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000097249912 969105923 /nfs/dbraw/zinc/10/59/23/969105923.db2.gz LQOBVCZICVLTJK-JOCHJYFZSA-N 0 1 402.410 3.756 20 5 HHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(CCc2cccs2)CC1 ZINC000141441894 970115741 /nfs/dbraw/zinc/11/57/41/970115741.db2.gz ZPAVIPVMGPAKKX-HNNXBMFYSA-N 0 1 413.503 3.628 20 5 HHBDMN CC(C)c1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000236657455 970152241 /nfs/dbraw/zinc/15/22/41/970152241.db2.gz QBSUWPJAVYTOOH-HNNXBMFYSA-N 0 1 405.520 3.819 20 5 HHBDMN COc1cc(CN[C@@H](C)C(=O)NC(C)(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237154219 970232940 /nfs/dbraw/zinc/23/29/40/970232940.db2.gz LZCLJFIPJGYJIB-HNNXBMFYSA-N 0 1 415.490 3.575 20 5 HHBDMN COc1ccc(CN[C@H](C)C(=O)NC(C)(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237246064 970247933 /nfs/dbraw/zinc/24/79/33/970247933.db2.gz UIGNPOXFLZLXKM-OAHLLOKOSA-N 0 1 415.490 3.575 20 5 HHBDMN COc1ccc(-c2ccc(CNC[C@H](O)COc3cccc(C)c3)o2)c([N+](=O)[O-])c1 ZINC000237430050 970284413 /nfs/dbraw/zinc/28/44/13/970284413.db2.gz LROYHHQMRIDKEK-INIZCTEOSA-N 0 1 412.442 3.701 20 5 HHBDMN C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)N1CCc2sccc2C1 ZINC000301121082 970758543 /nfs/dbraw/zinc/75/85/43/970758543.db2.gz RQCIZMURDWFZKL-HNNXBMFYSA-N 0 1 414.531 3.751 20 5 HHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2cncc(Br)c2)cc1[N+](=O)[O-] ZINC000318544349 972663486 /nfs/dbraw/zinc/66/34/86/972663486.db2.gz LXYITEZNHKXPPM-UHFFFAOYSA-N 0 1 406.645 3.515 20 5 HHBDMN CC(C)c1ccc(-c2nc(-c3cc(N4CCN(C)CC4)ccn3)no2)cc1[N+](=O)[O-] ZINC000554806735 1014052405 /nfs/dbraw/zinc/05/24/05/1014052405.db2.gz WCKHAUWUVMNQES-UHFFFAOYSA-N 0 1 408.462 3.582 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCCC12CCOCC2 ZINC000409920416 973381276 /nfs/dbraw/zinc/38/12/76/973381276.db2.gz COYYIVNIPPYWNS-ZDUSSCGKSA-N 0 1 409.291 3.529 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccccc2N(C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000410326571 973887745 /nfs/dbraw/zinc/88/77/45/973887745.db2.gz OVMFJRIAMOIRGE-UHFFFAOYSA-N 0 1 405.476 3.783 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000410399929 973999562 /nfs/dbraw/zinc/99/95/62/973999562.db2.gz AEZRICDWPZKLME-UHFFFAOYSA-N 0 1 420.365 3.735 20 5 HHBDMN Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425969190 974073934 /nfs/dbraw/zinc/07/39/34/974073934.db2.gz WASIBFILAIWVAL-UHFFFAOYSA-N 0 1 416.432 3.709 20 5 HHBDMN COc1ccc(OCc2ccccn2)c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000425972639 974078025 /nfs/dbraw/zinc/07/80/25/974078025.db2.gz ZPSIRKMBAUXIHV-UHFFFAOYSA-N 0 1 423.473 3.611 20 5 HHBDMN COCCN(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000426516581 974501279 /nfs/dbraw/zinc/50/12/79/974501279.db2.gz NVNCRRPNCZUYFV-QFIPXVFZSA-N 0 1 422.485 3.685 20 5 HHBDMN COc1ccc(C[NH2+]Cc2cc(C(=O)[O-])co2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426700946 974605662 /nfs/dbraw/zinc/60/56/62/974605662.db2.gz WJGWXCVQRRLTSD-UHFFFAOYSA-N 0 1 412.398 3.763 20 5 HHBDMN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000426732493 974621848 /nfs/dbraw/zinc/62/18/48/974621848.db2.gz TXJXWHMQBAYZMN-GOSISDBHSA-N 0 1 422.466 3.985 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000427529950 975164216 /nfs/dbraw/zinc/16/42/16/975164216.db2.gz GTPARLDKYRJNNN-OAQYLSRUSA-N 0 1 402.410 3.999 20 5 HHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n2)cc1 ZINC000427575844 975195515 /nfs/dbraw/zinc/19/55/15/975195515.db2.gz XLKADJUWBUKHEC-UHFFFAOYSA-N 0 1 423.498 3.972 20 5 HHBDMN COc1ccccc1[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000427774791 975281381 /nfs/dbraw/zinc/28/13/81/975281381.db2.gz BHRNJJSCFYHNRV-GOSISDBHSA-N 0 1 422.846 3.918 20 5 HHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1OCCc2sccc21 ZINC000427824269 975309701 /nfs/dbraw/zinc/30/97/01/975309701.db2.gz DTKDHHIROTWMDC-RLFDGXBXSA-N 0 1 409.895 3.929 20 5 HHBDMN O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428018071 975388507 /nfs/dbraw/zinc/38/85/07/975388507.db2.gz RMPJXINUQATWBP-UHFFFAOYSA-N 0 1 410.283 3.896 20 5 HHBDMN COC(=O)[C@]1(c2ccccc2)CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000428775076 976047633 /nfs/dbraw/zinc/04/76/33/976047633.db2.gz WYFYCQUMUCNNDZ-OYHNWAKOSA-N 0 1 422.441 3.523 20 5 HHBDMN Cc1c(NC(=O)CCN2CCN(c3cccc(F)c3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000429257458 976545457 /nfs/dbraw/zinc/54/54/57/976545457.db2.gz RPUIXGDGBSYFSM-OAHLLOKOSA-N 0 1 400.454 3.582 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000430212091 977394653 /nfs/dbraw/zinc/39/46/53/977394653.db2.gz ZGYQINOZZSJTRJ-OAHLLOKOSA-N 0 1 416.453 3.776 20 5 HHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430292346 977452443 /nfs/dbraw/zinc/45/24/43/977452443.db2.gz ISSVMULUSVJYIQ-DOTOQJQBSA-N 0 1 421.457 3.691 20 5 HHBDMN Cc1c(Br)cc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cc1[N+](=O)[O-] ZINC000432614791 978911801 /nfs/dbraw/zinc/91/18/01/978911801.db2.gz FXXHUPLERDTSQE-UHFFFAOYSA-N 0 1 410.249 3.948 20 5 HHBDMN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nc(-c4ccncc4)n[nH]3)cc2[N+](=O)[O-])C1 ZINC000433109866 979077479 /nfs/dbraw/zinc/07/74/79/979077479.db2.gz MCFDTCJCEQNBEC-OKILXGFUSA-N 0 1 421.461 3.510 20 5 HHBDMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433166451 979112083 /nfs/dbraw/zinc/11/20/83/979112083.db2.gz XNOGTQKOFMCVJF-YJYMSZOUSA-N 0 1 403.504 3.576 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)c1[N+](=O)[O-] ZINC000433752122 979547399 /nfs/dbraw/zinc/54/73/99/979547399.db2.gz VEXFXFJLARXVTE-UHFFFAOYSA-N 0 1 410.478 3.547 20 5 HHBDMN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CCC(c4cnc[nH]4)CC3)cc2[N+](=O)[O-])C1 ZINC000434286918 980047520 /nfs/dbraw/zinc/04/75/20/980047520.db2.gz LFJBEZSTRHADNR-IYBDPMFKSA-N 0 1 411.506 3.820 20 5 HHBDMN Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000434408158 980151509 /nfs/dbraw/zinc/15/15/09/980151509.db2.gz VPYDSRDDUDILMO-SFHVURJKSA-N 0 1 421.457 3.505 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cnc1NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000434942187 980517355 /nfs/dbraw/zinc/51/73/55/980517355.db2.gz HGIWSTALLASHOD-UHFFFAOYSA-N 0 1 409.631 3.803 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cnc1NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000434942187 980517358 /nfs/dbraw/zinc/51/73/58/980517358.db2.gz HGIWSTALLASHOD-UHFFFAOYSA-N 0 1 409.631 3.803 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)nc2n3CCCCC2)ccc1[N+](=O)[O-] ZINC000435199202 980716630 /nfs/dbraw/zinc/71/66/30/980716630.db2.gz VHWLMBPPIBQKSQ-UHFFFAOYSA-N 0 1 400.460 3.780 20 5 HHBDMN COc1cccc([C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)N(C)C)c1 ZINC000437697731 982303283 /nfs/dbraw/zinc/30/32/83/982303283.db2.gz HNFJHNGRNZNXAY-NRFANRHFSA-N 0 1 412.490 3.580 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000438014704 982524660 /nfs/dbraw/zinc/52/46/60/982524660.db2.gz DAUSRYOUXJANBU-IBGZPJMESA-N 0 1 400.479 3.945 20 5 HHBDMN COc1ccc([C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2C)N2CCCCC2)cc1 ZINC000438904171 983145460 /nfs/dbraw/zinc/14/54/60/983145460.db2.gz YHJVXMFLWVSXGG-QFIPXVFZSA-N 0 1 411.502 3.798 20 5 HHBDMN C[C@@H](N(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C1(C)CC1 ZINC000439030803 983219929 /nfs/dbraw/zinc/21/99/29/983219929.db2.gz WMCVXUCKBBQLOX-CQSZACIVSA-N 0 1 417.487 3.656 20 5 HHBDMN COc1ccc(NC(=O)C2(NCc3cccc([N+](=O)[O-])c3C)CCCC2)cc1OC ZINC000440908479 983965671 /nfs/dbraw/zinc/96/56/71/983965671.db2.gz MFWUPXMNVZJZFU-UHFFFAOYSA-N 0 1 413.474 3.962 20 5 HHBDMN Cc1ccc([C@@H](Cn2ccnc2)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441378732 984218917 /nfs/dbraw/zinc/21/89/17/984218917.db2.gz OINYGMZPOIAEMM-YLJYHZDGSA-N 0 1 407.474 3.766 20 5 HHBDMN COc1ccc(OCCN2CCC[C@H]2c2cccc3c2OCCO3)c([N+](=O)[O-])c1 ZINC000441499539 984289039 /nfs/dbraw/zinc/28/90/39/984289039.db2.gz LODUFKQRMISVAK-KRWDZBQOSA-N 0 1 400.431 3.591 20 5 HHBDMN COc1ccc(OCCN(Cc2cccc(F)c2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000441530533 984306636 /nfs/dbraw/zinc/30/66/36/984306636.db2.gz RDBGEVXGHJDPCG-LJQANCHMSA-N 0 1 404.438 3.803 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441543364 984313339 /nfs/dbraw/zinc/31/33/39/984313339.db2.gz HOISHQFOIXMZFV-MRXNPFEDSA-N 0 1 420.878 3.959 20 5 HHBDMN O=C(c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)N1CCc2ccccc21 ZINC000442312846 984810871 /nfs/dbraw/zinc/81/08/71/984810871.db2.gz DXOXXSYFCPCSOL-UHFFFAOYSA-N 0 1 423.450 3.599 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2O)c1C ZINC000442845865 985242957 /nfs/dbraw/zinc/24/29/57/985242957.db2.gz YBZBDUDSSYDUPS-UHFFFAOYSA-N 0 1 406.338 3.617 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1cc(F)cc(F)c1 ZINC000462259285 985246034 /nfs/dbraw/zinc/24/60/34/985246034.db2.gz RKQGJDZREKFVTH-UHFFFAOYSA-N 0 1 411.213 3.701 20 5 HHBDMN COc1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)c([N+](=O)[O-])c1 ZINC000462377616 985361204 /nfs/dbraw/zinc/36/12/04/985361204.db2.gz BOKUGEVSDHLXGW-AWEZNQCLSA-N 0 1 419.503 3.764 20 5 HHBDMN COc1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)c([N+](=O)[O-])c1 ZINC000462377616 985361216 /nfs/dbraw/zinc/36/12/16/985361216.db2.gz BOKUGEVSDHLXGW-AWEZNQCLSA-N 0 1 419.503 3.764 20 5 HHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000462412759 985387338 /nfs/dbraw/zinc/38/73/38/985387338.db2.gz HLTMOMAYWMNLTH-IBGZPJMESA-N 0 1 410.518 3.862 20 5 HHBDMN COc1ccc(C)cc1CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462471759 985429564 /nfs/dbraw/zinc/42/95/64/985429564.db2.gz GTKWXQWHLNFAHE-UHFFFAOYSA-N 0 1 419.286 3.740 20 5 HHBDMN COc1ccccc1[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462474942 985432138 /nfs/dbraw/zinc/43/21/38/985432138.db2.gz OUTVPGCPEHAOOF-SECBINFHSA-N 0 1 405.259 3.950 20 5 HHBDMN CN(C)Cc1ccc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cc1F ZINC000462482589 985438101 /nfs/dbraw/zinc/43/81/01/985438101.db2.gz AZILBDUGSLZQGS-UHFFFAOYSA-N 0 1 410.449 4.382 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1c(F)cccc1F ZINC000462553055 985500690 /nfs/dbraw/zinc/50/06/90/985500690.db2.gz QKYHLSFZMYDGMJ-UHFFFAOYSA-N 0 1 411.213 3.701 20 5 HHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000462633238 985575191 /nfs/dbraw/zinc/57/51/91/985575191.db2.gz SQHXMHMQVGKWCL-HXUWFJFHSA-N 0 1 417.550 3.562 20 5 HHBDMN CCC1(C)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)C1 ZINC000462740216 985682045 /nfs/dbraw/zinc/68/20/45/985682045.db2.gz YSJATQQIWJZPJP-UHFFFAOYSA-N 0 1 417.487 3.576 20 5 HHBDMN Cc1cnc(Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)c([N+](=O)[O-])c1 ZINC000463050070 986009006 /nfs/dbraw/zinc/00/90/06/986009006.db2.gz YLBVFEFAOKGSQP-UHFFFAOYSA-N 0 1 404.474 3.759 20 5 HHBDMN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000468458625 986153068 /nfs/dbraw/zinc/15/30/68/986153068.db2.gz RBBPAXUAZNEGQB-IBGZPJMESA-N 0 1 413.468 3.810 20 5 HHBDMN COC(=O)COc1ccc(CN[C@H](C)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000443996710 986196848 /nfs/dbraw/zinc/19/68/48/986196848.db2.gz VNUVCYQVWMSFEC-GFCCVEGCSA-N 0 1 423.263 3.760 20 5 HHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000468571587 986276978 /nfs/dbraw/zinc/27/69/78/986276978.db2.gz KSCRYDDYVLSAHY-OAHLLOKOSA-N 0 1 420.263 3.780 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)ccc1[N+](=O)[O-] ZINC000468764546 986478253 /nfs/dbraw/zinc/47/82/53/986478253.db2.gz AWGATLDIIIIWOA-UHFFFAOYSA-N 0 1 405.457 3.836 20 5 HHBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](CC)Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000444362838 986541451 /nfs/dbraw/zinc/54/14/51/986541451.db2.gz HRBVBZKSQQKEDY-LBPRGKRZSA-N 0 1 409.284 3.736 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)c1[N+](=O)[O-] ZINC000444367695 986545392 /nfs/dbraw/zinc/54/53/92/986545392.db2.gz UNSSBUIWBSUFLZ-ZDUSSCGKSA-N 0 1 411.231 3.759 20 5 HHBDMN O=C(NCc1cc2cc(Br)ccc2[nH]1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000468863927 986573352 /nfs/dbraw/zinc/57/33/52/986573352.db2.gz GKCRVGGLLRSYGP-UHFFFAOYSA-N 0 1 414.219 3.645 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(Br)s1 ZINC000444767931 986927853 /nfs/dbraw/zinc/92/78/53/986927853.db2.gz RYBIILVJCQKTKQ-VIFPVBQESA-N 0 1 414.281 3.717 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)N2CCCC2)cc1 ZINC000444894515 987043611 /nfs/dbraw/zinc/04/36/11/987043611.db2.gz ITGSKUCWPMAMPO-LJQANCHMSA-N 0 1 414.462 3.571 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469446007 987132977 /nfs/dbraw/zinc/13/29/77/987132977.db2.gz JQSKBTRLMBUZCQ-KRWDZBQOSA-N 0 1 404.413 3.792 20 5 HHBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000470150391 988058768 /nfs/dbraw/zinc/05/87/68/988058768.db2.gz BJNHGNZRZYMFKM-VIFPVBQESA-N 0 1 401.320 3.887 20 5 HHBDMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000464185218 988307012 /nfs/dbraw/zinc/30/70/12/988307012.db2.gz LQFKPBFHTGTJOB-UHFFFAOYSA-N 0 1 423.454 3.890 20 5 HHBDMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000464361666 988517438 /nfs/dbraw/zinc/51/74/38/988517438.db2.gz HUVKDNVWLZBDQU-LLVKDONJSA-N 0 1 400.888 3.548 20 5 HHBDMN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000470803759 988866006 /nfs/dbraw/zinc/86/60/06/988866006.db2.gz FYNJMMYXGRRTFT-UHFFFAOYSA-N 0 1 404.430 3.710 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN(CCCO)[C@@H]3CCCc4ccccc43)o2)cc1 ZINC000471025665 989097397 /nfs/dbraw/zinc/09/73/97/989097397.db2.gz OBHJKUJJHUAXPF-HXUWFJFHSA-N 0 1 408.458 3.907 20 5 HHBDMN CC1CCN(c2ccc(C(=O)N3CCN(C)CC34CCCCC4)cc2[N+](=O)[O-])CC1 ZINC000471141556 989253862 /nfs/dbraw/zinc/25/38/62/989253862.db2.gz