smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(Br)c(CN[C@H](CO)C2CC2)c1 ZINC001333327031 1150034489 /nfs/dbraw/zinc/03/44/89/1150034489.db2.gz JTNPTCFAHZLTGY-GFCCVEGCSA-N 0 1 315.167 2.218 20 5 DEBDMN O=C1NC(=O)[C@H](Nc2nc(Cl)cc(Cl)c2[N+](=O)[O-])S1 ZINC001155844316 784745177 /nfs/dbraw/zinc/74/51/77/784745177.db2.gz YSNXZBOJIYUWOZ-SSDOTTSWSA-N 0 1 323.117 2.018 20 5 DEBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCO[C@H](COc3ccccc3)C2)C1 ZINC001169036079 785010997 /nfs/dbraw/zinc/01/09/97/785010997.db2.gz FGFGWXYJLWEZDS-VYDXJSESSA-N 0 1 320.389 2.212 20 5 DEBDMN CC(C)(C)CC(=O)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169050417 785021495 /nfs/dbraw/zinc/02/14/95/785021495.db2.gz ZLBMNJXNEXWTFL-UONOGXRCSA-N 0 1 311.426 2.012 20 5 DEBDMN CN(CCCNc1cccc(F)c1[N+](=O)[O-])C(=O)c1ccn[nH]1 ZINC001109371007 785826996 /nfs/dbraw/zinc/82/69/96/785826996.db2.gz 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O=C1NC(=O)[C@@H](Nc2ncc(F)c3cc([N+](=O)[O-])ccc23)S1 ZINC001163666038 799400017 /nfs/dbraw/zinc/40/00/17/799400017.db2.gz QURWDNJZJCIOIH-NSHDSACASA-N 0 1 322.277 2.003 20 5 DEBDMN O=C1NCCC2(CCN(Cc3ccccc3[N+](=O)[O-])CC2)O1 ZINC000932758181 799924386 /nfs/dbraw/zinc/92/43/86/799924386.db2.gz ILFHLEGDRUKKAE-UHFFFAOYSA-N 0 1 305.334 2.059 20 5 DEBDMN CC(CC(=O)OC(C)C)=Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC001166728238 799933786 /nfs/dbraw/zinc/93/37/86/799933786.db2.gz ATQOPFDWEICDFZ-DAXSKMNVSA-N 0 1 300.702 2.306 20 5 DEBDMN Cc1cc(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3C)cc(C)c1[N+](=O)[O-] ZINC001229466381 801281593 /nfs/dbraw/zinc/28/15/93/801281593.db2.gz NEHKOGYBYRJEOM-NILFDRSVSA-N 0 1 304.346 2.395 20 5 DEBDMN CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CN2CCC1CC2 ZINC001230245698 801375206 /nfs/dbraw/zinc/37/52/06/801375206.db2.gz BNUAGFVRQNLKQH-HNNXBMFYSA-N 0 1 305.334 2.026 20 5 DEBDMN CO[C@@H](C)CO[C@@H](C)COc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230600835 801433744 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C[C@H](O[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C)c1cccc([N+](=O)[O-])c1 ZINC001223432930 802789263 /nfs/dbraw/zinc/78/92/63/802789263.db2.gz XYLOVDQLXTWAMZ-SQWYCQTGSA-N 0 1 304.346 2.477 20 5 DEBDMN C[C@H](O[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C)c1ccc([N+](=O)[O-])cc1 ZINC001224026659 802830899 /nfs/dbraw/zinc/83/08/99/802830899.db2.gz RJBGLYIEOPYMCD-SQWYCQTGSA-N 0 1 304.346 2.477 20 5 DEBDMN CCCOC[C@H](C)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095009 803200511 /nfs/dbraw/zinc/20/05/11/803200511.db2.gz GVAGCRUAAGIBFN-VIFPVBQESA-N 0 1 307.306 2.438 20 5 DEBDMN CC1(C)CC[C@@H](COc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])O1 ZINC001228605367 803379313 /nfs/dbraw/zinc/37/93/13/803379313.db2.gz FJCHCZLXPZKQMH-VIFPVBQESA-N 0 1 309.322 2.304 20 5 DEBDMN C[NH+]1CCC(Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])CC1 ZINC001228861838 803422459 /nfs/dbraw/zinc/42/24/59/803422459.db2.gz IBEVGKYAEBZWPX-UHFFFAOYSA-N 0 1 321.255 2.187 20 5 DEBDMN C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] 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/nfs/dbraw/zinc/50/22/35/360502235.db2.gz HWAJCZJEFDGTTG-QWRGUYRKSA-N 0 1 305.334 2.329 20 5 DEBDMN CCCC(=O)NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000603682466 360853066 /nfs/dbraw/zinc/85/30/66/360853066.db2.gz SGHNBYVZTQKUDO-UHFFFAOYSA-N 0 1 305.378 2.476 20 5 DEBDMN CNc1ccc(C(=O)N2CCN(C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000610003396 361352781 /nfs/dbraw/zinc/35/27/81/361352781.db2.gz BBACFHXTKRJFOZ-OAHLLOKOSA-N 0 1 320.393 2.049 20 5 DEBDMN CN1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000675055986 541285898 /nfs/dbraw/zinc/28/58/98/541285898.db2.gz GSMHQNGSBDVKCJ-UHFFFAOYSA-N 0 1 314.183 2.105 20 5 DEBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1ccc([N+](=O)[O-])cc1F ZINC000268970719 284043803 /nfs/dbraw/zinc/04/38/03/284043803.db2.gz LONMPESKLKYOPO-GFCCVEGCSA-N 0 1 304.281 2.264 20 5 DEBDMN C[C@H](C(=O)NC1CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543163 243088093 /nfs/dbraw/zinc/08/80/93/243088093.db2.gz BBVLGEFENJGNMQ-OCCSQVGLSA-N 0 1 317.389 2.441 20 5 DEBDMN 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QVPSNZXVFCEXGG-GOEBONIOSA-N 0 1 300.314 2.179 20 5 DEBDMN C[C@H](O)C[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000156269067 197100182 /nfs/dbraw/zinc/10/01/82/197100182.db2.gz ZIDABSPVSQADPU-NSHDSACASA-N 0 1 305.334 2.105 20 5 DEBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000331483652 533662474 /nfs/dbraw/zinc/66/24/74/533662474.db2.gz CJDANNGYCGWLQV-JOYOIKCWSA-N 0 1 315.333 2.245 20 5 DEBDMN COC(=O)COc1ccc(CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000355614787 133037622 /nfs/dbraw/zinc/03/76/22/133037622.db2.gz WYOSWGPNDYJZQE-GFCCVEGCSA-N 0 1 322.361 2.379 20 5 DEBDMN CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ncc[nH]1 ZINC000356120368 133066957 /nfs/dbraw/zinc/06/69/57/133066957.db2.gz KMPCTTVVDUUDJH-JTQLQIEISA-N 0 1 314.305 2.075 20 5 DEBDMN O=C(NCCN1CC=CCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000357611307 133088252 /nfs/dbraw/zinc/08/82/52/133088252.db2.gz WCGNMXSXKPHSAK-UHFFFAOYSA-N 0 1 314.345 2.068 20 5 DEBDMN 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XGCVIWUBWQXDFO-UHFFFAOYSA-N 0 1 323.330 2.108 20 5 DEBDMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1[nH]nc2c1cccc2Cl ZINC000128205974 401767054 /nfs/dbraw/zinc/76/70/54/401767054.db2.gz MWIGHONTTIEUGZ-UHFFFAOYSA-N 0 1 320.696 2.110 20 5 DEBDMN CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000119184539 401931697 /nfs/dbraw/zinc/93/16/97/401931697.db2.gz NYNFXOFGLPYFBE-GFCCVEGCSA-N 0 1 321.377 2.008 20 5 DEBDMN Cc1ccccc1CC(C)(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000136901078 401975764 /nfs/dbraw/zinc/97/57/64/401975764.db2.gz GXYNWQLOUMFWRQ-UHFFFAOYSA-N 0 1 302.334 2.377 20 5 DEBDMN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cn1 ZINC000121311187 402027851 /nfs/dbraw/zinc/02/78/51/402027851.db2.gz HVFLMVKEMAVPSV-UHFFFAOYSA-N 0 1 307.331 2.407 20 5 DEBDMN CCc1nc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000122990155 402105102 /nfs/dbraw/zinc/10/51/02/402105102.db2.gz ROGGAWSFZPORPY-MRVPVSSYSA-N 0 1 321.362 2.395 20 5 DEBDMN CCc1n[nH]c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000122990155 402105104 /nfs/dbraw/zinc/10/51/04/402105104.db2.gz ROGGAWSFZPORPY-MRVPVSSYSA-N 0 1 321.362 2.395 20 5 DEBDMN CO[C@]1(C)CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000279981106 286159843 /nfs/dbraw/zinc/15/98/43/286159843.db2.gz LAIOHUUAOZWYNP-OAHLLOKOSA-N 0 1 324.381 2.473 20 5 DEBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)c1 ZINC000153753211 402168228 /nfs/dbraw/zinc/16/82/28/402168228.db2.gz LQTGNAYAFOFFKE-AOOOYVTPSA-N 0 1 309.391 2.139 20 5 DEBDMN CC[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000125571831 402239441 /nfs/dbraw/zinc/23/94/41/402239441.db2.gz QMUGWEJUHGETGE-IUODEOHRSA-N 0 1 303.362 2.432 20 5 DEBDMN C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCN1 ZINC000155232172 402249882 /nfs/dbraw/zinc/24/98/82/402249882.db2.gz NCEIQYQSJUMLOL-NSHDSACASA-N 0 1 305.378 2.326 20 5 DEBDMN CC(C)(C)CN(CCCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000109747577 402274622 /nfs/dbraw/zinc/27/46/22/402274622.db2.gz JORUGZRYVGWPIH-UHFFFAOYSA-N 0 1 323.393 2.264 20 5 DEBDMN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nnc[nH]1 ZINC000176203430 402290270 /nfs/dbraw/zinc/29/02/70/402290270.db2.gz UUMDBBZSYGESGS-SSDOTTSWSA-N 0 1 317.330 2.419 20 5 DEBDMN C[C@@H](O)CN(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162452646 402420660 /nfs/dbraw/zinc/42/06/60/402420660.db2.gz YCHXBBHMUMTUBL-MRVPVSSYSA-N 0 1 303.156 2.170 20 5 DEBDMN CC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000163707132 402455792 /nfs/dbraw/zinc/45/57/92/402455792.db2.gz ZLMSTVSICZKFAU-SNVBAGLBSA-N 0 1 310.260 2.477 20 5 DEBDMN CCO[C@H]1C[C@](N)(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000186703241 402457279 /nfs/dbraw/zinc/45/72/79/402457279.db2.gz VFEGBZKLRLRIMW-BBRMVZONSA-N 0 1 321.377 2.374 20 5 DEBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCOC1 ZINC000178364873 402489657 /nfs/dbraw/zinc/48/96/57/402489657.db2.gz SJKNACOPTQQVSG-NSHDSACASA-N 0 1 318.333 2.113 20 5 DEBDMN C[C@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000245883523 402493777 /nfs/dbraw/zinc/49/37/77/402493777.db2.gz IMEONQJICIDTNX-QWHCGFSZSA-N 0 1 317.389 2.462 20 5 DEBDMN O=C(N[C@H](c1ccccc1)c1cccnc1)c1n[nH]cc1[N+](=O)[O-] ZINC000179201075 402580533 /nfs/dbraw/zinc/58/05/33/402580533.db2.gz VZIMOQZLUFAQNT-CQSZACIVSA-N 0 1 323.312 2.232 20 5 DEBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@](C)(O)C1 ZINC000248358362 402587269 /nfs/dbraw/zinc/58/72/69/402587269.db2.gz QRULALLCFBFXBQ-BONVTDFDSA-N 0 1 318.333 2.163 20 5 DEBDMN C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181808131 402657555 /nfs/dbraw/zinc/65/75/55/402657555.db2.gz SQPZVOHOSAIABT-LBPRGKRZSA-N 0 1 321.377 2.295 20 5 DEBDMN COc1cc(CN(C)CCCn2ccnc2)c([N+](=O)[O-])cc1F ZINC000184289663 402833256 /nfs/dbraw/zinc/83/32/56/402833256.db2.gz CVFFCIVLBZMCGO-UHFFFAOYSA-N 0 1 322.340 2.461 20 5 DEBDMN COc1ccc(CN2CCC(CCC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000271275179 402851645 /nfs/dbraw/zinc/85/16/45/402851645.db2.gz YGUMVTNMGZREQS-UHFFFAOYSA-N 0 1 321.377 2.081 20 5 DEBDMN 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DEBDMN Cc1[nH]nc(C(=O)N(C)Cc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000064354586 354665177 /nfs/dbraw/zinc/66/51/77/354665177.db2.gz ONHMKERYIMUHNN-UHFFFAOYSA-N 0 1 310.260 2.177 20 5 DEBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1ccccc1[N+](=O)[O-] ZINC000071028559 354894753 /nfs/dbraw/zinc/89/47/53/354894753.db2.gz JKYKOEZGNHZMKV-UHFFFAOYSA-N 0 1 309.285 2.428 20 5 DEBDMN CC(C)CN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000072521775 354903305 /nfs/dbraw/zinc/90/33/05/354903305.db2.gz TYTMOEZJSIFGHM-UHFFFAOYSA-N 0 1 308.338 2.281 20 5 DEBDMN Cc1ccc(S(=O)(=O)Nc2cccnc2C)c([N+](=O)[O-])c1 ZINC000072913643 354930213 /nfs/dbraw/zinc/93/02/13/354930213.db2.gz SRLMXDJOFLWGJR-UHFFFAOYSA-N 0 1 307.331 2.407 20 5 DEBDMN Cc1[nH]nc(C(=O)N2CC(Cc3cccc(C)c3)C2)c1[N+](=O)[O-] ZINC000085458818 355493246 /nfs/dbraw/zinc/49/32/46/355493246.db2.gz VTKQZKQLKFJKSF-UHFFFAOYSA-N 0 1 314.345 2.249 20 5 DEBDMN Cc1c(C(=O)N2CCC(c3nc[nH]n3)CC2)cccc1[N+](=O)[O-] ZINC000082981432 355459709 /nfs/dbraw/zinc/45/97/09/355459709.db2.gz FTMIQGGSRRFKRA-UHFFFAOYSA-N 0 1 315.333 2.041 20 5 DEBDMN CCOC(=O)C[C@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000182620708 356134204 /nfs/dbraw/zinc/13/42/04/356134204.db2.gz SQEHUHZAKDSPCK-NSHDSACASA-N 0 1 310.350 2.377 20 5 DEBDMN CC(C)(O)[C@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000305700798 356401597 /nfs/dbraw/zinc/40/15/97/356401597.db2.gz CWTUQKORXKSQBS-CYBMUJFWSA-N 0 1 305.334 2.471 20 5 DEBDMN COc1ccc([N+](=O)[O-])cc1CNCc1ccc(CO)cc1 ZINC000320038186 356443605 /nfs/dbraw/zinc/44/36/05/356443605.db2.gz QWEFRYHUFKTNBW-UHFFFAOYSA-N 0 1 302.330 2.386 20 5 DEBDMN Cc1c(CN2CCC[C@H](n3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000425500003 283209503 /nfs/dbraw/zinc/20/95/03/283209503.db2.gz KSWXOCQEOATTKH-AWEZNQCLSA-N 0 1 301.350 2.332 20 5 DEBDMN CCOc1cc(CN(CCOC)CCOC)ccc1[N+](=O)[O-] ZINC000276872529 213145406 /nfs/dbraw/zinc/14/54/06/213145406.db2.gz HQHFZRSMFZDTHF-UHFFFAOYSA-N 0 1 312.366 2.088 20 5 DEBDMN C[C@@H](C(=O)N1CCN(C)CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000580870316 357092644 /nfs/dbraw/zinc/09/26/44/357092644.db2.gz COIBDDAVXUITIQ-GFCCVEGCSA-N 0 1 305.378 2.251 20 5 DEBDMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000584849882 357321953 /nfs/dbraw/zinc/32/19/53/357321953.db2.gz MHYMUVCVXMPMMP-ZDUSSCGKSA-N 0 1 308.334 2.433 20 5 DEBDMN O=C(NC1(C(F)(F)F)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000590913005 357641497 /nfs/dbraw/zinc/64/14/97/357641497.db2.gz GEZJELYKZTWTCX-UHFFFAOYSA-N 0 1 314.223 2.296 20 5 DEBDMN C[C@H]1SCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592735133 357932730 /nfs/dbraw/zinc/93/27/30/357932730.db2.gz KXGTVZHLDBINEC-GMSGAONNSA-N 0 1 306.347 2.095 20 5 DEBDMN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(C)C1 ZINC000592832785 357953826 /nfs/dbraw/zinc/95/38/26/357953826.db2.gz WAXXWDLXGUUGNH-LBPRGKRZSA-N 0 1 309.341 2.290 20 5 DEBDMN C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000593188346 358030202 /nfs/dbraw/zinc/03/02/02/358030202.db2.gz DIQHAGYGBHGXKX-MCIONIFRSA-N 0 1 319.405 2.467 20 5 DEBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000593188346 358030206 /nfs/dbraw/zinc/03/02/06/358030206.db2.gz DIQHAGYGBHGXKX-MCIONIFRSA-N 0 1 319.405 2.467 20 5 DEBDMN C[C@@H]1[C@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000593188549 358030283 /nfs/dbraw/zinc/03/02/83/358030283.db2.gz LLSRFIWUTNVSLX-XQQFMLRXSA-N 0 1 305.378 2.077 20 5 DEBDMN C[C@@H]1[C@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000593188549 358030285 /nfs/dbraw/zinc/03/02/85/358030285.db2.gz LLSRFIWUTNVSLX-XQQFMLRXSA-N 0 1 305.378 2.077 20 5 DEBDMN CC[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000593735395 358133731 /nfs/dbraw/zinc/13/37/31/358133731.db2.gz LUQWHOIECKUZCD-ZDUSSCGKSA-N 0 1 308.334 2.294 20 5 DEBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](OC(C)C)C2)c1[N+](=O)[O-] ZINC000593787775 358143179 /nfs/dbraw/zinc/14/31/79/358143179.db2.gz UAUTYMVRKYNADL-NSHDSACASA-N 0 1 324.381 2.300 20 5 DEBDMN CC(C)O[C@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000593787762 358143231 /nfs/dbraw/zinc/14/32/31/358143231.db2.gz SVVSUHQEBYPNFL-NSHDSACASA-N 0 1 324.381 2.471 20 5 DEBDMN O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000594419249 358264321 /nfs/dbraw/zinc/26/43/21/358264321.db2.gz QDBATWDWWITUHC-OLZOCXBDSA-N 0 1 319.361 2.047 20 5 DEBDMN O=C([O-])C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000594529248 358289613 /nfs/dbraw/zinc/28/96/13/358289613.db2.gz YRPOKEHNBBYLRK-UHFFFAOYSA-N 0 1 308.334 2.303 20 5 DEBDMN COc1cccc(NCc2n[nH]c([C@@H]3CCCO3)n2)c1[N+](=O)[O-] ZINC000594588577 358298374 /nfs/dbraw/zinc/29/83/74/358298374.db2.gz DAXXNCSSDFDODD-NSHDSACASA-N 0 1 319.321 2.185 20 5 DEBDMN Cc1cccc(NCc2n[nH]c([C@H]3CCCO3)n2)c1[N+](=O)[O-] ZINC000594589071 358298815 /nfs/dbraw/zinc/29/88/15/358298815.db2.gz HRFGEGPQWAJXSJ-LLVKDONJSA-N 0 1 303.322 2.485 20 5 DEBDMN CN(Cc1cn(-c2ccc([N+](=O)[O-])cn2)nn1)C1CCCCC1 ZINC000594650626 358311183 /nfs/dbraw/zinc/31/11/83/358311183.db2.gz ZBEFAYMUSIZBQM-UHFFFAOYSA-N 0 1 316.365 2.335 20 5 DEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)[C@H](CO)SC ZINC000595007423 358376872 /nfs/dbraw/zinc/37/68/72/358376872.db2.gz ITBIGHCBENMGEK-RBZYPMLTSA-N 0 1 314.407 2.366 20 5 DEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCOC[C@@H]1CCCO1 ZINC000595008387 358376971 /nfs/dbraw/zinc/37/69/71/358376971.db2.gz OKSSKLHQFNHPSH-JSGCOSHPSA-N 0 1 324.377 2.450 20 5 DEBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCOC[C@@H]1CCOC1 ZINC000595015936 358378564 /nfs/dbraw/zinc/37/85/64/358378564.db2.gz FKLQKQYNQQONKR-CHWSQXEVSA-N 0 1 324.377 2.307 20 5 DEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1([S@](C)=O)CC1 ZINC000595037804 358380990 /nfs/dbraw/zinc/38/09/90/358380990.db2.gz CKCUKJFHHHQSIT-CWKPULSASA-N 0 1 312.391 2.165 20 5 DEBDMN CC(C)(C)OCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598191769 359119018 /nfs/dbraw/zinc/11/90/18/359119018.db2.gz RYULKVRKJWSQLO-UHFFFAOYSA-N 0 1 320.349 2.406 20 5 DEBDMN O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@H](c2nc[nH]n2)C1 ZINC000599090910 359400718 /nfs/dbraw/zinc/40/07/18/359400718.db2.gz KMSBIZFHXYQIQE-NSHDSACASA-N 0 1 310.317 2.255 20 5 DEBDMN CCOc1ncccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427900949 237035742 /nfs/dbraw/zinc/03/57/42/237035742.db2.gz CFRGYSBUFYGEFV-UHFFFAOYSA-N 0 1 317.301 2.024 20 5 DEBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCNC[C@H]1C(C)C ZINC000599590670 359534380 /nfs/dbraw/zinc/53/43/80/359534380.db2.gz QZEIKAVZHZADGT-ZDUSSCGKSA-N 0 1 322.365 2.065 20 5 DEBDMN CCC(O)(CC)CN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599672588 359564767 /nfs/dbraw/zinc/56/47/67/359564767.db2.gz GYIZKKWXQUSXPF-LBPRGKRZSA-N 0 1 323.393 2.405 20 5 DEBDMN O=C(N[C@H](CCc1ccccc1)C(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000600313852 359720314 /nfs/dbraw/zinc/72/03/14/359720314.db2.gz OWWDRVSKYKKRJT-SNVBAGLBSA-N 0 1 324.287 2.314 20 5 DEBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)c2cccnc2)c1[N+](=O)[O-] ZINC000188310175 200225674 /nfs/dbraw/zinc/22/56/74/200225674.db2.gz PWMPWWVLURJHKQ-SECBINFHSA-N 0 1 303.322 2.109 20 5 DEBDMN O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)cn1 ZINC000603415506 360825382 /nfs/dbraw/zinc/82/53/82/360825382.db2.gz JIIAAYSBQCDIHO-HOTGVXAUSA-N 0 1 310.357 2.453 20 5 DEBDMN O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cn1 ZINC000603415506 360825384 /nfs/dbraw/zinc/82/53/84/360825384.db2.gz JIIAAYSBQCDIHO-HOTGVXAUSA-N 0 1 310.357 2.453 20 5 DEBDMN Cc1cc(CN(C)CCn2cc([N+](=O)[O-])ccc2=O)ccc1F ZINC000444726735 238268647 /nfs/dbraw/zinc/26/86/47/238268647.db2.gz AZLGMTRMBWJVNE-UHFFFAOYSA-N 0 1 319.336 2.336 20 5 DEBDMN CCN(C)C(=O)[C@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193349990 201036070 /nfs/dbraw/zinc/03/60/70/201036070.db2.gz VIVOMFQPJPSSRN-NHYWBVRUSA-N 0 1 305.378 2.429 20 5 DEBDMN CCN1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611087897 361524157 /nfs/dbraw/zinc/52/41/57/361524157.db2.gz QRKJTCYMMQNREY-CYBMUJFWSA-N 0 1 305.378 2.080 20 5 DEBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000611274061 361569573 /nfs/dbraw/zinc/56/95/73/361569573.db2.gz KQYHNKPSMGTCMK-PELKAZGASA-N 0 1 320.267 2.452 20 5 DEBDMN CN(CC1(O)CCCCCC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000275213391 212200070 /nfs/dbraw/zinc/20/00/70/212200070.db2.gz LEXXUGLFDCLZIN-UHFFFAOYSA-N 0 1 322.361 2.458 20 5 DEBDMN Cn1cccc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534842 193266008 /nfs/dbraw/zinc/26/60/08/193266008.db2.gz RWZFFVFQIJPKCF-GFCCVEGCSA-N 0 1 301.350 2.015 20 5 DEBDMN Cn1cccc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534840 193266329 /nfs/dbraw/zinc/26/63/29/193266329.db2.gz RWZFFVFQIJPKCF-LBPRGKRZSA-N 0 1 301.350 2.015 20 5 DEBDMN O=C(c1cnc[nH]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266329319 205270952 /nfs/dbraw/zinc/27/09/52/205270952.db2.gz WPOQYJKPGZJXTE-UHFFFAOYSA-N 0 1 316.317 2.002 20 5 DEBDMN CN(CCOCCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000282879442 217296426 /nfs/dbraw/zinc/29/64/26/217296426.db2.gz YNRYPKKTJSKXMK-UHFFFAOYSA-N 0 1 320.345 2.296 20 5 DEBDMN CCOC[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000458072958 248137732 /nfs/dbraw/zinc/13/77/32/248137732.db2.gz HHVKDZRIZSIMQK-LBPRGKRZSA-N 0 1 308.334 2.332 20 5 DEBDMN C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000492264132 249027155 /nfs/dbraw/zinc/02/71/55/249027155.db2.gz VNSURIRVBDKBJL-WACGGTQYSA-N 0 1 303.362 2.159 20 5 DEBDMN C[C@@H]1[C@@H](C)N(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CCN1C ZINC000492323249 249039514 /nfs/dbraw/zinc/03/95/14/249039514.db2.gz NEALEOSSFLUCCI-RYYBZQDPSA-N 0 1 303.362 2.159 20 5 DEBDMN CC(C)[C@@H](CCO)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000274104650 211358172 /nfs/dbraw/zinc/35/81/72/211358172.db2.gz VCWOCUNJVRORGI-CYBMUJFWSA-N 0 1 320.349 2.141 20 5 DEBDMN O=[N+]([O-])c1cc(F)ccc1N1CCN(C2CCOCC2)CC1 ZINC000267022498 285095789 /nfs/dbraw/zinc/09/57/89/285095789.db2.gz JHBOFPNYKMVBEN-UHFFFAOYSA-N 0 1 309.341 2.035 20 5 DEBDMN CCCCCN(CCCOC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000272992979 210373343 /nfs/dbraw/zinc/37/33/43/210373343.db2.gz NHGRZVKRFYURTH-UHFFFAOYSA-N 0 1 312.370 2.295 20 5 DEBDMN Cc1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000288635628 220309950 /nfs/dbraw/zinc/30/99/50/220309950.db2.gz TWVYRHFJUGJAHX-PBHICJAKSA-N 0 1 314.341 2.487 20 5 DEBDMN Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)CO2 ZINC000540953568 285145182 /nfs/dbraw/zinc/14/51/82/285145182.db2.gz XKSGSDKLOJDSEV-AWEZNQCLSA-N 0 1 314.297 2.472 20 5 DEBDMN O=c1[nH]nc(C2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)o1 ZINC000291152237 285202759 /nfs/dbraw/zinc/20/27/59/285202759.db2.gz PCDXPZVHFFNOFG-UHFFFAOYSA-N 0 1 324.724 2.309 20 5 DEBDMN Cc1ccc(CN2C[C@H](N3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000289786779 221227143 /nfs/dbraw/zinc/22/71/43/221227143.db2.gz RVTQXQCQZMJYCD-GOEBONIOSA-N 0 1 319.405 2.198 20 5 DEBDMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000121569590 195307530 /nfs/dbraw/zinc/30/75/30/195307530.db2.gz WCASZWIKJQPDOZ-CQSZACIVSA-N 0 1 306.366 2.399 20 5 DEBDMN C[C@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000294412741 533625178 /nfs/dbraw/zinc/62/51/78/533625178.db2.gz DOQSTPQHFBIHNR-JTQLQIEISA-N 0 1 300.318 2.467 20 5 DEBDMN CN(C)c1ncccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355637080 133038875 /nfs/dbraw/zinc/03/88/75/133038875.db2.gz RKTXJCMCEJMVDF-UHFFFAOYSA-N 0 1 302.290 2.014 20 5 DEBDMN O=C(Nc1ccc2nccnc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356070045 133064080 /nfs/dbraw/zinc/06/40/80/133064080.db2.gz UNTBRXVUSXJONH-UHFFFAOYSA-N 0 1 310.269 2.496 20 5 DEBDMN COCCN(CCn1ccc([N+](=O)[O-])n1)Cc1cccs1 ZINC000357924526 133109795 /nfs/dbraw/zinc/10/97/95/133109795.db2.gz OAGHBLMERZTVCG-UHFFFAOYSA-N 0 1 310.379 2.001 20 5 DEBDMN C[C@@H](NCc1c([N+](=O)[O-])ncn1C)[C@H]1OCCc2sccc21 ZINC000368355523 133270535 /nfs/dbraw/zinc/27/05/35/133270535.db2.gz PWSHYXVEATXHHP-NOZJJQNGSA-N 0 1 322.390 2.182 20 5 DEBDMN COc1cc(CN[C@H]2CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC000372809746 133367070 /nfs/dbraw/zinc/36/70/70/133367070.db2.gz 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20 5 DEBDMN CN(Cc1ccoc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342342762 404522098 /nfs/dbraw/zinc/52/20/98/404522098.db2.gz LGJBVBLVOLQSTG-CYBMUJFWSA-N 0 1 306.318 2.060 20 5 DEBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1n[nH]c(C2CC2)n1 ZINC000352565733 404460290 /nfs/dbraw/zinc/46/02/90/404460290.db2.gz YFOMFZOZSJYLQU-UHFFFAOYSA-N 0 1 301.350 2.265 20 5 DEBDMN CN(CCC(F)(F)F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342349429 404524952 /nfs/dbraw/zinc/52/49/52/404524952.db2.gz WYJFMFSNSDVGMG-SNVBAGLBSA-N 0 1 322.283 2.219 20 5 DEBDMN CNC(=O)NC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000414541763 404672857 /nfs/dbraw/zinc/67/28/57/404672857.db2.gz JQFQWDARXBOGIK-XQRVVYSFSA-N 0 1 318.377 2.001 20 5 DEBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC[C@H]1CCCO1 ZINC000342611301 404677509 /nfs/dbraw/zinc/67/75/09/404677509.db2.gz XMVRCGPVRWHJKY-CHWSQXEVSA-N 0 1 321.377 2.423 20 5 DEBDMN COc1c(CNC(=O)c2n[nH]cc2[N+](=O)[O-])oc2ccccc21 ZINC000356757826 404681885 /nfs/dbraw/zinc/68/18/85/404681885.db2.gz CEOWNNGTEGVVLT-UHFFFAOYSA-N 0 1 316.273 2.003 20 5 DEBDMN COc1cccc(-c2nc(C3(N)CCCC3)no2)c1[N+](=O)[O-] ZINC000414626095 404695323 /nfs/dbraw/zinc/69/53/23/404695323.db2.gz JPYGKYVQZDDNQO-UHFFFAOYSA-N 0 1 304.306 2.381 20 5 DEBDMN CN(Cc1c(F)cccc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000353051957 404732667 /nfs/dbraw/zinc/73/26/67/404732667.db2.gz XGSUNSDLJVJCCU-UHFFFAOYSA-N 0 1 312.341 2.097 20 5 DEBDMN C[C@H]1CCN(C)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000353999598 404992650 /nfs/dbraw/zinc/99/26/50/404992650.db2.gz MECAAGXETPFSST-JTQLQIEISA-N 0 1 311.769 2.414 20 5 DEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(OC2CCC2)CC1 ZINC000416260416 405079292 /nfs/dbraw/zinc/07/92/92/405079292.db2.gz RWSPUWFHYOFGOD-UHFFFAOYSA-N 0 1 320.345 2.474 20 5 DEBDMN CCc1[nH]nc(C(=O)N2CCSC[C@@H]2C2CCC2)c1[N+](=O)[O-] ZINC000416321547 405104285 /nfs/dbraw/zinc/10/42/85/405104285.db2.gz LESRPLOTBOUAFC-LLVKDONJSA-N 0 1 324.406 2.238 20 5 DEBDMN C[C@@H]1C[C@H]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000354279984 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Cc1ncc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000459668105 406002319 /nfs/dbraw/zinc/00/23/19/406002319.db2.gz BJOUPSRQUHUGNZ-JTQLQIEISA-N 0 1 318.333 2.398 20 5 DEBDMN O=C1[C@H](N2C3CCC2CC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000533237594 406130642 /nfs/dbraw/zinc/13/06/42/406130642.db2.gz XXPBSXCRGNWCFQ-KOHJWAIASA-N 0 1 301.346 2.327 20 5 DEBDMN CCN1C[C@@H](C)N(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000535742096 406233361 /nfs/dbraw/zinc/23/33/61/406233361.db2.gz DPUINOGVXKKTGL-NWDGAFQWSA-N 0 1 320.393 2.191 20 5 DEBDMN CNc1ccc(C(=O)N2CCN(C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000570111455 406348086 /nfs/dbraw/zinc/34/80/86/406348086.db2.gz RONHMMGKGWYHCG-OAHLLOKOSA-N 0 1 320.393 2.049 20 5 DEBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000570631918 406418657 /nfs/dbraw/zinc/41/86/57/406418657.db2.gz VZGRYAFAVVDUQT-NWDGAFQWSA-N 0 1 308.334 2.159 20 5 DEBDMN CCc1[nH]nc(C(=O)N2CCc3ccccc3CC2)c1[N+](=O)[O-] ZINC000571954047 406586973 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Cc1c(CC(=O)Nc2ccc3[nH]nnc3c2)cccc1[N+](=O)[O-] ZINC000128480061 401778847 /nfs/dbraw/zinc/77/88/47/401778847.db2.gz