smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000150795862 544472617 /nfs/dbraw/zinc/47/26/17/544472617.db2.gz ZHSBJZBHWCGZLH-GWCFXTLKSA-N 0 3 368.821 2.032 10 5 FEBEHN CCn1cnnc1C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000152164765 544620805 /nfs/dbraw/zinc/62/08/05/544620805.db2.gz NLXJSZUNMJHLNN-UHFFFAOYSA-N 0 3 372.429 2.414 10 5 FEBEHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Br ZINC000174661352 327341931 /nfs/dbraw/zinc/34/19/31/327341931.db2.gz NYNXSATYLJNYQO-ZYHUDNBSSA-N 0 3 369.219 2.266 10 5 FEBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000175035464 327369615 /nfs/dbraw/zinc/36/96/15/327369615.db2.gz VJYPRQLTHQTKBF-WMLDXEAASA-N 0 3 369.425 2.479 10 5 FEBEHN CC[C@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176687471 546476863 /nfs/dbraw/zinc/47/68/63/546476863.db2.gz QFWLEPRXUQVZPO-HOTGVXAUSA-N 0 3 350.419 2.018 10 5 FEBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000177203969 546569720 /nfs/dbraw/zinc/56/97/20/546569720.db2.gz ABUFGFVNKSKCOU-HIFRSBDPSA-N 0 3 357.414 2.239 10 5 FEBEHN CCn1cc(C2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000195499159 548650411 /nfs/dbraw/zinc/65/04/11/548650411.db2.gz DXOQRYIHVDPHQY-GOSISDBHSA-N 0 3 374.441 2.431 10 5 FEBEHN CC[C@@H]1CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000248621524 549469667 /nfs/dbraw/zinc/46/96/67/549469667.db2.gz LNQGBXFOUXFRQB-GXTWGEPZSA-N 0 3 355.410 2.020 10 5 FEBEHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@H]2CNCCN2C)no1 ZINC000263310787 549894151 /nfs/dbraw/zinc/89/41/51/549894151.db2.gz YOUODDJTQIWJFS-BXKDBHETSA-N 0 3 367.793 2.347 10 5 FEBEHN CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000248028533 672853829 /nfs/dbraw/zinc/85/38/29/672853829.db2.gz JXOFOWNETPTHAJ-STQMWFEESA-N 0 3 371.434 2.290 10 5 FEBEHN COc1ccc([N+](=O)[O-])cc1CN(C)C1CCN(CCn2cccn2)CC1 ZINC000106130452 543206027 /nfs/dbraw/zinc/20/60/27/543206027.db2.gz OUXGGEQWAPUKPH-UHFFFAOYSA-N 0 3 373.457 2.396 10 5 FEBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000152914752 544710750 /nfs/dbraw/zinc/71/07/50/544710750.db2.gz DRCNTUYZCZIRFS-CQSZACIVSA-N 0 3 359.430 2.487 10 5 FEBEHN CN(C)C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000173142930 327237340 /nfs/dbraw/zinc/23/73/40/327237340.db2.gz OXPQNLAGUFQECN-MRXNPFEDSA-N 0 3 356.426 2.450 10 5 FEBEHN O=[N+]([O-])c1cncc(Br)c1NC[C@H](O)CN1CCCCC1 ZINC000160586200 546054376 /nfs/dbraw/zinc/05/43/76/546054376.db2.gz SRAMWPFCNUHVAV-JTQLQIEISA-N 0 3 359.224 2.011 10 5 FEBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000177039628 546529140 /nfs/dbraw/zinc/52/91/40/546529140.db2.gz PBBRBRDKQSDBIT-GFCCVEGCSA-N 0 3 351.403 2.168 10 5 FEBEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000177701427 546669754 /nfs/dbraw/zinc/66/97/54/546669754.db2.gz UETIFTRSVRNVBK-UONOGXRCSA-N 0 3 364.446 2.347 10 5 FEBEHN Cc1cnn([C@H]2CCCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000182240088 547459022 /nfs/dbraw/zinc/45/90/22/547459022.db2.gz PTQQEINJZKVZBE-HOTGVXAUSA-N 0 3 360.414 2.177 10 5 FEBEHN CN(Cc1cccnc1)C[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000195278952 548610352 /nfs/dbraw/zinc/61/03/52/548610352.db2.gz FSBHERBHLTVSTC-XLIONFOSSA-N 0 3 370.453 2.477 10 5 FEBEHN CCC[C@H](N)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000236828375 548782084 /nfs/dbraw/zinc/78/20/84/548782084.db2.gz BIFZISAVVHOKIK-LBPRGKRZSA-N 0 3 374.363 2.390 10 5 FEBEHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000246360891 549113661 /nfs/dbraw/zinc/11/36/61/549113661.db2.gz XHVBKNPKEYTMJF-DLBZAZTESA-N 0 3 357.414 2.019 10 5 FEBEHN CN1CCN(c2ccc3nc(-c4ccc(N)c([N+](=O)[O-])c4)[nH]c3c2)CC1 ZINC000034190202 539977078 /nfs/dbraw/zinc/97/70/78/539977078.db2.gz OPDPHVPWVJKBIO-UHFFFAOYSA-N 0 3 352.398 2.472 10 5 FEBEHN COc1cc(OCC(=O)N[C@H](CC(C)C)CN(C)C)ccc1[N+](=O)[O-] ZINC000068894225 541637241 /nfs/dbraw/zinc/63/72/41/541637241.db2.gz SMIDBPGINKLIFR-CYBMUJFWSA-N 0 3 353.419 2.075 10 5 FEBEHN CN(c1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000040661243 205076136 /nfs/dbraw/zinc/07/61/36/205076136.db2.gz KWBJWOTVLHAKQH-UHFFFAOYSA-N 0 3 367.413 2.254 10 5 FEBEHN O=C1[C@H](N2CCC(c3ccn[nH]3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131730 543315304 /nfs/dbraw/zinc/31/53/04/543315304.db2.gz SZUQTMHAJIGKIH-QGZVFWFLSA-N 0 3 355.398 2.303 10 5 FEBEHN CC(C)CN1CC[C@H](CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000126073770 543916208 /nfs/dbraw/zinc/91/62/08/543916208.db2.gz LEJJWTSIHLCXEF-CYBMUJFWSA-N 0 3 355.460 2.388 10 5 FEBEHN CC[C@H](NC(=O)NC[C@@H]1CCCN1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000090563818 325364002 /nfs/dbraw/zinc/36/40/02/325364002.db2.gz HTJZFKFZBSHYLT-IRXDYDNUSA-N 0 3 364.446 2.456 10 5 FEBEHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H](O)COCc3ccccc3)C2)nc1 ZINC000122275068 326390667 /nfs/dbraw/zinc/39/06/67/326390667.db2.gz GOSJQCQGXOQILC-FUHWJXTLSA-N 0 3 372.425 2.054 10 5 FEBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000177028099 546526494 /nfs/dbraw/zinc/52/64/94/546526494.db2.gz QGJSIYWYYJZZHY-MRXNPFEDSA-N 0 3 372.429 2.040 10 5 FEBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000182227779 547456840 /nfs/dbraw/zinc/45/68/40/547456840.db2.gz FKUCNAUIRRWRGC-HZPDHXFCSA-N 0 3 372.425 2.164 10 5 FEBEHN O=C(CN1CCC(c2ccn[nH]2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000195504922 548650764 /nfs/dbraw/zinc/65/07/64/548650764.db2.gz OJPCONUTHCTPCK-UHFFFAOYSA-N 0 3 355.398 2.087 10 5 FEBEHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@H]2CNCCN2C)no1 ZINC000263310789 549894020 /nfs/dbraw/zinc/89/40/20/549894020.db2.gz YOUODDJTQIWJFS-JOYOIKCWSA-N 0 3 367.793 2.347 10 5 FEBEHN CCOCCN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000106110495 543199618 /nfs/dbraw/zinc/19/96/18/543199618.db2.gz VVXFDCFACVLATO-INIZCTEOSA-N 0 3 351.447 2.406 10 5 FEBEHN CCOCCN1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1CC ZINC000106116813 543202252 /nfs/dbraw/zinc/20/22/52/543202252.db2.gz BVATZZOZKNTELJ-INIZCTEOSA-N 0 3 351.447 2.406 10 5 FEBEHN Cn1cc([C@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)cn1 ZINC000128660845 544065056 /nfs/dbraw/zinc/06/50/56/544065056.db2.gz HDNSFTAIDXAIDP-LBPRGKRZSA-N 0 3 361.377 2.286 10 5 FEBEHN Cc1c(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000247530148 549351586 /nfs/dbraw/zinc/35/15/86/549351586.db2.gz XKTNXDDSPGIQCS-ZWNOBZJWSA-N 0 3 362.386 2.429 10 5 FEBEHN CCOC(=O)c1cc(NC[C@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000121923504 326376343 /nfs/dbraw/zinc/37/63/43/326376343.db2.gz ZAEOCABMTHSJNM-AWEZNQCLSA-N 0 3 351.403 2.030 10 5 FEBEHN COc1cc([N+](=O)[O-])c(C(=O)N2CCN3CCC[C@@H]3C2)cc1SC ZINC000171480372 327142039 /nfs/dbraw/zinc/14/20/39/327142039.db2.gz GSMHEMFUZNRUCG-LLVKDONJSA-N 0 3 351.428 2.246 10 5 FEBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000175036792 327369858 /nfs/dbraw/zinc/36/98/58/327369858.db2.gz WNZNYMHNPNKKTJ-CRAIPNDOSA-N 0 3 369.425 2.479 10 5 FEBEHN COc1ccc(S(=O)(=O)NC[C@H]2CCCN2CC(C)C)cc1[N+](=O)[O-] ZINC000160302323 546028451 /nfs/dbraw/zinc/02/84/51/546028451.db2.gz MPXACGZHIZTFTM-CYBMUJFWSA-N 0 3 371.459 2.002 10 5 FEBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000245638853 548962486 /nfs/dbraw/zinc/96/24/86/548962486.db2.gz APXABNLNLVNCAN-DZGCQCFKSA-N 0 3 357.414 2.239 10 5 FEBEHN CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C[C@H](C)O ZINC000245735650 548985192 /nfs/dbraw/zinc/98/51/92/548985192.db2.gz KRUQOFVBIZRZBS-GXTWGEPZSA-N 0 3 373.400 2.473 10 5 FEBEHN CN(C)Cc1ccc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000114413887 325890172 /nfs/dbraw/zinc/89/01/72/325890172.db2.gz IYZVBPQPJPZMBW-UHFFFAOYSA-N 0 3 369.425 2.014 10 5 FEBEHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H](O)CN1CCCCC1 ZINC000174686220 327343646 /nfs/dbraw/zinc/34/36/46/327343646.db2.gz CKEQXTKLNMSRRH-ZDUSSCGKSA-N 0 3 369.393 2.169 10 5 FEBEHN Cc1cnn([C@H]2CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000247564811 549358525 /nfs/dbraw/zinc/35/85/25/549358525.db2.gz GKSOIRQEKWFYTN-DLBZAZTESA-N 0 3 360.414 2.177 10 5 FEBEHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1OC ZINC000155484462 545532274 /nfs/dbraw/zinc/53/22/74/545532274.db2.gz TVIAWXWNTVSNGG-GXTWGEPZSA-N 0 3 365.430 2.461 10 5 FEBEHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160305298 546028553 /nfs/dbraw/zinc/02/85/53/546028553.db2.gz LCOKVTVQLMMWEJ-CQSZACIVSA-N 0 3 371.459 2.002 10 5 FEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2CCCC[C@@H]2C1 ZINC000177754523 546681276 /nfs/dbraw/zinc/68/12/76/546681276.db2.gz CAOLZIFHUSJFHK-OAHLLOKOSA-N 0 3 362.430 2.102 10 5 FEBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000247012025 549263828 /nfs/dbraw/zinc/26/38/28/549263828.db2.gz HDYDWEPPLVWCFR-SUMWQHHRSA-N 0 3 357.414 2.239 10 5 FEBEHN Cc1cc(N2CCN(c3ccc(CN(C)C)cn3)CC2)ncc1[N+](=O)[O-] ZINC000301456546 553653117 /nfs/dbraw/zinc/65/31/17/553653117.db2.gz WUSHIZSIAMWJMI-UHFFFAOYSA-N 0 3 356.430 2.081 10 5 FEBEHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075481 543190881 /nfs/dbraw/zinc/19/08/81/543190881.db2.gz MAUSQAWKWCYPGV-MRXNPFEDSA-N 0 3 357.414 2.364 10 5 FEBEHN CCC[C@H](N)C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000151857494 544589540 /nfs/dbraw/zinc/58/95/40/544589540.db2.gz KDOIANNCYPSUQW-UONOGXRCSA-N 0 3 351.403 2.221 10 5 FEBEHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Br ZINC000174661314 327342107 /nfs/dbraw/zinc/34/21/07/327342107.db2.gz NYNXSATYLJNYQO-JQWIXIFHSA-N 0 3 369.219 2.266 10 5 FEBEHN CN1CCNC[C@@H]1c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000263182120 549883874 /nfs/dbraw/zinc/88/38/74/549883874.db2.gz GXJNIJJIVFLHEW-CYBMUJFWSA-N 0 3 372.410 2.344 10 5 FEBEHN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCN(CCn2cccn2)CC1 ZINC000109352779 325665976 /nfs/dbraw/zinc/66/59/76/325665976.db2.gz LFNHIKYMKZAHMC-UHFFFAOYSA-N 0 3 372.429 2.420 10 5 FEBEHN Cc1cnn(CCN[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000112552173 325790726 /nfs/dbraw/zinc/79/07/26/325790726.db2.gz SGTKQIJVDBNWFU-NSHDSACASA-N 0 3 351.794 2.370 10 5 FEBEHN Cc1c(Br)cc(C(=O)N2CC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000121683705 326357813 /nfs/dbraw/zinc/35/78/13/326357813.db2.gz FLSAUMALZRZGPJ-NSHDSACASA-N 0 3 356.220 2.442 10 5 FEBEHN Cc1ccc(NCCCNC(=O)N2CCN3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000172516149 327204940 /nfs/dbraw/zinc/20/49/40/327204940.db2.gz WMGGIXLFOQYILJ-HNNXBMFYSA-N 0 3 361.446 2.195 10 5 FEBEHN Cc1cc(N2CCC[C@@H](NC/C=C/c3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000173852511 327288866 /nfs/dbraw/zinc/28/88/66/327288866.db2.gz RANORQNTMZCYNJ-CDVVCGDMSA-N 0 3 369.425 2.435 10 5 FEBEHN CNc1cc(N2CCC[C@@H]2CNCc2ccc([N+](=O)[O-])cc2C)ncn1 ZINC000183471268 547666287 /nfs/dbraw/zinc/66/62/87/547666287.db2.gz PRPBOSLGIWSMQW-MRXNPFEDSA-N 0 3 356.430 2.494 10 5 FEBEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000245477147 548931172 /nfs/dbraw/zinc/93/11/72/548931172.db2.gz UETIFTRSVRNVBK-KGLIPLIRSA-N 0 3 364.446 2.347 10 5 FEBEHN CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1OC ZINC000247539855 549352451 /nfs/dbraw/zinc/35/24/51/549352451.db2.gz YHAPAJXGRBTAQX-CHWSQXEVSA-N 0 3 363.414 2.311 10 5 FEBEHN CN(C)Cc1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000114415575 325891136 /nfs/dbraw/zinc/89/11/36/325891136.db2.gz SKZMVBNWXCNWIX-UHFFFAOYSA-N 0 3 369.425 2.014 10 5 FEBEHN COc1cc(OCC(=O)N[C@H](CN(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000121379948 326334185 /nfs/dbraw/zinc/33/41/85/326334185.db2.gz FDIWUUCPBQBCGQ-MRXNPFEDSA-N 0 3 373.409 2.401 10 5 FEBEHN Cc1cccc(NC[C@@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000171650871 327151676 /nfs/dbraw/zinc/15/16/76/327151676.db2.gz XGPJJSCAEOGLNQ-AWEZNQCLSA-N 0 3 369.425 2.331 10 5 FEBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000175047144 327370631 /nfs/dbraw/zinc/37/06/31/327370631.db2.gz AOPCVVMUEBIZIN-JKSUJKDBSA-N 0 3 369.425 2.479 10 5 FEBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000159731029 545976839 /nfs/dbraw/zinc/97/68/39/545976839.db2.gz WFXWVYXGJISKGI-LSDHHAIUSA-N 0 3 369.425 2.479 10 5 FEBEHN CCOc1ccc(NC(=O)CN(C)C[C@H]2CCCN2CC)c([N+](=O)[O-])c1 ZINC000177705109 546671722 /nfs/dbraw/zinc/67/17/22/546671722.db2.gz DAPRSGLEWBBSKN-CQSZACIVSA-N 0 3 364.446 2.348 10 5 FEBEHN CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000120955975 671939388 /nfs/dbraw/zinc/93/93/88/671939388.db2.gz JXOFOWNETPTHAJ-CHWSQXEVSA-N 0 3 371.434 2.290 10 5 FEBEHN [NH3+]C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000237848671 672812742 /nfs/dbraw/zinc/81/27/42/672812742.db2.gz OJULECVESBFTBY-LDYMZIIASA-N 0 3 367.349 2.019 10 5 FEBEHN CCc1nccn1[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000106214254 543218495 /nfs/dbraw/zinc/21/84/95/543218495.db2.gz AVIOAAAZELECLD-SJORKVTESA-N 0 3 374.441 2.431 10 5 FEBEHN CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(CCn2cccn2)CC1 ZINC000109293224 543320390 /nfs/dbraw/zinc/32/03/90/543320390.db2.gz QVRWOFBGRGLFHE-UHFFFAOYSA-N 0 3 357.414 2.028 10 5 FEBEHN O=C(CCN1CC[C@H](Oc2cccnc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000152503025 544662103 /nfs/dbraw/zinc/66/21/03/544662103.db2.gz YIOMGOZFQREFFO-HNNXBMFYSA-N 0 3 356.382 2.472 10 5 FEBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247544625 549354200 /nfs/dbraw/zinc/35/42/00/549354200.db2.gz YSTSURRWMIDGFI-BBRMVZONSA-N 0 3 355.398 2.089 10 5 FEBEHN CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C[C@@H](C)O ZINC000120767774 326286249 /nfs/dbraw/zinc/28/62/49/326286249.db2.gz KRUQOFVBIZRZBS-OCCSQVGLSA-N 0 3 373.400 2.473 10 5 FEBEHN CS(=O)(=O)c1cccc(NC[C@@H]2NCCc3ccccc32)c1[N+](=O)[O-] ZINC000262259596 328854651 /nfs/dbraw/zinc/85/46/51/328854651.db2.gz QZBXUFQPPAFJEL-HNNXBMFYSA-N 0 3 361.423 2.297 10 5 FEBEHN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN2CCC[C@H]2C1 