ZNTNQQYIZUAGOJ-UHFFFAOYSA-N 0 1 414.550 3.922 20 5 HHBDMN Cc1ccc2nc(CNC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000465201201 989545882 /nfs/dbraw/zinc/54/58/82/989545882.db2.gz TVZOVNXXXPKSGX-OAHLLOKOSA-N 0 1 407.474 3.946 20 5 HHBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000471428384 989606360 /nfs/dbraw/zinc/60/63/60/989606360.db2.gz RQXCXNMXNMUREW-UHFFFAOYSA-N 0 1 412.490 3.560 20 5 HHBDMN COc1ccc([C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000466427736 991717393 /nfs/dbraw/zinc/71/73/93/991717393.db2.gz DFMZKLONTRBTDW-FQEVSTJZSA-N 0 1 401.438 3.700 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000466470770 991761609 /nfs/dbraw/zinc/76/16/09/991761609.db2.gz PKRYEZQEWJXWBR-UHFFFAOYSA-N 0 1 417.897 3.712 20 5 HHBDMN Cc1ccc2nc(CNc3ccc(I)cc3[N+](=O)[O-])[nH]c2c1 ZINC000467006884 992314777 /nfs/dbraw/zinc/31/47/77/992314777.db2.gz PJILBXGYOXXKLD-UHFFFAOYSA-N 0 1 408.199 3.996 20 5 HHBDMN Cc1sc(S(=O)(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000467025725 992333605 /nfs/dbraw/zinc/33/36/05/992333605.db2.gz UUKKJRKMHPILAR-LBPRGKRZSA-N 0 1 416.349 3.825 20 5 HHBDMN COC[C@H]1CCCCN([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000467123024 992437268 /nfs/dbraw/zinc/43/72/68/992437268.db2.gz UNHYWGZNSDGDBB-GJZGRUSLSA-N 0 1 418.519 3.794 20 5 HHBDMN Cc1nc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)oc1-c1ccc(Cl)cc1 ZINC000472298083 993311524 /nfs/dbraw/zinc/31/15/24/993311524.db2.gz INKWQPPKHREQHP-UHFFFAOYSA-N 0 1 413.864 3.752 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc2ncccc2c1 ZINC000480727145 993594868 /nfs/dbraw/zinc/59/48/68/993594868.db2.gz NBAGQYDQUIPBJJ-UHFFFAOYSA-N 0 1 412.254 3.928 20 5 HHBDMN CCOCCC1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000480872226 993740096 /nfs/dbraw/zinc/74/00/96/993740096.db2.gz UFOROYNXUGBZHO-UHFFFAOYSA-N 0 1 411.307 3.777 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CCN2CCCC2)c2ccccc2)c1C ZINC000481014971 993857971 /nfs/dbraw/zinc/85/79/71/993857971.db2.gz HDODCAVTFBIRKV-UHFFFAOYSA-N 0 1 403.504 3.503 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000481075500 993914532 /nfs/dbraw/zinc/91/45/32/993914532.db2.gz RVTYBUKQKDIAND-HZPDHXFCSA-N 0 1 419.503 3.626 20 5 HHBDMN Cc1ccc(NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000481096741 993935174 /nfs/dbraw/zinc/93/51/74/993935174.db2.gz XRZRYBLAXSMTFX-UHFFFAOYSA-N 0 1 405.476 3.997 20 5 HHBDMN COc1cc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ccc1OCCC(C)C ZINC000481308588 994125553 /nfs/dbraw/zinc/12/55/53/994125553.db2.gz LEKFYAUWVZQWSP-UHFFFAOYSA-N 0 1 412.446 3.835 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(c1cccc(F)c1)C1CCN(C)CC1 ZINC000481375480 994207038 /nfs/dbraw/zinc/20/70/38/994207038.db2.gz RJNHIEORZXGIQZ-UHFFFAOYSA-N 0 1 421.494 3.640 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000481377830 994209153 /nfs/dbraw/zinc/20/91/53/994209153.db2.gz VQBRHAUAJFBCSN-CRAIPNDOSA-N 0 1 423.560 3.635 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000481379480 994210989 /nfs/dbraw/zinc/21/09/89/994210989.db2.gz ZTZNYQMOFBYUKV-KRWDZBQOSA-N 0 1 417.531 3.716 20 5 HHBDMN COc1ccc(NC(=O)CN[C@@H](C)[C@H](OC)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000481387821 994219109 /nfs/dbraw/zinc/21/91/09/994219109.db2.gz CMOMNSXMWJUGMC-BUXKBTBVSA-N 0 1 407.854 3.561 20 5 HHBDMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000481479552 994313270 /nfs/dbraw/zinc/31/32/70/994313270.db2.gz DTEKHABWBNKEBQ-RNODOKPDSA-N 0 1 403.866 3.503 20 5 HHBDMN CSc1cc2c(cc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)OCCO2 ZINC000481981263 994877493 /nfs/dbraw/zinc/87/74/93/994877493.db2.gz ZYPHQGIFSQBAQA-UHFFFAOYSA-N 0 1 410.473 3.506 20 5 HHBDMN COc1cccc([C@H]2[C@H](NC(=O)CCc3cccc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000482068644 995002221 /nfs/dbraw/zinc/00/22/21/995002221.db2.gz AFZQLAYTCGFIKW-GGAORHGYSA-N 0 1 409.486 3.630 20 5 HHBDMN COc1cccc([C@H]2[C@@H](NC(=O)Cc3cccc([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000482096544 995039143 /nfs/dbraw/zinc/03/91/43/995039143.db2.gz BMQCFQOHFCRFDP-REWPJTCUSA-N 0 1 409.486 3.549 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2OC)N2CCCCC2)cc1 ZINC000474200867 995195901 /nfs/dbraw/zinc/19/59/01/995195901.db2.gz VJERBBWYNRTHIM-HXUWFJFHSA-N 0 1 413.474 3.569 20 5 HHBDMN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(Cl)cc3-n3cncn3)CC2)cc1 ZINC000474277995 995273962 /nfs/dbraw/zinc/27/39/62/995273962.db2.gz VYGMWJXJNAPTML-UHFFFAOYSA-N 0 1 413.865 3.872 20 5 HHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000482828756 995776779 /nfs/dbraw/zinc/77/67/79/995776779.db2.gz POTCURVLBOFBCO-AWEZNQCLSA-N 0 1 411.487 3.966 20 5 HHBDMN COC(=O)COc1ccc(CN2C[C@H](C)C[C@@H]2c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000475122540 995936404 /nfs/dbraw/zinc/93/64/04/995936404.db2.gz VWYQSBQFULELAB-DNVCBOLYSA-N 0 1 414.458 3.738 20 5 HHBDMN COc1c(C(=O)Nc2cccc(CN3CCSCC3)c2C)cccc1[N+](=O)[O-] ZINC000475383570 996103953 /nfs/dbraw/zinc/10/39/53/996103953.db2.gz MWSDWQAUXQBWFD-UHFFFAOYSA-N 0 1 401.488 3.713 20 5 HHBDMN COC(=O)COc1ccc(CN(C)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000475583861 996231640 /nfs/dbraw/zinc/23/16/40/996231640.db2.gz NYOPDWUNFKBHRP-UHFFFAOYSA-N 0 1 423.263 3.541 20 5 HHBDMN CCOC(=O)C1(COC)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000475618686 996252400 /nfs/dbraw/zinc/25/24/00/996252400.db2.gz OVVSSPLPNWRIBS-UHFFFAOYSA-N 0 1 402.447 3.647 20 5 HHBDMN COC(=O)COc1ccc(CN2CC[C@H](C)[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000475713854 996317368 /nfs/dbraw/zinc/31/73/68/996317368.db2.gz FSJUEHASQRJTHJ-QKKBWIMNSA-N 0 1 402.422 3.869 20 5 HHBDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)C2 ZINC000476122740 996615114 /nfs/dbraw/zinc/61/51/14/996615114.db2.gz SUYJQBNQFHJVRJ-XOBRGWDASA-N 0 1 400.504 3.820 20 5 HHBDMN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(OC(F)(F)F)cc1 ZINC000484862258 997227155 /nfs/dbraw/zinc/22/71/55/997227155.db2.gz MFTSWRHNBKUOCJ-LBPRGKRZSA-N 0 1 409.364 3.733 20 5 HHBDMN COc1ccc(CCN(CC(C)C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OC ZINC000477022108 997655562 /nfs/dbraw/zinc/65/55/62/997655562.db2.gz CZZQMCGFHSNYBS-UHFFFAOYSA-N 0 1 402.447 3.659 20 5 HHBDMN CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000477103125 997756050 /nfs/dbraw/zinc/75/60/50/997756050.db2.gz SYKCRMTYQFUTMC-UHFFFAOYSA-N 0 1 400.218 3.590 20 5 HHBDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C2 ZINC000477109473 997762627 /nfs/dbraw/zinc/76/26/27/997762627.db2.gz JPSCVXJMKLPXKS-LBPRGKRZSA-N 0 1 410.396 3.881 20 5 HHBDMN CSc1cccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000485512332 997968748 /nfs/dbraw/zinc/96/87/48/997968748.db2.gz BUMRFTIZSTZAPJ-AWEZNQCLSA-N 0 1 400.504 3.667 20 5 HHBDMN COC(=O)c1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(C)c([N+](=O)[O-])c1 ZINC000486015488 998460856 /nfs/dbraw/zinc/46/08/56/998460856.db2.gz JLKSDKVKGRWPFG-UHFFFAOYSA-N 0 1 418.349 3.509 20 5 HHBDMN CSc1cccc(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)c1[N+](=O)[O-] ZINC000486203654 998642565 /nfs/dbraw/zinc/64/25/65/998642565.db2.gz KODMREYXKYJGIG-UHFFFAOYSA-N 0 1 421.563 3.860 20 5 HHBDMN COC(=O)c1cnc(NC[C@H](c2cccc(Cl)c2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000478259287 998850106 /nfs/dbraw/zinc/85/01/06/998850106.db2.gz MOBNIHNIRUMCEE-QGZVFWFLSA-N 0 1 404.854 3.679 20 5 HHBDMN O=[N+]([O-])c1ccc(CNCc2n[nH]c(-c3ccc(Br)cc3)n2)c(F)c1 ZINC000478274577 998858091 /nfs/dbraw/zinc/85/80/91/998858091.db2.gz LTVXVVVJCJDDMR-UHFFFAOYSA-N 0 1 406.215 3.571 20 5 HHBDMN O=[N+]([O-])c1ccc(CNCc2nc(-c3ccc(Br)cc3)n[nH]2)c(F)c1 ZINC000478274577 998858099 /nfs/dbraw/zinc/85/80/99/998858099.db2.gz LTVXVVVJCJDDMR-UHFFFAOYSA-N 0 1 406.215 3.571 20 5 HHBDMN CCN(CC)[C@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000478290491 998867943 /nfs/dbraw/zinc/86/79/43/998867943.db2.gz LQANZANGEUAKTC-QGZVFWFLSA-N 0 1 406.870 3.925 20 5 HHBDMN CN(CCn1ccc([N+](=O)[O-])n1)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000478417692 998947207 /nfs/dbraw/zinc/94/72/07/998947207.db2.gz NIUNGNHZKYSMRN-UHFFFAOYSA-N 0 1 408.487 3.838 20 5 HHBDMN Cc1c(CN[C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000478506823 998999780 /nfs/dbraw/zinc/99/97/80/998999780.db2.gz OLFJYWWFMSEJTD-KRWDZBQOSA-N 0 1 417.531 3.929 20 5 HHBDMN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000479503731 999447728 /nfs/dbraw/zinc/44/77/28/999447728.db2.gz OYYUYQCOCVOMKR-SJCJKPOMSA-N 0 1 409.364 3.950 20 5 HHBDMN COc1cc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc([N+](=O)[O-])c1C ZINC000479861481 999628434 /nfs/dbraw/zinc/62/84/34/999628434.db2.gz IBPPIWBFKSMQHA-UHFFFAOYSA-N 0 1 405.208 3.803 20 5 HHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000488882799 999635884 /nfs/dbraw/zinc/63/58/84/999635884.db2.gz CWEBQVLKBLCSAS-OAHLLOKOSA-N 0 1 417.506 3.995 20 5 HHBDMN C[C@H]1CCCN(c2ccc(C(=O)NCc3nc4ccc(F)cc4[nH]3)cc2[N+](=O)[O-])C1 ZINC000479961712 999665297 /nfs/dbraw/zinc/66/52/97/999665297.db2.gz VPEUEHCVQWJQTO-ZDUSSCGKSA-N 0 1 411.437 3.777 20 5 HHBDMN Cc1c(CNC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000480056448 999704213 /nfs/dbraw/zinc/70/42/13/999704213.db2.gz FKZJXAUUGFJVIY-SFHVURJKSA-N 0 1 406.446 3.735 20 5 HHBDMN Cc1c(CNC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000480056448 999704216 /nfs/dbraw/zinc/70/42/16/999704216.db2.gz FKZJXAUUGFJVIY-SFHVURJKSA-N 0 1 406.446 3.735 20 5 HHBDMN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2F)c1[N+](=O)[O-] ZINC000480188979 999740136 /nfs/dbraw/zinc/74/01/36/999740136.db2.gz HLSZQJUUQBWZBJ-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN O=C(CSc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CCSCC2)c1 ZINC000489453020 999770631 /nfs/dbraw/zinc/77/06/31/999770631.db2.gz PTLYZVVARYKLQP-UHFFFAOYSA-N 0 1 403.529 3.874 20 5 HHBDMN C[C@H](c1ccccc1)N1CC[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480404079 999790786 /nfs/dbraw/zinc/79/07/86/999790786.db2.gz OEUVLQFPVKYRDT-APWZRJJASA-N 0 1 419.485 3.807 20 5 HHBDMN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480404080 999790805 /nfs/dbraw/zinc/79/08/05/999790805.db2.gz OEUVLQFPVKYRDT-LPHOPBHVSA-N 0 1 419.485 3.807 20 5 HHBDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000480534025 999820293 /nfs/dbraw/zinc/82/02/93/999820293.db2.gz XILDXSKLZPPXRE-UHFFFAOYSA-N 0 1 415.413 3.639 20 5 HHBDMN COc1cccc([C@H](CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)N(C)C)c1 ZINC000489870845 999852043 /nfs/dbraw/zinc/85/20/43/999852043.db2.gz IIFLWOKHOMGODM-NRFANRHFSA-N 0 1 412.490 3.580 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000480671858 999855813 /nfs/dbraw/zinc/85/58/13/999855813.db2.gz SWHWXHLPQRBLIV-CVEARBPZSA-N 0 1 406.504 3.815 20 5 HHBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480685555 999858917 /nfs/dbraw/zinc/85/89/17/999858917.db2.gz AHTGZRJPGXXOGI-QKKBWIMNSA-N 0 1 411.437 3.564 20 5 HHBDMN CN1CCN(c2ncccc2CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000490178190 999905478 /nfs/dbraw/zinc/90/54/78/999905478.db2.gz JZARIQBWZDUPNF-QHCPKHFHSA-N 0 1 417.513 3.621 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000490216727 999912748 /nfs/dbraw/zinc/91/27/48/999912748.db2.gz OCCQOZPJMHHSPP-HXUWFJFHSA-N 0 1 407.474 3.956 20 5 HHBDMN O=[N+]([O-])c1cccc([C@@H](NC[C@@H](O)COc2ccc(F)c(F)c2)c2ccccc2)c1 ZINC000491008014 1000033548 /nfs/dbraw/zinc/03/35/48/1000033548.db2.gz OZTGRODRRRIJJD-GCJKJVERSA-N 0 1 414.408 3.992 20 5 HHBDMN COc1cc(CNCc2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493762381 1000190693 /nfs/dbraw/zinc/19/06/93/1000190693.db2.gz GSJLYRAWFZCVHT-UHFFFAOYSA-N 0 1 406.389 3.722 20 5 HHBDMN CCOc1ccc([C@@H](C)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000504911510 1000443584 /nfs/dbraw/zinc/44/35/84/1000443584.db2.gz HMZBKNOLRUBMAM-QVKFZJNVSA-N 0 1 413.474 3.962 20 5 HHBDMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000494489464 1000519798 /nfs/dbraw/zinc/51/97/98/1000519798.db2.gz ATTBFRATQGOATQ-UHFFFAOYSA-N 0 1 417.531 3.891 20 5 HHBDMN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494500537 1000526660 /nfs/dbraw/zinc/52/66/60/1000526660.db2.gz AIHQKRFMMZSKLL-PDSMFRHLSA-N 0 1 407.829 3.834 20 5 HHBDMN O=C([C@H]1CN(Cc2ccccc2)CCC1(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000505129526 1000565794 /nfs/dbraw/zinc/56/57/94/1000565794.db2.gz JDOCRGYPQYFAQC-GOSISDBHSA-N 0 1 401.413 3.641 20 5 HHBDMN CC(C)OCCCN(C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000495024709 1000785632 /nfs/dbraw/zinc/78/56/32/1000785632.db2.gz LAHUEDQYUQYRPX-AWEZNQCLSA-N 0 1 406.508 3.792 20 5 HHBDMN COc1cc(CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C2CC2)ccc1OC(F)F ZINC000505737044 1001000025 /nfs/dbraw/zinc/00/00/25/1001000025.db2.gz UZEZOFZITPIXOG-UHFFFAOYSA-N 0 1 408.357 3.715 20 5 HHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000506208173 1001279163 /nfs/dbraw/zinc/27/91/63/1001279163.db2.gz HBAKNKPOPDLYOK-ZDUSSCGKSA-N 0 1 412.377 3.509 20 5 HHBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000497190334 1001279851 /nfs/dbraw/zinc/27/98/51/1001279851.db2.gz GBCSYZGYPNDVOS-IBGZPJMESA-N 0 1 416.441 3.767 20 5 HHBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000497190334 1001279855 /nfs/dbraw/zinc/27/98/55/1001279855.db2.gz GBCSYZGYPNDVOS-IBGZPJMESA-N 0 1 416.441 3.767 20 5 HHBDMN O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506210442 1001280725 /nfs/dbraw/zinc/28/07/25/1001280725.db2.gz NPKCYDACVDCYDH-UHFFFAOYSA-N 0 1 409.373 3.622 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2C[NH+]2CCCCCC2)s1 ZINC000497358893 1001307957 /nfs/dbraw/zinc/30/79/57/1001307957.db2.gz YDZRVWHZCXDPDN-UHFFFAOYSA-N 0 1 409.533 3.511 20 