JHOUTTSENKOOMX-UHFFFAOYSA-N 0 1 311.301 2.356 20 5 DEBDMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000119091089 401925375 /nfs/dbraw/zinc/92/53/75/401925375.db2.gz YXWRSZSYXDWAIS-GFCCVEGCSA-N 0 1 321.377 2.104 20 5 DEBDMN CCC[C@H](NCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000037740681 401916959 /nfs/dbraw/zinc/91/69/59/401916959.db2.gz PIOXVQPZBDMOBP-ZDUSSCGKSA-N 0 1 300.380 2.070 20 5 DEBDMN CSc1ccc(C(=O)NCc2cn[nH]c2C)cc1[N+](=O)[O-] ZINC000038011531 401920234 /nfs/dbraw/zinc/92/02/34/401920234.db2.gz WCZMVICCXCXUHD-UHFFFAOYSA-N 0 1 306.347 2.278 20 5 DEBDMN CC[C@@]1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000135718346 401951310 /nfs/dbraw/zinc/95/13/10/401951310.db2.gz YEITVZKVDFYRJM-INIZCTEOSA-N 0 1 321.377 2.424 20 5 DEBDMN CC[C@H](N[C@H](C)CS(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000089638643 401955252 /nfs/dbraw/zinc/95/52/52/401955252.db2.gz FOQKJIFJJXVKIU-RISCZKNCSA-N 0 1 314.407 2.459 20 5 DEBDMN Cc1nc(C(C)(C)NC(=O)c2n[nH]cc2[N+](=O)[O-])sc1C ZINC000137166247 401979717 /nfs/dbraw/zinc/97/97/17/401979717.db2.gz AHQKFCCPSULUCY-UHFFFAOYSA-N 0 1 309.351 2.056 20 5 DEBDMN CCCc1[nH]nc(C(=O)N2CCOC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000151127952 402017685 /nfs/dbraw/zinc/01/76/85/402017685.db2.gz ZHQSQAWWNLQWPF-UHFFFAOYSA-N 0 1 322.365 2.056 20 5 DEBDMN O=C(Cc1[nH]nc2ccccc21)NCc1ccccc1[N+](=O)[O-] ZINC000050583754 402029412 /nfs/dbraw/zinc/02/94/12/402029412.db2.gz XCIQQZDMRRLHRG-UHFFFAOYSA-N 0 1 310.313 2.330 20 5 DEBDMN Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000121338419 402029689 /nfs/dbraw/zinc/02/96/89/402029689.db2.gz YRSCLIQXGRDHOR-UHFFFAOYSA-N 0 1 307.331 2.407 20 5 DEBDMN C[C@H](CO)N(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122351178 402074324 /nfs/dbraw/zinc/07/43/24/402074324.db2.gz JXWKAIDUUABEKM-MRVPVSSYSA-N 0 1 303.156 2.170 20 5 DEBDMN CN(CCCOc1ccc([N+](=O)[O-])cc1)Cc1cnn(C)c1 ZINC000055899464 402087433 /nfs/dbraw/zinc/08/74/33/402087433.db2.gz HSMWEVLUUHBPTL-UHFFFAOYSA-N 0 1 304.350 2.229 20 5 DEBDMN CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCCN(C)C1 ZINC000152732627 402105889 /nfs/dbraw/zinc/10/58/89/402105889.db2.gz ZDRFQJITCXCWHN-LLVKDONJSA-N 0 1 311.769 2.414 20 5 DEBDMN CC(C)(C)c1csc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000152751305 402106984 /nfs/dbraw/zinc/10/69/84/402106984.db2.gz KNJIFHFYHVNOSJ-UHFFFAOYSA-N 0 1 323.378 2.044 20 5 DEBDMN CC(C)N(CCN1CCCC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000066434595 402133779 /nfs/dbraw/zinc/13/37/79/402133779.db2.gz DOCQHYLJANRSJL-UHFFFAOYSA-N 0 1 305.378 2.428 20 5 DEBDMN CN(C(=O)CN1C[C@H]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000153256884 402135943 /nfs/dbraw/zinc/13/59/43/402135943.db2.gz RYGZQVPSBKAFTC-CHWSQXEVSA-N 0 1 303.362 2.290 20 5 DEBDMN CC[C@@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000125740578 402248082 /nfs/dbraw/zinc/24/80/82/402248082.db2.gz OGQWRAIZPUPEQC-GFCCVEGCSA-N 0 1 303.362 2.216 20 5 DEBDMN CC(C)(O)CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000070980306 402268710 /nfs/dbraw/zinc/26/87/10/402268710.db2.gz XDMIAOCIOGDOIU-UHFFFAOYSA-N 0 1 313.785 2.141 20 5 DEBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@H]1C1CC1 ZINC000176134261 402282065 /nfs/dbraw/zinc/28/20/65/402282065.db2.gz IUHZDMSCXSWZHC-RYUDHWBXSA-N 0 1 313.317 2.365 20 5 DEBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000184835121 402302705 /nfs/dbraw/zinc/30/27/05/402302705.db2.gz ROZSCUKUEVVABW-ZYHUDNBSSA-N 0 1 317.349 2.159 20 5 DEBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nnc[nH]1 ZINC000184835100 402302971 /nfs/dbraw/zinc/30/29/71/402302971.db2.gz ROZSCUKUEVVABW-PWSUYJOCSA-N 0 1 317.349 2.159 20 5 DEBDMN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000160679200 402356854 /nfs/dbraw/zinc/35/68/54/402356854.db2.gz YDIZBAMLRLYJQH-UHFFFAOYSA-N 0 1 323.330 2.108 20 5 DEBDMN O=[N+]([O-])c1cccc(CN2CCC(Cn3cncn3)CC2)c1 ZINC000186243198 402414465 /nfs/dbraw/zinc/41/44/65/402414465.db2.gz VYTJASBSJKDVOG-UHFFFAOYSA-N 0 1 301.350 2.099 20 5 DEBDMN CC[C@]1(CO)CCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000189658554 402550362 /nfs/dbraw/zinc/55/03/62/402550362.db2.gz BJRKWEGAFLGEIZ-MRXNPFEDSA-N 0 1 322.361 2.198 20 5 DEBDMN Cc1c(CNC(=O)CN2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000566448635 292242117 /nfs/dbraw/zinc/24/21/17/292242117.db2.gz BIQHJZKDLNILCO-UHFFFAOYSA-N 0 1 305.378 2.251 20 5 DEBDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000254987263 402673997 /nfs/dbraw/zinc/67/39/97/402673997.db2.gz OHPSFJISOACGPV-WACGGTQYSA-N 0 1 303.362 2.159 20 5 DEBDMN Cc1cc(C)c(S(=O)(=O)Nc2cccnc2)cc1[N+](=O)[O-] ZINC000191901964 402697682 /nfs/dbraw/zinc/69/76/82/402697682.db2.gz GIDIGBCFYOQMPX-UHFFFAOYSA-N 0 1 307.331 2.407 20 5 DEBDMN CCc1[nH]nc(C(=O)N2Cc3ccccc3C[C@H]2C)c1[N+](=O)[O-] ZINC000192625696 402741171 /nfs/dbraw/zinc/74/11/71/402741171.db2.gz DBZMZDFMESMBCH-SNVBAGLBSA-N 0 1 314.345 2.467 20 5 DEBDMN C[C@@H]1CN(CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC000192762191 402748424 /nfs/dbraw/zinc/74/84/24/402748424.db2.gz JXRRPJSIXQFZFK-CQSZACIVSA-N 0 1 319.405 2.280 20 5 DEBDMN C[C@@H]1CN(CCCNc2cc(N)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000192771930 402749098 /nfs/dbraw/zinc/74/90/98/402749098.db2.gz HRZXUXIRZMLGCX-VXGBXAGGSA-N 0 1 308.382 2.088 20 5 DEBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263317479 402757862 /nfs/dbraw/zinc/75/78/62/402757862.db2.gz IXIFXLWTTYQIKH-ZYHUDNBSSA-N 0 1 308.334 2.146 20 5 DEBDMN O=C(NC1Cc2ccccc2C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000183578511 402777747 /nfs/dbraw/zinc/77/77/47/402777747.db2.gz KCAKKNBTFDTYSK-UHFFFAOYSA-N 0 1 322.324 2.368 20 5 DEBDMN C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000267728909 403040461 /nfs/dbraw/zinc/04/04/61/403040461.db2.gz UJXQDTRGMCGSJH-JQWIXIFHSA-N 0 1 308.338 2.279 20 5 DEBDMN CC[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000269326225 403131161 /nfs/dbraw/zinc/13/11/61/403131161.db2.gz CWOSRNUKXBTNHD-UWVGGRQHSA-N 0 1 310.354 2.081 20 5 DEBDMN CC(C)c1[nH]nc(C(=O)N(CC(F)F)C2CC2)c1[N+](=O)[O-] ZINC000269340651 403131970 /nfs/dbraw/zinc/13/19/70/403131970.db2.gz HKWJZFOSQNLXEQ-UHFFFAOYSA-N 0 1 302.281 2.311 20 5 DEBDMN COC1CCC(N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269379584 403134694 /nfs/dbraw/zinc/13/46/94/403134694.db2.gz IYKZBXZJYZRWIZ-UHFFFAOYSA-N 0 1 324.381 2.471 20 5 DEBDMN CN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000270887119 403236006 /nfs/dbraw/zinc/23/60/06/403236006.db2.gz GRWGZVUQGWTEJZ-RMKNXTFCSA-N 0 1 303.362 2.161 20 5 DEBDMN CCc1nc([C@@H](C)NC(=O)c2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000270997384 403251342 /nfs/dbraw/zinc/25/13/42/403251342.db2.gz FLILJBBHAZELID-SECBINFHSA-N 0 1 303.322 2.075 20 5 DEBDMN CC(=O)NCC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000271118142 403265843 /nfs/dbraw/zinc/26/58/43/403265843.db2.gz CXSQDYKKYVWWRR-GQCTYLIASA-N 0 1 317.389 2.456 20 5 DEBDMN O=C(N[C@H]1COc2ccc(F)cc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000345482646 403350089 /nfs/dbraw/zinc/35/00/89/403350089.db2.gz UNFFOVHKIFGELH-ZDUSSCGKSA-N 0 1 318.260 2.303 20 5 DEBDMN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)c1ccco1 ZINC000298200017 403329148 /nfs/dbraw/zinc/32/91/48/403329148.db2.gz IYVWIXKXWUGKKV-NSHDSACASA-N 0 1 317.305 2.439 20 5 DEBDMN CC[C@H](C)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293201494 403413434 /nfs/dbraw/zinc/41/34/34/403413434.db2.gz QUMZNJODQVTESR-ZDUSSCGKSA-N 0 1 305.378 2.399 20 5 DEBDMN CC(C)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000286184118 403468491 /nfs/dbraw/zinc/46/84/91/403468491.db2.gz QLANFQRBJUCHPP-OAHLLOKOSA-N 0 1 324.400 2.418 20 5 DEBDMN C[C@@H]1[C@H](C)N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000332051925 403470664 /nfs/dbraw/zinc/47/06/64/403470664.db2.gz YARYOSAJRLYRBU-MNOVXSKESA-N 0 1 316.361 2.241 20 5 DEBDMN Cc1nc([C@H](C)NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n[nH]1 ZINC000286217860 403475509 /nfs/dbraw/zinc/47/55/09/403475509.db2.gz BXXQPMMLVPQXRL-JTQLQIEISA-N 0 1 317.349 2.438 20 5 DEBDMN Cc1[nH]nc(C(=O)N2CCC(OC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000332090008 403480396 /nfs/dbraw/zinc/48/03/96/403480396.db2.gz LOTQQAXUFGFMDS-UHFFFAOYSA-N 0 1 322.365 2.190 20 5 DEBDMN Cc1nc([C@@H]2CN([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)n[nH]1 ZINC000332340062 403555041 /nfs/dbraw/zinc/55/50/41/403555041.db2.gz QUOLRHPTHJGSNY-YGRLFVJLSA-N 0 1 317.349 2.156 20 5 DEBDMN Cc1nc([C@@H](C)NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000286333890 403502720 /nfs/dbraw/zinc/50/27/20/403502720.db2.gz KJYTYPVWRBBTOC-ZCFIWIBFSA-N 0 1 309.713 2.166 20 5 DEBDMN CCN1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)C1 ZINC000343272666 403521683 /nfs/dbraw/zinc/52/16/83/403521683.db2.gz DZQSIYKCTOPXKQ-NSHDSACASA-N 0 1 317.349 2.175 20 5 DEBDMN O=[N+]([O-])c1cccc(N2CCN(CCOC3CCC3)CC2)c1 ZINC000287450251 403602473 /nfs/dbraw/zinc/60/24/73/403602473.db2.gz VFYCNUQEQCUITG-UHFFFAOYSA-N 0 1 305.378 2.286 20 5 DEBDMN Cc1c(CN[C@H](c2nnc[nH]2)c2cccnc2)cccc1[N+](=O)[O-] ZINC000340509216 403631663 /nfs/dbraw/zinc/63/16/63/403631663.db2.gz WWWJZJYFMHMSGH-HNNXBMFYSA-N 0 1 324.344 2.296 20 5 DEBDMN CN(C)c1nc2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc2[nH]1 ZINC000295294893 403837607 /nfs/dbraw/zinc/83/76/07/403837607.db2.gz ULBSFALLVADVQQ-UHFFFAOYSA-N 0 1 319.365 2.403 20 5 DEBDMN Cc1cc(Cl)c(C(=O)N[C@H](C)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000295306976 403845911 /nfs/dbraw/zinc/84/59/11/403845911.db2.gz NWNZWFJFNGTFPN-SSDOTTSWSA-N 0 1 309.713 2.166 20 5 DEBDMN CC(C)N(CCC(=O)Nc1ccccc1[N+](=O)[O-])C1COC1 ZINC000295332547 403862740 /nfs/dbraw/zinc/86/27/40/403862740.db2.gz HLGNZMKFHUMHSJ-UHFFFAOYSA-N 0 1 307.350 2.033 20 5 DEBDMN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CCN(C2CC2)C1 ZINC000295401735 403905120 /nfs/dbraw/zinc/90/51/20/403905120.db2.gz RNUFXJCSQGYORB-LLVKDONJSA-N 0 1 321.352 2.290 20 5 DEBDMN 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/nfs/dbraw/zinc/25/45/75/358254575.db2.gz XYSOBJQXCKGIBI-UHFFFAOYSA-N 0 1 320.393 2.123 20 5 DEBDMN Cc1cnc(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(C)c1 ZINC000594397641 358257280 /nfs/dbraw/zinc/25/72/80/358257280.db2.gz JTMFEFMEXKUYPJ-UHFFFAOYSA-N 0 1 315.329 2.285 20 5 DEBDMN C[C@@H](NCc1n[nH]c([C@H]2CCCO2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000594512856 358287500 /nfs/dbraw/zinc/28/75/00/358287500.db2.gz SASWDAXZDWXFMA-ZWNOBZJWSA-N 0 1 317.349 2.415 20 5 DEBDMN CCN1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@H]1C ZINC000594568595 358295332 /nfs/dbraw/zinc/29/53/32/358295332.db2.gz UYCAYPYNERQQCU-GFCCVEGCSA-N 0 1 308.382 2.307 20 5 DEBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)[C@@H](CO)SC ZINC000595007421 358377012 /nfs/dbraw/zinc/37/70/12/358377012.db2.gz ITBIGHCBENMGEK-IMSIIYSGSA-N 0 1 314.407 2.366 20 5 DEBDMN COc1cc(C[N@@H+](CC(=O)[O-])C2CCCC2)ccc1[N+](=O)[O-] ZINC000595280734 358411832 /nfs/dbraw/zinc/41/18/32/358411832.db2.gz ZAVSPOKUSZCSEK-UHFFFAOYSA-N 0 1 308.334 2.433 20 5 DEBDMN Cc1c(CNC(=O)[C@@H]2CCCN2C2CC2)cccc1[N+](=O)[O-] ZINC000618866141 363621290 /nfs/dbraw/zinc/62/12/90/363621290.db2.gz USPHVYGWTQPIKN-HNNXBMFYSA-N 0 1 303.362 2.146 20 5 DEBDMN Cc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccn1 ZINC000598614084 359260719 /nfs/dbraw/zinc/26/07/19/359260719.db2.gz NXTIPFATGQXMSO-UHFFFAOYSA-N 0 1 301.350 2.332 20 5 DEBDMN CCC(O)(CC)CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599673622 359566316 /nfs/dbraw/zinc/56/63/16/359566316.db2.gz RSIYBJQHGFXUIL-LBPRGKRZSA-N 0 1 323.393 2.405 20 5 DEBDMN CNC(=O)[C@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000281115068 216089316 /nfs/dbraw/zinc/08/93/16/216089316.db2.gz NLUKWIXUZZOAHK-CQSZACIVSA-N 0 1 311.769 2.206 20 5 DEBDMN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCN1C1CCCC1 ZINC000602068838 360254678 /nfs/dbraw/zinc/25/46/78/360254678.db2.gz BEWNPGQSWDTUJZ-HNNXBMFYSA-N 0 1 303.362 2.228 20 5 DEBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000601971531 360216234 /nfs/dbraw/zinc/21/62/34/360216234.db2.gz DIJWVXSOOIVUJP-OKILXGFUSA-N 0 1 306.362 2.460 20 5 DEBDMN O=[N+]([O-])c1sc(CN[C@H]2CCOC2)cc1Br ZINC000602569591 360437346 /nfs/dbraw/zinc/43/73/46/360437346.db2.gz BJXXWJJCBKIBFJ-LURJTMIESA-N 0 1 307.169 2.297 20 5 DEBDMN COC[C@@H](CCO)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602551794 360429552 /nfs/dbraw/zinc/42/95/52/360429552.db2.gz FQOUPPVFBPBYOL-LLVKDONJSA-N 0 1 322.283 2.101 20 5 DEBDMN