ZINC000195312585 548619620 /nfs/dbraw/zinc/61/96/20/548619620.db2.gz LZAJOPHFHNCFFZ-INIZCTEOSA-N 0 3 358.442 2.118 10 5 FEBEHN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1C[C@H](C)O ZINC000246215614 549080518 /nfs/dbraw/zinc/08/05/18/549080518.db2.gz PNZSXFSATBIODT-RYUDHWBXSA-N 0 3 359.373 2.478 10 5 FEBEHN Cc1cc(N2CCN(C[C@H](C)O)[C@H](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301220478 553632283 /nfs/dbraw/zinc/63/22/83/553632283.db2.gz BBRRPZZBYGIHBX-CABCVRRESA-N 0 3 371.441 2.252 10 5 FEBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067235498 541435114 /nfs/dbraw/zinc/43/51/14/541435114.db2.gz RWZLBQPNPRXSRH-AWEZNQCLSA-N 0 3 359.430 2.487 10 5 FEBEHN COc1cc(OCC(=O)N[C@@H](CC(C)C)CN(C)C)ccc1[N+](=O)[O-] ZINC000068894222 541637135 /nfs/dbraw/zinc/63/71/35/541637135.db2.gz SMIDBPGINKLIFR-ZDUSSCGKSA-N 0 3 353.419 2.075 10 5 FEBEHN O=C(CCN1CCC(Nc2cccnn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000106083035 543192238 /nfs/dbraw/zinc/19/22/38/543192238.db2.gz RKPGIPIFZPHBAA-UHFFFAOYSA-N 0 3 370.413 2.290 10 5 FEBEHN CCOCCN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1CC ZINC000137042837 544383573 /nfs/dbraw/zinc/38/35/73/544383573.db2.gz YSTJXSPUUVRYGY-AEFFLSMTSA-N 0 3 351.447 2.061 10 5 FEBEHN COc1cccc(N2CCN(c3ccc(CN(C)C)cn3)CC2)c1[N+](=O)[O-] ZINC000185376743 327913498 /nfs/dbraw/zinc/91/34/98/327913498.db2.gz AEHIXVYMIRPZED-UHFFFAOYSA-N 0 3 371.441 2.387 10 5 FEBEHN CCc1csc([C@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000173365580 327252343 /nfs/dbraw/zinc/25/23/43/327252343.db2.gz JLQUMAOWMJXJDG-WFASDCNBSA-N 0 3 365.459 2.051 10 5 FEBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000155640044 545553094 /nfs/dbraw/zinc/55/30/94/545553094.db2.gz HDYDWEPPLVWCFR-DYVFJYSZSA-N 0 3 357.414 2.239 10 5 FEBEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000176905407 546505419 /nfs/dbraw/zinc/50/54/19/546505419.db2.gz DOINCQYHGAIXBC-GFCCVEGCSA-N 0 3 368.821 2.129 10 5 FEBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000176965093 546516372 /nfs/dbraw/zinc/51/63/72/546516372.db2.gz HBYUSQDIPVSHQJ-OAHLLOKOSA-N 0 3 357.414 2.337 10 5 FEBEHN Cc1nccn1C[C@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000178295263 546770076 /nfs/dbraw/zinc/77/00/76/546770076.db2.gz WRYVWPAGGPZHLW-SJORKVTESA-N 0 3 360.414 2.004 10 5 FEBEHN O=[N+]([O-])c1ccc(OCCCN2CCCN(c3cccnn3)CC2)cc1 ZINC000106068758 543188234 /nfs/dbraw/zinc/18/82/34/543188234.db2.gz ZOGZJPWVMSXEJT-UHFFFAOYSA-N 0 3 357.414 2.366 10 5 FEBEHN COc1ccc(NC(=O)CCN2CCC([C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000111287524 543393010 /nfs/dbraw/zinc/39/30/10/543393010.db2.gz PBGMYOUKLIHESL-GFCCVEGCSA-N 0 3 351.403 2.025 10 5 FEBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134803649 544321963 /nfs/dbraw/zinc/32/19/63/544321963.db2.gz AISFRFNSKFMQEB-CQSZACIVSA-N 0 3 357.414 2.337 10 5 FEBEHN CCC[C@@H](N)C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000151857429 544589465 /nfs/dbraw/zinc/58/94/65/544589465.db2.gz KDOIANNCYPSUQW-KGLIPLIRSA-N 0 3 351.403 2.221 10 5 FEBEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000190509099 328212487 /nfs/dbraw/zinc/21/24/87/328212487.db2.gz YEWZKICHIFLWJR-HNNXBMFYSA-N 0 3 370.413 2.371 10 5 FEBEHN CN(C(=O)c1csc([N+](=O)[O-])c1)C1CCN(CCn2cccn2)CC1 ZINC000171934589 327171346 /nfs/dbraw/zinc/17/13/46/327171346.db2.gz SUPZBJUONHAHGI-UHFFFAOYSA-N 0 3 363.443 2.089 10 5 FEBEHN CCn1cnnc1C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000155420911 545523864 /nfs/dbraw/zinc/52/38/64/545523864.db2.gz KNDVUIHSRHORHR-UHFFFAOYSA-N 0 3 372.429 2.414 10 5 FEBEHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCN2CCC[C@H]2C1 ZINC000176298546 546429242 /nfs/dbraw/zinc/42/92/42/546429242.db2.gz JZDLQEXQDMNIHQ-ZDUSSCGKSA-N 0 3 368.231 2.206 10 5 FEBEHN CC[C@@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176687455 546476759 /nfs/dbraw/zinc/47/67/59/546476759.db2.gz QFWLEPRXUQVZPO-HZPDHXFCSA-N 0 3 350.419 2.018 10 5 FEBEHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000184483991 547834904 /nfs/dbraw/zinc/83/49/04/547834904.db2.gz OPSIZBPFLLZILL-AWEZNQCLSA-N 0 3 350.419 2.180 10 5 FEBEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@H]12 ZINC000186003204 548071595 /nfs/dbraw/zinc/07/15/95/548071595.db2.gz DROVJGIRQSNMKN-HZSPNIEDSA-N 0 3 365.434 2.026 10 5 FEBEHN Cc1nccn1C[C@@H]1CCCN1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245907356 549016290 /nfs/dbraw/zinc/01/62/90/549016290.db2.gz CPNVEEUXCHABQN-ROUUACIJSA-N 0 3 369.425 2.370 10 5 FEBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](CNc3ccccn3)C2)c1 ZINC000246088608 549048569 /nfs/dbraw/zinc/04/85/69/549048569.db2.gz FWGBSLISURQAQG-NVXWUHKLSA-N 0 3 372.425 2.164 10 5 FEBEHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN2CCC[C@H]2C1 ZINC000246209091 549078306 /nfs/dbraw/zinc/07/83/06/549078306.db2.gz AGSVNRJJUFXDNK-YPMHNXCESA-N 0 3 352.822 2.355 10 5 FEBEHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000106075483 543190431 /nfs/dbraw/zinc/19/04/31/543190431.db2.gz MAUSQAWKWCYPGV-INIZCTEOSA-N 0 3 357.414 2.364 10 5 FEBEHN CCOC(=O)c1cc(N2CCN(C[C@@H](C)O)[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000125496319 543885236 /nfs/dbraw/zinc/88/52/36/543885236.db2.gz GRJUHUNCZWUAPO-KGLIPLIRSA-N 0 3 365.430 2.053 10 5 FEBEHN CC(C)N1C[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[C@@H](C)C1 ZINC000134858119 544324222 /nfs/dbraw/zinc/32/42/22/544324222.db2.gz APXABNLNLVNCAN-ZFWWWQNUSA-N 0 3 357.414 2.239 10 5 FEBEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182705463 327785788 /nfs/dbraw/zinc/78/57/88/327785788.db2.gz YAPRWLALBADARQ-LLVKDONJSA-N 0 3 370.837 2.279 10 5 FEBEHN Cc1cnn([C@H]2CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000106222083 543220091 /nfs/dbraw/zinc/22/00/91/543220091.db2.gz GKSOIRQEKWFYTN-IRXDYDNUSA-N 0 3 360.414 2.177 10 5 FEBEHN CCOC(=O)c1cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000113226913 543478036 /nfs/dbraw/zinc/47/80/36/543478036.db2.gz AFWNMUOQTRUTRQ-WFASDCNBSA-N 0 3 361.398 2.080 10 5 FEBEHN CC(C)N(C)c1ccc(CN[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000191082033 328249064 /nfs/dbraw/zinc/24/90/64/328249064.db2.gz AXFHYNUKIQIUPL-PKOBYXMFSA-N 0 3 374.441 2.019 10 5 FEBEHN CCC[C@H](N)C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000151857352 326692970 /nfs/dbraw/zinc/69/29/70/326692970.db2.gz KDOIANNCYPSUQW-KBPBESRZSA-N 0 3 351.403 2.221 10 5 FEBEHN CN(C)C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000173142921 327237476 /nfs/dbraw/zinc/23/74/76/327237476.db2.gz OXPQNLAGUFQECN-INIZCTEOSA-N 0 3 356.426 2.450 10 5 FEBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175006551 327367543 /nfs/dbraw/zinc/36/75/43/327367543.db2.gz RGKGYUMYMPVYIJ-RHSMWYFYSA-N 0 3 369.425 2.479 10 5 FEBEHN Cc1nccn1C[C@@H]1CCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000178295251 546770222 /nfs/dbraw/zinc/77/02/22/546770222.db2.gz WRYVWPAGGPZHLW-IRXDYDNUSA-N 0 3 360.414 2.004 10 5 FEBEHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN2CCC[C@H]2C1 ZINC000246209083 549078770 /nfs/dbraw/zinc/07/87/70/549078770.db2.gz AGSVNRJJUFXDNK-AAEUAGOBSA-N 0 3 352.822 2.355 10 5 FEBEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@@H]12 ZINC000248564987 549458940 /nfs/dbraw/zinc/45/89/40/549458940.db2.gz DROVJGIRQSNMKN-MGPQQGTHSA-N 0 3 365.434 2.026 10 5 FEBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000068223983 541565648 /nfs/dbraw/zinc/56/56/48/541565648.db2.gz UZHZKLKCXAUTCS-CQSZACIVSA-N 0 3 359.430 2.487 10 5 FEBEHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106076178 543190998 /nfs/dbraw/zinc/19/09/98/543190998.db2.gz QFRRIUFDXFAQSJ-MRXNPFEDSA-N 0 3 357.414 2.364 10 5 FEBEHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1OC ZINC000247455116 549335885 /nfs/dbraw/zinc/33/58/85/549335885.db2.gz TVIAWXWNTVSNGG-TZMCWYRMSA-N 0 3 365.430 2.461 10 5 FEBEHN CN(C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000131526624 544193784 /nfs/dbraw/zinc/19/37/84/544193784.db2.gz IBXFJXJKEFICSI-ZDUSSCGKSA-N 0 3 361.320 2.016 10 5 FEBEHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000181386118 327727916 /nfs/dbraw/zinc/72/79/16/327727916.db2.gz UJZQZLPYUZSOJO-AWEZNQCLSA-N 0 3 367.471 2.498 10 5 FEBEHN CNc1cc(N2CCC[C@@H]2CNCc2ccc(C)c([N+](=O)[O-])c2)ncn1 ZINC000109069836 325657755 /nfs/dbraw/zinc/65/77/55/325657755.db2.gz YOEVCJRVQNGRAB-OAHLLOKOSA-N 0 3 356.430 2.494 10 5 FEBEHN Cc1ccc([N+](=O)[O-])c(N2CCN(c3ccc(CN(C)C)cn3)CC2)n1 ZINC000124862642 326461340 /nfs/dbraw/zinc/46/13/40/326461340.db2.gz HAFVHCAQQBJCHI-UHFFFAOYSA-N 0 3 356.430 2.081 10 5 FEBEHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1C[C@@H](C)O ZINC000174733340 327346726 /nfs/dbraw/zinc/34/67/26/327346726.db2.gz PNZSXFSATBIODT-VXGBXAGGSA-N 0 3 359.373 2.478 10 5 FEBEHN Cc1nccn1C[C@H]1CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000178745985 546843406 /nfs/dbraw/zinc/84/34/06/546843406.db2.gz YCWTYLHXMJTYOM-QGZVFWFLSA-N 0 3 369.425 2.153 10 5 FEBEHN CCc1nccn1[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246935505 549245294 /nfs/dbraw/zinc/24/52/94/549245294.db2.gz AVIOAAAZELECLD-IAGOWNOFSA-N 0 3 374.441 2.431 10 5 FEBEHN Cc1cc(NC[C@@H](C)N2CCN(C)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301225169 553632852 /nfs/dbraw/zinc/63/28/52/553632852.db2.gz FSTJNUHZJWPSQM-OAHLLOKOSA-N 0 3 370.457 2.408 10 5 FEBEHN CC(C)N(C)c1ccc(CN[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000191082054 328249177 /nfs/dbraw/zinc/24/91/77/328249177.db2.gz AXFHYNUKIQIUPL-IEBWSBKVSA-N 0 3 374.441 2.019 10 5 FEBEHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000127591520 326509140 /nfs/dbraw/zinc/50/91/40/326509140.db2.gz IRLIFDVIHJKGRM-CQSZACIVSA-N 0 3 350.419 2.180 10 5 FEBEHN CC(C)N1C[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000155640159 545553066 /nfs/dbraw/zinc/55/30/66/545553066.db2.gz HDYDWEPPLVWCFR-GUYCJALGSA-N 0 3 357.414 2.239 10 5 FEBEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@H]12 ZINC000186009929 548072779 /nfs/dbraw/zinc/07/27/79/548072779.db2.gz AIKFDJVMRJRBEP-VHDGCEQUSA-N 0 3 365.434 2.026 10 5 FEBEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000245477148 548930752 /nfs/dbraw/zinc/93/07/52/548930752.db2.gz UETIFTRSVRNVBK-ZIAGYGMSSA-N 0 3 364.446 2.347 10 5 FEBEHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN(C[C@H](C)O)[C@@H](CC)C1 ZINC000245474825 548931002 /nfs/dbraw/zinc/93/10/02/548931002.db2.gz RFVJWFJACCGTEQ-HOCLYGCPSA-N 0 3 351.447 2.271 10 5 FEBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247042553 549271623 /nfs/dbraw/zinc/27/16/23/549271623.db2.gz VJYPRQLTHQTKBF-YOEHRIQHSA-N 0 3 369.425 2.479 10 5 FEBEHN CCn1cnc2c1nc(NCCN(C)C)nc2Nc1cccc([N+](=O)[O-])c1 ZINC000028629283 539834513 /nfs/dbraw/zinc/83/45/13/539834513.db2.gz MVNJXLKSKABYOP-UHFFFAOYSA-N 0 3 370.417 2.472 10 5 FEBEHN COc1ccc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000106076061 543191045 /nfs/dbraw/zinc/19/10/45/543191045.db2.gz OLXOPUDMFYHEMI-OAHLLOKOSA-N 0 3 357.414 2.494 10 5 FEBEHN CCc1nccn1[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000106214258 543218762 /nfs/dbraw/zinc/21/87/62/543218762.db2.gz AVIOAAAZELECLD-IRXDYDNUSA-N 0 3 374.441 2.431 10 5 FEBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113227595 543478841 /nfs/dbraw/zinc/47/88/41/543478841.db2.gz SAUMKRNLTWGFNW-XJKSGUPXSA-N 0 3 355.398 2.089 10 5 FEBEHN Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)cc1[N+](=O)[O-] ZINC000129353625 544107160 /nfs/dbraw/zinc/10/71/60/544107160.db2.gz ZRDMFUJZPZKNKU-OAHLLOKOSA-N 0 3 362.430 2.078 10 5 FEBEHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000193272437 328366165 /nfs/dbraw/zinc/36/61/65/328366165.db2.gz YLQZAPCCWQHYTC-NSHDSACASA-N 0 3 361.851 2.225 10 5 FEBEHN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000176722893 546479960 /nfs/dbraw/zinc/47/99/60/546479960.db2.gz IODIKYUWJXGWQQ-GDBMZVCRSA-N 0 3 364.446 2.110 10 5 FEBEHN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN2CCC[C@@H]2C1 ZINC000195326020 548624075 /nfs/dbraw/zinc/62/40/75/548624075.db2.gz FMKBOPYWDATETB-MRXNPFEDSA-N 0 3 361.445 2.461 10 5 FEBEHN CCOCCN1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1CC ZINC000106117049 543202355 /nfs/dbraw/zinc/20/23/55/543202355.db2.gz YIMRWMGOLDLGKL-INIZCTEOSA-N 0 3 351.447 2.406 10 5 FEBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000113227349 543478045 /nfs/dbraw/zinc/47/80/45/543478045.db2.gz YSTSURRWMIDGFI-CZUORRHYSA-N 0 3 355.398 2.089 10 5 FEBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000113230080 543478657 /nfs/dbraw/zinc/47/86/57/543478657.db2.gz INXGVGUVWWYFAS-SUMWQHHRSA-N 0 3 355.398 2.089 10 5 FEBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000150776025 544469622 /nfs/dbraw/zinc/46/96/22/544469622.db2.gz KIHKTPRICICJDL-YGRLFVJLSA-N 0 3 368.821 2.032 10 5 FEBEHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000136871946 326656083 /nfs/dbraw/zinc/65/60/83/326656083.db2.gz LXSHCVQFQMOYSI-PXAZEXFGSA-N 0 3 364.423 2.383 10 5 FEBEHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCN2CCC[C@@H]2C1 ZINC000172291317 327192845 /nfs/dbraw/zinc/19/28/45/327192845.db2.gz CZFVLAAJDLJIRP-CYBMUJFWSA-N 0 3 353.806 2.324 10 5 FEBEHN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@H]1CNCCO1 ZINC000262327282 328859305 /nfs/dbraw/zinc/85/93/05/328859305.db2.gz RYLLUTGKYZSQKO-SNVBAGLBSA-N 0 3 367.203 2.306 10 5 FEBEHN Cc1c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000161326584 546119955 /nfs/dbraw/zinc/11/99/55/546119955.db2.gz JJHCPLCXMXLALW-HZMBPMFUSA-N 0 3 350.375 2.270 10 5 FEBEHN Cc1ccc([C@H](C)NC(=O)NC[C@@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000176722908 546479932 /nfs/dbraw/zinc/47/99/32/546479932.db2.gz IODIKYUWJXGWQQ-GOEBONIOSA-N 0 3 364.446 2.110 10 5 FEBEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000176965109 546516038 /nfs/dbraw/zinc/51/60/38/546516038.db2.gz HBYUSQDIPVSHQJ-HNNXBMFYSA-N 