5 HHBDMN CC1CCN(c2ccc(C(=O)N[C@H]3CN(C)C[C@H]3c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000497433538 1001362669 /nfs/dbraw/zinc/36/26/69/1001362669.db2.gz YAYAYACRIXNBPW-SFTDATJTSA-N 0 1 422.529 3.659 20 5 HHBDMN CS(=O)(=O)c1cccc(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c1[N+](=O)[O-] ZINC000497515763 1001414798 /nfs/dbraw/zinc/41/47/98/1001414798.db2.gz DGMNPTHRNKYDAR-UHFFFAOYSA-N 0 1 410.864 3.588 20 5 HHBDMN COc1cc(CN(C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000506568151 1001461143 /nfs/dbraw/zinc/46/11/43/1001461143.db2.gz MBJGAWZUEOBJSL-GFCCVEGCSA-N 0 1 404.385 3.545 20 5 HHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000498234701 1001721536 /nfs/dbraw/zinc/72/15/36/1001721536.db2.gz LWZVGROAFCVQPE-UHFFFAOYSA-N 0 1 420.416 3.509 20 5 HHBDMN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507083950 1001797345 /nfs/dbraw/zinc/79/73/45/1001797345.db2.gz IVWNDCBMCOWTNJ-PIGZYNQJSA-N 0 1 421.247 3.665 20 5 HHBDMN O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507093822 1001803350 /nfs/dbraw/zinc/80/33/50/1001803350.db2.gz JCYIIFIRJVWSJL-UHFFFAOYSA-N 0 1 419.743 3.567 20 5 HHBDMN Cc1cccc2nc(CNC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)[nH]c21 ZINC000498398455 1001825680 /nfs/dbraw/zinc/82/56/80/1001825680.db2.gz DTQPZGRWSCJREW-UHFFFAOYSA-N 0 1 407.474 3.946 20 5 HHBDMN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000507178577 1001864903 /nfs/dbraw/zinc/86/49/03/1001864903.db2.gz LTCNMWSKDSDIHR-PIGZYNQJSA-N 0 1 400.822 3.727 20 5 HHBDMN COc1ccc([C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc2OC)cc1 ZINC000507311292 1001991033 /nfs/dbraw/zinc/99/10/33/1001991033.db2.gz FYXXMDPYPUBTEP-NRFANRHFSA-N 0 1 408.410 3.837 20 5 HHBDMN COc1cc(S(=O)(=O)Nc2ccc3nc(C(F)F)sc3c2)ccc1[N+](=O)[O-] ZINC000507567429 1002171779 /nfs/dbraw/zinc/17/17/79/1002171779.db2.gz NYPCFZLKWFJFFR-UHFFFAOYSA-N 0 1 415.399 3.952 20 5 HHBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000499182011 1002572534 /nfs/dbraw/zinc/57/25/34/1002572534.db2.gz ZVEFJDIHUBHSJO-UHFFFAOYSA-N 0 1 412.427 3.716 20 5 HHBDMN O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000499565466 1002945541 /nfs/dbraw/zinc/94/55/41/1002945541.db2.gz VGRKNPOWXGOUIB-LLVKDONJSA-N 0 1 422.392 3.603 20 5 HHBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000499957415 1003276922 /nfs/dbraw/zinc/27/69/22/1003276922.db2.gz STBGPRHRNPUREF-UHFFFAOYSA-N 0 1 413.371 3.736 20 5 HHBDMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000511822653 1003792302 /nfs/dbraw/zinc/79/23/02/1003792302.db2.gz JISWSXTZQYOLNB-CQSZACIVSA-N 0 1 411.355 3.757 20 5 HHBDMN Cc1cccc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000511826610 1003797026 /nfs/dbraw/zinc/79/70/26/1003797026.db2.gz QYDVIGDPYXWYKN-MRXNPFEDSA-N 0 1 407.392 3.926 20 5 HHBDMN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccc(-c4nnc[nH]4)c3)cc2[N+](=O)[O-])C1 ZINC000511967706 1003926160 /nfs/dbraw/zinc/92/61/60/1003926160.db2.gz OWINOYNIKAHBTH-CQSZACIVSA-N 0 1 406.446 3.869 20 5 HHBDMN Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000509554156 1003941855 /nfs/dbraw/zinc/94/18/55/1003941855.db2.gz IVBBOSKBSVZGFW-UHFFFAOYSA-N 0 1 402.457 3.645 20 5 HHBDMN CSc1cc2c(cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)OCCO2 ZINC000509610887 1003977602 /nfs/dbraw/zinc/97/76/02/1003977602.db2.gz MBXANKYNAAXWEW-UHFFFAOYSA-N 0 1 410.473 3.506 20 5 HHBDMN COc1cc2c(cc1OC)CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000512050539 1003982680 /nfs/dbraw/zinc/98/26/80/1003982680.db2.gz CRDBFFNLOFSLFY-UHFFFAOYSA-N 0 1 422.485 3.613 20 5 HHBDMN O=[N+]([O-])c1cc(F)c(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000509639088 1003998059 /nfs/dbraw/zinc/99/80/59/1003998059.db2.gz YFICQZXFUVUFCY-OAHLLOKOSA-N 0 1 413.306 3.889 20 5 HHBDMN CN(C(=O)CN[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000512202384 1004103853 /nfs/dbraw/zinc/10/38/53/1004103853.db2.gz JTKMTVVLYATPBN-QGZVFWFLSA-N 0 1 412.273 3.578 20 5 HHBDMN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(c4ccnc5cc(F)ccc54)CC3)nc2c1 ZINC000509905152 1004197903 /nfs/dbraw/zinc/19/79/03/1004197903.db2.gz NOIGILZMTBACKB-UHFFFAOYSA-N 0 1 406.421 3.875 20 5 HHBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCc2ccccc2C1 ZINC000512318306 1004213818 /nfs/dbraw/zinc/21/38/18/1004213818.db2.gz NFBBHJKKKMEPBT-HNNXBMFYSA-N 0 1 418.291 3.785 20 5 HHBDMN C[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C[C@H]1C ZINC000501634656 1004567754 /nfs/dbraw/zinc/56/77/54/1004567754.db2.gz ZZNLNNGNNJOFNC-HUUCEWRRSA-N 0 1 417.487 3.514 20 5 HHBDMN C[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1(S(C)(=O)=O)CC1 ZINC000512850081 1004612851 /nfs/dbraw/zinc/61/28/51/1004612851.db2.gz HWJWAQMZVAPHAA-ZDUSSCGKSA-N 0 1 408.451 3.582 20 5 HHBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccc(F)cc3)n2)c1[N+](=O)[O-] ZINC000501796659 1004739775 /nfs/dbraw/zinc/73/97/75/1004739775.db2.gz NIGAPYZKSOQNHX-CQSZACIVSA-N 0 1 414.397 3.573 20 5 HHBDMN Cc1ccc(CNCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000513131289 1004823737 /nfs/dbraw/zinc/82/37/37/1004823737.db2.gz FAECKHCJGDLYAY-INIZCTEOSA-N 0 1 417.531 3.614 20 5 HHBDMN Cc1c[nH]c(=O)n1-c1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000501974311 1004840260 /nfs/dbraw/zinc/84/02/60/1004840260.db2.gz UEKJYUWPDIYYDQ-HOTGVXAUSA-N 0 1 423.473 3.781 20 5 HHBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@@]3(Cc4ccc(C(F)(F)F)cc4)CCOC3)nc2c1 ZINC000513195904 1004855451 /nfs/dbraw/zinc/85/54/51/1004855451.db2.gz JRNWNMRSEXKADK-LJQANCHMSA-N 0 1 420.391 3.981 20 5 HHBDMN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000513232011 1004872557 /nfs/dbraw/zinc/87/25/57/1004872557.db2.gz ZJQJXEIOPXKMQH-UHFFFAOYSA-N 0 1 422.182 3.636 20 5 HHBDMN CN(C)[C@@H](CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-])c1ccco1 ZINC000502084853 1004895340 /nfs/dbraw/zinc/89/53/40/1004895340.db2.gz OWUGHNYDJNDANH-AWEZNQCLSA-N 0 1 405.252 3.635 20 5 HHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CSc2nc3n[nH]cc3c(=O)[nH]2)cc1OC ZINC000513578674 1005033471 /nfs/dbraw/zinc/03/34/71/1005033471.db2.gz DRRXVVUAJKXSLY-SNVBAGLBSA-N 0 1 419.463 3.693 20 5 HHBDMN COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)cc1[N+](=O)[O-] ZINC000511210498 1005075604 /nfs/dbraw/zinc/07/56/04/1005075604.db2.gz XIHKDQRJYXJQFM-UHFFFAOYSA-N 0 1 401.400 3.592 20 5 HHBDMN CC[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000513735471 1005102658 /nfs/dbraw/zinc/10/26/58/1005102658.db2.gz OEEHRYFSDPUVQZ-KRWDZBQOSA-N 0 1 419.428 3.763 20 5 HHBDMN Cn1ccnc1[C@@H](NCC1(c2ccccc2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000514091468 1005261273 /nfs/dbraw/zinc/26/12/73/1005261273.db2.gz YZXXXXKMSVTRSJ-NRFANRHFSA-N 0 1 406.486 3.756 20 5 HHBDMN COc1ccc(NC(=O)CCN2CC[C@](F)(c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000502939799 1005284691 /nfs/dbraw/zinc/28/46/91/1005284691.db2.gz NAAYSVDHCZMJIN-OAQYLSRUSA-N 0 1 401.438 3.811 20 5 HHBDMN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc(Br)cc2nc[nH]c21 ZINC000503103191 1005348089 /nfs/dbraw/zinc/34/80/89/1005348089.db2.gz NIMOJSUKSVDCLS-UHFFFAOYSA-N 0 1 409.627 3.817 20 5 HHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000531204557 1006045498 /nfs/dbraw/zinc/04/54/98/1006045498.db2.gz HLVWQDMWTTYYRK-HOTGVXAUSA-N 0 1 410.474 3.708 20 5 HHBDMN CC(C)n1cc([C@H](C)NCc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000514831201 1006161235 /nfs/dbraw/zinc/16/12/35/1006161235.db2.gz KWWONIJMWYCLFQ-NSHDSACASA-N 0 1 414.247 3.828 20 5 HHBDMN Cc1cc(CNCc2cc(I)cc([N+](=O)[O-])c2)ccc1F ZINC000514894052 1006192741 /nfs/dbraw/zinc/19/27/41/1006192741.db2.gz RBVLLRCXLQOQFU-UHFFFAOYSA-N 0 1 400.191 3.937 20 5 HHBDMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534245525 1006253229 /nfs/dbraw/zinc/25/32/29/1006253229.db2.gz GFTDALGLPOJBCT-UHFFFAOYSA-N 0 1 400.192 3.967 20 5 HHBDMN COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000515440248 1006462570 /nfs/dbraw/zinc/46/25/70/1006462570.db2.gz QVTYILGLVQOASB-UHFFFAOYSA-N 0 1 415.427 3.900 20 5 HHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3Cn3cnc4ccccc43)n2)cc1 ZINC000534581211 1006568725 /nfs/dbraw/zinc/56/87/25/1006568725.db2.gz BEHFFMXVWSCFMS-QGZVFWFLSA-N 0 1 404.430 3.659 20 5 HHBDMN Nc1c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc(F)cc1[N+](=O)[O-] ZINC000538645238 1006914187 /nfs/dbraw/zinc/91/41/87/1006914187.db2.gz RPZJCHZWMNDWMT-CYBMUJFWSA-N 0 1 416.457 3.502 20 5 HHBDMN COc1ccc(-c2ccc(CN3CCC[C@H]3[C@@H](O)C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000538733140 1007014882 /nfs/dbraw/zinc/01/48/82/1007014882.db2.gz UATYPKXUVIIAON-WMLDXEAASA-N 0 1 400.353 3.751 20 5 HHBDMN COc1ccc([C@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)N2CCCC2)cc1 ZINC000535275634 1007327065 /nfs/dbraw/zinc/32/70/65/1007327065.db2.gz GNEZHOJVGGNCRY-QFIPXVFZSA-N 0 1 424.501 3.508 20 5 HHBDMN C[C@@H](c1cccnc1)N1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532971156 1007338398 /nfs/dbraw/zinc/33/83/98/1007338398.db2.gz GIZGZUKPJARAGS-KRWDZBQOSA-N 0 1 407.474 3.566 20 5 HHBDMN C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1OCc1ccccc1 ZINC000539115255 1007402418 /nfs/dbraw/zinc/40/24/18/1007402418.db2.gz BEZCCGOGGOUPEM-OAHLLOKOSA-N 0 1 413.455 3.608 20 5 HHBDMN CN1CCN(Cc2ccc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)cc2)CC1 ZINC000517091979 1007403828 /nfs/dbraw/zinc/40/38/28/1007403828.db2.gz QKJDWNYSZNQYRM-UHFFFAOYSA-N 0 1 410.518 3.892 20 5 HHBDMN C[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000539224427 1007515767 /nfs/dbraw/zinc/51/57/67/1007515767.db2.gz GYVBGOOKECDPND-ZDUSSCGKSA-N 0 1 403.866 3.756 20 5 HHBDMN CCOC(=O)c1nc(C)[nH]c1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000539620827 1007936745 /nfs/dbraw/zinc/93/67/45/1007936745.db2.gz KGBOTBQKOHGERG-UHFFFAOYSA-N 0 1 423.429 3.667 20 5 HHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000533828956 1008138859 /nfs/dbraw/zinc/13/88/59/1008138859.db2.gz YSLLOQOLNUQESL-DZGCQCFKSA-N 0 1 409.450 3.512 20 5 HHBDMN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000539908160 1008177647 /nfs/dbraw/zinc/17/76/47/1008177647.db2.gz XLGIDFXLDBVRPD-UHFFFAOYSA-N 0 1 414.443 3.687 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000540143668 1008310551 /nfs/dbraw/zinc/31/05/51/1008310551.db2.gz HCHCNKYZBRNGAF-LJOBPSPCSA-N 0 1 419.428 3.894 20 5 HHBDMN Cc1ccc([C@@H](C)N[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1[N+](=O)[O-] ZINC000540219327 1008340759 /nfs/dbraw/zinc/34/07/59/1008340759.db2.gz CPPACFZCWDBXHO-HZPDHXFCSA-N 0 1 403.504 3.855 20 5 HHBDMN COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000540381860 1008408896 /nfs/dbraw/zinc/40/88/96/1008408896.db2.gz YDDZXZYTWAUGOX-QRWLVFNGSA-N 0 1 413.474 3.626 20 5 HHBDMN COc1ccc(OCCN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])c1 ZINC000542985550 1008563180 /nfs/dbraw/zinc/56/31/80/1008563180.db2.gz BTFBAPQWFXBLDO-CYBMUJFWSA-N 0 1 414.384 3.535 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000519201825 1008605897 /nfs/dbraw/zinc/60/58/97/1008605897.db2.gz JIMDFICSYRAWKV-UHFFFAOYSA-N 0 1 404.366 3.899 20 5 HHBDMN Cc1ccc(C(=O)C2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000543139983 1008712588 /nfs/dbraw/zinc/71/25/88/1008712588.db2.gz HAIZXZFTKRZLRV-LJQANCHMSA-N 0 1 412.486 3.546 20 5 HHBDMN C[C@H](C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000519680646 1008961509 /nfs/dbraw/zinc/96/15/09/1008961509.db2.gz JPHOVYGZABFFMD-JTQLQIEISA-N 0 1 416.235 3.885 20 5 HHBDMN CCc1ccc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000543402821 1008995197 /nfs/dbraw/zinc/99/51/97/1008995197.db2.gz OFWQNUDYTHZLNB-MRXNPFEDSA-N 0 1 419.363 3.814 20 5 HHBDMN Cc1nc2cccc(C(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2[nH]1 ZINC000519764516 1008995968 /nfs/dbraw/zinc/99/59/68/1008995968.db2.gz FEORKVTZABUZRJ-UHFFFAOYSA-N 0 1 407.352 3.640 20 5 HHBDMN C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000546155306 1009187236 /nfs/dbraw/zinc/18/72/36/1009187236.db2.gz SWCMUZGSVRUZAJ-NSHDSACASA-N 0 1 413.821 3.881 20 5 HHBDMN Cc1cc(C2CCN(C(=O)c3cc(Br)c(C)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000546156863 1009188872 /nfs/dbraw/zinc/18/88/72/1009188872.db2.gz CLWFHTQKSGNLTD-UHFFFAOYSA-N 0 1 407.268 3.717 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000520038192 1009197202 /nfs/dbraw/zinc/19/72/02/1009197202.db2.gz NWTSPGPZUMXNAS-SFHVURJKSA-N 0 1 406.460 3.516 20 5 HHBDMN COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3F)CCN2C2CC2)c1 ZINC000543640933 1009245309 /nfs/dbraw/zinc/24/53/09/1009245309.db2.gz ACZQHBFSLJHNOI-WOJBJXKFSA-N 0 1 414.437 3.842 20 5 HHBDMN Cc1cc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543957822 1009561042 /nfs/dbraw/zinc/56/10/42/1009561042.db2.gz NOOMNMDNPDBPRM-UHFFFAOYSA-N 0 1 408.433 3.989 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000546565042 1009587969 /nfs/dbraw/zinc/58/79/69/1009587969.db2.gz KLQNUUVWXMQQKY-UHFFFAOYSA-N 0 1 405.259 3.990 20 5 HHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000544412007 1010031069 /nfs/dbraw/zinc/03/10/69/1010031069.db2.gz LPFYUJZBVWPRHM-CQSZACIVSA-N 0 1 406.324 3.643 20 5 HHBDMN CCCc1[nH]nc(C(=O)N2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)c1[N+](=O)[O-] ZINC000521036716 1010066733 /nfs/dbraw/zinc/06/67/33/1010066733.db2.gz XBHLKDVLZOHZBR-UHFFFAOYSA-N 0 1 409.446 3.690 20 5 HHBDMN CN1CCN(c2ccccc2-c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000547134505 1010083487 /nfs/dbraw/zinc/08/34/87/1010083487.db2.gz MFTJHYHCQKTKKT-UHFFFAOYSA-N 0 1 411.487 3.689 20 5 HHBDMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000544611779 1010237624 /nfs/dbraw/zinc/23/76/24/1010237624.db2.gz