COC[C@@](C)(CO)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000602932083 360630947 /nfs/dbraw/zinc/63/09/47/360630947.db2.gz MBTLPJDUNUKBPR-GFCCVEGCSA-N 0 1 322.283 2.101 20 5 DEBDMN O=[N+]([O-])c1cccnc1N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000603417039 360825788 /nfs/dbraw/zinc/82/57/88/360825788.db2.gz WQRKNBICSLSODL-GJZGRUSLSA-N 0 1 310.357 2.453 20 5 DEBDMN Cc1c(CN2CCN(C[C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000603837664 360864055 /nfs/dbraw/zinc/86/40/55/360864055.db2.gz ZFTYCPSCLIFZCH-MRXNPFEDSA-N 0 1 319.405 2.200 20 5 DEBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@@H]([C@@H]4CCOC4)C3)nc2c1 ZINC000444664920 238223316 /nfs/dbraw/zinc/22/33/16/238223316.db2.gz SGNSADXHCISFCA-VXGBXAGGSA-N 0 1 316.361 2.330 20 5 DEBDMN CCO[C@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000610920542 361492753 /nfs/dbraw/zinc/49/27/53/361492753.db2.gz MEEUFLITOSGWRK-JTQLQIEISA-N 0 1 310.354 2.082 20 5 DEBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)CO ZINC000611170999 361539744 /nfs/dbraw/zinc/53/97/44/361539744.db2.gz DIFUERLEOSAPBT-UHFFFAOYSA-N 0 1 305.334 2.453 20 5 DEBDMN CC[C@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])CCCO1 ZINC000281538280 216368683 /nfs/dbraw/zinc/36/86/83/216368683.db2.gz WOMMWAKKPJJBAF-ZDUSSCGKSA-N 0 1 324.377 2.483 20 5 DEBDMN O=C(N[C@H]1C[C@@H]1c1cccnc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000619581145 363833095 /nfs/dbraw/zinc/83/30/95/363833095.db2.gz UUKKCPGAYXONQN-RISCZKNCSA-N 0 1 323.312 2.152 20 5 DEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000366332681 296073554 /nfs/dbraw/zinc/07/35/54/296073554.db2.gz PSLGLUNZSFOESH-YIYPIFLZSA-N 0 1 308.378 2.182 20 5 DEBDMN Cc1ncccc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534763 193266094 /nfs/dbraw/zinc/26/60/94/193266094.db2.gz CCCZYYZSXDOEKL-CQSZACIVSA-N 0 1 313.361 2.380 20 5 DEBDMN COC(=O)[C@H]1CC12CCN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC000265034834 204355181 /nfs/dbraw/zinc/35/51/81/204355181.db2.gz JBGHWBHYNSXYGO-CYBMUJFWSA-N 0 1 304.346 2.370 20 5 DEBDMN COCCn1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000266232991 205202378 /nfs/dbraw/zinc/20/23/78/205202378.db2.gz VEKOALWEHYSNNT-GFCCVEGCSA-N 0 1 304.350 2.289 20 5 DEBDMN Cc1cccc([C@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000159919110 197373817 /nfs/dbraw/zinc/37/38/17/197373817.db2.gz DGVQCLUYKHNVQL-OAHLLOKOSA-N 0 1 301.350 2.332 20 5 DEBDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000155571131 291607706 /nfs/dbraw/zinc/60/77/06/291607706.db2.gz CQJDBWDWCKFZSI-ONYUAGEFSA-N 0 1 321.352 2.298 20 5 DEBDMN C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000492264130 249026249 /nfs/dbraw/zinc/02/62/49/249026249.db2.gz VNSURIRVBDKBJL-RYYBZQDPSA-N 0 1 303.362 2.159 20 5 DEBDMN C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C ZINC000492264110 249026623 /nfs/dbraw/zinc/02/66/23/249026623.db2.gz VGXRDEUPAHBMJP-KPRDYVAISA-N 0 1 303.362 2.159 20 5 DEBDMN C[C@@H]1[C@@H](C)N(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CCN1C ZINC000492323251 249039046 /nfs/dbraw/zinc/03/90/46/249039046.db2.gz NEALEOSSFLUCCI-WACGGTQYSA-N 0 1 303.362 2.159 20 5 DEBDMN C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285003893 218252384 /nfs/dbraw/zinc/25/23/84/218252384.db2.gz GXZWTKLNWIBNKN-CPCISQLKSA-N 0 1 307.272 2.141 20 5 DEBDMN CN(CCc1ccccc1[N+](=O)[O-])C[C@](C)(O)C(F)(F)F ZINC000285208476 218333955 /nfs/dbraw/zinc/33/39/55/218333955.db2.gz DLMUJEXEJSVGIU-LBPRGKRZSA-N 0 1 306.284 2.382 20 5 DEBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000268961114 207126337 /nfs/dbraw/zinc/12/63/37/207126337.db2.gz JPRUQUIYHOBBGN-LBPRGKRZSA-N 0 1 300.318 2.434 20 5 DEBDMN CCCc1nnc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)s1 ZINC000269159265 207284462 /nfs/dbraw/zinc/28/44/62/207284462.db2.gz WSAYZKGWEQTSPK-UHFFFAOYSA-N 0 1 308.319 2.357 20 5 DEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000538019730 285024900 /nfs/dbraw/zinc/02/49/00/285024900.db2.gz IHABXSVDMFNLFS-NWDGAFQWSA-N 0 1 303.362 2.317 20 5 DEBDMN O=[N+]([O-])c1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000288613084 220290276 /nfs/dbraw/zinc/29/02/76/220290276.db2.gz QVPSNZXVFCEXGG-ZBFHGGJFSA-N 0 1 300.314 2.179 20 5 DEBDMN Cc1cc(N(C)CC(=O)NC(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000272900973 210289718 /nfs/dbraw/zinc/28/97/18/210289718.db2.gz ZUDZKAIDFDPZOH-UHFFFAOYSA-N 0 1 316.361 2.412 20 5 DEBDMN Cc1nc([C@H](C)NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n[nH]1 ZINC000286512389 219028469 /nfs/dbraw/zinc/02/84/69/219028469.db2.gz XFCQUHNUVTXPCV-LURJTMIESA-N 0 1 309.713 2.166 20 5 DEBDMN O=C([O-])[C@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000158364947 197265938 /nfs/dbraw/zinc/26/59/38/197265938.db2.gz XQZXXDMNRGTUHC-CQSZACIVSA-N 0 1 308.334 2.303 20 5 DEBDMN CC(C)C[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000157486439 197191310 /nfs/dbraw/zinc/19/13/10/197191310.db2.gz AXOHEFNREGMOMN-VIFPVBQESA-N 0 1 304.343 2.447 20 5 DEBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000444910242 533139738 /nfs/dbraw/zinc/13/97/38/533139738.db2.gz VPJZIOZTZIRBHE-GHMZBOCLSA-N 0 1 322.365 2.160 20 5 DEBDMN Cc1ccccc1[C@@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000541881908 285195737 /nfs/dbraw/zinc/19/57/37/285195737.db2.gz ZEORJTAZAICQAY-OAHLLOKOSA-N 0 1 316.313 2.072 20 5 DEBDMN COC[C@@H]1CCCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000456948936 285266762 /nfs/dbraw/zinc/26/67/62/285266762.db2.gz DEYKRBXKWJKHNI-JTQLQIEISA-N 0 1 310.354 2.082 20 5 DEBDMN COc1cccc(C(=O)N2CCN(C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000444404323 533400274 /nfs/dbraw/zinc/40/02/74/533400274.db2.gz RPXJHYXFKJMPAM-ZDUSSCGKSA-N 0 1 321.377 2.016 20 5 DEBDMN Cc1[nH]nc(C(=O)N(C)C2CC(OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000422009820 533659318 /nfs/dbraw/zinc/65/93/18/533659318.db2.gz FPBQHHJVFCLFFB-UHFFFAOYSA-N 0 1 310.354 2.044 20 5 DEBDMN C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000341464239 132648185 /nfs/dbraw/zinc/64/81/85/132648185.db2.gz OJSABLLFMIANKW-FWPCIQOSSA-N 0 1 303.362 2.209 20 5 DEBDMN COC(=O)COc1ccc(CN2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355739556 133045185 /nfs/dbraw/zinc/04/51/85/133045185.db2.gz GHCHPVJOYXPKOD-NSHDSACASA-N 0 1 308.334 2.131 20 5 DEBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCC(F)(F)F)C2)nc1 ZINC000355889058 133054068 /nfs/dbraw/zinc/05/40/68/133054068.db2.gz JUBYAFRWPMLZDW-VIFPVBQESA-N 0 1 304.272 2.428 20 5 DEBDMN COCCn1cc(CNCc2cccc([N+](=O)[O-])c2C)cn1 ZINC000359805302 133146038 /nfs/dbraw/zinc/14/60/38/133146038.db2.gz VCPMOCIAZMXBMW-UHFFFAOYSA-N 0 1 304.350 2.036 20 5 DEBDMN CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000563831196 292075632 /nfs/dbraw/zinc/07/56/32/292075632.db2.gz JUEPCZSBBHMDMQ-LBPRGKRZSA-N 0 1 321.377 2.247 20 5 DEBDMN CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@H+]1C ZINC000564733275 292107769 /nfs/dbraw/zinc/10/77/69/292107769.db2.gz YAQZFYSSMQJTIZ-AWEZNQCLSA-N 0 1 307.350 2.069 20 5 DEBDMN O=[N+]([O-])c1ccc(CN[C@H](CO)Cc2ccccc2)c(F)c1 ZINC000359016832 147247053 /nfs/dbraw/zinc/24/70/53/147247053.db2.gz SPYDAOCFQWADJM-AWEZNQCLSA-N 0 1 304.321 2.427 20 5 DEBDMN CCn1ncnc1CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000359042229 147251757 /nfs/dbraw/zinc/25/17/57/147251757.db2.gz BKNXDYKBAJNOAO-AWEZNQCLSA-N 0 1 315.377 2.317 20 5 DEBDMN O=C(NCc1cnc[nH]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359126762 147267026 /nfs/dbraw/zinc/26/70/26/147267026.db2.gz NSTBCVJCKDWCNQ-UHFFFAOYSA-N 0 1 314.223 2.267 20 5 DEBDMN COC[C@H]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000112990607 401764478 /nfs/dbraw/zinc/76/44/78/401764478.db2.gz CSZXFDHTMYCKGG-OLZOCXBDSA-N 0 1 321.377 2.280 20 5 DEBDMN C[C@@H]1C[C@H](C)CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000025508700 401834763 /nfs/dbraw/zinc/83/47/63/401834763.db2.gz SSSIYKFGMUAUSQ-BETUJISGSA-N 0 1 317.389 2.462 20 5 DEBDMN COc1ccc([C@H](C)CCNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000119480910 401953137 /nfs/dbraw/zinc/95/31/37/401953137.db2.gz LCZRSAUMJRHOOP-SNVBAGLBSA-N 0 1 318.333 2.250 20 5 DEBDMN Cc1cc(C)c(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)c1 ZINC000136775849 401973689 /nfs/dbraw/zinc/97/36/89/401973689.db2.gz LJGLDSMHWXJDGB-UHFFFAOYSA-N 0 1 302.334 2.216 20 5 DEBDMN CC(C)Oc1ccccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000137444804 401983610 /nfs/dbraw/zinc/98/36/10/401983610.db2.gz VTPGIRZXQDUDNG-UHFFFAOYSA-N 0 1 304.306 2.035 20 5 DEBDMN CC[C@H](CSC)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000091099827 401993529 /nfs/dbraw/zinc/99/35/29/401993529.db2.gz VBYJLMROZTWJKW-GFCCVEGCSA-N 0 1 311.407 2.267 20 5 DEBDMN O=C(CN1C[C@@H]2CCC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000152946901 402118025 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DEBDMN CC[N@H+]1CCC[C@@H](Oc2cccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001227896862 803292173 /nfs/dbraw/zinc/29/21/73/803292173.db2.gz KDRPPWDAUDTTAP-LLVKDONJSA-N 0 1 308.334 2.245 20 5 DEBDMN C[C@H]1COCC[C@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228244203 803334561 /nfs/dbraw/zinc/33/45/61/803334561.db2.gz GQVKZQAMGFQAGD-QPUJVOFHSA-N 0 1 305.290 2.047 20 5 DEBDMN O=c1nc2cc([N+](=O)[O-])ccc2c(OC[C@@H]2CCCCO2)[nH]1 ZINC001228242477 803335314 /nfs/dbraw/zinc/33/53/14/803335314.db2.gz PFRDSTCHKOFKMP-JTQLQIEISA-N 0 1 305.290 2.192 20 5 DEBDMN C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001331750300 1149653730 /nfs/dbraw/zinc/65/37/30/1149653730.db2.gz YEHAVSPOSKWWRD-UWVGGRQHSA-N 0 1 310.329 2.290 20 5 DEBDMN C[C@H]1[C@H](C)N(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCN1C ZINC001331750300 1149653737 /nfs/dbraw/zinc/65/37/37/1149653737.db2.gz YEHAVSPOSKWWRD-UWVGGRQHSA-N 0 1 310.329 2.290 20 5 DEBDMN C[C@H](C(=O)[O-])[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Br ZINC000054068197 957520782 /nfs/dbraw/zinc/52/07/82/957520782.db2.gz AYCOUUHSOIFGII-SSDOTTSWSA-N 0 1 317.139 2.262 20 5 DEBDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Br ZINC000054068197 957520788 /nfs/dbraw/zinc/52/07/88/957520788.db2.gz AYCOUUHSOIFGII-SSDOTTSWSA-N 0 1 317.139 2.262 20 5 DEBDMN COc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001594056694 958042889 /nfs/dbraw/zinc/04/28/89/958042889.db2.gz UWEHIMRMILLSCP-CMPLNLGQSA-N 0 1 308.334 2.146 20 5 DEBDMN CC[N@H+]1CC[C@@H]1CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001596415119 984016635 /nfs/dbraw/zinc/01/66/35/984016635.db2.gz GJADSLOGGQJPLN-MRVPVSSYSA-N 0 1 313.741 2.453 20 5 DEBDMN C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593438951 995282836 /nfs/dbraw/zinc/28/28/36/995282836.db2.gz XMQHSXMWRLWIIG-GWCFXTLKSA-N 0 1 308.334 2.028 20 5 DEBDMN COC[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599203060 997352040 /nfs/dbraw/zinc/35/20/40/997352040.db2.gz KSUKDRLFRQYKHT-CYBMUJFWSA-N 0 1 308.334 2.294 20 5 DEBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001599462227 998293728 /nfs/dbraw/zinc/29/37/28/998293728.db2.gz LMVYADKTFHSOID-ZBFHGGJFSA-N 0 1 320.345 2.433 20 5 DEBDMN C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1=NN(C)CC1=O ZINC001456792174 1057910721 /nfs/dbraw/zinc/91/07/21/1057910721.db2.gz MQZVLDPLPZWKDW-ZETCQYMHSA-N 0 1 324.724 2.178 20 5 DEBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460692939 1058488754 /nfs/dbraw/zinc/48/87/54/1058488754.db2.gz ZBXSUKBOMRVDDP-KBXIAJHMSA-N 0 1 318.373 2.356 20 5 DEBDMN C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001468695703 1059837770 /nfs/dbraw/zinc/83/77/70/1059837770.db2.gz YKIIYCQVVUOZDT-KWQFWETISA-N 0 1 315.333 2.205 20 5 DEBDMN C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001468695705 1059838560 /nfs/dbraw/zinc/83/85/60/1059838560.db2.gz YKIIYCQVVUOZDT-LDYMZIIASA-N 0 1 315.333 2.205 20 5 DEBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1nccnc1CN ZINC001472652311 1060563666 /nfs/dbraw/zinc/56/36/66/1060563666.db2.gz IIXJLMBTZCASGI-UHFFFAOYSA-N 0 1 307.741 2.133 20 5 DEBDMN C/C=C(\C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001480390856 1062780808 /nfs/dbraw/zinc/78/08/08/1062780808.db2.gz SAPILEWOZVXSCV-ZNMKPQBCSA-N 0 1 315.373 2.107 20 5 DEBDMN Cc1nc([C@H](C)NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n[nH]1 ZINC001568719221 1065073311 /nfs/dbraw/zinc/07/33/11/1065073311.db2.gz OEEXSSWSMVTYRM-VIFPVBQESA-N 0 1 303.322 2.129 20 5 DEBDMN O=C(CC1CC1)NCC1(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC001569387261 1065483922 /nfs/dbraw/zinc/48/39/22/1065483922.db2.gz