0 3 357.414 2.337 10 5 FEBEHN COc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000247090806 549281125 /nfs/dbraw/zinc/28/11/25/549281125.db2.gz JLUWXGNDQCPGKB-DGCLKSJQSA-N 0 3 351.403 2.071 10 5 FEBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000113230078 543478798 /nfs/dbraw/zinc/47/87/98/543478798.db2.gz INXGVGUVWWYFAS-CXAGYDPISA-N 0 3 355.398 2.089 10 5 FEBEHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(-n2ccnc2)c1 ZINC000189902874 328174996 /nfs/dbraw/zinc/17/49/96/328174996.db2.gz RPGNLPUQWJVPIC-AWEZNQCLSA-N 0 3 353.382 2.293 10 5 FEBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000159860750 545987128 /nfs/dbraw/zinc/98/71/28/545987128.db2.gz OHAPIPRTRNXHDL-SJLPKXTDSA-N 0 3 357.410 2.345 10 5 FEBEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184731515 547871995 /nfs/dbraw/zinc/87/19/95/547871995.db2.gz NYTTZGGVGGCCEZ-OAHLLOKOSA-N 0 3 355.460 2.135 10 5 FEBEHN Cc1nccn1C[C@H]1CCCN1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245907349 549016225 /nfs/dbraw/zinc/01/62/25/549016225.db2.gz CPNVEEUXCHABQN-MSOLQXFVSA-N 0 3 369.425 2.370 10 5 FEBEHN CCOC(=O)c1cc(N2CCN(C[C@H](C)O)[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000246080355 549047994 /nfs/dbraw/zinc/04/79/94/549047994.db2.gz GRJUHUNCZWUAPO-UONOGXRCSA-N 0 3 365.430 2.053 10 5 FEBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000246718809 549195634 /nfs/dbraw/zinc/19/56/34/549195634.db2.gz ABUFGFVNKSKCOU-DZGCQCFKSA-N 0 3 357.414 2.239 10 5 FEBEHN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@@H]2CNCCN2C)no1 ZINC000263310788 549894080 /nfs/dbraw/zinc/89/40/80/549894080.db2.gz YOUODDJTQIWJFS-CABZTGNLSA-N 0 3 367.793 2.347 10 5 FEBEHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000127591248 544001962 /nfs/dbraw/zinc/00/19/62/544001962.db2.gz IRLIFDVIHJKGRM-AWEZNQCLSA-N 0 3 350.419 2.180 10 5 FEBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000175035450 327369575 /nfs/dbraw/zinc/36/95/75/327369575.db2.gz VJYPRQLTHQTKBF-RHSMWYFYSA-N 0 3 369.425 2.479 10 5 FEBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000177005284 546522056 /nfs/dbraw/zinc/52/20/56/546522056.db2.gz VOFRXGNZTKQVMV-LBPRGKRZSA-N 0 3 350.375 2.368 10 5 FEBEHN CCOC(=O)c1cc(C(=O)N(C)C[C@H]2CCCN2CC)cc([N+](=O)[O-])c1 ZINC000177025571 546526266 /nfs/dbraw/zinc/52/62/66/546526266.db2.gz NVJXZONCZJAUCX-OAHLLOKOSA-N 0 3 363.414 2.328 10 5 FEBEHN COc1cc(CN2CCN3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000246224069 549083596 /nfs/dbraw/zinc/08/35/96/549083596.db2.gz BPTCXVKEJQSZDK-LBPRGKRZSA-N 0 3 357.357 2.485 10 5 FEBEHN CN(C)C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000180026048 327668506 /nfs/dbraw/zinc/66/85/06/327668506.db2.gz MEDFGPGVQVLMAG-AWEZNQCLSA-N 0 3 357.366 2.356 10 5 FEBEHN Cc1cc(N2CCO[C@@H](CN(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108951645 325654639 /nfs/dbraw/zinc/65/46/39/325654639.db2.gz MCAXPYHCXDUDLZ-INIZCTEOSA-N 0 3 357.414 2.127 10 5 FEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](c2cnn(C)c2)C1 ZINC000116316918 326005697 /nfs/dbraw/zinc/00/56/97/326005697.db2.gz XAVLXBZFUHIATH-CYBMUJFWSA-N 0 3 373.413 2.155 10 5 FEBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000175047127 327370743 /nfs/dbraw/zinc/37/07/43/327370743.db2.gz AOPCVVMUEBIZIN-HZPDHXFCSA-N 0 3 369.425 2.479 10 5 FEBEHN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NC[C@@H]1CNCCO1 ZINC000262327278 328859297 /nfs/dbraw/zinc/85/92/97/328859297.db2.gz RYLLUTGKYZSQKO-JTQLQIEISA-N 0 3 367.203 2.306 10 5 FEBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000177423829 546614831 /nfs/dbraw/zinc/61/48/31/546614831.db2.gz RWTRLCYSQRMJRR-ZDUSSCGKSA-N 0 3 350.375 2.368 10 5 FEBEHN Cn1cc([C@@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)cn1 ZINC000128660632 544064980 /nfs/dbraw/zinc/06/49/80/544064980.db2.gz HDNSFTAIDXAIDP-GFCCVEGCSA-N 0 3 361.377 2.286 10 5 FEBEHN O=C(CCN1CC[C@@H](Oc2cccnc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000152503121 544661438 /nfs/dbraw/zinc/66/14/38/544661438.db2.gz YIOMGOZFQREFFO-OAHLLOKOSA-N 0 3 356.382 2.472 10 5 FEBEHN Cc1c(F)cc(S(=O)(=O)NCc2ccc3c(c2)CNC3)cc1[N+](=O)[O-] ZINC000193429145 328374891 /nfs/dbraw/zinc/37/48/91/328374891.db2.gz PXHDHVNAOGNJSP-UHFFFAOYSA-N 0 3 365.386 2.124 10 5 FEBEHN CNc1cc(N2CCC[C@H]2CNCc2ccc(OC)c([N+](=O)[O-])c2)ncn1 ZINC000106469901 325599765 /nfs/dbraw/zinc/59/97/65/325599765.db2.gz WSNFYWVBPGRFAY-AWEZNQCLSA-N 0 3 372.429 2.194 10 5 FEBEHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000193946041 548411464 /nfs/dbraw/zinc/41/14/64/548411464.db2.gz IKKBOULWTVGCIG-AWEZNQCLSA-N 0 3 352.435 2.379 10 5 FEBEHN CCn1cc(C2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000195499158 548650289 /nfs/dbraw/zinc/65/02/89/548650289.db2.gz DXOQRYIHVDPHQY-SFHVURJKSA-N 0 3 374.441 2.431 10 5 FEBEHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000246088606 549048498 /nfs/dbraw/zinc/04/84/98/549048498.db2.gz FWGBSLISURQAQG-DOTOQJQBSA-N 0 3 372.425 2.164 10 5 FEBEHN CCn1cnnc1[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000103476393 543110537 /nfs/dbraw/zinc/11/05/37/543110537.db2.gz ZIJOEWBKKOMOLG-AWEZNQCLSA-N 0 3 372.429 2.414 10 5 FEBEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000112551873 543452125 /nfs/dbraw/zinc/45/21/25/543452125.db2.gz LUMBFGVXEINAKY-CHWSQXEVSA-N 0 3 372.429 2.241 10 5 FEBEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000121828133 543700483 /nfs/dbraw/zinc/70/04/83/543700483.db2.gz FSJCOXYTLGPXAN-LLVKDONJSA-N 0 3 370.837 2.279 10 5 FEBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000159730889 545976859 /nfs/dbraw/zinc/97/68/59/545976859.db2.gz WFXWVYXGJISKGI-HUUCEWRRSA-N 0 3 369.425 2.479 10 5 FEBEHN COc1ccc(S(=O)(=O)NC[C@H]2CCCN2CC(C)C)c([N+](=O)[O-])c1 ZINC000160278973 546026165 /nfs/dbraw/zinc/02/61/65/546026165.db2.gz OMRFRMIIXMNAAF-CYBMUJFWSA-N 0 3 371.459 2.002 10 5 FEBEHN O=[N+]([O-])c1cc(I)ccc1N1CCN2CCC[C@@H]2C1 ZINC000171939431 546230594 /nfs/dbraw/zinc/23/05/94/546230594.db2.gz JUDMXQFLCUOPTQ-LLVKDONJSA-N 0 3 373.194 2.484 10 5 FEBEHN CC[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000176689400 546476786 /nfs/dbraw/zinc/47/67/86/546476786.db2.gz LSBSQZUKXKEUBO-SJORKVTESA-N 0 3 364.446 2.192 10 5 FEBEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000176905468 546505304 /nfs/dbraw/zinc/50/53/04/546505304.db2.gz ZULPKXMHGRWUHQ-LBPRGKRZSA-N 0 3 368.821 2.129 10 5 FEBEHN Cc1nccn1C[C@H]1CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000178752795 546844831 /nfs/dbraw/zinc/84/48/31/546844831.db2.gz RISUMSLVTWHWSG-QGZVFWFLSA-N 0 3 357.414 2.227 10 5 FEBEHN CC[C@@H]1CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000184201880 547786151 /nfs/dbraw/zinc/78/61/51/547786151.db2.gz LNQGBXFOUXFRQB-TZMCWYRMSA-N 0 3 355.410 2.020 10 5 FEBEHN O=c1nc(C[N+]23CCN(CC2)CC3)[n-]c2scc(-c3ccccc3)c21 ZINC000007612979 717105332 /nfs/dbraw/zinc/10/53/32/717105332.db2.gz BSTILWQKDGEWSP-UHFFFAOYSA-O 0 3 353.471 2.298 10 5 FEBEHN COc1cc(F)c([N+](=O)[O-])c(N2CCCN(C3CCOCC3)CC2)c1 ZINC000080645848 542599106 /nfs/dbraw/zinc/59/91/06/542599106.db2.gz NJQIYBTXGOGBEJ-UHFFFAOYSA-N 0 3 353.394 2.434 10 5 FEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190575940 328217265 /nfs/dbraw/zinc/21/72/65/328217265.db2.gz IEIWFKZYHBHNNW-INIZCTEOSA-N 0 3 369.425 2.287 10 5 FEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](c2cnn(C)c2)C1 ZINC000116316921 326006086 /nfs/dbraw/zinc/00/60/86/326006086.db2.gz XAVLXBZFUHIATH-ZDUSSCGKSA-N 0 3 373.413 2.155 10 5 FEBEHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000160449357 326965966 /nfs/dbraw/zinc/96/59/66/326965966.db2.gz KIJAXVWMISMYPX-CYBMUJFWSA-N 0 3 353.444 2.109 10 5 FEBEHN Cc1cccc(NC[C@H]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000171650876 327151655 /nfs/dbraw/zinc/15/16/55/327151655.db2.gz XGPJJSCAEOGLNQ-CQSZACIVSA-N 0 3 369.425 2.331 10 5 FEBEHN CCOC(=O)c1cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000155335020 545513964 /nfs/dbraw/zinc/51/39/64/545513964.db2.gz QYVTUSUMOCDJBJ-LRDDRELGSA-N 0 3 363.414 2.230 10 5 FEBEHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000160495189 546046754 /nfs/dbraw/zinc/04/67/54/546046754.db2.gz IDVQURGUXDJCKN-MRXNPFEDSA-N 0 3 372.429 2.026 10 5 FEBEHN COC(=O)c1cc(C(=O)NC[C@H]2CCCN2CC(C)C)cc([N+](=O)[O-])c1 ZINC000160607050 546055873 /nfs/dbraw/zinc/05/58/73/546055873.db2.gz FZRBBZOAHBBOGO-OAHLLOKOSA-N 0 3 363.414 2.232 10 5 FEBEHN CC[C@@H](NC(=O)NC[C@@H]1CCCN1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000176183865 546417366 /nfs/dbraw/zinc/41/73/66/546417366.db2.gz HTJZFKFZBSHYLT-DLBZAZTESA-N 0 3 364.446 2.456 10 5 FEBEHN Cc1nc(C)n(C[C@@H]2CCCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000246334850 549108980 /nfs/dbraw/zinc/10/89/80/549108980.db2.gz TXBDFQMEIWDHMA-CRAIPNDOSA-N 0 3 359.430 2.249 10 5 FEBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247009761 549264464 /nfs/dbraw/zinc/26/44/64/549264464.db2.gz RGKGYUMYMPVYIJ-YOEHRIQHSA-N 0 3 369.425 2.479 10 5 FEBEHN CCc1nccn1[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248375329 549424063 /nfs/dbraw/zinc/42/40/63/549424063.db2.gz WIXCQFHATYIWKT-HZPDHXFCSA-N 0 3 374.441 2.431 10 5 FEBEHN O=[N+]([O-])c1ccc(CO)cc1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000302073955 553702783 /nfs/dbraw/zinc/70/27/83/553702783.db2.gz WXXCBWKZKUZBLW-IRXDYDNUSA-N 0 3 357.410 2.134 10 5 FEBEHN CCOCCN1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CC ZINC000106116766 543202779 /nfs/dbraw/zinc/20/27/79/543202779.db2.gz BDLDAOBJVCWZQY-INIZCTEOSA-N 0 3 351.447 2.406 10 5 FEBEHN Cc1cc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)ccc1[N+](=O)[O-] ZINC000109291901 543320792 /nfs/dbraw/zinc/32/07/92/543320792.db2.gz MQEKUYDZGMUEEX-UHFFFAOYSA-N 0 3 371.441 2.336 10 5 FEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](c2cnn(C)c2)C1 ZINC000116313517 326005904 /nfs/dbraw/zinc/00/59/04/326005904.db2.gz UCZAZRPVDJZLEP-ZDUSSCGKSA-N 0 3 373.413 2.155 10 5 FEBEHN COc1cc(OCC(=O)N[C@@H](CN(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000121379803 326334172 /nfs/dbraw/zinc/33/41/72/326334172.db2.gz FDIWUUCPBQBCGQ-INIZCTEOSA-N 0 3 373.409 2.401 10 5 FEBEHN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN2CCC[C@H]2C1 ZINC000172542555 327207316 /nfs/dbraw/zinc/20/73/16/327207316.db2.gz MCRSMKVLFZYJCY-NSHDSACASA-N 0 3 354.204 2.278 10 5 FEBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000159860621 545986981 /nfs/dbraw/zinc/98/69/81/545986981.db2.gz OHAPIPRTRNXHDL-WMZOPIPTSA-N 0 3 357.410 2.345 10 5 FEBEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000177707694 546671860 /nfs/dbraw/zinc/67/18/60/546671860.db2.gz DTDFNDNRJKDPSH-ZFWWWQNUSA-N 0 3 364.446 2.347 10 5 FEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2CCCC[C@@H]2C1 ZINC000177757936 546680764 /nfs/dbraw/zinc/68/07/64/546680764.db2.gz GIXKGTCHRYYBOH-OAHLLOKOSA-N 0 3 362.430 2.102 10 5 FEBEHN Cc1nccn1C[C@@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181956135 547412534 /nfs/dbraw/zinc/41/25/34/547412534.db2.gz RUYBJNGPLMAVEF-HOTGVXAUSA-N 0 3 360.414 2.004 10 5 FEBEHN CCc1csc([C@@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000246931365 549245334 /nfs/dbraw/zinc/24/53/34/549245334.db2.gz JLQUMAOWMJXJDG-IUODEOHRSA-N 0 3 365.459 2.051 10 5 FEBEHN CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000120956132 671939491 /nfs/dbraw/zinc/93/94/91/671939491.db2.gz JXOFOWNETPTHAJ-QWHCGFSZSA-N 0 3 371.434 2.290 10 5 FEBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247475159 549340678 /nfs/dbraw/zinc/34/06/78/549340678.db2.gz SAUMKRNLTWGFNW-CJNGLKHVSA-N 0 3 355.398 2.089 10 5 FEBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000150795842 544472713 /nfs/dbraw/zinc/47/27/13/544472713.db2.gz ZHSBJZBHWCGZLH-MFKMUULPSA-N 0 3 368.821 2.032 10 5 FEBEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000112551871 325790858 /nfs/dbraw/zinc/79/08/58/325790858.db2.gz LUMBFGVXEINAKY-STQMWFEESA-N 0 3 372.429 2.241 10 5 FEBEHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000133053445 326602337 /nfs/dbraw/zinc/60/23/37/326602337.db2.gz UDJHCCXBKOXFIO-CYBMUJFWSA-N 0 3 353.444 2.109 10 5 FEBEHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Br ZINC000174661327 327341929 /nfs/dbraw/zinc/34/19/29/327341929.db2.gz NYNXSATYLJNYQO-PWSUYJOCSA-N 0 3 369.219 2.266 10 5 FEBEHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000160449491 546042224 /nfs/dbraw/zinc/04/22/24/546042224.db2.gz KIJAXVWMISMYPX-ZDUSSCGKSA-N 0 3 353.444 2.109 10 5 FEBEHN Cc1nccn1C[C@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248465658 549446838 /nfs/dbraw/zinc/44/68/38/549446838.db2.gz RUYBJNGPLMAVEF-HZPDHXFCSA-N 0 3 360.414 2.004 10 5 FEBEHN CC[C@H]1CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000248621529 549469272 /nfs/dbraw/zinc/46/92/72/549469272.db2.gz LNQGBXFOUXFRQB-JSGCOSHPSA-N 0 3 355.410 2.020 10 5 FEBEHN CS(=O)(=O)c1ccc(NC[C@H]2NCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000262110743 549789383 /nfs/dbraw/zinc/78/93/83/549789383.db2.gz AWMGFGSWILYHKJ-MRXNPFEDSA-N 0 3 361.423 2.297 10 5 FEBEHN Cc1cc(N[C@@H](C)CN2CCN(C)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301170605 553627841 /nfs/dbraw/zinc/62/78/41/553627841.db2.gz DKYNBKJMSBNTKD-HNNXBMFYSA-N 0 3 370.457 2.408 10 5 FEBEHN O=[N+]([O-])c1ccc(CO)cc1NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000302073953 553702651 /nfs/dbraw/zinc/70/26/51/553702651.db2.gz WXXCBWKZKUZBLW-DLBZAZTESA-N 0 3 357.410 2.134 10 5 FEBEHN Cn1cc(CN2CCCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000106154379 543209359 /nfs/dbraw/zinc/20/93/59/543209359.db2.gz VLKDOPOIWHOSMP-UHFFFAOYSA-N 0 3 373.457 2.305 10 5 FEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC([C@@H](C)O)CC1 ZINC000111285443 543392581 /nfs/dbraw/zinc/39/25/81/543392581.db2.gz QOXUEGOLTVRWBY-GFCCVEGCSA-N 0 3 351.403 2.025 10 5 FEBEHN CN(C[C@@H]1CCN(C)C1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159108291 