XHNOSEGMGICBGM-MRXNPFEDSA-N 0 1 405.520 3.785 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)c1 ZINC000544622452 1010246212 /nfs/dbraw/zinc/24/62/12/1010246212.db2.gz AWUSVPYPEPRLNX-UHFFFAOYSA-N 0 1 400.460 3.777 20 5 HHBDMN Cc1cnc([C@@H](C)CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000544652094 1010275714 /nfs/dbraw/zinc/27/57/14/1010275714.db2.gz JJQFPVOREPUZSQ-ZETCQYMHSA-N 0 1 410.304 3.749 20 5 HHBDMN CCN([C@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000544745884 1010349674 /nfs/dbraw/zinc/34/96/74/1010349674.db2.gz IUVDRIUBMUYFCD-XLIONFOSSA-N 0 1 417.531 3.582 20 5 HHBDMN CN1CCN(c2ccccc2-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000544974044 1010530675 /nfs/dbraw/zinc/53/06/75/1010530675.db2.gz YMKPWLNQKMNRBM-UHFFFAOYSA-N 0 1 407.474 3.723 20 5 HHBDMN NC(=O)c1ccc(CN(Cc2cccs2)C2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000551424863 1010578433 /nfs/dbraw/zinc/57/84/33/1010578433.db2.gz PTXIUSCOUUBBTC-UHFFFAOYSA-N 0 1 407.495 3.925 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000521839401 1010651482 /nfs/dbraw/zinc/65/14/82/1010651482.db2.gz XWFPNOGRYZPCDK-KXBFYZLASA-N 0 1 413.474 3.848 20 5 HHBDMN Cc1nn(CCC(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)c(C)c1[N+](=O)[O-] ZINC000521968185 1010742884 /nfs/dbraw/zinc/74/28/84/1010742884.db2.gz WBHCKMJGACAIEM-UHFFFAOYSA-N 0 1 411.466 3.520 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccnc(Sc3ccccn3)c2)ccc1[N+](=O)[O-] ZINC000522360713 1010956909 /nfs/dbraw/zinc/95/69/09/1010956909.db2.gz OEUSUJOGTGHNIP-UHFFFAOYSA-N 0 1 402.457 3.645 20 5 HHBDMN COc1ccc(OC(F)F)c(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000540613123 1011265255 /nfs/dbraw/zinc/26/52/55/1011265255.db2.gz YUOFCYOKYULYOR-UHFFFAOYSA-N 0 1 418.400 3.895 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1[N+](=O)[O-] ZINC000540851719 1011517902 /nfs/dbraw/zinc/51/79/02/1011517902.db2.gz ZHJIPWUFHFZDOP-AWEZNQCLSA-N 0 1 415.498 3.627 20 5 HHBDMN CNC(=O)c1ccc(N2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000540863236 1011534298 /nfs/dbraw/zinc/53/42/98/1011534298.db2.gz MJUYUNPRVBLCKC-INIZCTEOSA-N 0 1 412.494 3.504 20 5 HHBDMN CNC(=O)c1ccc(N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c([N+](=O)[O-])c1 ZINC000540863236 1011534311 /nfs/dbraw/zinc/53/43/11/1011534311.db2.gz MJUYUNPRVBLCKC-INIZCTEOSA-N 0 1 412.494 3.504 20 5 HHBDMN CCc1nc([C@@H](C)NCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)n[nH]1 ZINC000536496283 1011704081 /nfs/dbraw/zinc/70/40/81/1011704081.db2.gz FKMZSOIPQBHWRF-CQSZACIVSA-N 0 1 411.462 3.714 20 5 HHBDMN O=C(Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000536639424 1011792763 /nfs/dbraw/zinc/79/27/63/1011792763.db2.gz IUXMYCUORYIHIG-UHFFFAOYSA-N 0 1 419.485 3.540 20 5 HHBDMN Cc1ccc([C@H](C)NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cc1[N+](=O)[O-] ZINC000551811818 1011969742 /nfs/dbraw/zinc/96/97/42/1011969742.db2.gz HCHQVFDINMQVTK-WNSKOXEYSA-N 0 1 422.485 3.979 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@@H](CC)CS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000536825988 1012054770 /nfs/dbraw/zinc/05/47/70/1012054770.db2.gz KKDFHNGENWBBRE-WBVHZDCISA-N 0 1 406.504 3.897 20 5 HHBDMN C[C@@H](N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000536873154 1012113957 /nfs/dbraw/zinc/11/39/57/1012113957.db2.gz ZYXZEQLYLULBEZ-PXAZEXFGSA-N 0 1 409.364 3.950 20 5 HHBDMN Cc1ccc2nc([C@@H]3CCCN([C@H]4CCN(c5cccc([N+](=O)[O-])c5)C4=O)C3)[nH]c2c1 ZINC000537018311 1012322445 /nfs/dbraw/zinc/32/24/45/1012322445.db2.gz RRQSMGWWUOSHLJ-IERDGZPVSA-N 0 1 419.485 3.764 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2cccc(OCC(F)(F)F)c2C)ccc1[N+](=O)[O-] ZINC000523728328 1012343722 /nfs/dbraw/zinc/34/37/22/1012343722.db2.gz PZAVNUQRFBHXHD-UHFFFAOYSA-N 0 1 404.366 3.954 20 5 HHBDMN COc1cc([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1OC(C)C ZINC000537051020 1012376666 /nfs/dbraw/zinc/37/66/66/1012376666.db2.gz HTEYBIXNSLDISR-OAHLLOKOSA-N 0 1 413.474 3.631 20 5 HHBDMN CN(CCCN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1)Cc1ccco1 ZINC000552390817 1012402534 /nfs/dbraw/zinc/40/25/34/1012402534.db2.gz UPWSYBBNCPWLKG-UHFFFAOYSA-N 0 1 410.268 3.544 20 5 HHBDMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000537074359 1012415873 /nfs/dbraw/zinc/41/58/73/1012415873.db2.gz FHEGQJNPHRFPSG-YWZLYKJASA-N 0 1 413.474 3.626 20 5 HHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000552439080 1012458309 /nfs/dbraw/zinc/45/83/09/1012458309.db2.gz WUGUPYGMMPYREC-FQEVSTJZSA-N 0 1 414.408 3.992 20 5 HHBDMN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000537108118 1012478407 /nfs/dbraw/zinc/47/84/07/1012478407.db2.gz CUJVJTQADJVUQO-JKSUJKDBSA-N 0 1 410.474 3.708 20 5 HHBDMN CCOC(=O)c1cc(S(=O)(=O)Nc2cccc(SC)c2)cc([N+](=O)[O-])c1C ZINC000523821060 1012503105 /nfs/dbraw/zinc/50/31/05/1012503105.db2.gz OPIAUUODPVASBG-UHFFFAOYSA-N 0 1 410.473 3.603 20 5 HHBDMN O=C(NCCCc1ccc(Br)cc1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000523857914 1012555088 /nfs/dbraw/zinc/55/50/88/1012555088.db2.gz HLJRPZLZHNEARW-UHFFFAOYSA-N 0 1 421.226 3.735 20 5 HHBDMN Cc1ccc([C@@H](C)NCC(=O)NCc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000537176599 1012584617 /nfs/dbraw/zinc/58/46/17/1012584617.db2.gz PGMMPCOYBYKKDR-CYBMUJFWSA-N 0 1 411.380 3.769 20 5 HHBDMN Cc1[nH]ncc1C1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000552758217 1012766554 /nfs/dbraw/zinc/76/65/54/1012766554.db2.gz ZQKGZOKQZWNGOJ-UHFFFAOYSA-N 0 1 407.268 3.717 20 5 HHBDMN Cc1cc2cc(NS(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000760337042 1072254881 /nfs/dbraw/zinc/25/48/81/1072254881.db2.gz FHOYDFMETPAGFK-UHFFFAOYSA-N 0 1 410.249 3.948 20 5 HHBDMN CO[C@H](C)c1cccc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000760354606 1072273226 /nfs/dbraw/zinc/27/32/26/1072273226.db2.gz APPPIBJTEOUOHX-SNVBAGLBSA-N 0 1 415.265 3.866 20 5 HHBDMN Cc1cc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cnc1Cl ZINC000760364564 1072293268 /nfs/dbraw/zinc/29/32/68/1072293268.db2.gz GHNZFWWOTMWJCO-UHFFFAOYSA-N 0 1 406.645 3.515 20 5 HHBDMN C[C@H]1CN(Cc2ccc(CNc3ncnc4sc([N+](=O)[O-])cc43)cc2)C[C@H](C)O1 ZINC000571113434 1072565901 /nfs/dbraw/zinc/56/59/01/1072565901.db2.gz MGJFMSKYJNWHNB-KBPBESRZSA-N 0 1 413.503 3.821 20 5 HHBDMN CCN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000571227941 1072587868 /nfs/dbraw/zinc/58/78/68/1072587868.db2.gz JLVBGZMGEKIFLW-OXJNMPFZSA-N 0 1 419.407 3.814 20 5 HHBDMN O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCc2nc[nH]c2C1 ZINC000590377812 1073777511 /nfs/dbraw/zinc/77/75/11/1073777511.db2.gz YIKDZCDLUQUGOK-UHFFFAOYSA-N 0 1 411.849 3.782 20 5 HHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000590425015 1073803943 /nfs/dbraw/zinc/80/39/43/1073803943.db2.gz XKIPTGHLOVSNHU-UHFFFAOYSA-N 0 1 404.348 3.805 20 5 HHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000555850803 1073903105 /nfs/dbraw/zinc/90/31/05/1073903105.db2.gz QJDFDHRJZGRYRK-UHFFFAOYSA-N 0 1 410.312 3.756 20 5 HHBDMN O=C1[C@H](N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCN1Cc1ccccc1 ZINC000760842378 1074407300 /nfs/dbraw/zinc/40/73/00/1074407300.db2.gz XHLVQJLAADKMLL-JOCHJYFZSA-N 0 1 409.486 3.629 20 5 HHBDMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000760886691 1074514631 /nfs/dbraw/zinc/51/46/31/1074514631.db2.gz OVXRGOQKTOWBEV-HUUCEWRRSA-N 0 1 416.478 3.985 20 5 HHBDMN CCn1c(=O)[nH]nc1S[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000592994227 1075155512 /nfs/dbraw/zinc/15/55/12/1075155512.db2.gz XGLPAXCZDNWGBT-INIZCTEOSA-N 0 1 413.459 3.692 20 5 HHBDMN O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164903705 721584876 /nfs/dbraw/zinc/58/48/76/721584876.db2.gz BTLAVZTWLMNIFF-GOSISDBHSA-N 0 1 423.851 3.776 20 5 HHBDMN Cc1c(C)c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164908776 721709529 /nfs/dbraw/zinc/70/95/29/721709529.db2.gz ZBEJPTXGLLWTDQ-HXUWFJFHSA-N 0 1 417.460 3.739 20 5 HHBDMN Cc1ccc(CN2CCOC3(CCN(c4cc([N+](=O)[O-])cc(Cl)n4)CC3)C2)cc1 ZINC001164939259 721920144 /nfs/dbraw/zinc/92/01/44/721920144.db2.gz TXORRCFIUXRRIN-UHFFFAOYSA-N 0 1 416.909 3.823 20 5 HHBDMN C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301585506 970990657 /nfs/dbraw/zinc/99/06/57/970990657.db2.gz ORWHZGQKMSDULU-IAGOWNOFSA-N 0 1 418.519 3.680 20 5 HHBDMN O=[N+]([O-])c1cnc2ccc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nn21 ZINC000301829843 971078923 /nfs/dbraw/zinc/07/89/23/971078923.db2.gz HCHRVJPPPDXSLY-UHFFFAOYSA-N 0 1 414.469 3.549 20 5 HHBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301898848 971105094 /nfs/dbraw/zinc/10/50/94/971105094.db2.gz XGNZYCDDRDPKII-ORAYPTAESA-N 0 1 420.872 3.852 20 5 HHBDMN Cc1cc(N2CCCN(C(=O)c3ccccc3F)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302200593 971205857 /nfs/dbraw/zinc/20/58/57/971205857.db2.gz UZPYZRDLNDWFSA-UHFFFAOYSA-N 0 1 408.433 3.943 20 5 HHBDMN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000537549797 1013070470 /nfs/dbraw/zinc/07/04/70/1013070470.db2.gz FGJMSVALYUKFFY-MRXNPFEDSA-N 0 1 413.478 3.546 20 5 HHBDMN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000537556684 1013082298 /nfs/dbraw/zinc/08/22/98/1013082298.db2.gz YWDWKHZAQXDRIR-UHFFFAOYSA-N 0 1 402.414 3.974 20 5 HHBDMN C[C@H]1CC[C@H](NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000303394659 971679553 /nfs/dbraw/zinc/67/95/53/971679553.db2.gz PIWNOINWCINNEJ-KOMQPUFPSA-N 0 1 417.487 3.704 20 5 HHBDMN C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)N(C)Cc1ccccc1 ZINC000303530650 971831420 /nfs/dbraw/zinc/83/14/20/971831420.db2.gz WOKWFKGGVKJZND-IBGZPJMESA-N 0 1 413.521 3.791 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)c1C ZINC000303610424 971897365 /nfs/dbraw/zinc/89/73/65/971897365.db2.gz BLTFAFXXOQEIIB-KRWDZBQOSA-N 0 1 417.531 3.716 20 5 HHBDMN Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1 ZINC000005867664 960794279 /nfs/dbraw/zinc/79/42/79/960794279.db2.gz RNZCRGJZZFWMMC-LLVKDONJSA-N 0 1 401.423 3.947 20 5 HHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000537653882 1013214968 /nfs/dbraw/zinc/21/49/68/1013214968.db2.gz GIQFUWZLHUTZGX-UHFFFAOYSA-N 0 1 404.366 3.869 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000537654731 1013215992 /nfs/dbraw/zinc/21/59/92/1013215992.db2.gz SCPUBXQPXBZJCZ-UHFFFAOYSA-N 0 1 414.281 3.533 20 5 HHBDMN CCCCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000010124125 961746777 /nfs/dbraw/zinc/74/67/77/961746777.db2.gz AEINXOHKIQZIIX-UHFFFAOYSA-N 0 1 419.503 3.966 20 5 HHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000542365314 1013321139 /nfs/dbraw/zinc/32/11/39/1013321139.db2.gz JVGWJLOEHJDQHR-UHFFFAOYSA-N 0 1 421.841 3.581 20 5 HHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000542365314 1013321142 /nfs/dbraw/zinc/32/11/42/1013321142.db2.gz JVGWJLOEHJDQHR-UHFFFAOYSA-N 0 1 421.841 3.581 20 5 HHBDMN CC(C)(C)c1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000012255091 962259830 /nfs/dbraw/zinc/25/98/30/962259830.db2.gz WWRDSIKQGYDTNC-UHFFFAOYSA-N 0 1 403.386 3.760 20 5 HHBDMN CN1CC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000542381951 1013336044 /nfs/dbraw/zinc/33/60/44/1013336044.db2.gz SXPQQCYCCOOGAF-HNAYVOBHSA-N 0 1 405.907 3.902 20 5 HHBDMN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Br)cc2Cl)ccc1F ZINC000016130100 962954647 /nfs/dbraw/zinc/95/46/47/962954647.db2.gz IWODKOAHXIBAGR-UHFFFAOYSA-N 0 1 409.620 3.951 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1[N+](=O)[O-] ZINC000016127306 962955341 /nfs/dbraw/zinc/95/53/41/962955341.db2.gz LKQZSIFHOJBHJJ-UHFFFAOYSA-N 0 1 403.382 3.789 20 5 HHBDMN Cc1sc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000542479018 1013426998 /nfs/dbraw/zinc/42/69/98/1013426998.db2.gz MRTMEVQZAGJGCX-CYBMUJFWSA-N 0 1 411.365 3.621 20 5 HHBDMN Cc1[nH]c(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)nc1Cc1ccccc1 ZINC000022253069 963618342 /nfs/dbraw/zinc/61/83/42/963618342.db2.gz UCKVNHJPDOEJRG-UHFFFAOYSA-N 0 1 408.483 3.899 20 5 HHBDMN O=C(COc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000023388870 963815512 /nfs/dbraw/zinc/81/55/12/963815512.db2.gz GEXGVSFKUIDUEP-JOCHJYFZSA-N 0 1 402.410 3.756 20 5 HHBDMN COc1ccccc1[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000049790201 964213836 /nfs/dbraw/zinc/21/38/36/964213836.db2.gz RQHMACSNVFGLPN-HXUWFJFHSA-N 0 1 412.490 3.582 20 5 HHBDMN COc1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000052829910 964996656 /nfs/dbraw/zinc/99/66/56/964996656.db2.gz AROPYQSZEYTQCJ-CQSZACIVSA-N 0 1 404.854 3.503 20 5 HHBDMN CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000537972929 1013549370 /nfs/dbraw/zinc/54/93/70/1013549370.db2.gz JGBQHRMENRPXQS-MRXNPFEDSA-N 0 1 405.520 3.785 20 5 HHBDMN COc1cc([C@@H]2N(C)c3ccccc3C(=O)N2Cc2ccco2)cc([N+](=O)[O-])c1O ZINC000028923873 965217346 /nfs/dbraw/zinc/21/73/46/965217346.db2.gz RVZRRYFWQYWSDR-HXUWFJFHSA-N 0 1 409.398 3.693 20 5 HHBDMN CNC(=O)c1ccc(NC[C@@H](c2ccccc2OC)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000053574742 965220483 /nfs/dbraw/zinc/22/04/83/965220483.db2.gz OGAAKYNCRDEEOQ-FQEVSTJZSA-N 0 1 412.490 3.602 20 5 HHBDMN CC[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537986440 1013561318 /nfs/dbraw/zinc/56/13/18/1013561318.db2.gz HVWCXVLWNFWMOW-FQEVSTJZSA-N 0 1 403.504 3.620 20 5 HHBDMN COc1ccc(Oc2cc(CNC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)ccn2)cc1 ZINC000054030582 965359630 /nfs/dbraw/zinc/35/96/30/965359630.db2.gz SYPIHROYFJUFOQ-UHFFFAOYSA-N 0 1 419.397 3.597 20 5 HHBDMN CCC[C@@H](C)N(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000029447718 965383219 /nfs/dbraw/zinc/38/32/19/965383219.db2.gz ODORFGQDCWDPDZ-OAHLLOKOSA-N 0 1 419.503 3.965 20 5 HHBDMN Cc1ccc(-c2noc(CCCN3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1 