HNZMIKPSJLPDPZ-UHFFFAOYSA-N 0 1 303.362 2.133 20 5 DEBDMN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[N@H+]1CCCC[C@@H]1C ZINC001630105371 1078333026 /nfs/dbraw/zinc/33/30/26/1078333026.db2.gz NIUVWUGTJRTEHZ-RYUDHWBXSA-N 0 1 321.377 2.293 20 5 DEBDMN CCc1nc([C@@H](C)NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n[nH]1 ZINC001633216082 1078400150 /nfs/dbraw/zinc/40/01/50/1078400150.db2.gz CPBMBLDFEGIWKB-SNVBAGLBSA-N 0 1 317.349 2.383 20 5 DEBDMN Cc1cc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])n[nH]1 ZINC001639465683 1078614223 /nfs/dbraw/zinc/61/42/23/1078614223.db2.gz AQVSAPAASLNFAS-UHFFFAOYSA-N 0 1 301.281 2.348 20 5 DEBDMN C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccn1 ZINC001640404896 1078658453 /nfs/dbraw/zinc/65/84/53/1078658453.db2.gz LOQNISMOKKZIAD-SNVBAGLBSA-N 0 1 301.302 2.229 20 5 DEBDMN Cc1nc[nH]c1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001643783112 1078813767 /nfs/dbraw/zinc/81/37/67/1078813767.db2.gz PIGDGXCDQVXWTL-UHFFFAOYSA-N 0 1 312.289 2.269 20 5 DEBDMN C[C@H](Nc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001515986968 1068908723 /nfs/dbraw/zinc/90/87/23/1068908723.db2.gz FQFZKWDBRHDJNL-GWCFXTLKSA-N 0 1 312.801 2.294 20 5 DEBDMN CCc1ncc(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC001646326215 1074415552 /nfs/dbraw/zinc/41/55/52/1074415552.db2.gz XGESDYPOOMRANA-JTQLQIEISA-N 0 1 302.334 2.300 20 5 DEBDMN Cc1[nH]ncc1CN(C)C(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC001557153189 1075057374 /nfs/dbraw/zinc/05/73/74/1075057374.db2.gz SELLFGZPHFUELQ-VMPITWQZSA-N 0 1 300.318 2.298 20 5 DEBDMN CCc1cc(CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)n[nH]1 ZINC001565699714 1075184749 /nfs/dbraw/zinc/18/47/49/1075184749.db2.gz XYDJSVQFISECIS-UHFFFAOYSA-N 0 1 302.334 2.427 20 5 DEBDMN O=C(N[C@@H]1CCCC[C@@H]1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001587607144 1076422728 /nfs/dbraw/zinc/42/27/28/1076422728.db2.gz UNOOOTUTJVKHDR-CMPLNLGQSA-N 0 1 306.297 2.482 20 5 DEBDMN O=[N+]([O-])c1cccc(-c2nc3cc(-c4nn[nH]n4)ccc3[nH]2)c1 ZINC001593481350 1077009162 /nfs/dbraw/zinc/00/91/62/1077009162.db2.gz XKRWNMHPYQXGGT-UHFFFAOYSA-N 0 1 307.273 2.318 20 5 DEBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC001600106948 1077138080 /nfs/dbraw/zinc/13/80/80/1077138080.db2.gz MIBIJNPMDMGPLV-SNVBAGLBSA-N 0 1 322.365 2.281 20 5 DEBDMN CCn1cc([C@@H](C)[NH2+]Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cn1 ZINC001610082429 1077978074 /nfs/dbraw/zinc/97/80/74/1077978074.db2.gz JAUOCQAEXIKZQC-SNVBAGLBSA-N 0 1 318.333 2.360 20 5 DEBDMN CC(C)C[C@H]1CN(C)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC001652263927 1079862442 /nfs/dbraw/zinc/86/24/42/1079862442.db2.gz JCGVGYWGPBADCZ-ZDUSSCGKSA-N 0 1 317.393 2.409 20 5 DEBDMN O=C(N=[S@]1(=O)CCc2ccccc21)c1ccc([N+](=O)[O-])[nH]1 ZINC001652351403 1079871838 /nfs/dbraw/zinc/87/18/38/1079871838.db2.gz IQYAUOYOPMXSDH-NRFANRHFSA-N 0 1 305.315 2.146 20 5 DEBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC([C@H](F)C(N)=O)CC1 ZINC001653047403 1079911192 /nfs/dbraw/zinc/91/11/92/1079911192.db2.gz FPKAPQKKJYRAPH-HNNXBMFYSA-N 0 1 323.368 2.247 20 5 DEBDMN Cc1ccc(CN2CCC[C@H](c3nnc(N)o3)C2)cc1[N+](=O)[O-] ZINC001655205414 1079989606 /nfs/dbraw/zinc/98/96/06/1079989606.db2.gz HKNXXVUYQAPWKQ-LBPRGKRZSA-N 0 1 317.349 2.248 20 5 DEBDMN NCc1nccnc1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001655323382 1079994975 /nfs/dbraw/zinc/99/49/75/1079994975.db2.gz BGQQPPBCBJKAPB-UHFFFAOYSA-N 0 1 307.741 2.152 20 5 DEBDMN Cc1cc(OS(=O)(=O)c2c[nH]nc2Cl)ccc1[N+](=O)[O-] ZINC001661141150 1080446474 /nfs/dbraw/zinc/44/64/74/1080446474.db2.gz FQDSFUSJXZBKKI-UHFFFAOYSA-N 0 1 317.710 2.047 20 5 DEBDMN CCN(CCNCc1ccccc1[N+](=O)[O-])C(=O)C1CCC1 ZINC001268430177 1080460422 /nfs/dbraw/zinc/46/04/22/1080460422.db2.gz DURAENDFWQUREM-UHFFFAOYSA-N 0 1 305.378 2.333 20 5 DEBDMN CC(C)(C)/C=C\C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001124883665 1080510978 /nfs/dbraw/zinc/51/09/78/1080510978.db2.gz TUJFZWOQGIKGBW-PLNGDYQASA-N 0 1 311.407 2.464 20 5 DEBDMN O=C(NC/C=C/CNCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC001268505522 1080668666 /nfs/dbraw/zinc/66/86/66/1080668666.db2.gz VKGGCDYMPKOPPM-ONEGZZNKSA-N 0 1 315.329 2.264 20 5 DEBDMN C/C=C(\C)C(=O)NC/C=C\CNCc1cccc([N+](=O)[O-])c1 ZINC001482993803 1082612701 /nfs/dbraw/zinc/61/27/01/1082612701.db2.gz BJVCFTDXFYBINT-BNXXKACXSA-N 0 1 303.362 2.323 20 5 DEBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]1C(=O)N(C)C ZINC001254560784 1143248476 /nfs/dbraw/zinc/24/84/76/1143248476.db2.gz YIJDLWHKMMQMPZ-WFASDCNBSA-N 0 1 305.378 2.078 20 5 DEBDMN CCC(=O)N[C@@H]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605755 1143278427 /nfs/dbraw/zinc/27/84/27/1143278427.db2.gz DHHJLBFVVYLSPR-GDBMZVCRSA-N 0 1 317.389 2.053 20 5 DEBDMN O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC001340280847 1143315109 /nfs/dbraw/zinc/31/51/09/1143315109.db2.gz HPYOGZYWFJLPCG-XRGAULLZSA-N 0 1 315.373 2.051 20 5 DEBDMN O=C(OCc1ccc2[nH]nnc2c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001342564978 1143824105 /nfs/dbraw/zinc/82/41/05/1143824105.db2.gz ADMMLEQYFWZGRE-UHFFFAOYSA-N 0 1 316.248 2.362 20 5 DEBDMN O=C(OCc1ccc2nn[nH]c2c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001342564978 1143824106 /nfs/dbraw/zinc/82/41/06/1143824106.db2.gz ADMMLEQYFWZGRE-UHFFFAOYSA-N 0 1 316.248 2.362 20 5 DEBDMN Cc1[nH]nc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC001262109325 1144291183 /nfs/dbraw/zinc/29/11/83/1144291183.db2.gz PVZRMFMYDVKOKS-LBPRGKRZSA-N 0 1 316.365 2.016 20 5 DEBDMN CN(Cc1n[nH]c(=O)o1)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001307145058 1147399564 /nfs/dbraw/zinc/39/95/64/1147399564.db2.gz GXFRLBGZRWETIX-UHFFFAOYSA-N 0 1 318.211 2.339 20 5 DEBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001307905065 1147440541 /nfs/dbraw/zinc/44/05/41/1147440541.db2.gz LGCVKBSXFYBCOH-SLEUVZQESA-N 0 1 319.361 2.395 20 5 DEBDMN O=[N+]([O-])c1cccc(Cc2nc([C@@H]3CN4CCC3CC4)no2)c1 ZINC001325467555 1147919317 /nfs/dbraw/zinc/91/93/17/1147919317.db2.gz CNBGIUIRGFLFLB-CQSZACIVSA-N 0 1 314.345 2.378 20 5 DEBDMN O=[N+]([O-])c1ccc2c(c1NCCN1CCSCC1)CCN2 ZINC000278331563 214096108 /nfs/dbraw/zinc/09/61/08/214096108.db2.gz IKGBTFZQSPDTKV-UHFFFAOYSA-N 0 1 308.407 2.024 20 5 DEBDMN CCN(Cc1ccoc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612067278 361736248 /nfs/dbraw/zinc/73/62/48/361736248.db2.gz LIIITXXJHBGOCB-AWEZNQCLSA-N 0 1 320.345 2.450 20 5 DEBDMN O=[N+]([O-])c1ccc(OCCCN2CCOC[C@@H]2C2CC2)cc1 ZINC000090008110 185276489 /nfs/dbraw/zinc/27/64/89/185276489.db2.gz FDRUIAWHHXBTOC-MRXNPFEDSA-N 0 1 306.362 2.475 20 5 DEBDMN CC[C@H](C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000442758933 529693845 /nfs/dbraw/zinc/69/38/45/529693845.db2.gz BPZAJCWFHZJVLW-NSHDSACASA-N 0 1 323.349 2.109 20 5 DEBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000247444035 282489402 /nfs/dbraw/zinc/48/94/02/282489402.db2.gz XQNBUBJTYLIUBS-UTUOFQBUSA-N 0 1 323.418 2.284 20 5 DEBDMN Cc1ccc(CN(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])nc1 ZINC000616171955 362787036 /nfs/dbraw/zinc/78/70/36/362787036.db2.gz MRYQFOGSTPHNHL-UHFFFAOYSA-N 0 1 317.349 2.417 20 5 DEBDMN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCO[C@H]3C3CC3)nc2c1 ZINC000617239555 363063458 /nfs/dbraw/zinc/06/34/58/363063458.db2.gz IGKMWFSHDIKQCW-ABAIWWIYSA-N 0 1 303.318 2.393 20 5 DEBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000044653259 354240436 /nfs/dbraw/zinc/24/04/36/354240436.db2.gz QWHOYBXVTAAVRP-VIFPVBQESA-N 0 1 311.301 2.357 20 5 DEBDMN Cc1ccc(NC(=O)N2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000047323298 354313395 /nfs/dbraw/zinc/31/33/95/354313395.db2.gz FPHUONDZALIMHX-UHFFFAOYSA-N 0 1 318.377 2.463 20 5 DEBDMN Cc1ncc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000072665214 354912362 /nfs/dbraw/zinc/91/23/62/354912362.db2.gz SBXAZYOZXPWXFR-NSHDSACASA-N 0 1 319.390 2.441 20 5 DEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2cc[nH]n2)CC1 ZINC000332473967 235009600 /nfs/dbraw/zinc/00/96/00/235009600.db2.gz VUNQBHKQPVWQDK-UHFFFAOYSA-N 0 1 316.317 2.043 20 5 DEBDMN Cc1noc(C2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000091833625 355610288 /nfs/dbraw/zinc/61/02/88/355610288.db2.gz VTCXUAOLXBKAJQ-UHFFFAOYSA-N 0 1 318.333 2.371 20 5 DEBDMN CC(C)OC(=O)[C@@H]1CCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093535752 355683702 /nfs/dbraw/zinc/68/37/02/355683702.db2.gz BCDTYVUTVDSYHC-AWEZNQCLSA-N 0 1 308.334 2.216 20 5 DEBDMN CCOC(=O)c1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000180926461 356066491 /nfs/dbraw/zinc/06/64/91/356066491.db2.gz SRHMYISNIUFXIU-UHFFFAOYSA-N 0 1 318.289 2.055 20 5 DEBDMN COc1cc(CN(C)CC2(O)CCCC2)c([N+](=O)[O-])cc1F ZINC000184269475 199695732 /nfs/dbraw/zinc/69/57/32/199695732.db2.gz YSIBVCLUYFIUMZ-UHFFFAOYSA-N 0 1 312.341 2.479 20 5 DEBDMN COc1ccc(CNCc2ccc(CO)cc2)cc1[N+](=O)[O-] ZINC000319945603 356442144 /nfs/dbraw/zinc/44/21/44/356442144.db2.gz IYQBNEPIIUZPGP-UHFFFAOYSA-N 0 1 302.330 2.386 20 5 DEBDMN COc1ccc(CN[C@H]2CCN(C(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000579462506 356976872 /nfs/dbraw/zinc/97/68/72/356976872.db2.gz JBTVDJVAZKBHOX-LBPRGKRZSA-N 0 1 321.377 2.092 20 5 DEBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1 ZINC000276829734 213119929 /nfs/dbraw/zinc/11/99/29/213119929.db2.gz BJFVORDKNTWUJU-YUMQZZPRSA-N 0 1 307.310 2.310 20 5 DEBDMN CO[C@H](CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000592350575 357864412 /nfs/dbraw/zinc/86/44/12/357864412.db2.gz UDLLYSJXKDXTGS-CYBMUJFWSA-N 0 1 316.379 2.316 20 5 DEBDMN CC(C)c1[nH]nc(C(=O)N2CCOC[C@@H]2C2CCC2)c1[N+](=O)[O-] ZINC000592880987 357968279 /nfs/dbraw/zinc/96/82/79/357968279.db2.gz RGSHSEUWXYNRSL-LLVKDONJSA-N 0 1 322.365 2.082 20 5 DEBDMN O=C([O-])Cc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000592969313 357978840 /nfs/dbraw/zinc/97/88/40/357978840.db2.gz VUXDMJLMXPIKOI-STQMWFEESA-N 0 1 319.361 2.261 20 5 DEBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000592969264 357979124 /nfs/dbraw/zinc/97/91/24/357979124.db2.gz OJXNHTOGPWZWDO-GHMZBOCLSA-N 0 1 320.349 2.035 20 5 DEBDMN Cc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593188193 358030304 /nfs/dbraw/zinc/03/03/04/358030304.db2.gz YMBHSSZSUNCWBF-FRRDWIJNSA-N 0 1 305.378 2.456 20 5 DEBDMN Cc1ccc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593188193 358030305 /nfs/dbraw/zinc/03/03/05/358030305.db2.gz YMBHSSZSUNCWBF-FRRDWIJNSA-N 0 1 305.378 2.456 20 5 DEBDMN Cc1cc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000593188426 358030678 /nfs/dbraw/zinc/03/06/78/358030678.db2.gz GQMOZRWQUCQQLY-AGIUHOORSA-N 0 1 305.378 2.456 20 5 DEBDMN Cc1cc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000593188426 358030680 /nfs/dbraw/zinc/03/06/80/358030680.db2.gz GQMOZRWQUCQQLY-AGIUHOORSA-N 0 1 305.378 2.456 20 5 DEBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000593745056 358135002 /nfs/dbraw/zinc/13/50/02/358135002.db2.gz WRWPCESLTDJBBX-UHFFFAOYSA-N 0 1 308.334 2.290 20 5 DEBDMN CC[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593791562 358144549 /nfs/dbraw/zinc/14/45/49/358144549.db2.gz SWNRWHFUNPARMR-FZMZJTMJSA-N 0 1 308.334 2.330 20 5 DEBDMN CCn1cc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)nn1 ZINC000595067847 358385892 /nfs/dbraw/zinc/38/58/92/358385892.db2.gz IXXMSAWNWUJVPQ-HNNXBMFYSA-N 0 1 315.377 2.317 20 5 DEBDMN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000596070196 358602884 /nfs/dbraw/zinc/60/28/84/358602884.db2.gz OFCQTELAEXEDRV-LLVKDONJSA-N 0 1 317.349 2.008 20 5 DEBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](C)[C@H]2CCO)c1[N+](=O)[O-] ZINC000598067286 359085760 /nfs/dbraw/zinc/08/57/60/359085760.db2.gz IZTBUPQDPDMBCW-WDEREUQCSA-N 0 1 324.381 2.064 20 5 DEBDMN O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427924350 237038474 /nfs/dbraw/zinc/03/84/74/237038474.db2.gz OOLGNKJYGCMPLL-UHFFFAOYSA-N 0 1 315.241 2.400 20 5 DEBDMN CCC(O)(CC)CN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599672587 359565465 /nfs/dbraw/zinc/56/54/65/359565465.db2.gz GYIZKKWXQUSXPF-GFCCVEGCSA-N 0 1 323.393 2.405 20 5 DEBDMN CCC(O)(CC)CN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000599683801 359570655 /nfs/dbraw/zinc/57/06/55/359570655.db2.gz ZELBYSXOOVULHK-UHFFFAOYSA-N 0 1 324.377 2.444 20 5 DEBDMN CC(C)[C@@H]1CNCCN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000599908628 359619465 /nfs/dbraw/zinc/61/94/65/359619465.db2.gz SCKUBXKAEDGODW-DOMZBBRYSA-N 0 1 320.393 2.295 20 5 DEBDMN CN1CC2(C1)CCN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000619251669 