545923436 /nfs/dbraw/zinc/92/34/36/545923436.db2.gz IGZVHFUHQWCNNW-SNVBAGLBSA-N 0 3 356.220 2.381 10 5 FEBEHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)COCc3ccccc3)C2)nc1 ZINC000122274356 326390725 /nfs/dbraw/zinc/39/07/25/326390725.db2.gz GOSJQCQGXOQILC-AEFFLSMTSA-N 0 3 372.425 2.054 10 5 FEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](n2cncn2)C1 ZINC000171705407 327156400 /nfs/dbraw/zinc/15/64/00/327156400.db2.gz LQHFAVJNXOZSRJ-HNNXBMFYSA-N 0 3 358.402 2.160 10 5 FEBEHN Cc1ccc(NCCCNC(=O)N2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000172516147 327204896 /nfs/dbraw/zinc/20/48/96/327204896.db2.gz WMGGIXLFOQYILJ-OAHLLOKOSA-N 0 3 361.446 2.195 10 5 FEBEHN CCOc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000155681268 545558362 /nfs/dbraw/zinc/55/83/62/545558362.db2.gz RJCDNEOUPOHTCP-GXTWGEPZSA-N 0 3 365.430 2.461 10 5 FEBEHN CC[C@H]1CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000184201898 547786089 /nfs/dbraw/zinc/78/60/89/547786089.db2.gz LNQGBXFOUXFRQB-OCCSQVGLSA-N 0 3 355.410 2.020 10 5 FEBEHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000121431886 326338141 /nfs/dbraw/zinc/33/81/41/326338141.db2.gz XFFMMJIDMRCIFU-YGRLFVJLSA-N 0 3 369.219 2.266 10 5 FEBEHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN(C[C@@H](C)O)[C@@H](CC)C1 ZINC000175189293 327378823 /nfs/dbraw/zinc/37/88/23/327378823.db2.gz RFVJWFJACCGTEQ-ZBFHGGJFSA-N 0 3 351.447 2.271 10 5 FEBEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177040976 546529564 /nfs/dbraw/zinc/52/95/64/546529564.db2.gz QWYUIUWVFAWWED-INIZCTEOSA-N 0 3 357.414 2.337 10 5 FEBEHN Cc1nccn1C[C@@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248465659 549446166 /nfs/dbraw/zinc/44/61/66/549446166.db2.gz RUYBJNGPLMAVEF-JKSUJKDBSA-N 0 3 360.414 2.004 10 5 FEBEHN O=[N+]([O-])c1cc(I)ccc1N1CCN2CCC[C@H]2C1 ZINC000252440915 549664709 /nfs/dbraw/zinc/66/47/09/549664709.db2.gz JUDMXQFLCUOPTQ-NSHDSACASA-N 0 3 373.194 2.484 10 5 FEBEHN O=[N+]([O-])c1ccc(CO)cc1NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000302073954 553702756 /nfs/dbraw/zinc/70/27/56/553702756.db2.gz WXXCBWKZKUZBLW-IAGOWNOFSA-N 0 3 357.410 2.134 10 5 FEBEHN O=C(NC[C@@H](O)CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043341538 540098116 /nfs/dbraw/zinc/09/81/16/540098116.db2.gz ZUJSYTBGHBQFLZ-GFCCVEGCSA-N 0 3 356.810 2.217 10 5 FEBEHN CN(C)C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000109250003 543318858 /nfs/dbraw/zinc/31/88/58/543318858.db2.gz ZUFJUKMRCZWOHY-INIZCTEOSA-N 0 3 371.393 2.205 10 5 FEBEHN Cc1nc(C)n(C[C@H]2CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000137047625 544383913 /nfs/dbraw/zinc/38/39/13/544383913.db2.gz TXBDFQMEIWDHMA-YJBOKZPZSA-N 0 3 359.430 2.249 10 5 FEBEHN CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1OC ZINC000247539862 549352836 /nfs/dbraw/zinc/35/28/36/549352836.db2.gz YHAPAJXGRBTAQX-OLZOCXBDSA-N 0 3 363.414 2.311 10 5 FEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](c2cnn(C)c2)C1 ZINC000116315331 326005810 /nfs/dbraw/zinc/00/58/10/326005810.db2.gz IILPQLGFRFTGQO-AWEZNQCLSA-N 0 3 357.414 2.455 10 5 FEBEHN CS(=O)(=O)c1cc(N2CCC(N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000123855531 326443550 /nfs/dbraw/zinc/44/35/50/326443550.db2.gz QTFGJKDPXISSPB-UHFFFAOYSA-N 0 3 353.444 2.063 10 5 FEBEHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000136872000 326656108 /nfs/dbraw/zinc/65/61/08/326656108.db2.gz LXSHCVQFQMOYSI-YVEFUNNKSA-N 0 3 364.423 2.383 10 5 FEBEHN O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000174857396 327355666 /nfs/dbraw/zinc/35/56/66/327355666.db2.gz JMUOIKVUKVWEMF-MRXNPFEDSA-N 0 3 373.409 2.363 10 5 FEBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000157960042 545804789 /nfs/dbraw/zinc/80/47/89/545804789.db2.gz CIDDZTWODQQZAY-ZIAGYGMSSA-N 0 3 355.398 2.089 10 5 FEBEHN CCC[C@@H](C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])N(C)C ZINC000179284075 546925040 /nfs/dbraw/zinc/92/50/40/546925040.db2.gz NHKVLMZXXMVDTD-ZDUSSCGKSA-N 0 3 353.419 2.001 10 5 FEBEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@@H]21 ZINC000186003166 548071537 /nfs/dbraw/zinc/07/15/37/548071537.db2.gz DROVJGIRQSNMKN-MELADBBJSA-N 0 3 365.434 2.026 10 5 FEBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000247105006 549284289 /nfs/dbraw/zinc/28/42/89/549284289.db2.gz INXGVGUVWWYFAS-GUYCJALGSA-N 0 3 355.398 2.089 10 5 FEBEHN COc1ccc(CN(C)[C@H]2CCCN(c3cccnn3)C2)cc1[N+](=O)[O-] ZINC000106076063 543190967 /nfs/dbraw/zinc/19/09/67/543190967.db2.gz OLXOPUDMFYHEMI-HNNXBMFYSA-N 0 3 357.414 2.494 10 5 FEBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113227593 543478855 /nfs/dbraw/zinc/47/88/55/543478855.db2.gz SAUMKRNLTWGFNW-CZUORRHYSA-N 0 3 355.398 2.089 10 5 FEBEHN CCC[C@@H](N)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000236925164 328498355 /nfs/dbraw/zinc/49/83/55/328498355.db2.gz BIFZISAVVHOKIK-GFCCVEGCSA-N 0 3 374.363 2.390 10 5 FEBEHN CC(C)(C)c1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000160198525 326957216 /nfs/dbraw/zinc/95/72/16/326957216.db2.gz ZIFHHFWILYTBBI-HNNXBMFYSA-N 0 3 363.458 2.469 10 5 FEBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000171643519 327150805 /nfs/dbraw/zinc/15/08/05/327150805.db2.gz FWGBSLISURQAQG-RDJZCZTQSA-N 0 3 372.425 2.164 10 5 FEBEHN CC[C@@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])CCN1CCOC ZINC000173680653 327276165 /nfs/dbraw/zinc/27/61/65/327276165.db2.gz OLTVZIPLPZYTNM-OAHLLOKOSA-N 0 3 367.446 2.025 10 5 FEBEHN CC[C@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176687440 327470139 /nfs/dbraw/zinc/47/01/39/327470139.db2.gz QFWLEPRXUQVZPO-CVEARBPZSA-N 0 3 350.419 2.018 10 5 FEBEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000176905449 546505107 /nfs/dbraw/zinc/50/51/07/546505107.db2.gz ZULPKXMHGRWUHQ-GFCCVEGCSA-N 0 3 368.821 2.129 10 5 FEBEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000178745975 546843523 /nfs/dbraw/zinc/84/35/23/546843523.db2.gz YCWTYLHXMJTYOM-KRWDZBQOSA-N 0 3 369.425 2.153 10 5 FEBEHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000182535967 547509696 /nfs/dbraw/zinc/50/96/96/547509696.db2.gz DGTCULDPFDWCDD-AWEZNQCLSA-N 0 3 359.430 2.127 10 5 FEBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246387176 549121689 /nfs/dbraw/zinc/12/16/89/549121689.db2.gz KIHKTPRICICJDL-IINYFYTJSA-N 0 3 368.821 2.032 10 5 FEBEHN CCOC(=O)c1cc(C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000246752608 549204762 /nfs/dbraw/zinc/20/47/62/549204762.db2.gz AFWNMUOQTRUTRQ-IUODEOHRSA-N 0 3 361.398 2.080 10 5 FEBEHN CC[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCN1C[C@H](C)O ZINC000247805243 549382110 /nfs/dbraw/zinc/38/21/10/549382110.db2.gz SNBZTRSVAPMIGF-JKSUJKDBSA-N 0 3 351.447 2.141 10 5 FEBEHN CN1CCNC[C@H]1c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000263182121 549883820 /nfs/dbraw/zinc/88/38/20/549883820.db2.gz GXJNIJJIVFLHEW-ZDUSSCGKSA-N 0 3 372.410 2.344 10 5 FEBEHN Cc1cc(N2CCN(C[C@@H](C)O)[C@@H](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301220480 553632243 /nfs/dbraw/zinc/63/22/43/553632243.db2.gz BBRRPZZBYGIHBX-LSDHHAIUSA-N 0 3 371.441 2.252 10 5 FEBEHN COc1cc(NC[C@H](O)CN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301502069 553656322 /nfs/dbraw/zinc/65/63/22/553656322.db2.gz FHNGPIVRDXLKOW-KRWDZBQOSA-N 0 3 357.410 2.435 10 5 FEBEHN [NH3+]C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000238019160 672814863 /nfs/dbraw/zinc/81/48/63/672814863.db2.gz OJULECVESBFTBY-KWQFWETISA-N 0 3 367.349 2.019 10 5 FEBEHN Cc1ccc(N2CCCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000106071896 543188790 /nfs/dbraw/zinc/18/87/90/543188790.db2.gz KFMSGCQFPMQPLD-UHFFFAOYSA-N 0 3 357.414 2.284 10 5 FEBEHN CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCN(CCn2cccn2)CC1 ZINC000109352784 543322275 /nfs/dbraw/zinc/32/22/75/543322275.db2.gz JDAJQZPIHBLETR-UHFFFAOYSA-N 0 3 372.429 2.420 10 5 FEBEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000112551857 543452142 /nfs/dbraw/zinc/45/21/42/543452142.db2.gz RZFRCYQDWXHERJ-JSGCOSHPSA-N 0 3 372.429 2.241 10 5 FEBEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000112551860 543452163 /nfs/dbraw/zinc/45/21/63/543452163.db2.gz RZFRCYQDWXHERJ-OCCSQVGLSA-N 0 3 372.429 2.241 10 5 FEBEHN Cc1c(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000113222588 543477611 /nfs/dbraw/zinc/47/76/11/543477611.db2.gz XKTNXDDSPGIQCS-GXFFZTMASA-N 0 3 362.386 2.429 10 5 FEBEHN CN(C)C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000183039678 547590238 /nfs/dbraw/zinc/59/02/38/547590238.db2.gz CFEMUPXVMFCMAV-GFCCVEGCSA-N 0 3 373.862 2.129 10 5 FEBEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195265811 548606140 /nfs/dbraw/zinc/60/61/40/548606140.db2.gz WENAGCUIPSHBPG-AWEZNQCLSA-N 0 3 364.475 2.010 10 5 FEBEHN Cc1cnn([C@@H]2CCCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000248374356 549424026 /nfs/dbraw/zinc/42/40/26/549424026.db2.gz PTQQEINJZKVZBE-HZPDHXFCSA-N 0 3 360.414 2.177 10 5 FEBEHN CS(=O)(=O)c1ccc(NC[C@@H]2NCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000262110737 549789571 /nfs/dbraw/zinc/78/95/71/549789571.db2.gz AWMGFGSWILYHKJ-INIZCTEOSA-N 0 3 361.423 2.297 10 5 FEBEHN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000112551686 543452020 /nfs/dbraw/zinc/45/20/20/543452020.db2.gz ZATCKMGTCXMMBU-JSGCOSHPSA-N 0 3 372.429 2.241 10 5 FEBEHN CS(=O)(=O)c1cc(N2CCC[C@@H](N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000125347966 543876572 /nfs/dbraw/zinc/87/65/72/543876572.db2.gz PNMMJFZUBHJLOG-CQSZACIVSA-N 0 3 367.471 2.453 10 5 FEBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247544642 549353712 /nfs/dbraw/zinc/35/37/12/549353712.db2.gz YSTSURRWMIDGFI-CJNGLKHVSA-N 0 3 355.398 2.089 10 5 FEBEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000190638241 328221217 /nfs/dbraw/zinc/22/12/17/328221217.db2.gz PWTFIVWWJYQTSQ-HNNXBMFYSA-N 0 3 369.425 2.166 10 5 FEBEHN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]C2)c1 ZINC000193272448 328366297 /nfs/dbraw/zinc/36/62/97/328366297.db2.gz YLQZAPCCWQHYTC-LLVKDONJSA-N 0 3 361.851 2.225 10 5 FEBEHN COC(=O)c1cc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000102900015 325500700 /nfs/dbraw/zinc/50/07/00/325500700.db2.gz HBSWPURAQIWABH-KRWDZBQOSA-N 0 3 371.393 2.414 10 5 FEBEHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000121432030 326338359 /nfs/dbraw/zinc/33/83/59/326338359.db2.gz XFFMMJIDMRCIFU-IINYFYTJSA-N 0 3 369.219 2.266 10 5 FEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](n2cncn2)C1 ZINC000171705397 327156328 /nfs/dbraw/zinc/15/63/28/327156328.db2.gz DDRSMWWOWNIFFA-HNNXBMFYSA-N 0 3 358.402 2.160 10 5 FEBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175006572 327367522 /nfs/dbraw/zinc/36/75/22/327367522.db2.gz RGKGYUMYMPVYIJ-WMLDXEAASA-N 0 3 369.425 2.479 10 5 FEBEHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000175189274 327378985 /nfs/dbraw/zinc/37/89/85/327378985.db2.gz RFVJWFJACCGTEQ-GDBMZVCRSA-N 0 3 351.447 2.271 10 5 FEBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000176989415 546519124 /nfs/dbraw/zinc/51/91/24/546519124.db2.gz JPQHTQSXXZPEJU-KRWDZBQOSA-N 0 3 357.414 2.337 10 5 FEBEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000178752095 546844168 /nfs/dbraw/zinc/84/41/68/546844168.db2.gz XBSDKRJKMQBBNZ-KRWDZBQOSA-N 0 3 369.425 2.153 10 5 FEBEHN Cc1nccn1C[C@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181956156 547412439 /nfs/dbraw/zinc/41/24/39/547412439.db2.gz RUYBJNGPLMAVEF-CVEARBPZSA-N 0 3 360.414 2.004 10 5 FEBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000246829683 549223881 /nfs/dbraw/zinc/22/38/81/549223881.db2.gz AOPCVVMUEBIZIN-CVEARBPZSA-N 0 3 369.425 2.479 10 5 FEBEHN CN1CCNC[C@@H]1c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000263218833 549886736 /nfs/dbraw/zinc/88/67/36/549886736.db2.gz LMTFTMYVFKZHIG-CYBMUJFWSA-N 0 3 372.410 2.344 10 5 FEBEHN C[C@H]1CCCN1C1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301810300 553681552 /nfs/dbraw/zinc/68/15/52/553681552.db2.gz ZBKFFYUOCGWCSA-ZDUSSCGKSA-N 0 3 367.471 2.451 10 5 FEBEHN O=[N+]([O-])c1ccc(CO)cc1NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000302073956 553702718 /nfs/dbraw/zinc/70/27/18/553702718.db2.gz WXXCBWKZKUZBLW-SJORKVTESA-N 0 3 357.410 2.134 10 5 FEBEHN COC(=O)c1cc(C(=O)N[C@H](CC(C)C)CN(C)C)cc([N+](=O)[O-])c1 ZINC000068223048 221314479 /nfs/dbraw/zinc/31/44/79/221314479.db2.gz DKXGHCQOHHJRJV-CQSZACIVSA-N 0 3 351.403 2.088 10 5 FEBEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000150776050 544469779 /nfs/dbraw/zinc/46/97/79/544469779.db2.gz KIHKTPRICICJDL-HZMBPMFUSA-N 0 3 368.821 2.032 10 5 FEBEHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000180998564 327711668 /nfs/dbraw/zinc/71/16/68/327711668.db2.gz OPZGLWYXGVDSSE-AWEZNQCLSA-N 0 3 364.446 2.243 10 5 FEBEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121727632 326361684 /nfs/dbraw/zinc/36/16/84/326361684.db2.gz PEWNRBXCKYTWTF-AWEZNQCLSA-N 0 3 362.430 2.093 10 5 FEBEHN CN(C)C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000128155961 326518884 /nfs/dbraw/zinc/51/88/84/326518884.db2.gz VHRLTFOSIFRBCG-MRXNPFEDSA-N 0 3 362.455 2.481 10 5 FEBEHN Cc1c(NC(=O)CCN2CCC[C@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000171705445 327156475 /nfs/dbraw/zinc/15/64/75/327156475.db2.gz IZUKXTGWLIDVPO-AWEZNQCLSA-N 0 3 358.402 2.160 10 5 FEBEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000160291759 546027221 /nfs/dbraw/zinc/02/72/21/546027221.db2.gz QQOSPYOXZQGCJL-MRXNPFEDSA-N 0 3 355.460 2.135 10 5 FEBEHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000180998584 547226962 /nfs/dbraw/zinc/22/69/62/547226962.db2.gz OPZGLWYXGVDSSE-CQSZACIVSA-N 0 3 364.446 2.243 10 5 FEBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000247012011 549264296 /nfs/dbraw/zinc/26/42/96/549264296.db2.gz HDYDWEPPLVWCFR-CXAGYDPISA-N 0 3 357.414 2.239 10 5 FEBEHN