ZINC000029585834 965422490 /nfs/dbraw/zinc/42/24/90/965422490.db2.gz IFZQQZQOMHIWCU-UHFFFAOYSA-N 0 1 407.474 3.708 20 5 HHBDMN Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000054674645 965604703 /nfs/dbraw/zinc/60/47/03/965604703.db2.gz HUUPOICWZUGVNM-SFHVURJKSA-N 0 1 404.430 3.725 20 5 HHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000055086026 965750316 /nfs/dbraw/zinc/75/03/16/965750316.db2.gz DXIASUFQNVJLRG-LJQANCHMSA-N 0 1 400.479 3.945 20 5 HHBDMN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000055648185 965992195 /nfs/dbraw/zinc/99/21/95/965992195.db2.gz JWEJBRIMDIWCHG-UHFFFAOYSA-N 0 1 405.476 3.622 20 5 HHBDMN C[C@@H](N(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(C)(C)C ZINC000031408332 966006875 /nfs/dbraw/zinc/00/68/75/966006875.db2.gz YDWWULSZPTYWID-CQSZACIVSA-N 0 1 419.503 3.902 20 5 HHBDMN O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(CN2CCSCC2)c1 ZINC000060278668 966084068 /nfs/dbraw/zinc/08/40/68/966084068.db2.gz AZLYWIFAYVTTQV-UHFFFAOYSA-N 0 1 421.906 3.815 20 5 HHBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000542712243 1013625352 /nfs/dbraw/zinc/62/53/52/1013625352.db2.gz HJWZMLNONRHFEJ-UHFFFAOYSA-N 0 1 417.441 3.528 20 5 HHBDMN O=C(c1ccc(Cl)cc1)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000060482645 966165665 /nfs/dbraw/zinc/16/56/65/966165665.db2.gz LZUNCLJPXLRXKB-LJQANCHMSA-N 0 1 418.877 3.583 20 5 HHBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(CC2CCCCC2)CC1 ZINC000060579213 966213597 /nfs/dbraw/zinc/21/35/97/966213597.db2.gz LOMCWJMZXOLBEI-UHFFFAOYSA-N 0 1 417.553 3.879 20 5 HHBDMN C[C@@H](N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056159850 966239833 /nfs/dbraw/zinc/23/98/33/966239833.db2.gz ABGAGAGXDRDIFF-ZIAGYGMSSA-N 0 1 411.462 3.557 20 5 HHBDMN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196041 966254984 /nfs/dbraw/zinc/25/49/84/966254984.db2.gz VXXOEKPKMCNIOE-ILXRZTDVSA-N 0 1 401.463 3.529 20 5 HHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)c1 ZINC000542729111 1013641157 /nfs/dbraw/zinc/64/11/57/1013641157.db2.gz OSBBXKZXGCVRSK-KRWDZBQOSA-N 0 1 416.459 3.740 20 5 HHBDMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000061015389 966350667 /nfs/dbraw/zinc/35/06/67/966350667.db2.gz KLUGVXSKSWIOOQ-INIZCTEOSA-N 0 1 405.520 3.785 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000041781655 966631563 /nfs/dbraw/zinc/63/15/63/966631563.db2.gz YXGRXHSZOKKDKL-HNNXBMFYSA-N 0 1 417.487 3.719 20 5 HHBDMN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000063181066 966769158 /nfs/dbraw/zinc/76/91/58/966769158.db2.gz FODNNJOMZMGPPO-UHFFFAOYSA-N 0 1 420.365 3.822 20 5 HHBDMN CN1CCN(C[C@H](Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)CC1 ZINC000542774227 1013676116 /nfs/dbraw/zinc/67/61/16/1013676116.db2.gz UXNRKRFACKFWAM-IBGZPJMESA-N 0 1 419.323 3.758 20 5 HHBDMN COc1ccc(CN[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000542775336 1013676952 /nfs/dbraw/zinc/67/69/52/1013676952.db2.gz WEXRODSNNXPAMG-OAHLLOKOSA-N 0 1 410.257 3.805 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000043149384 966918736 /nfs/dbraw/zinc/91/87/36/966918736.db2.gz IQRHZNIBHKFVTC-IAGOWNOFSA-N 0 1 412.490 3.834 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000538130637 1013692422 /nfs/dbraw/zinc/69/24/22/1013692422.db2.gz GLCKBYOOEVYYSH-HNNXBMFYSA-N 0 1 419.503 3.779 20 5 HHBDMN C[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000064419820 967179751 /nfs/dbraw/zinc/17/97/51/967179751.db2.gz BHOAXIPQQHNIOQ-HUUCEWRRSA-N 0 1 417.893 3.579 20 5 HHBDMN CN1CCN(c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)c(C(F)(F)F)c2)CC1 ZINC000044796910 967292316 /nfs/dbraw/zinc/29/23/16/967292316.db2.gz QEGVQRDHJXNNDA-UHFFFAOYSA-N 0 1 414.409 3.679 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000538153137 1013713653 /nfs/dbraw/zinc/71/36/53/1013713653.db2.gz MZJXAZFEHIXWPB-AWEZNQCLSA-N 0 1 417.462 3.689 20 5 HHBDMN CN(C)[C@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(F)c1 ZINC000065087032 967371304 /nfs/dbraw/zinc/37/13/04/967371304.db2.gz BEUWTABLEMPVNK-GOSISDBHSA-N 0 1 414.462 3.890 20 5 HHBDMN CC(C)(C)CCN1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000065113806 967382978 /nfs/dbraw/zinc/38/29/78/967382978.db2.gz MNIGPFUYIYKDHF-UHFFFAOYSA-N 0 1 402.520 3.912 20 5 HHBDMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000045942338 967603107 /nfs/dbraw/zinc/60/31/07/967603107.db2.gz BMNIVOCUJKGZHJ-UHFFFAOYSA-N 0 1 402.476 3.723 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000046624167 967889088 /nfs/dbraw/zinc/88/90/88/967889088.db2.gz JPCIACYNBHYFKJ-HUUCEWRRSA-N 0 1 417.893 3.787 20 5 HHBDMN COc1ccc(CN2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000047891948 968353392 /nfs/dbraw/zinc/35/33/92/968353392.db2.gz BWFLMPJCOGZYOK-UHFFFAOYSA-N 0 1 415.465 3.579 20 5 HHBDMN CN(C)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(F)cc1 ZINC000048095608 968421414 /nfs/dbraw/zinc/42/14/14/968421414.db2.gz VHEREIPSZANULU-OAHLLOKOSA-N 0 1 412.368 3.760 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000538284277 1013821290 /nfs/dbraw/zinc/82/12/90/1013821290.db2.gz UGAYEDHLXKCBGS-ZDUSSCGKSA-N 0 1 400.815 3.580 20 5 HHBDMN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000071892201 968882570 /nfs/dbraw/zinc/88/25/70/968882570.db2.gz QWPQHRWUIPFMLJ-IBGZPJMESA-N 0 1 403.866 3.580 20 5 HHBDMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000071892045 968882945 /nfs/dbraw/zinc/88/29/45/968882945.db2.gz UZYKDEJBVKLQEB-SFHVURJKSA-N 0 1 413.865 3.691 20 5 HHBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1N1CCN(C)CC1 ZINC000072062855 968966928 /nfs/dbraw/zinc/96/69/28/968966928.db2.gz HRCBSSCODBYCQR-ZDUSSCGKSA-N 0 1 420.872 3.630 20 5 HHBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1N1CCN(C)CC1 ZINC000072062856 968967119 /nfs/dbraw/zinc/96/71/19/968967119.db2.gz HRCBSSCODBYCQR-CYBMUJFWSA-N 0 1 420.872 3.630 20 5 HHBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc(-c2cccs2)n[nH]1 ZINC000117427062 969951512 /nfs/dbraw/zinc/95/15/12/969951512.db2.gz VMHUHADVIYJZEU-UHFFFAOYSA-N 0 1 401.451 3.640 20 5 HHBDMN CC(C)C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCOCC1 ZINC000236638896 970150076 /nfs/dbraw/zinc/15/00/76/970150076.db2.gz 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O=C([O-])[C@@H](CN1CCCc2ccccc21)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426750691 974635037 /nfs/dbraw/zinc/63/50/37/974635037.db2.gz PNYQTGDLLFDBDE-LJQANCHMSA-N 0 1 421.453 3.850 20 5 HHBDMN O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000426973393 974790478 /nfs/dbraw/zinc/79/04/78/974790478.db2.gz JZBTUVSOMYAOHC-UHFFFAOYSA-N 0 1 415.409 3.860 20 5 HHBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)n1 ZINC000427814862 975304952 /nfs/dbraw/zinc/30/49/52/975304952.db2.gz XKZPCQJAYRKSCC-UHFFFAOYSA-N 0 1 403.402 3.516 20 5 HHBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1nc2cc(Cl)ccc2n1C ZINC000427878139 975331032 /nfs/dbraw/zinc/33/10/32/975331032.db2.gz VCYKHNGVABKNHJ-GFCCVEGCSA-N 0 1 401.854 3.642 20 5 HHBDMN Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428308006 975616710 /nfs/dbraw/zinc/61/67/10/975616710.db2.gz XKFUKSOYQVONFJ-UHFFFAOYSA-N 0 1 406.320 3.972 20 5 HHBDMN CN(c1ccccc1)c1ccc(CN2CCC(Cn3cncn3)CC2)cc1[N+](=O)[O-] ZINC000428487851 975787452 /nfs/dbraw/zinc/78/74/52/975787452.db2.gz WWJJUSFFAOUNMP-UHFFFAOYSA-N 0 1 406.490 3.866 20 5 HHBDMN O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CSCCN3Cc3ccccc3)cc2N1 ZINC000428659758 975958609 /nfs/dbraw/zinc/95/86/09/975958609.db2.gz JFOYITYESIUKAD-KRWDZBQOSA-N 0 1 412.515 3.509 20 5 HHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(c2ncccc2Cl)CC1 ZINC000429212474 976506796 /nfs/dbraw/zinc/50/67/96/976506796.db2.gz PXSXPSOTFMOJSX-UHFFFAOYSA-N 0 1 416.865 3.821 20 5 HHBDMN CC(C)(NC[C@H](O)COc1ccc(Br)cc1)c1ccccc1[N+](=O)[O-] ZINC000429246011 976535433 /nfs/dbraw/zinc/53/54/33/976535433.db2.gz MIKFZGNIHKBDEM-AWEZNQCLSA-N 0 1 409.280 3.622 20 5 HHBDMN CCc1cc(NC2CCN(Cc3cccnc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429321045 976589393 /nfs/dbraw/zinc/58/93/93/976589393.db2.gz WUZWFADNTDAEFZ-UHFFFAOYSA-N 0 1 418.501 3.508 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000430206183 977391189 /nfs/dbraw/zinc/39/11/89/977391189.db2.gz KDWWWXHGLMRAPP-MRXNPFEDSA-N 0 1 407.352 3.620 20 5 HHBDMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430228444 977404551 /nfs/dbraw/zinc/40/45/51/977404551.db2.gz UZMYSZYXAQRDRM-OAHLLOKOSA-N 0 1 417.428 3.616 20 5 HHBDMN CCN(CC)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000431033800 977967998 /nfs/dbraw/zinc/96/79/98/977967998.db2.gz KSUTWMBVKRZOSA-HNNXBMFYSA-N 0 1 410.268 3.763 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000432490404 978845203 /nfs/dbraw/zinc/84/52/03/978845203.db2.gz CJKFBPATJUPDBU-UHFFFAOYSA-N 0 1 400.416 3.631 20 5 HHBDMN CN(CCSc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000432919987 979011947 /nfs/dbraw/zinc/01/19/47/979011947.db2.gz WNLJZSLFTRFXOO-UHFFFAOYSA-N 0 1 410.499 3.783 20 5 HHBDMN COc1cc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1Cl ZINC000432952967 979021761 /nfs/dbraw/zinc/02/17/61/979021761.db2.gz CEGCRTPQSWWAMA-UHFFFAOYSA-N 0 1 407.835 3.914 20 5 HHBDMN CCC(=O)c1cccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000433605010 979420218 /nfs/dbraw/zinc/42/02/18/979420218.db2.gz RPCCWECSHIJLKK-UHFFFAOYSA-N 0 1 413.249 3.751 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cnccn2)c1[N+](=O)[O-] ZINC000434026553 979768185 /nfs/dbraw/zinc/76/81/85/979768185.db2.gz TXQQTOCQANFTQX-QGZVFWFLSA-N 0 1 414.853 3.746 20 5 HHBDMN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cnn1C1CCCC1 ZINC000435732178 981007481 /nfs/dbraw/zinc/00/74/81/981007481.db2.gz OSBLPPWJYSLNGR-UHFFFAOYSA-N 0 1 401.448 3.564 20 5 HHBDMN CC(C)(CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCCCC1 ZINC000435812789 981041347 /nfs/dbraw/zinc/04/13/47/981041347.db2.gz AAFVPFHWHFEJBD-UHFFFAOYSA-N 0 1 413.468 3.954 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 ZINC000435815249 981042787 /nfs/dbraw/zinc/04/27/87/981042787.db2.gz BIINYWQKDIBMCF-FQEVSTJZSA-N 0 1 403.457 3.853 20 5 HHBDMN C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCCC[C@@H]1C ZINC000436096175 981197915 /nfs/dbraw/zinc/19/79/15/981197915.db2.gz FAQLULQELJFVDB-KBPBESRZSA-N 0 1 413.468 3.952 20 5 HHBDMN C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[C@H](C)C1 ZINC000436103157 981201592 /nfs/dbraw/zinc/20/15/92/981201592.db2.gz UAVWWJZQHGLZNI-KBPBESRZSA-N 0 1 413.468 3.810 20 5 HHBDMN O=C(NCC1(N2CCSCC2)CCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436107108 981203866 /nfs/dbraw/zinc/20/38/66/981203866.db2.gz URHHXJOJSDZKLW-UHFFFAOYSA-N 0 1 421.566 3.773 20 5 HHBDMN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436134156 981214139 /nfs/dbraw/zinc/21/41/39/981214139.db2.gz PHKQADULJOMKBP-KGLIPLIRSA-N 0 1 413.468 3.810 20 5 HHBDMN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436134155 981214180 /nfs/dbraw/zinc/21/41/80/981214180.db2.gz PHKQADULJOMKBP-KBPBESRZSA-N 0 1 413.468 3.810 20 5 HHBDMN C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC(C)CC1 ZINC000436313196 981293308 /nfs/dbraw/zinc/29/33/08/981293308.db2.gz CAEYBQJIFYWXGP-AWEZNQCLSA-N 0 1 413.468 3.810 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2cc(Cl)cc(C(F)(F)F)c2)cc1 ZINC000436402144 981349875 /nfs/dbraw/zinc/34/98/75/981349875.db2.gz UJABARQMFFFKDQ-UHFFFAOYSA-N 0 1 422.812 3.831 20 5 HHBDMN COc1cc(CCNC(=O)c2c(O)cc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC ZINC000436758880 981549167 /nfs/dbraw/zinc/54/91/67/981549167.db2.gz YSSXFUYMPYOCMO-UHFFFAOYSA-N 0 1 415.229 3.597 20 5 HHBDMN O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436776674 981556567 /nfs/dbraw/zinc/55/65/67/981556567.db2.gz WFFQWGFCGYZUDD-UHFFFAOYSA-N 0 1 423.391 3.714 20 5 HHBDMN O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436957355 981646396 /nfs/dbraw/zinc/64/63/96/981646396.db2.gz UQAPQWNGWIBFCB-LJQANCHMSA-N 0 1 423.494 3.891 20 5 HHBDMN O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436957355 981646402 /nfs/dbraw/zinc/64/64/02/981646402.db2.gz UQAPQWNGWIBFCB-LJQANCHMSA-N 0 1 423.494 3.891 20 5 HHBDMN Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436975061 981660247 /nfs/dbraw/zinc/66/02/47/981660247.db2.gz GHFNHRGZERKYOL-GOSISDBHSA-N 0 1 421.457 3.505 20 5 HHBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438626718 982946994 /nfs/dbraw/zinc/94/69/94/982946994.db2.gz PJCAJLVGAOPBHV-OAHLLOKOSA-N 0 1 407.220 3.659 20 5 HHBDMN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000439014664 983210993 /nfs/dbraw/zinc/21/09/93/983210993.db2.gz ITNVLQZZHAQONU-AXUOBQJMSA-N 0 1 400.479 3.796 20 5 HHBDMN NC(=O)c1cccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000439128665 983264206 /nfs/dbraw/zinc/26/42/06/983264206.db2.gz OOOMWXOTKAMSJJ-UHFFFAOYSA-N 0 1 416.481 3.605 20 5 HHBDMN CC[C@@](C)(O)CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000439275558 983341901 /nfs/dbraw/zinc/34/19/01/983341901.db2.gz LLUGIEBZDHEHQJ-HXUWFJFHSA-N 0 1 405.882 3.850 20 5 HHBDMN CCOc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1F ZINC000462275041 985264986 /nfs/dbraw/zinc/26/49/86/985264986.db2.gz VVFWMJAYFNADHM-UHFFFAOYSA-N 0 1 423.249 3.918 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000462311769 985298441 /nfs/dbraw/zinc/29/84/41/985298441.db2.gz GGJQWDUJLQOVGB-DNVCBOLYSA-N 0 1 423.560 3.580 20 5 HHBDMN CCOCc1ccccc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462434187 985402868 /nfs/dbraw/zinc/40/28/68/985402868.db2.gz ATRPVHSWDMXIHO-UHFFFAOYSA-N 0 1 419.286 3.917 20 5 HHBDMN Cc1c(NC(=O)CCN2CCN([C@H](C)c3ccsc3)CC2)cccc1[N+](=O)[O-] ZINC000462462595 985422458 /nfs/dbraw/zinc/42/24/58/985422458.db2.gz IAZXZJQCYNMPRJ-MRXNPFEDSA-N 0 1 402.520 3.672 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000462496926 985449811 /nfs/dbraw/zinc/44/98/11/985449811.db2.gz XCSCLBRXXKIMFM-FZMZJTMJSA-N 0 1 401.271 3.811 20 5 HHBDMN COc1ccc([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462536012 985483727 /nfs/dbraw/zinc/48/37/27/985483727.db2.gz KBFSKAXPHPHYHX-VIFPVBQESA-N 0 1 405.259 3.950 20 5 HHBDMN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Br)s1 ZINC000443338690 985504597 /nfs/dbraw/zinc/50/45/97/985504597.db2.gz XUQNCEHUIBPAGO-SNVBAGLBSA-N 0 1 410.293 3.659 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000443487412 985662180 /nfs/dbraw/zinc/66/21/80/985662180.db2.gz JYRYVLGISRLGOD-QMTHXVAHSA-N 0 1 411.307 3.511 20 5 HHBDMN COc1ccc(NC(=O)C[C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000468038443 985694650 /nfs/dbraw/zinc/69/46/50/985694650.db2.gz NPLHSGTZODZANY-GFCCVEGCSA-N 0 1 407.854 3.772 20 5 HHBDMN CCC[C@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000462846706 985770548 /nfs/dbraw/zinc/77/05/48/985770548.db2.gz VVVAZYMBGVZXHN-FQEVSTJZSA-N 0 1 403.504 3.766 20 5 HHBDMN O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000443780191 985985757 /nfs/dbraw/zinc/98/57/57/985985757.db2.gz HZYSJITZCPFRFU-QGZVFWFLSA-N 0 1 420.878 3.791 20 5 HHBDMN CN(CC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000463103787 986064142 /nfs/dbraw/zinc/06/41/42/986064142.db2.gz XPPXBUFJVSLOBI-HXUWFJFHSA-N 0 1 416.909 3.638 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000468498693 986200034 /nfs/dbraw/zinc/20/00/34/986200034.db2.gz QDWUATNQVRGQRS-MRXNPFEDSA-N 0 1 407.352 3.620 20 5 HHBDMN CC[C@@H]1CCCCN1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444023098 986215499 /nfs/dbraw/zinc/21/54/99/986215499.db2.gz NBVVIPVYLMJANY-OAHLLOKOSA-N 0 1 413.468 3.954 20 5 HHBDMN Cc1ccc(S(=O)(=O)[N-]c2cccc(C[NH+]3CCSCC3)c2C)c([N+](=O)[O-])c1 ZINC000444027957 986222419 /nfs/dbraw/zinc/22/24/19/986222419.db2.gz FSSARHLCLRZTTE-UHFFFAOYSA-N 0 1 421.544 3.561 20 5 HHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000468641067 986356577 /nfs/dbraw/zinc/35/65/77/986356577.db2.gz CLAANNGWDKPKPD-VBKFSLOCSA-N 0 1 417.531 3.865 20 5 HHBDMN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000444262556 986460095 /nfs/dbraw/zinc/46/00/95/986460095.db2.gz VKTMQKWKTNSBCB-UHFFFAOYSA-N 0 1 418.841 3.636 20 5 HHBDMN CC(C)c1nc([C@H](C)NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)n[nH]1 ZINC000444293906 986479815 /nfs/dbraw/zinc/47/98/15/986479815.db2.gz PJBAMMXZVOWLSD-JTQLQIEISA-N 0 1 411.412 3.692 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC000444342899 986522337 /nfs/dbraw/zinc/52/23/37/986522337.db2.gz NEMIKBHIJXFXNN-OAHLLOKOSA-N 0 1 410.434 3.688 20 5 HHBDMN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000444632440 986818980 /nfs/dbraw/zinc/81/89/80/986818980.db2.gz FZMORVACWXXDRO-UHFFFAOYSA-N 0 1 402.823 3.506 20 5 HHBDMN COc1c(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000469824659 987461491 /nfs/dbraw/zinc/46/14/91/987461491.db2.gz JWCQOHQADRTSFS-UHFFFAOYSA-N 0 1 403.866 3.651 20 5 HHBDMN CC(C)[C@@H](CC(F)(F)F)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000445706071 987772051 /nfs/dbraw/zinc/77/20/51/987772051.db2.gz ZTWYWHKAGCSABJ-SECBINFHSA-N 0 1 419.219 3.613 20 5 HHBDMN CN(C)[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000470084785 987985402 /nfs/dbraw/zinc/98/54/02/987985402.db2.gz ZUUCQVCHUAEHML-SFHVURJKSA-N 0 1 424.423 3.758 20 5 HHBDMN C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@@H](c1ccccc1)N(C)C ZINC000471540771 989739875 /nfs/dbraw/zinc/73/98/75/989739875.db2.gz VASHYWCAWJKHMI-BVZFJXPGSA-N 0 1 413.521 3.962 20 5 HHBDMN CN(C)[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccsc1 ZINC000465520437 989872448 /nfs/dbraw/zinc/87/24/48/989872448.db2.gz HLFGEAXUTSIWMS-IBGZPJMESA-N 0 1 418.519 3.512 20 5 HHBDMN CCc1ccc(-c2noc([C@H](C)NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])n2)cc1 ZINC000471873710 990045329 /nfs/dbraw/zinc/04/53/29/990045329.db2.gz ZXTSHOSSXSTZCI-ZDUSSCGKSA-N 0 1 416.459 3.555 20 5 HHBDMN C[C@H](NCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000466408905 991702831 /nfs/dbraw/zinc/70/28/31/991702831.db2.gz URDSUGWZJJVXJY-KRWDZBQOSA-N 0 1 419.485 3.548 20 5 HHBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)CCC1CCOCC1 ZINC000466462141 991753196 /nfs/dbraw/zinc/75/31/96/991753196.db2.gz CUHYSIVCYHREKH-AWEZNQCLSA-N 0 1 418.519 3.794 20 5 HHBDMN COc1ccc(CN2CCCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2=O)cc1 ZINC000466464435 991754956 /nfs/dbraw/zinc/75/49/56/991754956.db2.gz JQOWEDBJWTYYGP-UHFFFAOYSA-N 0 1 420.469 3.699 20 5 HHBDMN Cc1sc(S(=O)(=O)Nc2ccnc(Sc3ccccn3)c2)cc1[N+](=O)[O-] ZINC000466966350 992277350 /nfs/dbraw/zinc/27/73/50/992277350.db2.gz SMGRRQBLTFCENQ-UHFFFAOYSA-N 0 1 408.486 3.707 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3[C@H](C)CC[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000467498880 992783576 /nfs/dbraw/zinc/78/35/76/992783576.db2.gz NEZLPXBPDLLPEI-GASCZTMLSA-N 0 1 417.487 3.717 20 5 HHBDMN Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000480732861 993598422 /nfs/dbraw/zinc/59/84/22/993598422.db2.gz SMVSXUPZRYJPOH-HKUYNNGSSA-N 0 1 417.531 3.543 20 5 HHBDMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000480742699 993609592 /nfs/dbraw/zinc/60/95/92/993609592.db2.gz XDPXCRQOQZPZIC-HKUYNNGSSA-N 0 1 415.515 3.517 20 5 HHBDMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000480758051 993624110 /nfs/dbraw/zinc/62/41/10/993624110.db2.gz SACVHTFXPRQUCH-HKUYNNGSSA-N 0 1 415.515 3.517 20 5 HHBDMN COc1ccc(NC(=O)CN[C@@H](C)[C@@H](OC)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000481387824 994218650 /nfs/dbraw/zinc/21/86/50/994218650.db2.gz CMOMNSXMWJUGMC-HXPMCKFVSA-N 0 1 407.854 3.561 20 5 HHBDMN Cc1ccc([C@H](C)NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000481571089 994407526 /nfs/dbraw/zinc/40/75/26/994407526.db2.gz LKPHQZJGFYDHJD-INIZCTEOSA-N 0 1 405.520 3.783 20 5 HHBDMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000481885152 994750547 /nfs/dbraw/zinc/75/05/47/994750547.db2.gz QRKUWGZZPPEJMB-CRAIPNDOSA-N 0 1 421.906 3.553 20 5 HHBDMN COc1cccc([C@@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)CCN2C2CC2)c1 ZINC000482007038 994912178 /nfs/dbraw/zinc/91/21/78/994912178.db2.gz GHCFCUBVUSKEKM-WOJBJXKFSA-N 0 1 415.877 3.965 20 5 HHBDMN COc1cccc([C@H]2[C@@H](NC(=O)CCc3cccc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000482068645 995002513 /nfs/dbraw/zinc/00/25/13/995002513.db2.gz AFZQLAYTCGFIKW-GMAHTHKFSA-N 0 1 409.486 3.630 20 5 HHBDMN Cn1cnnc1Sc1ccc(C(=O)Nc2cc(F)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC000474438850 995400583 /nfs/dbraw/zinc/40/05/83/995400583.db2.gz RZMPGNOPNKBUBN-UHFFFAOYSA-N 0 1 423.813 3.625 20 5 HHBDMN O=[N+]([O-])c1ccc(CNc2ccccc2N2CCN(CCc3ccncc3)CC2)cc1 ZINC000482549147 995556955 /nfs/dbraw/zinc/55/69/55/995556955.db2.gz KAYYDYMCKIMBKQ-UHFFFAOYSA-N 0 1 417.513 3.967 20 5 HHBDMN Cc1cc(Br)c(O)c(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000482641224 995635779 /nfs/dbraw/zinc/63/57/79/995635779.db2.gz PXQJZICUWWBMHM-UHFFFAOYSA-N 0 1 418.203 3.877 20 5 HHBDMN COC(=O)COc1ccc(CN2C[C@@H](C)C[C@H]2c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000475122543 995936469 /nfs/dbraw/zinc/93/64/69/995936469.db2.gz VWYQSBQFULELAB-KXBFYZLASA-N 0 1 414.458 3.738 20 5 HHBDMN CCOc1ccc(NC(=O)CN(C)[C@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000483058917 995947104 /nfs/dbraw/zinc/94/71/04/995947104.db2.gz LBBCHDGLXVGPDI-SFHVURJKSA-N 0 1 412.490 3.533 20 5 HHBDMN COc1c(C(=O)Nc2ccc(CN3CCSCC3)cc2C)cccc1[N+](=O)[O-] ZINC000475469869 996161881 /nfs/dbraw/zinc/16/18/81/996161881.db2.gz XRBKFNGLCRVNDC-UHFFFAOYSA-N 0 1 401.488 3.713 20 5 HHBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(C2CCCCC2)CC1 ZINC000483853871 996428402 /nfs/dbraw/zinc/42/84/02/996428402.db2.gz VKSQJQSWNSFLIC-UHFFFAOYSA-N 0 1 403.526 3.632 20 5 HHBDMN Cc1cc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)ccc1[N+](=O)[O-] ZINC000484111868 996576544 /nfs/dbraw/zinc/57/65/44/996576544.db2.gz GRIDYRMBLTXXMM-UHFFFAOYSA-N 0 1 409.427 3.642 20 5 HHBDMN O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476090263 996588377 /nfs/dbraw/zinc/58/83/77/996588377.db2.gz JKRZNQABPLVKNR-UHFFFAOYSA-N 0 1 417.219 3.560 20 5 HHBDMN CCOc1ccccc1CN(CCCn1ccnc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476243386 996701935 /nfs/dbraw/zinc/70/19/35/996701935.db2.gz GAGAVSCSJGRCSB-UHFFFAOYSA-N 0 1 424.457 3.628 20 5 HHBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)c1[N+](=O)[O-] ZINC000484766480 997110554 /nfs/dbraw/zinc/11/05/54/997110554.db2.gz DBSQDGUSXBQCDQ-MRXNPFEDSA-N 0 1 412.425 3.777 20 5 HHBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477303082 997989597 /nfs/dbraw/zinc/98/95/97/997989597.db2.gz VHOVFVJLQGVIAF-KGLIPLIRSA-N 0 1 400.483 3.564 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1c[nH]c2ccccc12 ZINC000485878618 998334176 /nfs/dbraw/zinc/33/41/76/998334176.db2.gz BPHQQZHZWPMBOQ-UHFFFAOYSA-N 0 1 414.270 3.904 20 5 HHBDMN COc1ccc(-c2cc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n[nH]2)cc1OC ZINC000486117175 998564856 /nfs/dbraw/zinc/56/48/56/998564856.db2.gz GQMIHQVCBPROTD-UHFFFAOYSA-N 0 1 422.441 3.807 20 5 HHBDMN O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000477840436 998594975 /nfs/dbraw/zinc/59/49/75/998594975.db2.gz DFKZLFFYJWSCFN-OAHLLOKOSA-N 0 1 402.357 3.880 20 5 HHBDMN COc1ccccc1[C@H](C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+]1CCCC1 ZINC000486440198 998769427 /nfs/dbraw/zinc/76/94/27/998769427.db2.gz URJLNXGGAMKGMR-SFHVURJKSA-N 0 1 409.446 3.902 20 5 HHBDMN Cc1ccc([C@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000486445644 998772344 /nfs/dbraw/zinc/77/23/44/998772344.db2.gz KSTLXKLGGXKNGA-SFHVURJKSA-N 0 1 420.897 3.828 20 5 HHBDMN Cc1ccc([C@@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000486445643 998772360 /nfs/dbraw/zinc/77/23/60/998772360.db2.gz KSTLXKLGGXKNGA-GOSISDBHSA-N 0 1 420.897 3.828 20 5 HHBDMN COc1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c2cccnc12 ZINC000486594037 998846816 /nfs/dbraw/zinc/84/68/16/998846816.db2.gz BDYKOAOUQYBDIR-UHFFFAOYSA-N 0 1 407.835 3.914 20 5 HHBDMN COC(=O)c1cnc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000478259284 998850215 /nfs/dbraw/zinc/85/02/15/998850215.db2.gz MOBNIHNIRUMCEE-KRWDZBQOSA-N 0 1 404.854 3.679 20 5 HHBDMN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCN1Cc1ccccc1 ZINC000486732320 998912830 /nfs/dbraw/zinc/91/28/30/998912830.db2.gz CACRRMXZSVEPFF-GOSISDBHSA-N 0 1 407.392 3.894 20 5 HHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccnc(Oc2ccccc2F)c1 ZINC000486820420 998954870 /nfs/dbraw/zinc/95/48/70/998954870.db2.gz PGITVICFXKNJIL-UHFFFAOYSA-N 0 1 421.381 3.539 20 5 HHBDMN O=C(NCCCCN1CCOCC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000487475372 999190751 /nfs/dbraw/zinc/19/07/51/999190751.db2.gz OVVTTYRMVSWVCE-UHFFFAOYSA-N 0 1 415.515 3.588 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc(Oc3ccncc3)c2)cc1[N+](=O)[O-] ZINC000488254950 999411924 /nfs/dbraw/zinc/41/19/24/999411924.db2.gz NQJSVJROKDKAQK-UHFFFAOYSA-N 0 1 419.390 3.731 20 5 HHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000488306807 999432485 /nfs/dbraw/zinc/43/24/85/999432485.db2.gz ISCMPIOCXIROFB-UHFFFAOYSA-N 0 1 409.439 3.534 20 5 HHBDMN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000479503735 999447839 /nfs/dbraw/zinc/44/78/39/999447839.db2.gz OYYUYQCOCVOMKR-YVEFUNNKSA-N 0 1 409.364 3.950 20 5 HHBDMN COc1cccc([C@@H]2[C@H](NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000488365258 999459069 /nfs/dbraw/zinc/45/90/69/999459069.db2.gz DRJRVLVSOBIZQB-IFMALSPDSA-N 0 1 424.501 3.723 20 5 HHBDMN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000479766585 999580751 /nfs/dbraw/zinc/58/07/51/999580751.db2.gz QAUMGVPBTDRKCN-VUCTXSBTSA-N 0 1 414.462 3.586 20 5 HHBDMN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000488869398 999632094 /nfs/dbraw/zinc/63/20/94/999632094.db2.gz VWQKMCPNFRWQTR-KRWDZBQOSA-N 0 1 400.410 3.834 20 5 HHBDMN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1ccc([N+](=O)[O-])cc1F ZINC000479922513 999649987 /nfs/dbraw/zinc/64/99/87/999649987.db2.gz WNAXNVMZYGABJA-HNNXBMFYSA-N 0 1 400.454 3.841 20 5 HHBDMN Cc1cc(NC[C@@H](C)N2CCc3sccc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489183122 999717715 /nfs/dbraw/zinc/71/77/15/999717715.db2.gz GQGOUXGANPTXNM-OAHLLOKOSA-N 0 1 409.515 3.702 20 5 HHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n[nH]1 ZINC000489227801 999726244 /nfs/dbraw/zinc/72/62/44/999726244.db2.gz JQGJPSDRUBQHQE-HUUCEWRRSA-N 0 1 403.486 3.664 20 5 HHBDMN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000489511894 999781257 /nfs/dbraw/zinc/78/12/57/999781257.db2.gz VNZAELVBKJVKJM-AWEZNQCLSA-N 0 1 414.805 3.831 20 5 HHBDMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000489620129 999804116 /nfs/dbraw/zinc/80/41/16/999804116.db2.gz IQTHAKYOSULNKN-WBVHZDCISA-N 0 1 421.906 3.553 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000490363812 999945042 /nfs/dbraw/zinc/94/50/42/999945042.db2.gz HMYYJAQPTMBNKV-SFHVURJKSA-N 0 1 409.446 3.835 20 5 HHBDMN CCOc1cc(CN2CCC(C(=O)NCCc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000492724526 1000141324 /nfs/dbraw/zinc/14/13/24/1000141324.db2.gz TYMAEPXMGZAJFN-UHFFFAOYSA-N 0 1 417.531 3.626 20 5 HHBDMN Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000493815279 1000195422 /nfs/dbraw/zinc/19/54/22/1000195422.db2.gz ICXZEPSJDOTGKK-DNVCBOLYSA-N 0 1 423.560 3.635 20 5 HHBDMN COc1cc(CNCc2ccccc2-n2cccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494019453 1000271090 /nfs/dbraw/zinc/27/10/90/1000271090.db2.gz