363745122 /nfs/dbraw/zinc/74/51/22/363745122.db2.gz KNDWQMFEVDUCFW-UHFFFAOYSA-N 0 1 309.753 2.026 20 5 DEBDMN C[C@@H](C[S@@](C)=O)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602611670 360456795 /nfs/dbraw/zinc/45/67/95/360456795.db2.gz YOMVCKGXGFPYHZ-HXNGOWOSSA-N 0 1 324.324 2.470 20 5 DEBDMN Cc1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000603633309 360851092 /nfs/dbraw/zinc/85/10/92/360851092.db2.gz VRZLAZGFRXKDAV-INIZCTEOSA-N 0 1 319.405 2.200 20 5 DEBDMN COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000604097055 360885379 /nfs/dbraw/zinc/88/53/79/360885379.db2.gz FGNYEAONCNQOFQ-UHFFFAOYSA-N 0 1 318.333 2.245 20 5 DEBDMN Cc1[nH]nc(C(=O)N2CC[C@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000610305326 361383427 /nfs/dbraw/zinc/38/34/27/361383427.db2.gz WPVCOLOOEIUODO-NSHDSACASA-N 0 1 304.281 2.353 20 5 DEBDMN CSCCCN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000281483506 216332583 /nfs/dbraw/zinc/33/25/83/216332583.db2.gz GVXFQCNJUFFHHP-UHFFFAOYSA-N 0 1 308.363 2.296 20 5 DEBDMN CC[C@@H]1CN(c2cc(C)ccc2[N+](=O)[O-])CCN1CCOC ZINC000610677459 361443465 /nfs/dbraw/zinc/44/34/65/361443465.db2.gz KPGQWFNXIRGPHH-CQSZACIVSA-N 0 1 307.394 2.450 20 5 DEBDMN O=C([O-])C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610896963 361488289 /nfs/dbraw/zinc/48/82/89/361488289.db2.gz KNBPXQUCLYDDFM-LBPRGKRZSA-N 0 1 308.334 2.160 20 5 DEBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000611561865 361631971 /nfs/dbraw/zinc/63/19/71/361631971.db2.gz YMBZSEBYCXIEEQ-XPUUQOCRSA-N 0 1 320.271 2.429 20 5 DEBDMN Cc1ncc([N+](=O)[O-])n1CCN(Cc1cccnc1)C1CC1 ZINC000611560008 361632228 /nfs/dbraw/zinc/63/22/28/361632228.db2.gz SYWKKPFTTVNWGM-UHFFFAOYSA-N 0 1 301.350 2.159 20 5 DEBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C(C)(C)CO)CC1 ZINC000611516687 361619619 /nfs/dbraw/zinc/61/96/19/361619619.db2.gz WLLGIBPOGMNCAD-CQSZACIVSA-N 0 1 321.421 2.353 20 5 DEBDMN Cc1ccc(CN2CCC(N3CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000093087850 193201690 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Cc1nnc([C@H]2CCCN(c3nc(C)ccc3[N+](=O)[O-])C2)[nH]1 ZINC000268826031 293388943 /nfs/dbraw/zinc/38/89/43/293388943.db2.gz QYERHAPDMFJFRU-NSHDSACASA-N 0 1 302.338 2.109 20 5 DEBDMN CCOc1cc(C[N@H+]2CCCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000576879479 326326268 /nfs/dbraw/zinc/32/62/68/326326268.db2.gz FUVYSKMEVTXQJY-ZDUSSCGKSA-N 0 1 308.334 2.433 20 5 DEBDMN COc1ccc(C[N@@H+]([C@@H](C)C(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC000584541351 337359838 /nfs/dbraw/zinc/35/98/38/337359838.db2.gz DXOVBODUUAEGPW-JTQLQIEISA-N 0 1 308.334 2.431 20 5 DEBDMN C[C@@H](c1ccccc1)[C@H](NCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000428846052 534121770 /nfs/dbraw/zinc/12/17/70/534121770.db2.gz AMXDUNOIAYXWOT-LRDDRELGSA-N 0 1 313.357 2.342 20 5 DEBDMN COc1cc(CN(C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1F ZINC000248634844 522351216 /nfs/dbraw/zinc/35/12/16/522351216.db2.gz SYIYZLGTZLELPB-IINYFYTJSA-N 0 1 312.341 2.335 20 5 DEBDMN Cc1cnn([C@@H]2CC[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)c1 ZINC000339205138 526266982 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CC(C)[N@@H+](CCC(=O)[O-])Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000826946955 601317440 /nfs/dbraw/zinc/31/74/40/601317440.db2.gz LRBFTDGCSDIBEH-UHFFFAOYSA-N 0 1 307.306 2.421 20 5 DEBDMN CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)CNC(=O)[O-] ZINC000827445089 603626054 /nfs/dbraw/zinc/62/60/54/603626054.db2.gz UYOGDVKQTBBPOH-JTQLQIEISA-N 0 1 311.338 2.081 20 5 DEBDMN CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)CNC(=O)[O-] ZINC000827445089 603626055 /nfs/dbraw/zinc/62/60/55/603626055.db2.gz UYOGDVKQTBBPOH-JTQLQIEISA-N 0 1 311.338 2.081 20 5 DEBDMN O=C([O-])NC[C@H]1CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000832574007 604086455 /nfs/dbraw/zinc/08/64/55/604086455.db2.gz WXHXRVKJOUWRPF-CYBMUJFWSA-N 0 1 323.349 2.096 20 5 DEBDMN CN(C[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000828222957 604103795 /nfs/dbraw/zinc/10/37/95/604103795.db2.gz FXDLBNMXCAYZKC-GFCCVEGCSA-N 0 1 323.349 2.048 20 5 DEBDMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000833486452 605005021 /nfs/dbraw/zinc/00/50/21/605005021.db2.gz ISEBEQVGTBFDIS-CQSZACIVSA-N 0 1 310.350 2.061 20 5 DEBDMN CCCc1cc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)n[nH]1 ZINC001329739906 1148985801 /nfs/dbraw/zinc/98/58/01/1148985801.db2.gz WZZCIAYSDGXMBP-UHFFFAOYSA-N 0 1 300.318 2.426 20 5 DEBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@@H]([C@H]1CCOC1)C(F)(F)F ZINC000933001387 624030673 /nfs/dbraw/zinc/03/06/73/624030673.db2.gz DSDDFNKUHKUGJM-UFBFGSQYSA-N 0 1 320.267 2.357 20 5 DEBDMN O=C(N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)c1ccco1 ZINC001021780642 624072950 /nfs/dbraw/zinc/07/29/50/624072950.db2.gz BIJDXXVBVPSKBP-PHIMTYICSA-N 0 1 321.358 2.300 20 5 DEBDMN COC(=O)[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000933166736 624109934 /nfs/dbraw/zinc/10/99/34/624109934.db2.gz DNTWVNMMOWNRQX-GHMZBOCLSA-N 0 1 308.334 2.074 20 5 DEBDMN O=C(Nc1cccc(-c2nnsc2Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000892914695 625712358 /nfs/dbraw/zinc/71/23/58/625712358.db2.gz FFTWXMWFXCCTDW-RKDXNWHRSA-N 0 1 324.749 2.462 20 5 DEBDMN O=C(Oc1cccc(N=S2(=O)CCCC2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000893853013 636050997 /nfs/dbraw/zinc/05/09/97/636050997.db2.gz DRFSJRBIRUBSKH-CHWSQXEVSA-N 0 1 324.358 2.151 20 5 DEBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H](C)c1cn(C)nn1 ZINC000922635471 636292636 /nfs/dbraw/zinc/29/26/36/636292636.db2.gz RGPHTLBPPVBALQ-VNKGSWCUSA-N 0 1 301.350 2.477 20 5 DEBDMN Cc1oc(-c2ccsc2)nc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670850 636657983 /nfs/dbraw/zinc/65/79/83/636657983.db2.gz KTTMLEPRKWJQNL-MWLCHTKSSA-N 0 1 308.315 2.420 20 5 DEBDMN O=C(OCc1nnc(-c2ccccc2Cl)o1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673130 636835295 /nfs/dbraw/zinc/83/52/95/636835295.db2.gz HWYNUNDBHCQHSO-PSASIEDQSA-N 0 1 323.692 2.098 20 5 DEBDMN COc1cc(C(=O)O[C@H](C)c2n[nH]c(C)n2)c([N+](=O)[O-])cc1F ZINC000840581572 650324708 /nfs/dbraw/zinc/32/47/08/650324708.db2.gz TYLIMHZWPPJVHM-ZCFIWIBFSA-N 0 1 324.268 2.087 20 5 DEBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(CCCCCO)CC2)c1 ZINC000894964184 637345962 /nfs/dbraw/zinc/34/59/62/637345962.db2.gz MBMPKNBPDMTVSZ-UHFFFAOYSA-N 0 1 307.394 2.188 20 5 DEBDMN O=C(OCc1coc(-c2c(F)cccc2F)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000840670320 650345806 /nfs/dbraw/zinc/34/58/06/650345806.db2.gz SBBGFBJQMRCQRU-LDYMZIIASA-N 0 1 324.239 2.328 20 5 DEBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc(-c2cccs2)no1 ZINC000840672470 650346951 /nfs/dbraw/zinc/34/69/51/650346951.db2.gz KANURZINMMAMOD-BWZBUEFSSA-N 0 1 309.303 2.068 20 5 DEBDMN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CN(C)CCN1C ZINC000895246770 637847951 /nfs/dbraw/zinc/84/79/51/637847951.db2.gz CBQVLFRRIPEGGZ-QMTHXVAHSA-N 0 1 312.801 2.294 20 5 DEBDMN COc1cc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1OC(C)C ZINC000839523951 637896484 /nfs/dbraw/zinc/89/64/84/637896484.db2.gz YVXRPBVAGPIYAM-CYZMBNFOSA-N 0 1 322.361 2.325 20 5 DEBDMN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839508019 637899159 /nfs/dbraw/zinc/89/91/59/637899159.db2.gz NTNQPYUBHRZRSM-GHMZBOCLSA-N 0 1 318.251 2.209 20 5 DEBDMN CCCN(Cn1cc([N+](=O)[O-])cn1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000740858831 637911464 /nfs/dbraw/zinc/91/14/64/637911464.db2.gz LKXQNOUCWSTETK-MGPQQGTHSA-N 0 1 308.382 2.274 20 5 DEBDMN COC(=O)[C@H]1[C@H](CN[C@H](C)c2ccccc2[N+](=O)[O-])C1(F)F ZINC000895477677 638045599 /nfs/dbraw/zinc/04/55/99/638045599.db2.gz ZRIMBLPFZHHPDR-UBHAPETDSA-N 0 1 314.288 2.300 20 5 DEBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000895670921 638143129 /nfs/dbraw/zinc/14/31/29/638143129.db2.gz XMXVOIDCKCWWQV-CQSZACIVSA-N 0 1 305.378 2.426 20 5 DEBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCN1C(C)(C)C ZINC000895670921 638143133 /nfs/dbraw/zinc/14/31/33/638143133.db2.gz XMXVOIDCKCWWQV-CQSZACIVSA-N 0 1 305.378 2.426 20 5 DEBDMN CCCOc1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1OC ZINC000841013881 650406453 /nfs/dbraw/zinc/40/64/53/650406453.db2.gz YNLYDEYRLKRYBI-VXGBXAGGSA-N 0 1 309.318 2.192 20 5 DEBDMN O=C1CC2(CCC2)N(C/C=C\c2ccccc2[N+](=O)[O-])CCN1 ZINC000895929060 638272215 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O=[N+]([O-])c1ccc(-c2nc(CN[C@H](CO)C3CC3)co2)cc1 ZINC000763086252 640503021 /nfs/dbraw/zinc/50/30/21/640503021.db2.gz REULNGCBKJLCLE-CQSZACIVSA-N 0 1 303.318 2.110 20 5 DEBDMN Cc1nn(CN2CC[C@]3(CCOC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765083085 640735772 /nfs/dbraw/zinc/73/57/72/640735772.db2.gz TZEPQRVLANLOKI-INIZCTEOSA-N 0 1 316.361 2.323 20 5 DEBDMN C[C@H](N[C@@H]1CCc2nnn(C)c2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000927141328 641747911 /nfs/dbraw/zinc/74/79/11/641747911.db2.gz HUMMISXNKWXLOK-VHSXEESVSA-N 0 1 319.340 2.071 20 5 DEBDMN COC1CCN(Cc2cc(-c3ccc([N+](=O)[O-])o3)no2)CC1 ZINC000901398872 642649193 /nfs/dbraw/zinc/64/91/93/642649193.db2.gz LTUUOFIKSXEVQT-UHFFFAOYSA-N 0 1 307.306 2.454 20 5 DEBDMN COCC[N@@H+](CCC(=O)[O-])C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000901663015 642746747 /nfs/dbraw/zinc/74/67/47/642746747.db2.gz USELNVADKVEEHI-RAXLEYEMSA-N 0 1 322.361 2.421 20 5 DEBDMN O=C([O-])[C@@H]1CSCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000901890018 642811431 /nfs/dbraw/zinc/81/14/31/642811431.db2.gz GISUVTQYMJZHKF-DXTPNHAXSA-N 0 1 322.386 2.358 20 5 DEBDMN CCCn1cc([C@H](C)NCCc2cccc([N+](=O)[O-])c2)nn1 ZINC000902890288 643180025 /nfs/dbraw/zinc/18/00/25/643180025.db2.gz ZCDWPDVIWUZLDV-LBPRGKRZSA-N 0 1 303.366 2.490 20 5 DEBDMN COC[C@H](N[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000903158327 643271542 /nfs/dbraw/zinc/27/15/42/643271542.db2.gz IFEQUHJWGLLQJR-KNXALSJPSA-N 0 1 324.377 2.448 20 5 DEBDMN COc1cc([C@H](C)N[C@H](C)C(=O)NC(C)C)cc([N+](=O)[O-])c1 ZINC000903189420 643287291 /nfs/dbraw/zinc/28/72/91/643287291.db2.gz BTNIRLXXIYNINH-WDEREUQCSA-N 0 1 309.366 2.167 20 5 DEBDMN O=C(CCNCC[N+](=O)[O-])Nc1cc(Cl)cc(Cl)c1 ZINC000905273243 643852775 /nfs/dbraw/zinc/85/27/75/643852775.db2.gz KQGZERUMUGSPGJ-UHFFFAOYSA-N 0 1 306.149 2.188 20 5 DEBDMN C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792874130 644162691 /nfs/dbraw/zinc/16/26/91/644162691.db2.gz UQLKAWMTBHGMLS-GHMZBOCLSA-N 0 1 308.338 2.027 20 5 DEBDMN 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Cc1nnc([C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)[nH]1 ZINC000413558305 534613387 /nfs/dbraw/zinc/61/33/87/534613387.db2.gz WBTVKIHUZUOLTM-QMMMGPOBSA-N 0 1 308.729 2.064 20 5 DEBDMN CC[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Oc1ccccc1F ZINC000132372210 522189981 /nfs/dbraw/zinc/18/99/81/522189981.db2.gz JKCOAIGCOCKXBC-SECBINFHSA-N 0 1 322.296 2.044 20 5 DEBDMN Cc1ccc([C@@H](C)NCC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000128139198 525721724 /nfs/dbraw/zinc/72/17/24/525721724.db2.gz NWRCOVYMIDNTIU-GFCCVEGCSA-N 0 1 317.345 2.463 20 5 DEBDMN CCC[C@H]1CNCCN1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000418078563 528412913 /nfs/dbraw/zinc/41/29/13/528412913.db2.gz JPPXEDYXJHOKJD-AWEZNQCLSA-N 0 1 320.393 2.187 20 5 DEBDMN CC[C@@H](C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000442758932 529348221 /nfs/dbraw/zinc/34/82/21/529348221.db2.gz BPZAJCWFHZJVLW-LLVKDONJSA-N 0 1 323.349 2.109 20 5 DEBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2cc(C)on2)c1[N+](=O)[O-] ZINC000373050531 535999078 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O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000840672899 650347040 /nfs/dbraw/zinc/34/70/40/650347040.db2.gz ZUMNDSMUEPVBMG-NXEZZACHSA-N 0 1 317.219 2.097 20 5 DEBDMN COc1cc([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1OC(C)C ZINC000839523953 637896118 /nfs/dbraw/zinc/89/61/18/637896118.db2.gz YVXRPBVAGPIYAM-RAIGVLPGSA-N 0 1 322.361 2.325 20 5 DEBDMN COc1ccc(CNC(=O)[C@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000895812044 638210840 /nfs/dbraw/zinc/21/08/40/638210840.db2.gz JKQCVRDYJXSFFE-GFCCVEGCSA-N 0 1 321.377 2.092 20 5 DEBDMN CCN1CC[C@H]1CNC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000896460619 638534307 /nfs/dbraw/zinc/53/43/07/638534307.db2.gz LZVCUJYWBHCXDN-STQMWFEESA-N 0 1 320.393 2.092 20 5 DEBDMN CN(Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)C2CC2)CC1 ZINC000985192033 639138220 /nfs/dbraw/zinc/13/82/20/639138220.db2.gz SNVHHLCADGBQNQ-UHFFFAOYSA-N 