CCOC(=O)c1cc(C(=O)N[C@H](CC(C)C)CN(C)C)cc([N+](=O)[O-])c1 ZINC000068222857 541565779 /nfs/dbraw/zinc/56/57/79/541565779.db2.gz GSCLHBIHXVUUCB-OAHLLOKOSA-N 0 3 365.430 2.478 10 5 FEBEHN CC[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCN1C[C@@H](C)O ZINC000106101419 543197270 /nfs/dbraw/zinc/19/72/70/543197270.db2.gz SNBZTRSVAPMIGF-HZPDHXFCSA-N 0 3 351.447 2.141 10 5 FEBEHN CCOCCN1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1CC ZINC000106116811 543202902 /nfs/dbraw/zinc/20/29/02/543202902.db2.gz BVATZZOZKNTELJ-MRXNPFEDSA-N 0 3 351.447 2.406 10 5 FEBEHN Cc1cnn([C@@H]2CCCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000106222081 543220289 /nfs/dbraw/zinc/22/02/89/543220289.db2.gz GKSOIRQEKWFYTN-SJORKVTESA-N 0 3 360.414 2.177 10 5 FEBEHN CC1(C)CN(c2ccc(I)cc2[N+](=O)[O-])CCN1 ZINC000212733703 328481844 /nfs/dbraw/zinc/48/18/44/328481844.db2.gz AOWMBBNNUBQUBR-UHFFFAOYSA-N 0 3 361.183 2.388 10 5 FEBEHN Cc1ccc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)cc1[N+](=O)[O-] ZINC000109292122 325664017 /nfs/dbraw/zinc/66/40/17/325664017.db2.gz SIEZXVUHFBMMBF-UHFFFAOYSA-N 0 3 371.441 2.336 10 5 FEBEHN CS(=O)(=O)c1cc(N2CCCC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000124904624 326462150 /nfs/dbraw/zinc/46/21/50/326462150.db2.gz AYFYAPNOCSMLBJ-OAHLLOKOSA-N 0 3 367.471 2.453 10 5 FEBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000157960178 545804493 /nfs/dbraw/zinc/80/44/93/545804493.db2.gz CIDDZTWODQQZAY-UONOGXRCSA-N 0 3 355.398 2.089 10 5 FEBEHN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN2CCC[C@@H]2C1 ZINC000195312576 548619745 /nfs/dbraw/zinc/61/97/45/548619745.db2.gz LZAJOPHFHNCFFZ-MRXNPFEDSA-N 0 3 358.442 2.118 10 5 FEBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247009745 549264477 /nfs/dbraw/zinc/26/44/77/549264477.db2.gz RGKGYUMYMPVYIJ-PBHICJAKSA-N 0 3 369.425 2.479 10 5 FEBEHN Cc1nccn1C[C@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247193606 549297431 /nfs/dbraw/zinc/29/74/31/549297431.db2.gz WRYVWPAGGPZHLW-IAGOWNOFSA-N 0 3 360.414 2.004 10 5 FEBEHN CC[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCN1CCOC ZINC000106113126 543200577 /nfs/dbraw/zinc/20/05/77/543200577.db2.gz HNBJLFADWLRWEI-INIZCTEOSA-N 0 3 351.447 2.406 10 5 FEBEHN O=C1[C@@H](N2CCC(c3ccn[nH]3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131728 543315054 /nfs/dbraw/zinc/31/50/54/543315054.db2.gz SZUQTMHAJIGKIH-KRWDZBQOSA-N 0 3 355.398 2.303 10 5 FEBEHN CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1OC ZINC000113230535 543478615 /nfs/dbraw/zinc/47/86/15/543478615.db2.gz YHAPAJXGRBTAQX-STQMWFEESA-N 0 3 363.414 2.311 10 5 FEBEHN CC(C)CN1CC[C@@H](CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000126074008 543916250 /nfs/dbraw/zinc/91/62/50/543916250.db2.gz LEJJWTSIHLCXEF-ZDUSSCGKSA-N 0 3 355.460 2.388 10 5 FEBEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000190668944 328223445 /nfs/dbraw/zinc/22/34/45/328223445.db2.gz TVSZYQSHBBRSKT-HNNXBMFYSA-N 0 3 369.425 2.166 10 5 FEBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000245916622 549018611 /nfs/dbraw/zinc/01/86/11/549018611.db2.gz WFXWVYXGJISKGI-CABCVRRESA-N 0 3 369.425 2.479 10 5 FEBEHN CCOCCN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247814374 549384825 /nfs/dbraw/zinc/38/48/25/549384825.db2.gz VVXFDCFACVLATO-MRXNPFEDSA-N 0 3 351.447 2.406 10 5 FEBEHN Cc1cc(N[C@H](C)CN2CCN(C)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301170611 553627935 /nfs/dbraw/zinc/62/79/35/553627935.db2.gz DKYNBKJMSBNTKD-OAHLLOKOSA-N 0 3 370.457 2.408 10 5 FEBEHN CCn1cnnc1[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000103476401 543110509 /nfs/dbraw/zinc/11/05/09/543110509.db2.gz NAHJQGVPHITFHA-AWEZNQCLSA-N 0 3 372.429 2.414 10 5 FEBEHN CC[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCN1CCOC ZINC000106113122 543201202 /nfs/dbraw/zinc/20/12/02/543201202.db2.gz HNBJLFADWLRWEI-MRXNPFEDSA-N 0 3 351.447 2.406 10 5 FEBEHN Cc1cnn(CCN[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000112552175 543452181 /nfs/dbraw/zinc/45/21/81/543452181.db2.gz SGTKQIJVDBNWFU-LLVKDONJSA-N 0 3 351.794 2.370 10 5 FEBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000113226085 543477735 /nfs/dbraw/zinc/47/77/35/543477735.db2.gz YXMUNPHETWVTPE-DZGCQCFKSA-N 0 3 355.398 2.089 10 5 FEBEHN COC(=O)[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000123188685 543747318 /nfs/dbraw/zinc/74/73/18/543747318.db2.gz FTULDKOZCHAURB-CQSZACIVSA-N 0 3 358.398 2.380 10 5 FEBEHN O=C(NC[C@H](O)CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043341536 324544415 /nfs/dbraw/zinc/54/44/15/324544415.db2.gz ZUJSYTBGHBQFLZ-LBPRGKRZSA-N 0 3 356.810 2.217 10 5 FEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](c2cnn(C)c2)C1 ZINC000116315335 326005481 /nfs/dbraw/zinc/00/54/81/326005481.db2.gz IILPQLGFRFTGQO-CQSZACIVSA-N 0 3 357.414 2.455 10 5 FEBEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121727466 326361543 /nfs/dbraw/zinc/36/15/43/326361543.db2.gz PEWNRBXCKYTWTF-CQSZACIVSA-N 0 3 362.430 2.093 10 5 FEBEHN CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121871149 326372909 /nfs/dbraw/zinc/37/29/09/326372909.db2.gz OTKDGIIBAIJTJA-GFCCVEGCSA-N 0 3 370.837 2.279 10 5 FEBEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000177701444 546669880 /nfs/dbraw/zinc/66/98/80/546669880.db2.gz UETIFTRSVRNVBK-KBPBESRZSA-N 0 3 364.446 2.347 10 5 FEBEHN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN2CCC[C@@H]2C1 ZINC000178314389 546774612 /nfs/dbraw/zinc/77/46/12/546774612.db2.gz FFBCMTLMEFRADL-GFCCVEGCSA-N 0 3 354.204 2.278 10 5 FEBEHN COc1cc(CN2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000178640491 546825731 /nfs/dbraw/zinc/82/57/31/546825731.db2.gz BPTCXVKEJQSZDK-GFCCVEGCSA-N 0 3 357.357 2.485 10 5 FEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN2CCCC[C@H]2C1 ZINC000248335001 549419576 /nfs/dbraw/zinc/41/95/76/549419576.db2.gz GIXKGTCHRYYBOH-HNNXBMFYSA-N 0 3 362.430 2.102 10 5 FEBEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000248552756 549455691 /nfs/dbraw/zinc/45/56/91/549455691.db2.gz AIKFDJVMRJRBEP-NWANDNLSSA-N 0 3 365.434 2.026 10 5 FEBEHN Cc1cc(N2CCC[C@@H](NC/C=C\c3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000255559948 549708032 /nfs/dbraw/zinc/70/80/32/549708032.db2.gz RANORQNTMZCYNJ-KQQSKNTNSA-N 0 3 369.425 2.435 10 5 FEBEHN CCOCCN1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1CC ZINC000106117046 543202740 /nfs/dbraw/zinc/20/27/40/543202740.db2.gz YIMRWMGOLDLGKL-MRXNPFEDSA-N 0 3 351.447 2.406 10 5 FEBEHN Cc1c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000113222585 543477718 /nfs/dbraw/zinc/47/77/18/543477718.db2.gz XKTNXDDSPGIQCS-GWCFXTLKSA-N 0 3 362.386 2.429 10 5 FEBEHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000136872049 544380340 /nfs/dbraw/zinc/38/03/40/544380340.db2.gz LXSHCVQFQMOYSI-SJKOYZFVSA-N 0 3 364.423 2.383 10 5 FEBEHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000136871897 544380542 /nfs/dbraw/zinc/38/05/42/544380542.db2.gz LXSHCVQFQMOYSI-SJCJKPOMSA-N 0 3 364.423 2.383 10 5 FEBEHN CCOCCN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1CC ZINC000137042876 544383287 /nfs/dbraw/zinc/38/32/87/544383287.db2.gz YSTJXSPUUVRYGY-WMZOPIPTSA-N 0 3 351.447 2.061 10 5 FEBEHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000109291431 325663813 /nfs/dbraw/zinc/66/38/13/325663813.db2.gz OMPGEOWHJFLIRA-UHFFFAOYSA-N 0 3 371.441 2.336 10 5 FEBEHN Cc1ccc([C@@H](C)NC(=O)NC[C@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000176722860 327472043 /nfs/dbraw/zinc/47/20/43/327472043.db2.gz IODIKYUWJXGWQQ-ZBFHGGJFSA-N 0 3 364.446 2.110 10 5 FEBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000155525804 545538583 /nfs/dbraw/zinc/53/85/83/545538583.db2.gz FZKSLDNPNWLTEA-DYVFJYSZSA-N 0 3 357.414 2.239 10 5 FEBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000177005267 546521999 /nfs/dbraw/zinc/52/19/99/546521999.db2.gz VOFRXGNZTKQVMV-GFCCVEGCSA-N 0 3 350.375 2.368 10 5 FEBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000182227797 547456823 /nfs/dbraw/zinc/45/68/23/547456823.db2.gz FKUCNAUIRRWRGC-CVEARBPZSA-N 0 3 372.425 2.164 10 5 FEBEHN CC[C@H](NC(=O)NC[C@H]1CCCN1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000090563819 325363915 /nfs/dbraw/zinc/36/39/15/325363915.db2.gz HTJZFKFZBSHYLT-SJORKVTESA-N 0 3 364.446 2.456 10 5 FEBEHN COc1ccc(NC(=O)CCN2CCC([C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000111287522 325712637 /nfs/dbraw/zinc/71/26/37/325712637.db2.gz PBGMYOUKLIHESL-LBPRGKRZSA-N 0 3 351.403 2.025 10 5 FEBEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182809750 547556157 /nfs/dbraw/zinc/55/61/57/547556157.db2.gz MSWRTTZCKRABAD-GFCCVEGCSA-N 0 3 368.821 2.129 10 5 FEBEHN CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000248028528 672853958 /nfs/dbraw/zinc/85/39/58/672853958.db2.gz JXOFOWNETPTHAJ-OLZOCXBDSA-N 0 3 371.434 2.290 10 5 FEBEHN CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C[C@@H](C)O ZINC000120767630 326286161 /nfs/dbraw/zinc/28/61/61/326286161.db2.gz KRUQOFVBIZRZBS-TZMCWYRMSA-N 0 3 373.400 2.473 10 5 FEBEHN CC[C@@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000176689414 327470160 /nfs/dbraw/zinc/47/01/60/327470160.db2.gz LSBSQZUKXKEUBO-IAGOWNOFSA-N 0 3 364.446 2.192 10 5 FEBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177040964 546529771 /nfs/dbraw/zinc/52/97/71/546529771.db2.gz QWYUIUWVFAWWED-MRXNPFEDSA-N 0 3 357.414 2.337 10 5 FEBEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000177381778 546605364 /nfs/dbraw/zinc/60/53/64/546605364.db2.gz MORFBKBVRFDRLV-HNNXBMFYSA-N 0 3 350.419 2.229 10 5 FEBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000245731521 548983569 /nfs/dbraw/zinc/98/35/69/548983569.db2.gz CIDDZTWODQQZAY-KGLIPLIRSA-N 0 3 355.398 2.089 10 5 FEBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000246995974 549260514 /nfs/dbraw/zinc/26/05/14/549260514.db2.gz GQSTUJBBTKYINH-SUMWQHHRSA-N 0 3 357.414 2.239 10 5 FEBEHN CCn1cnnc1[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000103476391 543109982 /nfs/dbraw/zinc/10/99/82/543109982.db2.gz ZIJOEWBKKOMOLG-CQSZACIVSA-N 0 3 372.429 2.414 10 5 FEBEHN Cc1cc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)cc([N+](=O)[O-])c1 ZINC000109291676 543320558 /nfs/dbraw/zinc/32/05/58/543320558.db2.gz WJSJSZJKCFSXLP-UHFFFAOYSA-N 0 3 371.441 2.336 10 5 FEBEHN Cc1c(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000247530144 549351634 /nfs/dbraw/zinc/35/16/34/549351634.db2.gz XKTNXDDSPGIQCS-MFKMUULPSA-N 0 3 362.386 2.429 10 5 FEBEHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H](O)COCc3ccccc3)C2)nc1 ZINC000122274121 326390673 /nfs/dbraw/zinc/39/06/73/326390673.db2.gz GOSJQCQGXOQILC-WMZOPIPTSA-N 0 3 372.425 2.054 10 5 FEBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000152914663 326719538 /nfs/dbraw/zinc/71/95/38/326719538.db2.gz DRCNTUYZCZIRFS-AWEZNQCLSA-N 0 3 359.430 2.487 10 5 FEBEHN Cc1cc(N2CCC[C@H](NC/C=C/c3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000173852498 327288868 /nfs/dbraw/zinc/28/88/68/327288868.db2.gz RANORQNTMZCYNJ-WHWKNOJMSA-N 0 3 369.425 2.435 10 5 FEBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000175036809 327369835 /nfs/dbraw/zinc/36/98/35/327369835.db2.gz WNZNYMHNPNKKTJ-MAUKXSAKSA-N 0 3 369.425 2.479 10 5 FEBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000159860492 545987455 /nfs/dbraw/zinc/98/74/55/545987455.db2.gz OHAPIPRTRNXHDL-FUHWJXTLSA-N 0 3 357.410 2.345 10 5 FEBEHN COc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000161300343 546117902 /nfs/dbraw/zinc/11/79/02/546117902.db2.gz JLUWXGNDQCPGKB-YPMHNXCESA-N 0 3 351.403 2.071 10 5 FEBEHN CN(C)C[C@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000183039694 547590586 /nfs/dbraw/zinc/59/05/86/547590586.db2.gz CFEMUPXVMFCMAV-LBPRGKRZSA-N 0 3 373.862 2.129 10 5 FEBEHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000184484011 547834893 /nfs/dbraw/zinc/83/48/93/547834893.db2.gz OPSIZBPFLLZILL-CQSZACIVSA-N 0 3 350.419 2.180 10 5 FEBEHN Cc1ncsc1CN(C)C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195251675 548604233 /nfs/dbraw/zinc/60/42/33/548604233.db2.gz DWDFTTJZOLZIBZ-CQSZACIVSA-N 0 3 364.475 2.010 10 5 FEBEHN COc1ccc(NC(=O)CN2CCC(c3ccn[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000195506737 548651900 /nfs/dbraw/zinc/65/19/00/548651900.db2.gz TWXKZZMPAOFALZ-UHFFFAOYSA-N 0 3 359.386 2.145 10 5 FEBEHN CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000106075673 543191040 /nfs/dbraw/zinc/19/10/40/543191040.db2.gz FQNQAWQMIRIJJQ-HNNXBMFYSA-N 0 3 357.414 2.364 10 5 FEBEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000112551689 543451757 /nfs/dbraw/zinc/45/17/57/543451757.db2.gz ZATCKMGTCXMMBU-OCCSQVGLSA-N 0 3 372.429 2.241 10 5 FEBEHN CCOC(=O)c1cc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000113226914 543477828 /nfs/dbraw/zinc/47/78/28/543477828.db2.gz AFWNMUOQTRUTRQ-SWLSCSKDSA-N 0 3 361.398 2.080 10 5 FEBEHN CN(C)C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000128156210 544035762 /nfs/dbraw/zinc/03/57/62/544035762.db2.gz VHRLTFOSIFRBCG-INIZCTEOSA-N 0 3 362.455 2.481 10 5 FEBEHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190575919 328217274 /nfs/dbraw/zinc/21/72/74/328217274.db2.gz IEIWFKZYHBHNNW-MRXNPFEDSA-N 0 3 369.425 2.287 10 5 FEBEHN COc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000161300431 546118054 /nfs/dbraw/zinc/11/80/54/546118054.db2.gz JLUWXGNDQCPGKB-AAEUAGOBSA-N 0 3 351.403 2.071 10 5 FEBEHN CC[C@@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176687488 546476844 /nfs/dbraw/zinc/47/68/44/546476844.db2.gz QFWLEPRXUQVZPO-JKSUJKDBSA-N 0 3 350.419 2.018 10 5 FEBEHN CCc1nccn1[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182239667 547459467 /nfs/dbraw/zinc/45/94/67/547459467.db2.gz WIXCQFHATYIWKT-HOTGVXAUSA-N 0 3 374.441 2.431 10 5 FEBEHN Cc1ncsc1CN(C)C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195265822 548606877 /nfs/dbraw/zinc/60/68/77/548606877.db2.gz WENAGCUIPSHBPG-CQSZACIVSA-N 0 3 364.475 2.010 10 5 FEBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000245638863 548963096 /nfs/dbraw/zinc/96/30/96/548963096.db2.gz APXABNLNLVNCAN-UKRRQHHQSA-N 0 3 357.414 2.239 10 5 FEBEHN CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(CCn2cccn2)CC1 ZINC000109129510 543314952 /nfs/dbraw/zinc/31/49/52/543314952.db2.gz SLJVBZTYCDEVTJ-UHFFFAOYSA-N 0 3 374.401 2.300 10 5 FEBEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000112551856 543451814 /nfs/dbraw/zinc/45/18/14/543451814.db2.gz RZFRCYQDWXHERJ-GXTWGEPZSA-N 0 3 372.429 2.241 10 5 FEBEHN CN(C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000131526423 544193987 /nfs/dbraw/zinc/19/39/87/544193987.db2.gz IBXFJXJKEFICSI-CYBMUJFWSA-N 0 3 361.320 2.016 10 5 FEBEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134803673 544322049 /nfs/dbraw/zinc/32/20/49/544322049.db2.gz AISFRFNSKFMQEB-AWEZNQCLSA-N 0 3 357.414 2.337 10 5 FEBEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000190638263 328221187 /nfs/dbraw/zinc/22/11/87/328221187.db2.gz PWTFIVWWJYQTSQ-OAHLLOKOSA-N 0 3 369.425 2.166 10 5 FEBEHN Cc1c(Br)cc(C(=O)N2CC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000121683891 326357788 /nfs/dbraw/zinc/35/77/88/326357788.db2.gz FLSAUMALZRZGPJ-LLVKDONJSA-N 0 3 356.220 2.442 10 5 FEBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000247547001 549354490 /nfs/dbraw/zinc/35/44/90/549354490.db2.gz YXMUNPHETWVTPE-HIFRSBDPSA-N 0 3 355.398 2.089 10 5 FEBEHN CCOC(=O)c1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000155334924 545514288 /nfs/dbraw/zinc/51/42/88/545514288.db2.gz QYVTUSUMOCDJBJ-BLLLJJGKSA-N 0 3 363.414 2.230 10 5 FEBEHN CCOc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000247405344 549330456 /nfs/dbraw/zinc/33/04/56/549330456.db2.gz RJCDNEOUPOHTCP-OCCSQVGLSA-N 0 3 365.430 2.461 10 5 FEBEHN CCOc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000247405349 549330471 /nfs/dbraw/zinc/33/04/71/549330471.db2.gz RJCDNEOUPOHTCP-TZMCWYRMSA-N 0 3 365.430 2.461 10 5 FEBEHN CCCC(=O)N[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000101563992 543033540 /nfs/dbraw/zinc/03/35/40/543033540.db2.gz KOFBUAZPTGYZBZ-OAHLLOKOSA-N 0 3 362.430 2.304 10 5 FEBEHN Cc1nc(C)n(C[C@@H]2CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000137047579 544384106 /nfs/dbraw/zinc/38/41/06/544384106.db2.gz TXBDFQMEIWDHMA-QAPCUYQASA-N 0 3 359.430 2.249 10 5 FEBEHN CCOC(=O)c1cc(NC[C@@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000121923666 326376308 /nfs/dbraw/zinc/37/63/08/326376308.db2.gz ZAEOCABMTHSJNM-CQSZACIVSA-N 0 3 351.403 2.030 10 5 FEBEHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)COCc3ccccc3)C2)nc1 ZINC000122278936 326390695 /nfs/dbraw/zinc/39/06/95/326390695.db2.gz GOSJQCQGXOQILC-SJLPKXTDSA-N 0 3 372.425 2.054 10 5 FEBEHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000159860866 545987208 /nfs/dbraw/zinc/98/72/08/545987208.db2.gz OHAPIPRTRNXHDL-AEFFLSMTSA-N 0 3 357.410 2.345 10 5 FEBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000177021433 546525717 /nfs/dbraw/zinc/52/57/17/546525717.db2.gz SNEPTFXIODZUPG-MRXNPFEDSA-N 0 3 357.414 2.337 10 5 FEBEHN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000193946057 548411346 /nfs/dbraw/zinc/41/13/46/548411346.db2.gz IKKBOULWTVGCIG-CQSZACIVSA-N 0 3 352.435 2.379 10 5 FEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(c2ccn[nH]2)CC1 ZINC000195506757 548652600 /nfs/dbraw/zinc/65/26/00/548652600.db2.gz SUCHKPVDUOSBNL-UHFFFAOYSA-N 0 3 359.386 2.145 10 5 FEBEHN Cc1nc(C)n(C[C@H]2CCCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000246334861 549108998 /nfs/dbraw/zinc/10/89/98/549108998.db2.gz TXBDFQMEIWDHMA-MAUKXSAKSA-N 0 3 359.430 2.249 10 5 FEBEHN CNc1cc(N2CCC[C@@H]2CNCc2ccc(OC)c([N+](=O)[O-])c2)ncn1 ZINC000106469897 543231360 /nfs/dbraw/zinc/23/13/60/543231360.db2.gz WSNFYWVBPGRFAY-CQSZACIVSA-N 0 3 372.429 2.194 10 5 FEBEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000113226084 543477556 /nfs/dbraw/zinc/47/75/56/543477556.db2.gz YXMUNPHETWVTPE-UKRRQHHQSA-N 0 3 355.398 2.089 10 5 FEBEHN CS(=O)(=O)c1cc(N2CCC[C@H](N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000125347815 543876380 /nfs/dbraw/zinc/87/63/80/543876380.db2.gz PNMMJFZUBHJLOG-AWEZNQCLSA-N 0 3 367.471 2.453 10 5 FEBEHN Cc1c(NC(=O)CCN2CC[C@H](c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000116318594 326007195 /nfs/dbraw/zinc/00/71/95/326007195.db2.gz YRYNZNQIWWGDDR-AWEZNQCLSA-N 0 3 357.414 2.455 10 5 FEBEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000245459892 548925771 /nfs/dbraw/zinc/92/57/71/548925771.db2.gz DTDFNDNRJKDPSH-HIFRSBDPSA-N 0 3 364.446 2.347 10 5 FEBEHN COc1ccc(NC(=O)CCN2CC[C@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000116319083 326007014 /nfs/dbraw/zinc/00/70/14/326007014.db2.gz IQHBTLSNIUIAQT-ZDUSSCGKSA-N 0 3 373.413 2.155 10 5 FEBEHN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCN2CCC[C@H]2C1 ZINC000172291325 327193023 /nfs/dbraw/zinc/19/30/23/327193023.db2.gz CZFVLAAJDLJIRP-ZDUSSCGKSA-N 0 3 353.806 2.324 10 5 FEBEHN COc1ccc(NC(=O)CCN2CCN3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000172803029 327220100 /nfs/dbraw/zinc/22/01/00/327220100.db2.gz VRKZZUMDICFYMA-CQSZACIVSA-N 0 3 362.430 2.102 10 5 FEBEHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@H](O)CN1CCCCC1 ZINC000174686231 327343581 /nfs/dbraw/zinc/34/35/81/327343581.db2.gz CKEQXTKLNMSRRH-CYBMUJFWSA-N 0 3 369.393 2.169 10 5 FEBEHN O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000174857407 327355627 /nfs/dbraw/zinc/35/56/27/327355627.db2.gz JMUOIKVUKVWEMF-INIZCTEOSA-N 0 3 373.409 2.363 10 5 FEBEHN O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCN2CCC[C@@H]2C1 ZINC000176298525 546429621 /nfs/dbraw/zinc/42/96/21/546429621.db2.gz JZDLQEXQDMNIHQ-CYBMUJFWSA-N 0 3 368.231 2.206 10 5 FEBEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000246968939 549254272 /nfs/dbraw/zinc/25/42/72/549254272.db2.gz FZKSLDNPNWLTEA-SUMWQHHRSA-N 0 3 357.414 2.239 10 5 FEBEHN O=[N+]([O-])c1c(NCCN2CCCCC2)ncnc1-n1nnc2ccccc21 ZINC000040622954 208258415 /nfs/dbraw/zinc/25/84/15/208258415.db2.gz RQQYQBGYKJLKIW-UHFFFAOYSA-N 0 3 368.401 2.017 10 5 FEBEHN CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1OC ZINC000113230537 543478533 /nfs/dbraw/zinc/47/85/33/543478533.db2.gz YHAPAJXGRBTAQX-QWHCGFSZSA-N 0 3 363.414 2.311 10 5 FEBEHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000133053619 544254152 /nfs/dbraw/zinc/25/41/52/544254152.db2.gz UDJHCCXBKOXFIO-ZDUSSCGKSA-N 0 3 353.444 2.109 10 5 FEBEHN CC[C@H](NC(=O)NC1CCN(CCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176001306 546388993 /nfs/dbraw/zinc/38/89/93/546388993.db2.gz CXRPLUIXBIKDBL-KRWDZBQOSA-N 0 3 364.446 2.456 10 5 FEBEHN O=C(CN1CCC(c2ccn[nH]2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000195505392 548651483 /nfs/dbraw/zinc/65/14/83/548651483.db2.gz SMEMTJSLNQYONQ-UHFFFAOYSA-N 0 3 355.398 2.087 10 5 FEBEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000245459893 548925825 /nfs/dbraw/zinc/92/58/25/548925825.db2.gz DTDFNDNRJKDPSH-UKRRQHHQSA-N 0 3 364.446 2.347 10 5 FEBEHN CC[C@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])CCN1CCOC ZINC000173680665 327276293 /nfs/dbraw/zinc/27/62/93/327276293.db2.gz OLTVZIPLPZYTNM-HNNXBMFYSA-N 0 3 367.446 2.025 10 5 FEBEHN CN(C[C@H]1CCN(C)C1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159108145 545923400 /nfs/dbraw/zinc/92/34/00/545923400.db2.gz IGZVHFUHQWCNNW-JTQLQIEISA-N 0 3 356.220 2.381 10 5 FEBEHN Cc1ncsc1CN(C)C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195251662 548604100 /nfs/dbraw/zinc/60/41/00/548604100.db2.gz DWDFTTJZOLZIBZ-AWEZNQCLSA-N 0 3 364.475 2.010 10 5 FEBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000246968909 549253917 /nfs/dbraw/zinc/25/39/17/549253917.db2.gz FZKSLDNPNWLTEA-CXAGYDPISA-N 0 3 357.414 2.239 10 5 FEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC([C@@H](C)O)CC1 ZINC000111287044 543392855 /nfs/dbraw/zinc/39/28/55/543392855.db2.gz RKZDQLGTFRLSMR-GFCCVEGCSA-N 0 3 351.403 2.025 10 5 FEBEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000112551869 543452107 /nfs/dbraw/zinc/45/21/07/543452107.db2.gz LUMBFGVXEINAKY-QWHCGFSZSA-N 0 3 372.429 2.241 10 5 FEBEHN CS(=O)(=O)c1cc(N2CCCC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000124904435 543850003 /nfs/dbraw/zinc/85/00/03/543850003.db2.gz AYFYAPNOCSMLBJ-HNNXBMFYSA-N 0 3 367.471 2.453 10 5 FEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCN1CC(C)C ZINC000129496835 544115485 /nfs/dbraw/zinc/11/54/85/544115485.db2.gz OTWFZFBDJGTVHT-OAHLLOKOSA-N 0 3 362.430 2.078 10 5 FEBEHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000137039256 544383416 /nfs/dbraw/zinc/38/34/16/544383416.db2.gz XHVBKNPKEYTMJF-IAGOWNOFSA-N 0 3 357.414 2.019 10 5 FEBEHN O=C(CCN1CC[C@H](Oc2cccnc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000154624455 544929255 /nfs/dbraw/zinc/92/92/55/544929255.db2.gz QDDGABRCKMJEHK-KRWDZBQOSA-N 0 3 356.382 2.472 10 5 FEBEHN O=C(CCN1CC[C@@H](Oc2cccnc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000154624341 544929705 /nfs/dbraw/zinc/92/97/05/544929705.db2.gz QDDGABRCKMJEHK-QGZVFWFLSA-N 0 3 356.382 2.472 10 5 FEBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000247547012 549353784 /nfs/dbraw/zinc/35/37/84/549353784.db2.gz YXMUNPHETWVTPE-ZFWWWQNUSA-N 0 3 355.398 2.089 10 5 FEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](c2cnn(C)c2)C1 ZINC000116313514 326005972 /nfs/dbraw/zinc/00/59/72/326005972.db2.gz UCZAZRPVDJZLEP-CYBMUJFWSA-N 0 3 373.413 2.155 10 5 FEBEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121870998 326372902 /nfs/dbraw/zinc/37/29/02/326372902.db2.gz OTKDGIIBAIJTJA-LBPRGKRZSA-N 0 3 370.837 2.279 10 5 FEBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000246532499 549154285 /nfs/dbraw/zinc/15/42/85/549154285.db2.gz IUVIGMPILSCGHM-STQMWFEESA-N 0 3 363.414 2.311 10 5 FEBEHN CCn1cnnc1[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000103476400 543110155 /nfs/dbraw/zinc/11/01/55/543110155.db2.gz NAHJQGVPHITFHA-CQSZACIVSA-N 0 3 372.429 2.414 10 5 FEBEHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000192823154 328341558 /nfs/dbraw/zinc/34/15/58/328341558.db2.gz YRXXTYNXMSKZOV-MRXNPFEDSA-N 0 3 358.446 2.473 10 5 FEBEHN C[C@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000193461384 328376662 /nfs/dbraw/zinc/37/66/62/328376662.db2.gz NGOGCGHCBKVYEU-LDYMZIIASA-N 0 3 367.349 2.032 10 5 FEBEHN CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCN(CCn2cccn2)CC1 ZINC000109293400 325664502 /nfs/dbraw/zinc/66/45/02/325664502.db2.gz AAKSFPIRQVSJNM-UHFFFAOYSA-N 0 3 357.414 2.028 10 5 FEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](c2cnn(C)c2)C1 ZINC000116322092 326006752 /nfs/dbraw/zinc/00/67/52/326006752.db2.gz BQBKYYWDRDYWFP-AWEZNQCLSA-N 0 3 357.414 2.455 10 5 FEBEHN COc1ccc(NC(=O)CCN2CC[C@@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000116319078 326007226 /nfs/dbraw/zinc/00/72/26/326007226.db2.gz IQHBTLSNIUIAQT-CYBMUJFWSA-N 0 3 373.413 2.155 10 5 FEBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000177423813 546615188 /nfs/dbraw/zinc/61/51/88/546615188.db2.gz RWTRLCYSQRMJRR-CYBMUJFWSA-N 0 3 350.375 2.368 10 5 FEBEHN Cc1cnn([C@@H]2CCCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000182240076 547459066 /nfs/dbraw/zinc/45/90/66/547459066.db2.gz PTQQEINJZKVZBE-CVEARBPZSA-N 0 3 360.414 2.177 10 5 FEBEHN Cc1nn(CCC(=O)N[C@@H](C)CN(C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000182523182 547507456 /nfs/dbraw/zinc/50/74/56/547507456.db2.gz QOJFKSGTGGPNRX-AWEZNQCLSA-N 0 3 373.457 2.435 10 5 FEBEHN CC(C)N1C[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000182828434 547558337 /nfs/dbraw/zinc/55/83/37/547558337.db2.gz HMIVLUHVIDCTLW-HZMBPMFUSA-N 0 3 368.821 2.032 10 5 FEBEHN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN2CCC[C@H]2C1 ZINC000195326029 548623475 /nfs/dbraw/zinc/62/34/75/548623475.db2.gz FMKBOPYWDATETB-INIZCTEOSA-N 0 3 361.445 2.461 10 5 FEBEHN COC[C@H](O)CN1CCC(Nc2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302839696 553735834 /nfs/dbraw/zinc/73/58/34/553735834.db2.gz ZMKDGEHIGVFSTF-CQSZACIVSA-N 0 3 357.838 2.440 10 5 FEBEHN CCc1cc(N2CCO[C@H](CN(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108951928 325654633 /nfs/dbraw/zinc/65/46/33/325654633.db2.gz ZTQVFYDWQQIOCC-QGZVFWFLSA-N 0 3 371.441 2.381 10 5 FEBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000117244028 326053181 /nfs/dbraw/zinc/05/31/81/326053181.db2.gz OXGXFNZVUUPPPM-LBPRGKRZSA-N 0 3 360.414 2.142 10 5 FEBEHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Br ZINC000174661338 327342065 /nfs/dbraw/zinc/34/20/65/327342065.db2.gz NYNXSATYLJNYQO-CMPLNLGQSA-N 0 3 369.219 2.266 10 5 FEBEHN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@@H]2CNCCN2C)no1 ZINC000263310790 328932075 /nfs/dbraw/zinc/93/20/75/328932075.db2.gz YOUODDJTQIWJFS-SKDRFNHKSA-N 0 3 367.793 2.347 10 5 FEBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000161382400 546125876 /nfs/dbraw/zinc/12/58/76/546125876.db2.gz GQSTUJBBTKYINH-DYVFJYSZSA-N 0 3 357.414 2.239 10 5 FEBEHN Cc1ccc([C@H](C)NC(=O)NC[C@H](O)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000176722875 546480160 /nfs/dbraw/zinc/48/01/60/546480160.db2.gz IODIKYUWJXGWQQ-HOCLYGCPSA-N 0 3 364.446 2.110 10 5 FEBEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000180197864 547066585 /nfs/dbraw/zinc/06/65/85/547066585.db2.gz CMCQNUQRRYDHGJ-QGZVFWFLSA-N 0 3 369.487 2.177 10 5 FEBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182828413 547558445 /nfs/dbraw/zinc/55/84/45/547558445.db2.gz HMIVLUHVIDCTLW-YGRLFVJLSA-N 0 3 368.821 2.032 10 5 FEBEHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185447349 547987181 /nfs/dbraw/zinc/98/71/81/547987181.db2.gz OKHPTNGESJZZQP-LBPRGKRZSA-N 0 3 366.443 2.152 10 5 FEBEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000186009884 548072652 /nfs/dbraw/zinc/07/26/52/548072652.db2.gz AIKFDJVMRJRBEP-AEGPPILISA-N 0 3 365.434 2.026 10 5 FEBEHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000246360903 549113920 /nfs/dbraw/zinc/11/39/20/549113920.db2.gz XHVBKNPKEYTMJF-IRXDYDNUSA-N 0 3 357.414 2.019 10 5 FEBEHN CCc1nccn1[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248375330 549424035 /nfs/dbraw/zinc/42/40/35/549424035.db2.gz WIXCQFHATYIWKT-JKSUJKDBSA-N 0 3 374.441 2.431 10 5 FEBEHN CN(C)[C@@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000301094095 553621136 /nfs/dbraw/zinc/62/11/36/553621136.db2.gz UQGVEBPGFXBYQL-OAHLLOKOSA-N 0 3 367.409 2.188 10 5 FEBEHN CCOC(=O)c1cc(C(=O)N[C@@H](CC(C)C)CN(C)C)cc([N+](=O)[O-])c1 ZINC000068222856 221314668 /nfs/dbraw/zinc/31/46/68/221314668.db2.gz GSCLHBIHXVUUCB-HNNXBMFYSA-N 0 3 365.430 2.478 10 5 FEBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247475158 549339724 /nfs/dbraw/zinc/33/97/24/549339724.db2.gz SAUMKRNLTWGFNW-BBRMVZONSA-N 0 3 355.398 2.089 10 5 FEBEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000134858097 544324175 /nfs/dbraw/zinc/32/41/75/544324175.db2.gz APXABNLNLVNCAN-HIFRSBDPSA-N 0 3 357.414 2.239 10 5 FEBEHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC([C@H](C)O)CC1 ZINC000111285441 325711716 /nfs/dbraw/zinc/71/17/16/325711716.db2.gz QOXUEGOLTVRWBY-LBPRGKRZSA-N 0 3 351.403 2.025 10 5 FEBEHN COc1cc(C(=O)NC[C@H]2CCCN2CC(C)C)c([N+](=O)[O-])cc1OC ZINC000119528384 326172322 /nfs/dbraw/zinc/17/23/22/326172322.db2.gz HMGISESDTDMOBT-CYBMUJFWSA-N 0 3 365.430 2.462 10 5 FEBEHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](n2cncn2)C1 ZINC000171705411 327156529 /nfs/dbraw/zinc/15/65/29/327156529.db2.gz LQHFAVJNXOZSRJ-OAHLLOKOSA-N 0 3 358.402 2.160 10 5 FEBEHN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1C[C@@H](C)O ZINC000174733356 327346784 /nfs/dbraw/zinc/34/67/84/327346784.db2.gz PNZSXFSATBIODT-NEPJUHHUSA-N 0 3 359.373 2.478 10 5 FEBEHN CC[C@@H](NC(=O)NC[C@H]1CCCN1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000176183882 546417524 /nfs/dbraw/zinc/41/75/24/546417524.db2.gz HTJZFKFZBSHYLT-IAGOWNOFSA-N 0 3 364.446 2.456 10 5 FEBEHN CCN1CCC[C@@H]1CN(C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000177381762 546605045 /nfs/dbraw/zinc/60/50/45/546605045.db2.gz MORFBKBVRFDRLV-OAHLLOKOSA-N 0 3 350.419 2.229 10 5 FEBEHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000248373004 549423556 /nfs/dbraw/zinc/42/35/56/549423556.db2.gz FKUCNAUIRRWRGC-JKSUJKDBSA-N 0 3 372.425 2.164 10 5 FEBEHN Cc1cnn([C@H]2CCCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)c1 ZINC000248374357 549423776 /nfs/dbraw/zinc/42/37/76/549423776.db2.gz PTQQEINJZKVZBE-JKSUJKDBSA-N 0 3 360.414 2.177 10 5 FEBEHN CCS(=O)(=O)N1CC(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000302582385 553722455 /nfs/dbraw/zinc/72/24/55/553722455.db2.gz UETWMDQDGPPKTO-UHFFFAOYSA-N 0 3 364.427 2.145 10 5 FEBEHN Cc1nn(CCC(=O)N[C@H](CN(C)C)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000102222103 543063083 /nfs/dbraw/zinc/06/30/83/543063083.db2.gz VRMSTXOGIXNAMG-MRXNPFEDSA-N 0 3 359.430 2.217 10 5 FEBEHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000137039216 544383386 /nfs/dbraw/zinc/38/33/86/544383386.db2.gz XHVBKNPKEYTMJF-SJORKVTESA-N 0 3 357.414 2.019 10 5 FEBEHN C[C@@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000193461397 328376780 /nfs/dbraw/zinc/37/67/80/328376780.db2.gz NGOGCGHCBKVYEU-GZMMTYOYSA-N 0 3 367.349 2.032 10 5 FEBEHN CCc1csc([C@@H]2CCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000173365565 327252293 /nfs/dbraw/zinc/25/22/93/327252293.db2.gz JLQUMAOWMJXJDG-DOMZBBRYSA-N 0 3 365.459 2.051 10 5 FEBEHN Cc1c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000161326464 546120170 /nfs/dbraw/zinc/12/01/70/546120170.db2.gz JJHCPLCXMXLALW-IINYFYTJSA-N 0 3 350.375 2.270 10 5 FEBEHN CCN1CCC[C@H]1CN(C)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000177028116 546526253 /nfs/dbraw/zinc/52/62/53/546526253.db2.gz QGJSIYWYYJZZHY-INIZCTEOSA-N 0 3 372.429 2.040 10 5 FEBEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000177039641 546529545 /nfs/dbraw/zinc/52/95/45/546529545.db2.gz PBBRBRDKQSDBIT-LBPRGKRZSA-N 0 3 351.403 2.168 10 5 FEBEHN O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN2CCC[C@H]2C1 ZINC000178314406 546774198 /nfs/dbraw/zinc/77/41/98/546774198.db2.gz FFBCMTLMEFRADL-LBPRGKRZSA-N 0 3 354.204 2.278 10 5 FEBEHN Cc1nccn1C[C@H]1CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000178752108 546844565 /nfs/dbraw/zinc/84/45/65/546844565.db2.gz XBSDKRJKMQBBNZ-QGZVFWFLSA-N 0 3 369.425 2.153 10 5 FEBEHN CCn1cc(C2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000182226803 547456772 /nfs/dbraw/zinc/45/67/72/547456772.db2.gz NGKXSTUNSVRILB-QGZVFWFLSA-N 0 3 374.441 2.431 10 5 FEBEHN CNc1cc(N2CCC[C@H]2CNCc2ccc([N+](=O)[O-])cc2C)ncn1 ZINC000183471250 547666591 /nfs/dbraw/zinc/66/65/91/547666591.db2.gz PRPBOSLGIWSMQW-INIZCTEOSA-N 0 3 356.430 2.494 10 5 FEBEHN Cc1cc(NC[C@H](C)N2CCN(C)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301225168 553632951 /nfs/dbraw/zinc/63/29/51/553632951.db2.gz FSTJNUHZJWPSQM-HNNXBMFYSA-N 0 3 370.457 2.408 10 5 FEBEHN Cc1nccn1C[C@H]1CCCN1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000154541458 544918879 /nfs/dbraw/zinc/91/88/79/544918879.db2.gz CPNVEEUXCHABQN-QZTJIDSGSA-N 0 3 369.425 2.370 10 5 FEBEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000190668966 328223475 /nfs/dbraw/zinc/22/34/75/328223475.db2.gz TVSZYQSHBBRSKT-OAHLLOKOSA-N 0 3 369.425 2.166 10 5 FEBEHN COC(=O)c1cc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000102900016 325500714 /nfs/dbraw/zinc/50/07/14/325500714.db2.gz HBSWPURAQIWABH-QGZVFWFLSA-N 0 3 371.393 2.414 10 5 FEBEHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000121432128 326338159 /nfs/dbraw/zinc/33/81/59/326338159.db2.gz XFFMMJIDMRCIFU-QMTHXVAHSA-N 0 3 369.219 2.266 10 5 FEBEHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1OC ZINC000155484568 545532348 /nfs/dbraw/zinc/53/23/48/545532348.db2.gz TVIAWXWNTVSNGG-JSGCOSHPSA-N 0 3 365.430 2.461 10 5 FEBEHN CCOc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000155681387 545557769 /nfs/dbraw/zinc/55/77/69/545557769.db2.gz RJCDNEOUPOHTCP-JSGCOSHPSA-N 0 3 365.430 2.461 10 5 FEBEHN CC[C@@H](NC(=O)NC1CCN(CCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176001326 546389061 /nfs/dbraw/zinc/38/90/61/546389061.db2.gz CXRPLUIXBIKDBL-QGZVFWFLSA-N 0 3 364.446 2.456 10 5 FEBEHN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN2CCC[C@@H]2C1 ZINC000178635698 546824352 /nfs/dbraw/zinc/82/43/52/546824352.db2.gz AGSVNRJJUFXDNK-WCQYABFASA-N 0 3 352.822 2.355 10 5 FEBEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000178752788 546844537 /nfs/dbraw/zinc/84/45/37/546844537.db2.gz RISUMSLVTWHWSG-KRWDZBQOSA-N 0 3 357.414 2.227 10 5 FEBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000247052507 549273544 /nfs/dbraw/zinc/27/35/44/549273544.db2.gz WNZNYMHNPNKKTJ-YJBOKZPZSA-N 0 3 369.425 2.479 10 5 FEBEHN COc1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000247090824 549281863 /nfs/dbraw/zinc/28/18/63/549281863.db2.gz JLUWXGNDQCPGKB-WCQYABFASA-N 0 3 351.403 2.071 10 5 FEBEHN CN(C)[C@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000301094092 553621357 /nfs/dbraw/zinc/62/13/57/553621357.db2.gz UQGVEBPGFXBYQL-HNNXBMFYSA-N 0 3 367.409 2.188 10 5 FEBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067235501 541434850 /nfs/dbraw/zinc/43/48/50/541434850.db2.gz RWZLBQPNPRXSRH-CQSZACIVSA-N 0 3 359.430 2.487 10 5 FEBEHN CCOC(=O)c1cc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247399663 549328783 /nfs/dbraw/zinc/32/87/83/549328783.db2.gz QYVTUSUMOCDJBJ-WBMJQRKESA-N 0 3 363.414 2.230 10 5 FEBEHN O=C(CCN1CCN2CCCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129085540 544090039 /nfs/dbraw/zinc/09/00/39/544090039.db2.gz BJTHBVXVSSZZJT-CQSZACIVSA-N 0 3 350.394 2.233 10 5 FEBEHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000192823178 328341553 /nfs/dbraw/zinc/34/15/53/328341553.db2.gz YRXXTYNXMSKZOV-INIZCTEOSA-N 0 3 358.446 2.473 10 5 FEBEHN [NH3+]C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000237806115 328529576 /nfs/dbraw/zinc/52/95/76/328529576.db2.gz OJULECVESBFTBY-KCJUWKMLSA-N 0 3 367.349 2.019 10 5 FEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](n2cncn2)C1 ZINC000171705402 327156299 /nfs/dbraw/zinc/15/62/99/327156299.db2.gz DDRSMWWOWNIFFA-OAHLLOKOSA-N 0 3 358.402 2.160 10 5 FEBEHN CN1CCNC[C@H]1c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000263218835 328926262 /nfs/dbraw/zinc/92/62/62/328926262.db2.gz LMTFTMYVFKZHIG-ZDUSSCGKSA-N 0 3 372.410 2.344 10 5 FEBEHN CCc1nccn1[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182239645 547459264 /nfs/dbraw/zinc/45/92/64/547459264.db2.gz WIXCQFHATYIWKT-CVEARBPZSA-N 0 3 374.441 2.431 10 5 FEBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000246718830 549195438 /nfs/dbraw/zinc/19/54/38/549195438.db2.gz ABUFGFVNKSKCOU-UKRRQHHQSA-N 0 3 357.414 2.239 10 5 FEBEHN Cc1nccn1C[C@@H]1CCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247193591 549296976 /nfs/dbraw/zinc/29/69/76/549296976.db2.gz WRYVWPAGGPZHLW-DLBZAZTESA-N 0 3 360.414 2.004 10 5 FEBEHN O=C(CCN1CCC(Nc2cccnn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000106082977 325578013 /nfs/dbraw/zinc/57/80/13/325578013.db2.gz SPMOMFJSIIEDBF-UHFFFAOYSA-N 0 3 370.413 2.290 10 5 FEBEHN CS(=O)(=O)c1cccc(NC[C@H]2NCCc3ccccc32)c1[N+](=O)[O-] ZINC000262259600 328854708 /nfs/dbraw/zinc/85/47/08/328854708.db2.gz QZBXUFQPPAFJEL-OAHLLOKOSA-N 0 3 361.423 2.297 10 5 FEBEHN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN2CCC[C@@H]2C1 ZINC000178635711 546824606 /nfs/dbraw/zinc/82/46/06/546824606.db2.gz AGSVNRJJUFXDNK-DGCLKSJQSA-N 0 3 352.822 2.355 10 5 FEBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000246829726 549223274 /nfs/dbraw/zinc/22/32/74/549223274.db2.gz AOPCVVMUEBIZIN-HOTGVXAUSA-N 0 3 369.425 2.479 10 5 FEBEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@H]21 ZINC000248564984 549458824 /nfs/dbraw/zinc/45/88/24/549458824.db2.gz DROVJGIRQSNMKN-BFHYXJOUSA-N 0 3 365.434 2.026 10 5 FEBEHN [NH3+]C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000238056335 672814743 /nfs/dbraw/zinc/81/47/43/672814743.db2.gz OJULECVESBFTBY-GZMMTYOYSA-N 0 3 367.349 2.019 10 5 FEBEHN O=c1nc(C[N+]23CCN(CC2)CC3)[n-]c2scc(-c3cccs3)c21 ZINC000007613087 717105277 /nfs/dbraw/zinc/10/52/77/717105277.db2.gz CHVXQIKMUOYRSN-UHFFFAOYSA-O 0 3 359.500 2.359 10 5 FEBEHN CC[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCN1C[C@@H](C)O ZINC000106101421 543197635 /nfs/dbraw/zinc/19/76/35/543197635.db2.gz SNBZTRSVAPMIGF-CVEARBPZSA-N 0 3 351.447 2.141 10 5 FEBEHN Cc1c(NC(=O)CCN2CC[C@@H](c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000116318599 326006456 /nfs/dbraw/zinc/00/64/56/326006456.db2.gz YRYNZNQIWWGDDR-CQSZACIVSA-N 0 3 357.414 2.455 10 5 FEBEHN CC[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCN1C[C@H](C)O ZINC000247805240 549381780 /nfs/dbraw/zinc/38/17/80/549381780.db2.gz SNBZTRSVAPMIGF-HOTGVXAUSA-N 0 3 351.447 2.141 10 5 FEBEHN O=C(CCN1CCN2CCCC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000249084985 549548147 /nfs/dbraw/zinc/54/81/47/549548147.db2.gz BJTHBVXVSSZZJT-AWEZNQCLSA-N 0 3 350.394 2.233 10 5 FEBEHN Cc1ccc(N2CCCN(CCOc3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000106072166 543189566 /nfs/dbraw/zinc/18/95/66/543189566.db2.gz NWHGIVDVWDJQOQ-UHFFFAOYSA-N 0 3 357.414 2.284 10 5 FEBEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000112551859 543452159 /nfs/dbraw/zinc/45/21/59/543452159.db2.gz RZFRCYQDWXHERJ-TZMCWYRMSA-N 0 3 372.429 2.241 10 5 FEBEHN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1OC ZINC000247455107 549336664 /nfs/dbraw/zinc/33/66/64/549336664.db2.gz TVIAWXWNTVSNGG-OCCSQVGLSA-N 0 3 365.430 2.461 10 5 FEBEHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(-n2ccnc2)c1 ZINC000189902892 328174871 /nfs/dbraw/zinc/17/48/71/328174871.db2.gz RPGNLPUQWJVPIC-CQSZACIVSA-N 0 3 353.382 2.293 10 5 FEBEHN Cc1c(C(=O)N(C)C2CCN(CCn3cccn3)CC2)cccc1[N+](=O)[O-] ZINC000109292147 325663808 /nfs/dbraw/zinc/66/38/08/325663808.db2.gz JCKVEVVATJHMRK-UHFFFAOYSA-N 0 3 371.441 2.336 10 5 FEBEHN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000112551684 325790669 /nfs/dbraw/zinc/79/06/69/325790669.db2.gz ZATCKMGTCXMMBU-GXTWGEPZSA-N 0 3 372.429 2.241 10 5 FEBEHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](CNc3ccccn3)C2)c1 ZINC000171643523 327150667 /nfs/dbraw/zinc/15/06/67/327150667.db2.gz FWGBSLISURQAQG-WBVHZDCISA-N 0 3 372.425 2.164 10 5 FEBEHN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN2CCC[C@@H]2C1 ZINC000172542552 327207222 /nfs/dbraw/zinc/20/72/22/327207222.db2.gz MCRSMKVLFZYJCY-LLVKDONJSA-N 0 3 354.204 2.278 10 5 FEBEHN CCOc1ccc(NC(=O)CN(C)C[C@@H]2CCCN2CC)c([N+](=O)[O-])c1 ZINC000177705123 546671487 /nfs/dbraw/zinc/67/14/87/546671487.db2.gz DAPRSGLEWBBSKN-AWEZNQCLSA-N 0 3 364.446 2.348 10 5 FEBEHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000179659740 546994251 /nfs/dbraw/zinc/99/42/51/546994251.db2.gz NPNNAZLNCLMYNH-CQSZACIVSA-N 0 3 365.455 2.254 10 5 FEBEHN CCc1nccn1[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246935478 549245323 /nfs/dbraw/zinc/24/53/23/549245323.db2.gz AVIOAAAZELECLD-DLBZAZTESA-N 0 3 374.441 2.431 10 5 FEBEHN CCCC(=O)N[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000101563995 543033246 /nfs/dbraw/zinc/03/32/46/543033246.db2.gz KOFBUAZPTGYZBZ-HNNXBMFYSA-N 0 3 362.430 2.304 10 5 FEBEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000121827994 543699880 /nfs/dbraw/zinc/69/98/80/543699880.db2.gz FSJCOXYTLGPXAN-NSHDSACASA-N 0 3 370.837 2.279 10 5 FEBEHN C[C@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000193461414 328376874 /nfs/dbraw/zinc/37/68/74/328376874.db2.gz NGOGCGHCBKVYEU-KCJUWKMLSA-N 0 3 367.349 2.032 10 5 FEBEHN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000112551874 325791072 /nfs/dbraw/zinc/79/10/72/325791072.db2.gz LUMBFGVXEINAKY-OLZOCXBDSA-N 0 3 372.429 2.241 10 5 FEBEHN CC(C)N1C[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C1 ZINC000155525881 545537799 /nfs/dbraw/zinc/53/77/99/545537799.db2.gz FZKSLDNPNWLTEA-GUYCJALGSA-N 0 3 357.414 2.239 10 5 FEBEHN CC[C@@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000176689382 546476744 /nfs/dbraw/zinc/47/67/44/546476744.db2.gz LSBSQZUKXKEUBO-DLBZAZTESA-N 0 3 364.446 2.192 10 5 FEBEHN CC(C)N1C[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000177203985 546570181 /nfs/dbraw/zinc/57/01/81/546570181.db2.gz ABUFGFVNKSKCOU-ZFWWWQNUSA-N 0 3 357.414 2.239 10 5 FEBEHN CN(C)C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000180026064 547040445 /nfs/dbraw/zinc/04/04/45/547040445.db2.gz MEDFGPGVQVLMAG-CQSZACIVSA-N 0 3 357.366 2.356 10 5 FEBEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000245916630 549018142 /nfs/dbraw/zinc/01/81/42/549018142.db2.gz WFXWVYXGJISKGI-GJZGRUSLSA-N 0 3 369.425 2.479 10 5 FEBEHN CCOC(=O)c1cc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000246752596 549204620 /nfs/dbraw/zinc/20/46/20/549204620.db2.gz AFWNMUOQTRUTRQ-DOMZBBRYSA-N 0 3 361.398 2.080 10 5 FEBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000246995962 549260144 /nfs/dbraw/zinc/26/01/44/549260144.db2.gz GQSTUJBBTKYINH-CXAGYDPISA-N 0 3 357.414 2.239 10 5 FEBEHN CC1CCC(N2CCN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC000301253992 553636361 /nfs/dbraw/zinc/63/63/61/553636361.db2.gz CZJYNFUZFDKRJM-UHFFFAOYSA-N 0 3 371.441 2.303 10 5 FEBEHN COC[C@@H](O)CN1CCC(Nc2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302839695 553735890 /nfs/dbraw/zinc/73/58/90/553735890.db2.gz ZMKDGEHIGVFSTF-AWEZNQCLSA-N 0 3 357.838 2.440 10 5 FEBEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000112551687 543451833 /nfs/dbraw/zinc/45/18/33/543451833.db2.gz ZATCKMGTCXMMBU-TZMCWYRMSA-N 0 3 372.429 2.241 10 5 FEBEHN COc1cc(C(=O)N[C@H](CC(C)C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000128930569 544081173 /nfs/dbraw/zinc/08/11/73/544081173.db2.gz WVDRNLZCJHMDBZ-GFCCVEGCSA-N 0 3 353.419 2.318 10 5 FEBEHN Cc1nn(CCC(=O)N[C@@H](CN(C)C)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000102222099 325489211 /nfs/dbraw/zinc/48/92/11/325489211.db2.gz VRMSTXOGIXNAMG-INIZCTEOSA-N 0 3 359.430 2.217 10 5 FEBEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000175436576 327392897 /nfs/dbraw/zinc/39/28/97/327392897.db2.gz IUVIGMPILSCGHM-QWHCGFSZSA-N 0 3 363.414 2.311 10 5 FEBEHN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000179659758 546994151 /nfs/dbraw/zinc/99/41/51/546994151.db2.gz NPNNAZLNCLMYNH-AWEZNQCLSA-N 0 3 365.455 2.254 10 5 FEBEHN CCn1cc(C2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000182226786 547457010 /nfs/dbraw/zinc/45/70/10/547457010.db2.gz NGKXSTUNSVRILB-KRWDZBQOSA-N 0 3 374.441 2.431 10 5 FEBEHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1C[C@H](C)O ZINC000246215608 549080752 /nfs/dbraw/zinc/08/07/52/549080752.db2.gz PNZSXFSATBIODT-NWDGAFQWSA-N 0 3 359.373 2.478 10 5 FEBEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000246387188 549121990 /nfs/dbraw/zinc/12/19/90/549121990.db2.gz KIHKTPRICICJDL-QMTHXVAHSA-N 0 3 368.821 2.032 10 5 FEBEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000247104984 549284174 /nfs/dbraw/zinc/28/41/74/549284174.db2.gz INXGVGUVWWYFAS-DYVFJYSZSA-N 0 3 355.398 2.089 10 5 FEBEHN C[C@@H]1CCCN1C1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000301810298 553681509 /nfs/dbraw/zinc/68/15/09/553681509.db2.gz ZBKFFYUOCGWCSA-CYBMUJFWSA-N 0 3 367.471 2.451 10 5 FEBEHN CN(C)C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000109250005 543319558 /nfs/dbraw/zinc/31/95/58/543319558.db2.gz ZUFJUKMRCZWOHY-MRXNPFEDSA-N 0 3 371.393 2.205 10 5 FEBEHN Cc1nccn1C[C@@H]1CCCN1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000154541338 544919101 /nfs/dbraw/zinc/91/91/01/544919101.db2.gz CPNVEEUXCHABQN-ZWKOTPCHSA-N 0 3 369.425 2.370 10 5 FEBEHN CCc1cc(N2CCO[C@@H](CN(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108951929 325654500 /nfs/dbraw/zinc/65/45/00/325654500.db2.gz ZTQVFYDWQQIOCC-KRWDZBQOSA-N 0 3 371.441 2.381 10 5 FEBEHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000121431750 326338261 /nfs/dbraw/zinc/33/82/61/326338261.db2.gz XFFMMJIDMRCIFU-HZMBPMFUSA-N 0 3 369.219 2.266 10 5 FEBEHN O=[N+]([O-])c1cncc(Br)c1NC[C@@H](O)CN1CCCCC1 ZINC000160586330 326970350 /nfs/dbraw/zinc/97/03/50/326970350.db2.gz SRAMWPFCNUHVAV-SNVBAGLBSA-N 0 3 359.224 2.011 10 5 FEBEHN COc1cc([N+](=O)[O-])c(C(=O)N2CCN3CCC[C@H]3C2)cc1SC ZINC000171480376 327142091 /nfs/dbraw/zinc/14/20/91/327142091.db2.gz GSMHEMFUZNRUCG-NSHDSACASA-N 0 3 351.428 2.246 10 5 FEBEHN Cc1c(NC(=O)CCN2CCC[C@@H](n3cncn3)C2)cccc1[N+](=O)[O-] ZINC000171705448 327156188 /nfs/dbraw/zinc/15/61/88/327156188.db2.gz IZUKXTGWLIDVPO-CQSZACIVSA-N 0 3 358.402 2.160 10 5 FEBEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000175436552 327392990 /nfs/dbraw/zinc/39/29/90/327392990.db2.gz IUVIGMPILSCGHM-CHWSQXEVSA-N 0 3 363.414 2.311 10 5 FEBEHN CC[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000176689367 327470188 /nfs/dbraw/zinc/47/01/88/327470188.db2.gz LSBSQZUKXKEUBO-IRXDYDNUSA-N 0 3 364.446 2.192 10 5 FEBEHN Cc1cnn([C@@H]2CCCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000247564816 549358918 /nfs/dbraw/zinc/35/89/18/549358918.db2.gz GKSOIRQEKWFYTN-IAGOWNOFSA-N 0 3 360.414 2.177 10 5 FEBEHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160272834 546025577 /nfs/dbraw/zinc/02/55/77/546025577.db2.gz LHUQXQFZYRQAFC-CQSZACIVSA-N 0 3 371.459 2.002 10 5 FEBEHN CCC[C@H](C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])N(C)C ZINC000179284088 546925231 /nfs/dbraw/zinc/92/52/31/546925231.db2.gz NHKVLMZXXMVDTD-CYBMUJFWSA-N 0 3 353.419 2.001 10 5 FEBEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000245731515 548984137 /nfs/dbraw/zinc/98/41/37/548984137.db2.gz CIDDZTWODQQZAY-KBPBESRZSA-N 0 3 355.398 2.089 10 5 FEBEHN COc1ccc(NC(=O)CCN2CCN3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246246132 549087477 /nfs/dbraw/zinc/08/74/77/549087477.db2.gz VRKZZUMDICFYMA-AWEZNQCLSA-N 0 3 362.430 2.102 10 5 FEBEHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000248373003 549424003 /nfs/dbraw/zinc/42/40/03/549424003.db2.gz FKUCNAUIRRWRGC-HOTGVXAUSA-N 0 3 372.425 2.164 10 5 FEBEHN Cc1c(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)cccc1[N+](=O)[O-] ZINC000129408253 544110684 /nfs/dbraw/zinc/11/06/84/544110684.db2.gz BLSIBWUEBCMTBL-CQSZACIVSA-N 0 3 362.430 2.078 10 5 FEBEHN CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182705450 327785781 /nfs/dbraw/zinc/78/57/81/327785781.db2.gz YAPRWLALBADARQ-NSHDSACASA-N 0 3 370.837 2.279 10 5 FEBEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000190509118 328212577 /nfs/dbraw/zinc/21/25/77/328212577.db2.gz YEWZKICHIFLWJR-OAHLLOKOSA-N 0 3 370.413 2.371 10 5 FEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC([C@H](C)O)CC1 ZINC000111287043 325712279 /nfs/dbraw/zinc/71/22/79/325712279.db2.gz RKZDQLGTFRLSMR-LBPRGKRZSA-N 0 3 351.403 2.025 10 5 FEBEHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](c2cnn(C)c2)C1 ZINC000116322098 326006534 /nfs/dbraw/zinc/00/65/34/326006534.db2.gz BQBKYYWDRDYWFP-CQSZACIVSA-N 0 3 357.414 2.455 10 5 FEBEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000160273243 546026134 /nfs/dbraw/zinc/02/61/34/546026134.db2.gz AKAUWISGLRFSFP-MRXNPFEDSA-N 0 3 355.460 2.135 10 5 FEBEHN CC(C)N1C[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)C1 ZINC000161382497 546125841 /nfs/dbraw/zinc/12/58/41/546125841.db2.gz GQSTUJBBTKYINH-GUYCJALGSA-N 0 3 357.414 2.239 10 5 FEBEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182809774 547556355 /nfs/dbraw/zinc/55/63/55/547556355.db2.gz MSWRTTZCKRABAD-LBPRGKRZSA-N 0 3 368.821 2.129 10 5 FEBEHN CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C[C@H](C)O ZINC000245735657 548984425 /nfs/dbraw/zinc/98/44/25/548984425.db2.gz KRUQOFVBIZRZBS-JSGCOSHPSA-N 0 3 373.400 2.473 10 5 FEBEHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000106076185 543191004 /nfs/dbraw/zinc/19/10/04/543191004.db2.gz QFRRIUFDXFAQSJ-INIZCTEOSA-N 0 3 357.414 2.364 10 5 FEBEHN CCOCCN1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CC ZINC000106116763 543202298 /nfs/dbraw/zinc/20/22/98/543202298.db2.gz BDLDAOBJVCWZQY-MRXNPFEDSA-N 0 3 351.447 2.406 10 5 FEBEHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000181386098 547305628 /nfs/dbraw/zinc/30/56/28/547305628.db2.gz UJZQZLPYUZSOJO-CQSZACIVSA-N 0 3 367.471 2.498 10 5 FEBEHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000245474823 548930607 /nfs/dbraw/zinc/93/06/07/548930607.db2.gz RFVJWFJACCGTEQ-GOEBONIOSA-N 0 3 351.447 2.271 10 5 FEBEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@@H]12 ZINC000248552752 549455872 /nfs/dbraw/zinc/45/58/72/549455872.db2.gz AIKFDJVMRJRBEP-BPLDGKMQSA-N 0 3 365.434 2.026 10 5 FEBEHN Cc1cc(N2CCN(C[C@H](C)O)[C@@H](C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301220479 553632348 /nfs/dbraw/zinc/63/23/48/553632348.db2.gz BBRRPZZBYGIHBX-GJZGRUSLSA-N 0 3 371.441 2.252 10 5 FEBEHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000068223981 221314683 /nfs/dbraw/zinc/31/46/83/221314683.db2.gz UZHZKLKCXAUTCS-AWEZNQCLSA-N 0 3 359.430 2.487 10 5 FEBEHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)(F)F)cc1 ZINC000174725021 546302422 /nfs/dbraw/zinc/30/24/22/546302422.db2.gz IPNNNXXFECNKGR-ZWNOBZJWSA-N 0 3 374.319 2.402 10 5 FEBEHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)(F)F)cc1 ZINC000174724999 546302558 /nfs/dbraw/zinc/30/25/58/546302558.db2.gz IPNNNXXFECNKGR-MFKMUULPSA-N 0 3 374.319 2.402 10 5 FEBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000246532488 549154675 /nfs/dbraw/zinc/15/46/75/549154675.db2.gz IUVIGMPILSCGHM-OLZOCXBDSA-N 0 3 363.414 2.311 10 5 FEBEHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000109293259 543320553 /nfs/dbraw/zinc/32/05/53/543320553.db2.gz DAIINWZEUZILKA-UHFFFAOYSA-N 0 3 371.441 2.336 10 5 FEBEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000113227352 543477638 /nfs/dbraw/zinc/47/76/38/543477638.db2.gz YSTSURRWMIDGFI-XJKSGUPXSA-N 0 3 355.398 2.089 10 5 FEBEHN Cc1cc(N2CCO[C@H](CN(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108951643 325654505 /nfs/dbraw/zinc/65/45/05/325654505.db2.gz MCAXPYHCXDUDLZ-MRXNPFEDSA-N 0 3 357.414 2.127 10 5 FEBEHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000117244031 326053082 /nfs/dbraw/zinc/05/30/82/326053082.db2.gz OXGXFNZVUUPPPM-GFCCVEGCSA-N 0 3 360.414 2.142 10 5 FEBEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000176905428 546505049 /nfs/dbraw/zinc/50/50/49/546505049.db2.gz DOINCQYHGAIXBC-LBPRGKRZSA-N 0 3 368.821 2.129 10 5 FEBEHN CCN1CCC[C@@H]1CN(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000176989400 546519519 /nfs/dbraw/zinc/51/95/19/546519519.db2.gz JPQHTQSXXZPEJU-QGZVFWFLSA-N 0 3 357.414 2.337 10 5 FEBEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000177707674 546671881 /nfs/dbraw/zinc/67/18/81/546671881.db2.gz DTDFNDNRJKDPSH-DZGCQCFKSA-N 0 3 364.446 2.347 10 5 FEBEHN CN(Cc1cccnc1)C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000195278940 548610843 /nfs/dbraw/zinc/61/08/43/548610843.db2.gz FSBHERBHLTVSTC-PXNSSMCTSA-N 0 3 370.453 2.477 10 5 FEBEHN CCOC(=O)c1cc(N2CCN(C[C@H](C)O)[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000246080353 549047759 /nfs/dbraw/zinc/04/77/59/549047759.db2.gz GRJUHUNCZWUAPO-KBPBESRZSA-N 0 3 365.430 2.053 10 5 FEBEHN CCc1csc([C@H]2CCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000246931393 549246161 /nfs/dbraw/zinc/24/61/61/549246161.db2.gz JLQUMAOWMJXJDG-SWLSCSKDSA-N 0 3 365.459 2.051 10 5 FEBEHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2CCCC[C@H]2C1 ZINC000248326734 549418909 /nfs/dbraw/zinc/41/89/09/549418909.db2.gz CAOLZIFHUSJFHK-HNNXBMFYSA-N 0 3 362.430 2.102 10 5 FEBEHN Cc1cc(N2CCC[C@H](NC/C=C\c3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000255559955 549707943 /nfs/dbraw/zinc/70/79/43/549707943.db2.gz RANORQNTMZCYNJ-SBSDFTTDSA-N 0 3 369.425 2.435 10 5 FEBEHN CCOC(=O)c1cc(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247399655 549328867 /nfs/dbraw/zinc/32/88/67/549328867.db2.gz QYVTUSUMOCDJBJ-MLGOLLRUSA-N 0 3 363.414 2.230 10 5 FEBEHN CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075668 543190920 /nfs/dbraw/zinc/19/09/20/543190920.db2.gz FQNQAWQMIRIJJQ-OAHLLOKOSA-N 0 3 357.414 2.364 10 5 FEBEHN CN(C)Cc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000114414785 543514560 /nfs/dbraw/zinc/51/45/60/543514560.db2.gz GTVXRVRSMVNHQL-UHFFFAOYSA-N 0 3 369.425 2.014 10 5 FEBEHN CCOC(=O)c1cc(N2CCN(C[C@@H](C)O)[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000125496120 543885154 /nfs/dbraw/zinc/88/51/54/543885154.db2.gz GRJUHUNCZWUAPO-ZIAGYGMSSA-N 0 3 365.430 2.053 10 5 FEBEHN CCC[C@@H](N)C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000151857577 544589108 /nfs/dbraw/zinc/58/91/08/544589108.db2.gz KDOIANNCYPSUQW-ZIAGYGMSSA-N 0 3 351.403 2.221 10 5 FEBEHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000165383576 327077891 /nfs/dbraw/zinc/07/78/91/327077891.db2.gz BCSQYKHTZSGMFD-MRXNPFEDSA-N 0 3 369.487 2.177 10 5 FEBEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000177021451 546525325 /nfs/dbraw/zinc/52/53/25/546525325.db2.gz SNEPTFXIODZUPG-INIZCTEOSA-N 0 3 357.414 2.337 10 5 FEBEHN CCOC(=O)c1cc(C(=O)N(C)C[C@@H]2CCCN2CC)cc([N+](=O)[O-])c1 ZINC000177025589 546526176 /nfs/dbraw/zinc/52/61/76/546526176.db2.gz NVJXZONCZJAUCX-HNNXBMFYSA-N 0 3 363.414 2.328 10 5 FEBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247042531 549271351 /nfs/dbraw/zinc/27/13/51/549271351.db2.gz VJYPRQLTHQTKBF-PBHICJAKSA-N 0 3 369.425 2.479 10 5 FEBEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000247052477 549272838 /nfs/dbraw/zinc/27/28/38/549272838.db2.gz WNZNYMHNPNKKTJ-QAPCUYQASA-N 0 3 369.425 2.479 10 5 FEBEHN