JAIJMNPZZJARLC-UHFFFAOYSA-N 0 1 418.400 3.723 20 5 HHBDMN CN(C)[C@@H](CNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc(F)c1 ZINC000494129830 1000322683 /nfs/dbraw/zinc/32/26/83/1000322683.db2.gz BEUWTABLEMPVNK-SFHVURJKSA-N 0 1 414.462 3.890 20 5 HHBDMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000494500175 1000526049 /nfs/dbraw/zinc/52/60/49/1000526049.db2.gz CPXBNJQVWZSWMZ-UHFFFAOYSA-N 0 1 403.504 3.583 20 5 HHBDMN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494500538 1000526550 /nfs/dbraw/zinc/52/65/50/1000526550.db2.gz AIHQKRFMMZSKLL-UZCIPKQKSA-N 0 1 407.829 3.834 20 5 HHBDMN O=C(CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000494500684 1000527275 /nfs/dbraw/zinc/52/72/75/1000527275.db2.gz FMCJKCRAGLQLQL-FUHWJXTLSA-N 0 1 410.257 3.960 20 5 HHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000505288482 1000673921 /nfs/dbraw/zinc/67/39/21/1000673921.db2.gz WVLNZUNGFFICLI-UHFFFAOYSA-N 0 1 408.329 3.784 20 5 HHBDMN COc1ccc(CN2CCCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC2)cc1 ZINC000505296003 1000679877 /nfs/dbraw/zinc/67/98/77/1000679877.db2.gz OWQQBYRJYBOHRA-UHFFFAOYSA-N 0 1 421.444 3.913 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000495149446 1000889758 /nfs/dbraw/zinc/88/97/58/1000889758.db2.gz GPSIYTGEOGEWAT-INIZCTEOSA-N 0 1 411.380 3.655 20 5 HHBDMN CCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)n[nH]1 ZINC000496614812 1001205808 /nfs/dbraw/zinc/20/58/08/1001205808.db2.gz KOLZXIMOCGMVSY-GFCCVEGCSA-N 0 1 411.418 3.567 20 5 HHBDMN CCCS(=O)(=O)NC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000506613002 1001470987 /nfs/dbraw/zinc/47/09/87/1001470987.db2.gz PPNSJMDAAIKZHB-UHFFFAOYSA-N 0 1 423.560 3.617 20 5 HHBDMN O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000497663144 1001477001 /nfs/dbraw/zinc/47/70/01/1001477001.db2.gz JHDOZVBHDGGJCM-OAHLLOKOSA-N 0 1 401.220 3.600 20 5 HHBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000497741371 1001500587 /nfs/dbraw/zinc/50/05/87/1001500587.db2.gz DUOQJLBSUJYWOK-UHFFFAOYSA-N 0 1 418.881 3.651 20 5 HHBDMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000497741032 1001500636 /nfs/dbraw/zinc/50/06/36/1001500636.db2.gz XDPXCRQOQZPZIC-MJGOQNOKSA-N 0 1 415.515 3.517 20 5 HHBDMN COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)N2CCCC2)cc1 ZINC000497757254 1001505770 /nfs/dbraw/zinc/50/57/70/1001505770.db2.gz DNZJNLXUOISITN-OAQYLSRUSA-N 0 1 420.469 3.719 20 5 HHBDMN O=C(c1ccc(Cl)cc1)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000498106660 1001643293 /nfs/dbraw/zinc/64/32/93/1001643293.db2.gz LZUNCLJPXLRXKB-IBGZPJMESA-N 0 1 418.877 3.583 20 5 HHBDMN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000507178576 1001865457 /nfs/dbraw/zinc/86/54/57/1001865457.db2.gz LTCNMWSKDSDIHR-GTNSWQLSSA-N 0 1 400.822 3.727 20 5 HHBDMN O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507360549 1002022889 /nfs/dbraw/zinc/02/28/89/1002022889.db2.gz LBRJIQRKZDHBES-CYBMUJFWSA-N 0 1 406.263 3.935 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)cc2OC2CCOCC2)c1C ZINC000507598153 1002204467 /nfs/dbraw/zinc/20/44/67/1002204467.db2.gz TZEOZXNGUNNIDL-UHFFFAOYSA-N 0 1 424.450 3.709 20 5 HHBDMN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498887562 1002275733 /nfs/dbraw/zinc/27/57/33/1002275733.db2.gz AKNYESJJWLXMCX-CQSZACIVSA-N 0 1 424.486 3.734 20 5 HHBDMN O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498887561 1002275948 /nfs/dbraw/zinc/27/59/48/1002275948.db2.gz AKNYESJJWLXMCX-AWEZNQCLSA-N 0 1 424.486 3.734 20 5 HHBDMN CCOc1cc(NC(=O)NCc2nc3cccc(C)c3[nH]2)c([N+](=O)[O-])cc1OCC ZINC000499032533 1002409598 /nfs/dbraw/zinc/40/95/98/1002409598.db2.gz ZDDHJIGIJMWAIR-UHFFFAOYSA-N 0 1 413.434 3.899 20 5 HHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-n2cncn2)cc1 ZINC000499070179 1002453408 /nfs/dbraw/zinc/45/34/08/1002453408.db2.gz HGPHFUKQIMUADC-OLZOCXBDSA-N 0 1 414.853 3.507 20 5 HHBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000499180505 1002570746 /nfs/dbraw/zinc/57/07/46/1002570746.db2.gz PSEVJDJXZDOGKB-UHFFFAOYSA-N 0 1 422.356 3.659 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508073441 1002595034 /nfs/dbraw/zinc/59/50/34/1002595034.db2.gz KORUFCYSFQKTNE-MRXNPFEDSA-N 0 1 413.377 3.966 20 5 HHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN[C@@H](CO)c3cccc(Cl)c3F)o2)c1 ZINC000499937764 1003260169 /nfs/dbraw/zinc/26/01/69/1003260169.db2.gz VJUWMABLUCLWMO-INIZCTEOSA-N 0 1 405.813 3.908 20 5 HHBDMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000499960622 1003280421 /nfs/dbraw/zinc/28/04/21/1003280421.db2.gz CRUBXMDSFGWYLD-UHFFFAOYSA-N 0 1 402.476 3.723 20 5 HHBDMN C[C@@H]1CN(Cc2ccc(CNc3ncnc4cccc([N+](=O)[O-])c43)cc2)C[C@H](C)O1 ZINC000509054808 1003519525 /nfs/dbraw/zinc/51/95/25/1003519525.db2.gz RMACKHQWDTXLMP-IYBDPMFKSA-N 0 1 407.474 3.759 20 5 HHBDMN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000500468850 1003733883 /nfs/dbraw/zinc/73/38/83/1003733883.db2.gz VZKZFNZHYLUFCC-INIZCTEOSA-N 0 1 410.821 3.978 20 5 HHBDMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000511834370 1003810129 /nfs/dbraw/zinc/81/01/29/1003810129.db2.gz YMACZRFCYWTSMM-MRXNPFEDSA-N 0 1 411.355 3.757 20 5 HHBDMN C[NH+](C)Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)ccc1Cl ZINC000500784738 1003954367 /nfs/dbraw/zinc/95/43/67/1003954367.db2.gz CJVXEQSPZKANQH-UHFFFAOYSA-N 0 1 420.878 3.659 20 5 HHBDMN O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512034806 1003970624 /nfs/dbraw/zinc/97/06/24/1003970624.db2.gz JMMQLDVDYWRZBM-QGZVFWFLSA-N 0 1 422.407 3.687 20 5 HHBDMN O=C(CN[C@@H](CCO)c1ccc(Cl)c(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512211893 1004112958 /nfs/dbraw/zinc/11/29/58/1004112958.db2.gz IXUJGIMKHZPNIV-KRWDZBQOSA-N 0 1 424.284 3.504 20 5 HHBDMN CC[C@H](C)N(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000501035014 1004139062 /nfs/dbraw/zinc/13/90/62/1004139062.db2.gz FUUOUYCKKLGHNQ-HNNXBMFYSA-N 0 1 423.473 3.873 20 5 HHBDMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000512295002 1004198777 /nfs/dbraw/zinc/19/87/77/1004198777.db2.gz MFMATOCGPUMYNO-CYBMUJFWSA-N 0 1 420.510 3.737 20 5 HHBDMN CN1CCN(Cc2cccc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)c2)CC1 ZINC000501158684 1004242611 /nfs/dbraw/zinc/24/26/11/1004242611.db2.gz XLPIAMNQFVPFFQ-UHFFFAOYSA-N 0 1 410.518 3.892 20 5 HHBDMN CC[C@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000510244997 1004421950 /nfs/dbraw/zinc/42/19/50/1004421950.db2.gz SPPLNIHETVCGMN-CJNGLKHVSA-N 0 1 417.462 3.689 20 5 HHBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000501614472 1004553895 /nfs/dbraw/zinc/55/38/95/1004553895.db2.gz BBMPDHRSGWZQEQ-JKSUJKDBSA-N 0 1 420.469 3.584 20 5 HHBDMN CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(C)c1 ZINC000501827934 1004762665 /nfs/dbraw/zinc/76/26/65/1004762665.db2.gz NPHCEUBWNCGSML-UHFFFAOYSA-N 0 1 402.375 3.704 20 5 HHBDMN CCOc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000513121103 1004818200 /nfs/dbraw/zinc/81/82/00/1004818200.db2.gz YLFPJOUWYKWCNE-HOTGVXAUSA-N 0 1 415.490 3.700 20 5 HHBDMN COC(=O)C[C@](C)(NCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000513127002 1004821685 /nfs/dbraw/zinc/82/16/85/1004821685.db2.gz BEMZTTXMKGIFIW-SFHVURJKSA-N 0 1 407.264 3.925 20 5 HHBDMN COc1ccc(OCCN2CCC[C@H](Oc3ccccc3OC)C2)c([N+](=O)[O-])c1 ZINC000513368610 1004928982 /nfs/dbraw/zinc/92/89/82/1004928982.db2.gz XSZCHZVXUPXPER-KRWDZBQOSA-N 0 1 402.447 3.534 20 5 HHBDMN Cn1ccnc1[C@H](NCC(C)(C)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000513716979 1005094577 /nfs/dbraw/zinc/09/45/77/1005094577.db2.gz KOLWVUGUJJIPIX-JOCHJYFZSA-N 0 1 419.529 3.844 20 5 HHBDMN CC[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000513735472 1005102595 /nfs/dbraw/zinc/10/25/95/1005102595.db2.gz OEEHRYFSDPUVQZ-QGZVFWFLSA-N 0 1 419.428 3.763 20 5 HHBDMN CCOc1cc(CN[C@](C)(CO)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000511602369 1005240927 /nfs/dbraw/zinc/24/09/27/1005240927.db2.gz ANZYTPOCHBTCFP-GOSISDBHSA-N 0 1 409.280 3.753 20 5 HHBDMN CC[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000514093221 1005262084 /nfs/dbraw/zinc/26/20/84/1005262084.db2.gz IGNJQOSZXKFHRB-FYYLOGMGSA-N 0 1 419.529 3.844 20 5 HHBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000514186195 1005303423 /nfs/dbraw/zinc/30/34/23/1005303423.db2.gz OFIJQWFJNOKAFA-JOCHJYFZSA-N 0 1 408.502 3.753 20 5 HHBDMN CCOC(=O)[C@H](C)[C@H](C)N[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000514248511 1005332692 /nfs/dbraw/zinc/33/26/92/1005332692.db2.gz RKHFDXQUQXMICB-GQIGUUNPSA-N 0 1 413.474 3.760 20 5 HHBDMN O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000503739109 1005488003 /nfs/dbraw/zinc/48/80/03/1005488003.db2.gz OMLJFKZUJVOXLE-UHFFFAOYSA-N 0 1 407.361 3.728 20 5 HHBDMN CCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000504245811 1005581295 /nfs/dbraw/zinc/58/12/95/1005581295.db2.gz JOMWGBDVSMFSKG-CQSZACIVSA-N 0 1 401.467 3.711 20 5 HHBDMN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000504298514 1005592006 /nfs/dbraw/zinc/59/20/06/1005592006.db2.gz OUALYULTKJJEPU-CQSZACIVSA-N 0 1 400.263 3.783 20 5 HHBDMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000514572982 1006042638 /nfs/dbraw/zinc/04/26/38/1006042638.db2.gz CXUVVUVAVMIVFP-OAHLLOKOSA-N 0 1 423.391 3.540 20 5 HHBDMN COCCCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000514642535 1006068300 /nfs/dbraw/zinc/06/83/00/1006068300.db2.gz KWSXNFVAAWQUDT-QGZVFWFLSA-N 0 1 422.279 3.663 20 5 HHBDMN CCc1nc([C@H](C)NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)n[nH]1 ZINC000534241668 1006248724 /nfs/dbraw/zinc/24/87/24/1006248724.db2.gz NJXTYCCEDWQPGE-AWEZNQCLSA-N 0 1 411.462 3.714 20 5 HHBDMN CCc1c(NC(=O)c2ccc([N+](=O)[O-])cn2)[nH]nc1-c1ccc(Br)cc1 ZINC000531627798 1006314979 /nfs/dbraw/zinc/31/49/79/1006314979.db2.gz PTBDNLUBWCGXEO-UHFFFAOYSA-N 0 1 416.235 3.957 20 5 HHBDMN O=C(Nc1ccc2nc(N3CCOCC3)[nH]c2c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000515409972 1006447656 /nfs/dbraw/zinc/44/76/56/1006447656.db2.gz YHQFNBINZVNSLW-UHFFFAOYSA-N 0 1 423.454 3.775 20 5 HHBDMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(F)F)ccc2Cl)c([N+](=O)[O-])c1 ZINC000515702481 1006599040 /nfs/dbraw/zinc/59/90/40/1006599040.db2.gz MCFDSSVRJUEKKM-UHFFFAOYSA-N 0 1 420.777 3.773 20 5 HHBDMN O=C(CN[C@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000538391523 1006661385 /nfs/dbraw/zinc/66/13/85/1006661385.db2.gz HDVJJRAQZDIIHB-FQEVSTJZSA-N 0 1 417.849 3.699 20 5 HHBDMN Cc1ccc([C@H](C)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000532214046 1006726635 /nfs/dbraw/zinc/72/66/35/1006726635.db2.gz RWWBVYDBXNTLRW-INIZCTEOSA-N 0 1 405.520 3.582 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000532270366 1006760077 /nfs/dbraw/zinc/76/00/77/1006760077.db2.gz MPOWYZNUEKKCSA-UHFFFAOYSA-N 0 1 413.455 3.932 20 5 HHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000538592374 1006861321 /nfs/dbraw/zinc/86/13/21/1006861321.db2.gz SFDKPWBAUAOSFU-HZPDHXFCSA-N 0 1 409.552 3.716 20 5 HHBDMN COc1cc(CNc2nc3cc4c(cc3s2)OCCCO4)cc([N+](=O)[O-])c1O ZINC000538608929 1006879918 /nfs/dbraw/zinc/87/99/18/1006879918.db2.gz KRPFVMAZQHTKPR-UHFFFAOYSA-N 0 1 403.416 3.692 20 5 HHBDMN Cn1cc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000538759430 1007044234 /nfs/dbraw/zinc/04/42/34/1007044234.db2.gz ZAQFXPPHBIMMGN-INIZCTEOSA-N 0 1 408.462 3.635 20 5 HHBDMN COC[C@@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CC1 ZINC000532737659 1007147393 /nfs/dbraw/zinc/14/73/93/1007147393.db2.gz VMHMWFMLRNNLDL-RTBURBONSA-N 0 1 403.866 3.943 20 5 HHBDMN NC(=O)c1ccc(CN2CCC[C@@H](COc3ccccc3Cl)C2)c([N+](=O)[O-])c1 ZINC000532827073 1007210643 /nfs/dbraw/zinc/21/06/43/1007210643.db2.gz GUBCNCLSZZJJNC-CQSZACIVSA-N 0 1 403.866 3.638 20 5 HHBDMN CC(C)c1[nH]nc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c1[N+](=O)[O-] ZINC000532902951 1007279727 /nfs/dbraw/zinc/27/97/27/1007279727.db2.gz QVQMOQKXTSARLT-UHFFFAOYSA-N 0 1 422.467 3.977 20 5 HHBDMN CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000539075434 1007366070 /nfs/dbraw/zinc/36/60/70/1007366070.db2.gz GLAMEVGPRUFZJP-MRXNPFEDSA-N 0 1 405.520 3.785 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@H]2CCN(CCCc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000539121975 1007410661 /nfs/dbraw/zinc/41/06/61/1007410661.db2.gz LLQHRUVRJKPUML-PXNSSMCTSA-N 0 1 411.502 3.878 20 5 HHBDMN CN1CC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000535461711 1007525500 /nfs/dbraw/zinc/52/55/00/1007525500.db2.gz AOAFYFATMSADMD-IAGOWNOFSA-N 0 1 404.264 3.533 20 5 HHBDMN CCOc1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000539268864 1007564225 /nfs/dbraw/zinc/56/42/25/1007564225.db2.gz ZOXZBIMYZYWOSM-GFCCVEGCSA-N 0 1 407.854 3.945 20 5 HHBDMN C[C@@H](NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000539282193 1007578063 /nfs/dbraw/zinc/57/80/63/1007578063.db2.gz WEABRHMSCZNNIC-QWHCGFSZSA-N 0 1 406.280 3.885 20 5 HHBDMN COCCSc1ccc([C@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000539303923 1007601887 /nfs/dbraw/zinc/60/18/87/1007601887.db2.gz JLRWUKWMTAEUBW-HNNXBMFYSA-N 0 1 403.504 3.931 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000533301921 1007619406 /nfs/dbraw/zinc/61/94/06/1007619406.db2.gz QTGNDUYKRFBGPG-ZBFHGGJFSA-N 0 1 401.438 3.634 20 5 HHBDMN CN(C)Cc1ccc(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000535670233 1007688387 /nfs/dbraw/zinc/68/83/87/1007688387.db2.gz JZJYMMULWAGLHD-UHFFFAOYSA-N 0 1 402.470 3.618 20 5 HHBDMN CC(C)(C)c1ccc(S(=O)(=O)CCNC/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000539447392 1007759069 /nfs/dbraw/zinc/75/90/69/1007759069.db2.gz VCISSOPZERPZED-SOFGYWHQSA-N 0 1 402.516 3.969 20 5 HHBDMN