0 1 323.418 2.489 20 5 DEBDMN C[C@H]1CN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C[C@@H]1C ZINC000752792872 639220830 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CC(C)N(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCC(=O)N1 ZINC000839670344 639797977 /nfs/dbraw/zinc/79/79/77/639797977.db2.gz UFZDTMPHQDFQLW-GFCCVEGCSA-N 0 1 309.341 2.223 20 5 DEBDMN Cc1ccc(-n2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cn2)c(C)c1 ZINC000839734180 639807974 /nfs/dbraw/zinc/80/79/74/639807974.db2.gz RGUXXGUNJANGOM-TZMCWYRMSA-N 0 1 300.318 2.093 20 5 DEBDMN O=C(NCC1(c2ccc(F)cc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839717385 639822274 /nfs/dbraw/zinc/82/22/74/639822274.db2.gz HBRPYEQNCRWASG-BXKDBHETSA-N 0 1 312.728 2.292 20 5 DEBDMN CCOc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ncccc12 ZINC000839725345 639826245 /nfs/dbraw/zinc/82/62/45/639826245.db2.gz MRFQROCOAGRRJU-ZYHUDNBSSA-N 0 1 301.302 2.237 20 5 DEBDMN CC(C)c1ccc(O[C@@H](C)CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839764402 639831008 /nfs/dbraw/zinc/83/10/08/639831008.db2.gz AZANGOJXQBTQHU-NILFDRSVSA-N 0 1 306.362 2.359 20 5 DEBDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000764892464 640710313 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O=c1[nH]c(C2CC2)nc(O[C@@H]2CC(F)(F)C2(F)F)c1[N+](=O)[O-] ZINC001228609285 803381068 /nfs/dbraw/zinc/38/10/68/803381068.db2.gz CHINEBPJWNJMMQ-RXMQYKEDSA-N 0 1 323.202 2.390 20 5 DEBDMN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1cnccn1 ZINC001335352161 1150399008 /nfs/dbraw/zinc/39/90/08/1150399008.db2.gz KLWIZOSTNGZKHA-LLVKDONJSA-N 0 1 315.333 2.064 20 5 DEBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC001329674858 961297295 /nfs/dbraw/zinc/29/72/95/961297295.db2.gz CDPYIEYMSXDTGX-SWLSCSKDSA-N 0 1 320.345 2.294 20 5 DEBDMN C[C@]([NH2+]Cc1cccc(F)n1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593304052 994742247 /nfs/dbraw/zinc/74/22/47/994742247.db2.gz GTRBQODSEAJLQG-OAHLLOKOSA-N 0 1 319.292 2.219 20 5 DEBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC001593704063 996183082 /nfs/dbraw/zinc/18/30/82/996183082.db2.gz YPLMXVZBISNXAW-CMPLNLGQSA-N 0 1 310.375 2.405 20 5 DEBDMN O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCCN1CC[C@H](O)C1 ZINC001346068396 1150938616 /nfs/dbraw/zinc/93/86/16/1150938616.db2.gz NIZFSPXSYKASMQ-JTQLQIEISA-N 0 1 319.283 2.092 20 5 DEBDMN Cc1nn(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc12 ZINC001610571867 1078044197 /nfs/dbraw/zinc/04/41/97/1078044197.db2.gz CZQNRNUTJPEUEQ-OAHLLOKOSA-N 0 1 318.333 2.007 20 5 DEBDMN O=C([O-])c1ccnc(NC[C@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC001602483516 1069654667 /nfs/dbraw/zinc/65/46/67/1069654667.db2.gz MQOUDJAIZUXBLO-LLVKDONJSA-N 0 1 320.349 2.117 20 5 DEBDMN CC[N@H+]1CC[C@H]1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001605474559 1070727708 /nfs/dbraw/zinc/72/77/08/1070727708.db2.gz JNKZQTWYLJWJTP-RNZFLTOJSA-N 0 1 305.334 2.199 20 5 DEBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C3CC3)C[C@H]2C2CC2)c1[N+](=O)[O-] ZINC001456558156 1057877021 /nfs/dbraw/zinc/87/70/21/1057877021.db2.gz YYIBGPUBBOBLLV-RYUDHWBXSA-N 0 1 304.350 2.277 20 5 DEBDMN O=[N+]([O-])c1cc(Cl)ccc1NCc1nnc([C@@H]2CCOC2)[nH]1 ZINC001458487030 1058065938 /nfs/dbraw/zinc/06/59/38/1058065938.db2.gz ANEUPAPVJIOALK-MRVPVSSYSA-N 0 1 323.740 2.482 20 5 DEBDMN O=[N+]([O-])c1cc(Cl)ccc1NCc1n[nH]c([C@@H]2CCOC2)n1 ZINC001458487030 1058065941 /nfs/dbraw/zinc/06/59/41/1058065941.db2.gz ANEUPAPVJIOALK-MRVPVSSYSA-N 0 1 323.740 2.482 20 5 DEBDMN Cc1ccc(CNS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])o1 ZINC001464181483 1059091428 /nfs/dbraw/zinc/09/14/28/1059091428.db2.gz VWHAFGZGYGGZGF-UHFFFAOYSA-N 0 1 316.360 2.345 20 5 DEBDMN CCSc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC001471555624 1060241347 /nfs/dbraw/zinc/24/13/47/1060241347.db2.gz XDXYUPHDVROELB-UHFFFAOYSA-N 0 1 306.347 2.360 20 5 DEBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2COC(C)(C)C)c1[N+](=O)[O-] ZINC001471773788 1060289526 /nfs/dbraw/zinc/28/95/26/1060289526.db2.gz FIUYBJVOMVEOML-JTQLQIEISA-N 0 1 324.381 2.300 20 5 DEBDMN O=C([O-])CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC001610773239 1078074800 /nfs/dbraw/zinc/07/48/00/1078074800.db2.gz LUTWEAVAKZCTKZ-HDJSIYSDSA-N 0 1 322.361 2.175 20 5 DEBDMN CCN(CCNCc1csc([N+](=O)[O-])c1)C(=O)c1cc[nH]c1 ZINC001568743007 1065094814 /nfs/dbraw/zinc/09/48/14/1065094814.db2.gz ILBANTAAFGTZOF-UHFFFAOYSA-N 0 1 322.390 2.236 20 5 DEBDMN C[C@@H](NCc1cnc(N(C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC001620728193 1078168088 /nfs/dbraw/zinc/16/80/88/1078168088.db2.gz HLSUHKKTZUROEV-LLVKDONJSA-N 0 1 301.350 2.302 20 5 DEBDMN C[C@H]1CCC[C@]1(O)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001621357711 1078172578 /nfs/dbraw/zinc/17/25/78/1078172578.db2.gz HONQNZFWYXXMSB-BONVTDFDSA-N 0 1 305.334 2.377 20 5 DEBDMN C[C@@H]1CCC[C@@]1(O)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001621357712 1078172976 /nfs/dbraw/zinc/17/29/76/1078172976.db2.gz HONQNZFWYXXMSB-MEBBXXQBSA-N 0 1 305.334 2.377 20 5 DEBDMN CCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)n[nH]1 ZINC001624416973 1078222159 /nfs/dbraw/zinc/22/21/59/1078222159.db2.gz UTTFNPXUSCAHDK-QMMMGPOBSA-N 0 1 321.312 2.214 20 5 DEBDMN Cc1nnc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC001626464794 1078256168 /nfs/dbraw/zinc/25/61/68/1078256168.db2.gz KYVMFHJDODDHJB-UHFFFAOYSA-N 0 1 309.713 2.246 20 5 DEBDMN CCc1cc(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001627676579 1078280863 /nfs/dbraw/zinc/28/08/63/1078280863.db2.gz JRHMUROZKKDHSF-LSDHHAIUSA-N 0 1 314.345 2.300 20 5 DEBDMN CC(C)(CCC(=O)Nc1ccccc1-c1nnc[nH]1)[N+](=O)[O-] ZINC001632051627 1078377480 /nfs/dbraw/zinc/37/74/80/1078377480.db2.gz PATPDMSJAGPKQB-UHFFFAOYSA-N 0 1 303.322 2.246 20 5 DEBDMN Cc1ccc(CNC(=O)[C@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC001632372394 1078382100 /nfs/dbraw/zinc/38/21/00/1078382100.db2.gz ZWQAFDOAVGQHFA-LBPRGKRZSA-N 0 1 314.345 2.048 20 5 DEBDMN C[C@@H]1Cc2n[nH]cc2CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001620582325 1067507417 /nfs/dbraw/zinc/50/74/17/1067507417.db2.gz GLGVRGQWXNAUHE-BZNIZROVSA-N 0 1 316.361 2.046 20 5 DEBDMN Cc1ccc(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])[C@H](C)C2)cc1C ZINC001539834657 1072390475 /nfs/dbraw/zinc/39/04/75/1072390475.db2.gz SFQJBHRCGHKKPL-FVQBIDKESA-N 0 1 317.389 2.006 20 5 DEBDMN O=C(Nc1nncs1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001543201683 1072482447 /nfs/dbraw/zinc/48/24/47/1072482447.db2.gz AZDQJBUYLDJVHA-UHFFFAOYSA-N 0 1 316.302 2.089 20 5 DEBDMN NCc1nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC001580355713 1075910230 /nfs/dbraw/zinc/91/02/30/1075910230.db2.gz QTIFQRNRHSZSGH-UHFFFAOYSA-N 0 1 311.301 2.182 20 5 DEBDMN O=C(NCc1cnc[nH]1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001586553173 1076401780 /nfs/dbraw/zinc/40/17/80/1076401780.db2.gz AYTHIEWCNOXBTH-UHFFFAOYSA-N 0 1 314.223 2.267 20 5 DEBDMN CC(C)CCN(C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589600317 1076501021 /nfs/dbraw/zinc/50/10/21/1076501021.db2.gz ALZYNHLGDUIMRL-UHFFFAOYSA-N 0 1 304.354 2.253 20 5 DEBDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001596958975 1077085606 /nfs/dbraw/zinc/08/56/06/1077085606.db2.gz QZEWWBCSFQMDRD-ZUZCIYMTSA-N 0 1 314.345 2.300 20 5 DEBDMN Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600278976 1077175562 /nfs/dbraw/zinc/17/55/62/1077175562.db2.gz CSNGHFLXUWQVGR-WCFLWFBJSA-N 0 1 319.361 2.354 20 5 DEBDMN O=C([O-])C[C@H]1CCCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001601949728 1077481943 /nfs/dbraw/zinc/48/19/43/1077481943.db2.gz ZDRUTCCMVUVRSF-GFCCVEGCSA-N 0 1 318.333 2.231 20 5 DEBDMN O=[N+]([O-])c1cccc(Br)c1CNCC1(CO)CC1 ZINC001650638053 1079766728 /nfs/dbraw/zinc/76/67/28/1079766728.db2.gz OXMFSYZYABBEML-UHFFFAOYSA-N 0 1 315.167 2.219 20 5 DEBDMN O=[N+]([O-])c1ccc(Cl)c(Cl)c1NCc1n[nH]c(CO)n1 ZINC001652081495 1079850199 /nfs/dbraw/zinc/85/01/99/1079850199.db2.gz DDVUPFLKILRYOT-UHFFFAOYSA-N 0 1 318.120 2.124 20 5 DEBDMN O=[N+]([O-])c1ccc(Cl)c(Cl)c1NCc1nnc(CO)[nH]1 ZINC001652081495 1079850201 /nfs/dbraw/zinc/85/02/01/1079850201.db2.gz DDVUPFLKILRYOT-UHFFFAOYSA-N 0 1 318.120 2.124 20 5 DEBDMN CC[C@H](NCC(=O)Nc1cccnn1)c1cccc([N+](=O)[O-])c1 ZINC001653970917 1079945066 /nfs/dbraw/zinc/94/50/66/1079945066.db2.gz BLVFVDBMIUPIGB-ZDUSSCGKSA-N 0 1 315.333 2.064 20 5 DEBDMN Cc1n[nH]c(=O)c(CNCc2cccc([N+](=O)[O-])c2C)c1C ZINC001655543696 1080003601 /nfs/dbraw/zinc/00/36/01/1080003601.db2.gz KPMVIGVVHRISMS-UHFFFAOYSA-N 0 1 302.334 2.305 20 5 DEBDMN C/C=C(\C)C(=O)N(C)CCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001667549520 1081262451 /nfs/dbraw/zinc/26/24/51/1081262451.db2.gz ULYCCIDZGGTGLH-WLRTZDKTSA-N 0 1 305.378 2.451 20 5 DEBDMN COc1ccc(F)c(-c2noc(-c3[nH]cnc3[N+](=O)[O-])n2)c1 ZINC001212893340 1087755814 /nfs/dbraw/zinc/75/58/14/1087755814.db2.gz YVRBBXIYNSWODJ-UHFFFAOYSA-N 0 1 305.225 2.183 20 5 DEBDMN Cc1cc(C)c(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC001299356714 1091367714 /nfs/dbraw/zinc/36/77/14/1091367714.db2.gz UPWXUTQCGOPTHB-UHFFFAOYSA-N 0 1 301.302 2.242 20 5 DEBDMN CN(CCCNC(=O)c1cc[nH]c1)Cc1ccccc1[N+](=O)[O-] ZINC001490200696 1093221916 /nfs/dbraw/zinc/22/19/16/1093221916.db2.gz UARURUKCJKGYOO-UHFFFAOYSA-N 0 1 316.361 2.175 20 5 DEBDMN CCOc1cccc(N[C@@H](C)[C@H]2CN(C)CCN2C)c1[N+](=O)[O-] ZINC001336726222 1142548504 /nfs/dbraw/zinc/54/85/04/1142548504.db2.gz NMNIUMVOZXSHME-GXTWGEPZSA-N 0 1 322.409 2.040 20 5 DEBDMN CC(C)(C)N1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001252784586 1142817088 /nfs/dbraw/zinc/81/70/88/1142817088.db2.gz GGXOFIUJZHRQRA-UHFFFAOYSA-N 0 1 319.405 2.470 20 5 DEBDMN CC(C)(C)OC(=O)NCc1ccc(CNCC[N+](=O)[O-])cc1 ZINC001338475465 1142858720 /nfs/dbraw/zinc/85/87/20/1142858720.db2.gz RTNLKXSQABVLFS-UHFFFAOYSA-N 0 1 309.366 2.078 20 5 DEBDMN C[C@](N)(C(=O)N[C@H]1CCC[C@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC001261874303 1144279984 /nfs/dbraw/zinc/27/99/84/1144279984.db2.gz WZYCETKAWSWTAY-SLEUVZQESA-N 0 1 309.341 2.166 20 5 DEBDMN CN1CCCC[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001262652905 1144324824 /nfs/dbraw/zinc/32/48/24/1144324824.db2.gz TUAVDLWSOZZAMD-SNVBAGLBSA-N 0 1 311.769 2.462 20 5 DEBDMN CCN1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001329639916 1148953312 /nfs/dbraw/zinc/95/33/12/1148953312.db2.gz QPBJCWYBSKAANM-UHFFFAOYSA-N 0 1 321.768 2.333 20 5 DEBDMN CN(CCNCc1ccccc1[N+](=O)[O-])C(=O)CCC1CC1 ZINC001317574917 1147727552 /nfs/dbraw/zinc/72/75/52/1147727552.db2.gz SRGQWKHJQBCWPZ-UHFFFAOYSA-N 0 1 305.378 2.333 20 5 DEBDMN COc1ccc(S(=O)(=O)Nc2cncc(C)c2)c([N+](=O)[O-])c1 ZINC000175921260 282196696 /nfs/dbraw/zinc/19/66/96/282196696.db2.gz GVWKPRMGFKMMOL-UHFFFAOYSA-N 0 1 323.330 2.108 20 5 DEBDMN CC(C)(O)CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000614587616 362414842 /nfs/dbraw/zinc/41/48/42/362414842.db2.gz SJUGOMBOSJXOGK-UHFFFAOYSA-N 0 1 305.334 2.471 20 5 DEBDMN Cc1cc(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000181826657 199358475 /nfs/dbraw/zinc/35/84/75/199358475.db2.gz CYFFVRPQLLGLIX-LLVKDONJSA-N 0 1 318.333 2.489 20 5 DEBDMN CCC1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCOCC1 ZINC000272657445 210061741 /nfs/dbraw/zinc/06/17/41/210061741.db2.gz GKTHCDZAZRVBTK-UHFFFAOYSA-N 0 1 308.334 2.237 20 5 DEBDMN CNC(=O)OC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000287090052 219306074 /nfs/dbraw/zinc/30/60/74/219306074.db2.gz XAIJCWQSZGKBLL-CQSZACIVSA-N 0 1 307.350 2.305 20 5 DEBDMN CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000149461005 186050046 /nfs/dbraw/zinc/05/00/46/186050046.db2.gz JRGCJMNDYRYOJT-JTQLQIEISA-N 0 1 311.769 2.414 20 5 DEBDMN O=[N+]([O-])c1cc(CN(CCCCO)C2CC2)c2c(c1)COCO2 ZINC000152519534 186081290 /nfs/dbraw/zinc/08/12/90/186081290.db2.gz HLWXCBMQJQDLOA-UHFFFAOYSA-N 0 1 322.361 2.198 20 5 DEBDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000155686818 186102929 /nfs/dbraw/zinc/10/29/29/186102929.db2.gz BHBZKDCKRINEKD-BHAGLWOSSA-N 0 1 303.362 2.159 20 5 DEBDMN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCO[C@@H]3C3CC3)nc2c1 ZINC000617239558 363063342 /nfs/dbraw/zinc/06/33/42/363063342.db2.gz IGKMWFSHDIKQCW-XHDPSFHLSA-N 0 1 303.318 2.393 20 5 DEBDMN CN(CCc1cccs1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072800700 191231168 /nfs/dbraw/zinc/23/11/68/191231168.db2.gz JOKBQGJRHCMDLF-UHFFFAOYSA-N 0 1 319.386 2.430 20 5 DEBDMN CCc1ccc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000174179058 198302006 /nfs/dbraw/zinc/30/20/06/198302006.db2.gz