Nc1c(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000535799803 1007806134 /nfs/dbraw/zinc/80/61/34/1007806134.db2.gz BVPBUULXPQTZBM-UHFFFAOYSA-N 0 1 415.278 3.960 20 5 HHBDMN Cc1c(NC(=O)[C@H](C)N2CCC(c3c[nH]c4ncccc34)CC2)cccc1[N+](=O)[O-] ZINC000533519590 1007838493 /nfs/dbraw/zinc/83/84/93/1007838493.db2.gz HXAIWFMPDNSFJM-HNNXBMFYSA-N 0 1 407.474 3.986 20 5 HHBDMN Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000535965793 1008002400 /nfs/dbraw/zinc/00/24/00/1008002400.db2.gz LXYNJHQWDMKKTQ-SFHVURJKSA-N 0 1 418.457 3.968 20 5 HHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539743248 1008058044 /nfs/dbraw/zinc/05/80/44/1008058044.db2.gz DMWLSOMCQGTUQN-OAHLLOKOSA-N 0 1 413.478 3.789 20 5 HHBDMN O=[N+]([O-])c1cc(CN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c2c(c1)COCO2 ZINC000539767023 1008084032 /nfs/dbraw/zinc/08/40/32/1008084032.db2.gz UBQYCJGFMJYSMB-INIZCTEOSA-N 0 1 421.457 3.626 20 5 HHBDMN Cc1nc2cc(NS(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)ccc2o1 ZINC000518241645 1008222011 /nfs/dbraw/zinc/22/20/11/1008222011.db2.gz PEFLQDUNHIVJIQ-UHFFFAOYSA-N 0 1 412.221 3.608 20 5 HHBDMN O=[N+]([O-])c1ccc2[nH]cc(C=C(O)Nc3nc(-c4cccc(Cl)c4)ns3)c2c1 ZINC000534004947 1008261486 /nfs/dbraw/zinc/26/14/86/1008261486.db2.gz BXCZOJOWQXEHGW-UHFFFAOYSA-N 0 1 413.846 3.851 20 5 HHBDMN O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000518336387 1008266707 /nfs/dbraw/zinc/26/67/07/1008266707.db2.gz RIZTUNPHBROEOO-KRWDZBQOSA-N 0 1 403.866 3.738 20 5 HHBDMN O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000518336387 1008266708 /nfs/dbraw/zinc/26/67/08/1008266708.db2.gz RIZTUNPHBROEOO-KRWDZBQOSA-N 0 1 403.866 3.738 20 5 HHBDMN CCOc1ccc([C@H](C)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000540143673 1008310391 /nfs/dbraw/zinc/31/03/91/1008310391.db2.gz HCHCNKYZBRNGAF-ODLKPZKQSA-N 0 1 419.428 3.894 20 5 HHBDMN Cc1c([C@@H](C)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000540179104 1008324932 /nfs/dbraw/zinc/32/49/32/1008324932.db2.gz MLUNWEBEMABFSS-MRXNPFEDSA-N 0 1 416.909 3.556 20 5 HHBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000540191533 1008329473 /nfs/dbraw/zinc/32/94/73/1008329473.db2.gz UIBLUGJUSYDPLE-OAHLLOKOSA-N 0 1 415.471 3.517 20 5 HHBDMN Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000518657421 1008381988 /nfs/dbraw/zinc/38/19/88/1008381988.db2.gz PLYFEFYXDIIZLX-UHFFFAOYSA-N 0 1 420.878 3.529 20 5 HHBDMN COc1cc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000540328290 1008382088 /nfs/dbraw/zinc/38/20/88/1008382088.db2.gz UNVYMQYEUZJUSQ-KBPBESRZSA-N 0 1 417.462 3.607 20 5 HHBDMN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000540339107 1008387281 /nfs/dbraw/zinc/38/72/81/1008387281.db2.gz OYYVQPLKIGXPIP-HNNXBMFYSA-N 0 1 419.503 3.779 20 5 HHBDMN COc1cc([C@@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCC(C)C ZINC000540371176 1008403948 /nfs/dbraw/zinc/40/39/48/1008403948.db2.gz ZVHJHMZWGVDWNO-OAHLLOKOSA-N 0 1 401.463 3.928 20 5 HHBDMN COc1cc(F)c([C@@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000540388452 1008412037 /nfs/dbraw/zinc/41/20/37/1008412037.db2.gz QCADUTFSAKKEDZ-CYBMUJFWSA-N 0 1 405.426 3.739 20 5 HHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)c1 ZINC000518798663 1008424195 /nfs/dbraw/zinc/42/41/95/1008424195.db2.gz NDZXFJRYKTZVPX-UHFFFAOYSA-N 0 1 419.522 3.537 20 5 HHBDMN CN(C)[C@@H](CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549109146 1008673178 /nfs/dbraw/zinc/67/31/78/1008673178.db2.gz OLXLWRRSHPEYGB-IBGZPJMESA-N 0 1 404.898 3.735 20 5 HHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000543118369 1008691198 /nfs/dbraw/zinc/69/11/98/1008691198.db2.gz GKUFPUMKSXCWMA-CYBMUJFWSA-N 0 1 406.851 3.565 20 5 HHBDMN CCN1CCN(c2ccc(-c3noc(/C(C)=C\c4ccc([N+](=O)[O-])cc4)n3)cn2)CC1 ZINC000545695117 1008788930 /nfs/dbraw/zinc/78/89/30/1008788930.db2.gz JKFXTEHYMMCZTI-PEZBUJJGSA-N 0 1 420.473 3.742 20 5 HHBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000549371534 1008953723 /nfs/dbraw/zinc/95/37/23/1008953723.db2.gz LQQAHWFQABPPDW-UHFFFAOYSA-N 0 1 415.475 3.528 20 5 HHBDMN C[C@H](C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000543537098 1009127470 /nfs/dbraw/zinc/12/74/70/1009127470.db2.gz MCCLLMWJUXHAPO-AWEZNQCLSA-N 0 1 403.429 3.757 20 5 HHBDMN COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3F)CCN2C2CC2)c1 ZINC000543640925 1009244708 /nfs/dbraw/zinc/24/47/08/1009244708.db2.gz ACZQHBFSLJHNOI-UXHICEINSA-N 0 1 414.437 3.842 20 5 HHBDMN COc1cc(CN2CCC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000543748578 1009327547 /nfs/dbraw/zinc/32/75/47/1009327547.db2.gz YKLACSBNVGQKGB-FUHWJXTLSA-N 0 1 400.475 3.775 20 5 HHBDMN CCCCc1nc2ccc(NC(=O)c3nnn(-c4cccc([N+](=O)[O-])c4)c3C)cc2[nH]1 ZINC000520189100 1009330838 /nfs/dbraw/zinc/33/08/38/1009330838.db2.gz DWQRTMKHUZUIRH-UHFFFAOYSA-N 0 1 419.445 3.955 20 5 HHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)c1C ZINC000520280689 1009398049 /nfs/dbraw/zinc/39/80/49/1009398049.db2.gz VAKPYQJTKCJMHH-HUUCEWRRSA-N 0 1 419.503 3.626 20 5 HHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)cc1C(F)(F)F ZINC000543858819 1009424601 /nfs/dbraw/zinc/42/46/01/1009424601.db2.gz ZQRVUTUNBFWCQQ-UHFFFAOYSA-N 0 1 400.256 3.832 20 5 HHBDMN CN1CCN(c2ccccc2-c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000546416990 1009435527 /nfs/dbraw/zinc/43/55/27/1009435527.db2.gz GSCIWISXKPNOTF-UHFFFAOYSA-N 0 1 415.400 3.537 20 5 HHBDMN Cc1c2ccccc2sc1C(=O)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549860574 1009479230 /nfs/dbraw/zinc/47/92/30/1009479230.db2.gz ONSZCRGWBRDYAP-UHFFFAOYSA-N 0 1 411.483 3.782 20 5 HHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2Cc2c(F)cccc2Cl)c1 ZINC000520524004 1009613823 /nfs/dbraw/zinc/61/38/23/1009613823.db2.gz XMFPVKWBIAHOSZ-GOEBONIOSA-N 0 1 408.857 3.834 20 5 HHBDMN COc1ccc(-c2ccc(CNCc3cccc(N4CCOCC4)c3)o2)c([N+](=O)[O-])c1 ZINC000550228476 1009790164 /nfs/dbraw/zinc/79/01/64/1009790164.db2.gz VCLSLAHBVQHAFC-UHFFFAOYSA-N 0 1 423.469 3.990 20 5 HHBDMN COc1ccc(CN[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000550291358 1009837174 /nfs/dbraw/zinc/83/71/74/1009837174.db2.gz BOVOQHCHKGHGBV-KDOFPFPSSA-N 0 1 401.438 3.584 20 5 HHBDMN CCN1CCN(c2ccccc2NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000544402520 1010021866 /nfs/dbraw/zinc/02/18/66/1010021866.db2.gz GVUJBHJYFVVTSJ-OAHLLOKOSA-N 0 1 400.454 3.618 20 5 HHBDMN COc1ccc2oc([C@H](C)NCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c(C)c2c1 ZINC000544475693 1010098549 /nfs/dbraw/zinc/09/85/49/1010098549.db2.gz ZFXHKTOCVOEORA-ZDUSSCGKSA-N 0 1 413.430 3.956 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000521415330 1010362534 /nfs/dbraw/zinc/36/25/34/1010362534.db2.gz VLUXXUKHTXAWSR-UHFFFAOYSA-N 0 1 406.851 3.797 20 5 HHBDMN COc1ccc(CNCc2ccc(OCc3ccncc3)c(OC)c2)cc1[N+](=O)[O-] ZINC000521828404 1010643902 /nfs/dbraw/zinc/64/39/02/1010643902.db2.gz WHWQIGSNRHXEHN-UHFFFAOYSA-N 0 1 409.442 3.876 20 5 HHBDMN Cc1ccc(C=Cc2n[nH]c(S[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)n2)o1 ZINC000521837413 1010649346 /nfs/dbraw/zinc/64/93/46/1010649346.db2.gz IDXKYHCCPXIYTP-WAVCKPEOSA-N 0 1 411.443 3.682 20 5 HHBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000521839399 1010651505 /nfs/dbraw/zinc/65/15/05/1010651505.db2.gz XWFPNOGRYZPCDK-DNVCBOLYSA-N 0 1 413.474 3.848 20 5 HHBDMN CC1CCC(N2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)CC1 ZINC000522347489 1010946028 /nfs/dbraw/zinc/94/60/28/1010946028.db2.gz QKWPUTXAYBPIQF-UHFFFAOYSA-N 0 1 417.553 3.878 20 5 HHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(CSC3CCOCC3)c2)cc1 ZINC000522528456 1011064728 /nfs/dbraw/zinc/06/47/28/1011064728.db2.gz AUDCHBCIOKQIRN-UHFFFAOYSA-N 0 1 408.501 3.808 20 5 HHBDMN COc1cc2c(cc1OC)CCN(Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000536356317 1011564489 /nfs/dbraw/zinc/56/44/89/1011564489.db2.gz WGABZSDRGHDLTG-UHFFFAOYSA-N 0 1 409.442 3.868 20 5 HHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000536732241 1011906645 /nfs/dbraw/zinc/90/66/45/1011906645.db2.gz BDWGKKOFCHUHQY-KRWDZBQOSA-N 0 1 414.481 3.750 20 5 HHBDMN Cc1c([C@@H](C)NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cccc1[N+](=O)[O-] ZINC000551817994 1011975056 /nfs/dbraw/zinc/97/50/56/1011975056.db2.gz OJWOYIOEZFHVIA-CMJOXMDJSA-N 0 1 422.485 3.979 20 5 HHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000541308874 1012017335 /nfs/dbraw/zinc/01/73/35/1012017335.db2.gz RIWZOQKDRSQIFO-AWEZNQCLSA-N 0 1 410.320 3.763 20 5 HHBDMN CC(C)COc1ccc(C(C)(C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000541323099 1012034028 /nfs/dbraw/zinc/03/40/28/1012034028.db2.gz DIGRMLIETCJNCO-UHFFFAOYSA-N 0 1 420.531 3.928 20 5 HHBDMN Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)N2CCCC2)o1 ZINC000523549171 1012084804 /nfs/dbraw/zinc/08/48/04/1012084804.db2.gz BNQNEXXJXMQESL-INIZCTEOSA-N 0 1 422.279 3.826 20 5 HHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cc(F)ccc1Br ZINC000536901785 1012161583 /nfs/dbraw/zinc/16/15/83/1012161583.db2.gz VXHXLJILVUPLJC-UHFFFAOYSA-N 0 1 403.229 3.914 20 5 HHBDMN CCc1ccc([C@H](NCCCN2C[C@@H](C)O[C@@H](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549929 1012337499 /nfs/dbraw/zinc/33/74/99/1012337499.db2.gz LMHZCGSHUZCJAE-HYFFOGBASA-N 0 1 401.507 3.929 20 5 HHBDMN CC1CCC(N2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)CC1 ZINC000523724311 1012337606 /nfs/dbraw/zinc/33/76/06/1012337606.db2.gz WVEDRHZULMPKFM-UHFFFAOYSA-N 0 1 400.523 3.532 20 5 HHBDMN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000541591943 1012384452 /nfs/dbraw/zinc/38/44/52/1012384452.db2.gz VMBIQNSKYSWNTP-AWEZNQCLSA-N 0 1 406.324 3.643 20 5 HHBDMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000541602660 1012400992 /nfs/dbraw/zinc/40/09/92/1012400992.db2.gz FXMYBRCZZQIFHR-JQWIXIFHSA-N 0 1 413.400 3.648 20 5 HHBDMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000537078323 1012425683 /nfs/dbraw/zinc/42/56/83/1012425683.db2.gz AKSSLUMLOILZEP-OAHLLOKOSA-N 0 1 407.474 3.995 20 5 HHBDMN COc1cc(C)c([C@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000537088822 1012446599 /nfs/dbraw/zinc/44/65/99/1012446599.db2.gz ZIQUZCITGIWJNG-LBPRGKRZSA-N 0 1 407.854 3.863 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000523870444 1012567835 /nfs/dbraw/zinc/56/78/35/1012567835.db2.gz JBDRREQGEWJTCK-UHFFFAOYSA-N 0 1 413.459 3.621 20 5 HHBDMN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H](c1ccco1)N1CCCC1 ZINC000523887344 1012589756 /nfs/dbraw/zinc/58/97/56/1012589756.db2.gz FJQNQCOXEDPPDJ-INIZCTEOSA-N 0 1 407.854 3.563 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC1(CCO)CCCCC1 ZINC000541818186 1012704991 /nfs/dbraw/zinc/70/49/91/1012704991.db2.gz QPEIQDAYJDYRBM-UHFFFAOYSA-N 0 1 411.307 3.513 20 5 HHBDMN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000524038720 1012788369 /nfs/dbraw/zinc/78/83/69/1012788369.db2.gz SNFARCGBZIHIAX-AWEZNQCLSA-N 0 1 411.466 3.610 20 5 HHBDMN Cc1ccc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000524122156 1012899982 /nfs/dbraw/zinc/89/99/82/1012899982.db2.gz FWUJHBHLCGUBNL-HKUYNNGSSA-N 0 1 417.531 3.577 20 5 HHBDMN CC1CCN([C@H](CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)c2cccs2)CC1 ZINC000552911122 1012911402 /nfs/dbraw/zinc/91/14/02/1012911402.db2.gz LRWZAEXMOSDKKF-QGZVFWFLSA-N 0 1 413.503 4.190 20 5 HHBDMN COc1ccc(NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000542032345 1012929771 /nfs/dbraw/zinc/92/97/71/1012929771.db2.gz JOPCACSZLSSEGF-HNNXBMFYSA-N 0 1 408.418 3.758 20 5 HHBDMN COc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000542032345 1012929786 /nfs/dbraw/zinc/92/97/86/1012929786.db2.gz JOPCACSZLSSEGF-HNNXBMFYSA-N 0 1 408.418 3.758 20 5 HHBDMN CO[C@@H](C)c1cccc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000760354602 1072273237 /nfs/dbraw/zinc/27/32/37/1072273237.db2.gz APPPIBJTEOUOHX-JTQLQIEISA-N 0 1 415.265 3.866 20 5 HHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000912731573 1072273303 /nfs/dbraw/zinc/27/33/03/1072273303.db2.gz NZJRVGPNRSRLEV-UHFFFAOYSA-N 0 1 405.310 3.631 20 5 HHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)ccc1Br ZINC000760360569 1072277905 /nfs/dbraw/zinc/27/79/05/1072277905.db2.gz LIOFDYNTXQVCDM-UHFFFAOYSA-N 0 1 411.155 3.575 20 5 HHBDMN COc1cc(CN2CC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000570885241 1072401293 /nfs/dbraw/zinc/40/12/93/1072401293.db2.gz ABDBRBMFFNITHK-GOSISDBHSA-N 0 1 422.485 3.905 20 5 HHBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000571339363 1072605929 /nfs/dbraw/zinc/60/59/29/1072605929.db2.gz YOAKVPOITXPSBM-UHFFFAOYSA-N 0 1 400.840 3.629 20 5 HHBDMN O=C(Nc1nc(Br)ccc1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000783905705 1072609944 /nfs/dbraw/zinc/60/99/44/1072609944.db2.gz YHNNXLMRYHFBFE-UHFFFAOYSA-N 0 1 406.114 3.729 20 5 HHBDMN COC(=O)C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc2ccccc21 ZINC000588785107 1073209053 /nfs/dbraw/zinc/20/90/53/1073209053.db2.gz FPVMHQIJDYJNLW-LJQANCHMSA-N 0 1 418.409 3.659 20 5 HHBDMN O=C(c1cccc(Cl)c1Cl)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000555315370 1073339569 /nfs/dbraw/zinc/33/95/69/1073339569.db2.gz DYYALWHEFBVAKU-UHFFFAOYSA-N 0 1 410.257 3.565 20 5 HHBDMN O=C([O-])c1ccccc1C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000615165518 1074079915 /nfs/dbraw/zinc/07/99/15/1074079915.db2.gz DPZQKXNCXQHPSD-UHFFFAOYSA-N 0 1 408.414 3.723 20 5 HHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])[C@@H]2C ZINC001164863206 720940866 /nfs/dbraw/zinc/94/08/66/720940866.db2.gz YVKPGLXZBTTXIJ-LLVKDONJSA-N 0 1 413.309 3.915 20 5 HHBDMN O=[N+]([O-])c1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164901806 721584147 /nfs/dbraw/zinc/58/41/47/721584147.db2.gz ASFFIJZYCSMTJE-GOSISDBHSA-N 0 1 423.851 3.776 20 5 HHBDMN