HQLDPZFHXZESMM-NSHDSACASA-N 0 1 305.378 2.370 20 5 DEBDMN CNC(=O)CC1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000175005257 198413770 /nfs/dbraw/zinc/41/37/70/198413770.db2.gz LCXDBZYZJAPUJX-UHFFFAOYSA-N 0 1 305.378 2.251 20 5 DEBDMN Cc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000026154536 354080750 /nfs/dbraw/zinc/08/07/50/354080750.db2.gz ZGPPPQJNQIEZMD-UHFFFAOYSA-N 0 1 307.335 2.061 20 5 DEBDMN Cc1n[nH]c(SCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000026154536 354080753 /nfs/dbraw/zinc/08/07/53/354080753.db2.gz ZGPPPQJNQIEZMD-UHFFFAOYSA-N 0 1 307.335 2.061 20 5 DEBDMN CN(CCC(=O)N1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000046599278 354287089 /nfs/dbraw/zinc/28/70/89/354287089.db2.gz CUCRTIUZKRHGSR-UHFFFAOYSA-N 0 1 305.378 2.429 20 5 DEBDMN CCN(CC)C(=O)CN(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055899798 354514713 /nfs/dbraw/zinc/51/47/13/354514713.db2.gz HRJPRZFRMKDCMK-UHFFFAOYSA-N 0 1 323.393 2.164 20 5 DEBDMN Cc1[nH]nc(C(=O)N2CC(Cc3ccccc3C)C2)c1[N+](=O)[O-] ZINC000085478297 355494273 /nfs/dbraw/zinc/49/42/73/355494273.db2.gz HSMPWUBMDUMEIF-UHFFFAOYSA-N 0 1 314.345 2.249 20 5 DEBDMN CCOC(=O)CN(Cc1cc(O)ccc1[N+](=O)[O-])CC(C)C ZINC000091775357 355609115 /nfs/dbraw/zinc/60/91/15/355609115.db2.gz QCFCAMOWZKKBQZ-UHFFFAOYSA-N 0 1 310.350 2.322 20 5 DEBDMN Cc1nn(C)c2ncc(CNCc3ccccc3[N+](=O)[O-])cc12 ZINC000237852753 356301342 /nfs/dbraw/zinc/30/13/42/356301342.db2.gz JVUFTDACTVYVIY-UHFFFAOYSA-N 0 1 311.345 2.475 20 5 DEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](N2CCOCC2)C1 ZINC000579370108 356965467 /nfs/dbraw/zinc/96/54/67/356965467.db2.gz YDHXKRIWOMGIIG-CABCVRRESA-N 0 1 319.405 2.452 20 5 DEBDMN C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC000580956200 357107705 /nfs/dbraw/zinc/10/77/05/357107705.db2.gz YPJIOJOMGISQJU-BXUZGUMPSA-N 0 1 308.334 2.159 20 5 DEBDMN O=C1[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H]2CCCCN12 ZINC000581379951 357178274 /nfs/dbraw/zinc/17/82/74/357178274.db2.gz CLQFNYSEWGSPPB-KCPJHIHWSA-N 0 1 315.373 2.325 20 5 DEBDMN Cc1ccc2c(c1)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CCC2 ZINC000179403713 199029671 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2.184 20 5 DEBDMN COCCCn1nccc1CNCc1cccc([N+](=O)[O-])c1C ZINC000338444002 523520940 /nfs/dbraw/zinc/52/09/40/523520940.db2.gz GOICODXVENSFAM-UHFFFAOYSA-N 0 1 318.377 2.426 20 5 DEBDMN COC[C@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000456929939 536504234 /nfs/dbraw/zinc/50/42/34/536504234.db2.gz GZXAGBZRSACMAS-LLVKDONJSA-N 0 1 318.333 2.112 20 5 DEBDMN Nc1c(C(=O)Nc2ccccc2-c2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000364816065 527430067 /nfs/dbraw/zinc/43/00/67/527430067.db2.gz UZJWCDPLNDGTBZ-UHFFFAOYSA-N 0 1 324.300 2.214 20 5 DEBDMN CC(C)N(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000292646785 528791537 /nfs/dbraw/zinc/79/15/37/528791537.db2.gz BEBZPNNZMBYSRY-LLVKDONJSA-N 0 1 318.333 2.111 20 5 DEBDMN CCOCC[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000444661488 528859319 /nfs/dbraw/zinc/85/93/19/528859319.db2.gz LHERICRHBIIELI-OAHLLOKOSA-N 0 1 308.378 2.347 20 5 DEBDMN CC[C@H](C)[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)OC ZINC000295753755 529212738 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ZINC000834096303 605968164 /nfs/dbraw/zinc/96/81/64/605968164.db2.gz VSTCKLMXNVBRIS-MNOVXSKESA-N 0 1 311.363 2.373 20 5 DEBDMN CC[C@@H](C)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001355082099 1151979826 /nfs/dbraw/zinc/97/98/26/1151979826.db2.gz UKOQHDVXYMYDEA-GFCCVEGCSA-N 0 1 320.393 2.331 20 5 DEBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@]2(C)CN3CCC2CC3)c1C ZINC000892759342 625557218 /nfs/dbraw/zinc/55/72/18/625557218.db2.gz OITQEADXQCOEPM-QGZVFWFLSA-N 0 1 317.389 2.426 20 5 DEBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933681609 624598277 /nfs/dbraw/zinc/59/82/77/624598277.db2.gz PTTFVUQISDUGGY-DZGCQCFKSA-N 0 1 322.361 2.070 20 5 DEBDMN Cc1c(C(=O)OCCCN2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000893392194 633243553 /nfs/dbraw/zinc/24/35/53/633243553.db2.gz CQOFAJSTIKPISR-GFCCVEGCSA-N 0 1 322.361 2.171 20 5 DEBDMN O=C(CCCn1cccn1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837476690 650203678 /nfs/dbraw/zinc/20/36/78/650203678.db2.gz YXEJLGVMNZRDBY-UHFFFAOYSA-N 0 1 305.290 2.021 20 5 DEBDMN C[C@@H]1CC(=O)CC[C@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837603565 650229385 /nfs/dbraw/zinc/22/93/85/650229385.db2.gz LAQGFQTUZMOSSL-NOZJJQNGSA-N 0 1 307.302 2.349 20 5 DEBDMN CC[C@]1(CO)CCCN1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893909149 636062956 /nfs/dbraw/zinc/06/29/56/636062956.db2.gz XPDZKPVCYYEBPD-OAHLLOKOSA-N 0 1 310.350 2.046 20 5 DEBDMN Cc1oc(-c2cccs2)nc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672174 650346787 /nfs/dbraw/zinc/34/67/87/650346787.db2.gz NEKZDHFUMQXPEW-PSASIEDQSA-N 0 1 308.315 2.420 20 5 DEBDMN C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CN(C)CCN1C ZINC000895246769 637848457 /nfs/dbraw/zinc/84/84/57/637848457.db2.gz CBQVLFRRIPEGGZ-IINYFYTJSA-N 0 1 312.801 2.294 20 5 DEBDMN CC(C)c1ccc(CN2C[C@@H](O)C[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000895331108 637939055 /nfs/dbraw/zinc/93/90/55/637939055.db2.gz NOUIQMPSPOPARC-XJKSGUPXSA-N 0 1 308.378 2.036 20 5 DEBDMN COc1c(O)ccc(CN[C@H]2COC3(CCC3)C2)c1[N+](=O)[O-] ZINC000895362624 637972675 /nfs/dbraw/zinc/97/26/75/637972675.db2.gz MSZTXWSZHBQPRK-LLVKDONJSA-N 0 1 308.334 2.110 20 5 DEBDMN O=[N+]([O-])c1cc2c(cc1CNCCOC1CCC1)OCCO2 ZINC000742387741 638067092 /nfs/dbraw/zinc/06/70/92/638067092.db2.gz UZDVBPTXMKGFBD-UHFFFAOYSA-N 0 1 308.334 2.025 20 5 DEBDMN COc1ccc(Br)c(OC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000841199744 650454741 /nfs/dbraw/zinc/45/47/41/650454741.db2.gz PUBJRXAUFAPIOP-VXNVDRBHSA-N 0 1 316.107 2.028 20 5 DEBDMN O=[N+]([O-])c1ccc(CN2CCC(c3nc[nH]n3)CC2)c(F)c1 ZINC000751500113 639087761 /nfs/dbraw/zinc/08/77/61/639087761.db2.gz KHLMBNJIIJIBCK-UHFFFAOYSA-N 0 1 305.313 2.232 20 5 DEBDMN COC[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000754332743 639416686 /nfs/dbraw/zinc/41/66/86/639416686.db2.gz HZXFAYRTJNFUGF-UONOGXRCSA-N 0 1 306.318 2.199 20 5 DEBDMN COC[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000754332742 639416714 /nfs/dbraw/zinc/41/67/14/639416714.db2.gz HZXFAYRTJNFUGF-KGLIPLIRSA-N 0 1 306.318 2.199 20 5 DEBDMN Cc1nn(CN2CCS[C@H](C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000754883016 639489945 /nfs/dbraw/zinc/48/99/45/639489945.db2.gz PENCJHOEPGEDDI-SNVBAGLBSA-N 0 1 321.406 2.433 20 5 DEBDMN CCCOc1ccc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1OC ZINC000839538160 639751691 /nfs/dbraw/zinc/75/16/91/639751691.db2.gz GVHXUQFDZVDVIX-CYZMBNFOSA-N 0 1 322.361 2.326 20 5 DEBDMN CC(C)(C)OC(=O)Cc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839696745 639796616 /nfs/dbraw/zinc/79/66/16/639796616.db2.gz ONTAPWDZIAEANA-CHWSQXEVSA-N 0 1 320.345 2.175 20 5 DEBDMN O=C(N[C@H]1CCCOc2cc(Cl)ccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839720130 639824315 /nfs/dbraw/zinc/82/43/15/639824315.db2.gz DXRUVHYFLQNYOO-GRYCIOLGSA-N 0 1 310.737 2.335 20 5 DEBDMN O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccc(O)c(Cl)c1 ZINC000762824004 640465046 /nfs/dbraw/zinc/46/50/46/640465046.db2.gz PERYQMPTIBJSCP-UHFFFAOYSA-N 0 1 311.681 2.007 20 5 DEBDMN Nc1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1[N+](=O)[O-] ZINC000764396602 640631967 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CCCCC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)OC ZINC000780620628 642651175 /nfs/dbraw/zinc/65/11/75/642651175.db2.gz UGUIAANOMDDLPM-CYBMUJFWSA-N 0 1 324.333 2.152 20 5 DEBDMN O=C([O-])[C@@]1(F)C[N@H+](Cc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000901915324 642821181 /nfs/dbraw/zinc/82/11/81/642821181.db2.gz MYGRHVDFRSQIGH-HNNXBMFYSA-N 0 1 308.309 2.374 20 5 DEBDMN O=C([O-])[C@@]1(F)C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000901915324 642821188 /nfs/dbraw/zinc/82/11/88/642821188.db2.gz MYGRHVDFRSQIGH-HNNXBMFYSA-N 0 1 308.309 2.374 20 5 DEBDMN NC(=O)C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783550833 643019505 /nfs/dbraw/zinc/01/95/05/643019505.db2.gz VALMPDDXNYLJLH-LLVKDONJSA-N 0 1 311.769 2.478 20 5 DEBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCO[C@@]23CCOC3)c1 ZINC000903127533 643261899 /nfs/dbraw/zinc/26/18/99/643261899.db2.gz YRLFRLUQYVLRRR-UONOGXRCSA-N 0 1 312.753 2.286 20 5 DEBDMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000785737797 643272667 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O=C1NC(=O)/C(=C/c2cc(O)ccc2[N+](=O)[O-])c2ccccc21 ZINC000772795447 641692753 /nfs/dbraw/zinc/69/27/53/641692753.db2.gz AHBWLGMKUIQQEV-MDWZMJQESA-N 0 1 310.265 2.111 20 5 DEBDMN C[C@H](NCCS(=O)(=O)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000773067339 641724217 /nfs/dbraw/zinc/72/42/17/641724217.db2.gz WBRRJOSOBLZACT-NSHDSACASA-N 0 1 312.391 2.070 20 5 DEBDMN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC(N2CCCC2)C1 ZINC000898608735 641725622 /nfs/dbraw/zinc/72/56/22/641725622.db2.gz DAFGBTBKGCMUKS-UHFFFAOYSA-N 0 1 309.753 2.168 20 5 DEBDMN O=C(OCCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000774760777 641960474 /nfs/dbraw/zinc/96/04/74/641960474.db2.gz SAWKQWRIUQMYSB-UHFFFAOYSA-N 0 1 305.246 2.231 20 5 DEBDMN CC(C)N(Cc1cn(Cc2cccnc2[N+](=O)[O-])nn1)C(C)C ZINC000900579397 642411842 /nfs/dbraw/zinc/41/18/42/642411842.db2.gz DDIKKEINNPIGPD-UHFFFAOYSA-N 0 1 318.381 2.248 20 5 DEBDMN Cc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n[nH]c1C1CC1 ZINC000780447513 642626497 /nfs/dbraw/zinc/62/64/97/642626497.db2.gz 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DEBDMN Cc1nnc([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)[nH]1 ZINC000268399359 403080052 /nfs/dbraw/zinc/08/00/52/403080052.db2.gz PILKCHHRCYFPQK-VIFPVBQESA-N 0 1 322.756 2.454 20 5 DEBDMN Cc1nc([C@H]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000268404221 403080437 /nfs/dbraw/zinc/08/04/37/403080437.db2.gz RAOHXECEZVGBHP-NSHDSACASA-N 0 1 302.338 2.109 20 5 DEBDMN Cc1nnc([C@H]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)C2)[nH]1 ZINC000268404221 403080440 /nfs/dbraw/zinc/08/04/40/403080440.db2.gz RAOHXECEZVGBHP-NSHDSACASA-N 0 1 302.338 2.109 20 5 DEBDMN Cc1nc(NCCCN2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268465529 403085420 /nfs/dbraw/zinc/08/54/20/403085420.db2.gz IECYEXFVMHUVRK-RYUDHWBXSA-N 0 1 308.382 2.209 20 5 DEBDMN CCOCCOCCN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000276236040 403156486 /nfs/dbraw/zinc/15/64/86/403156486.db2.gz LJEJAYMTNYHZEG-UHFFFAOYSA-N 0 1 312.366 2.088 20 5 DEBDMN CCN(CCCO)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000270745754 403219849 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CCCCN(CCCO)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000182135815 356110974 /nfs/dbraw/zinc/11/09/74/356110974.db2.gz VGSAFZDVVYYZOF-ZDUSSCGKSA-N 0 1 323.393 2.406 20 5 DEBDMN CCc1nc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000183287128 356165630 /nfs/dbraw/zinc/16/56/30/356165630.db2.gz RRTAUQYVUUFHLE-ZETCQYMHSA-N 0 1 307.285 2.157 20 5 DEBDMN CCc1n[nH]c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000183287128 356165632 /nfs/dbraw/zinc/16/56/32/356165632.db2.gz RRTAUQYVUUFHLE-ZETCQYMHSA-N 0 1 307.285 2.157 20 5 DEBDMN Cc1cnc([C@@H](NCCn2ccc([N+](=O)[O-])n2)C2CC2)s1 ZINC000185293606 356205561 /nfs/dbraw/zinc/20/55/61/356205561.db2.gz WUBZJPHTYSVHBV-LBPRGKRZSA-N 0 1 307.379 2.297 20 5 DEBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](CO)CC3)nc2c1 ZINC000293025857 356387903 /nfs/dbraw/zinc/38/79/03/356387903.db2.gz FUMAVJGGSVRFIK-NSHDSACASA-N 0 1 305.334 2.330 20 5 DEBDMN CC[C@H](C)N1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000321099697 356448828 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C[C@H](C[S@](C)=O)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602611687 360456526 /nfs/dbraw/zinc/45/65/26/360456526.db2.gz YOMVCKGXGFPYHZ-ZEDNOMKYSA-N 0 1 324.324 2.470 20 5 DEBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000602823592 360574085 /nfs/dbraw/zinc/57/40/85/360574085.db2.gz XGYSYZNTVWOPRA-SCZZXKLOSA-N 0 1 306.288 2.372 20 5 DEBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000602823596 360574198 /nfs/dbraw/zinc/57/41/98/360574198.db2.gz XGYSYZNTVWOPRA-WPRPVWTQSA-N 0 1 306.288 2.372 20 5 DEBDMN CCCOc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)c1 ZINC000191117764 200630866 /nfs/dbraw/zinc/63/08/66/200630866.db2.gz YUNLDGOCLNJELL-UHFFFAOYSA-N 0 1 318.333 2.345 20 5 DEBDMN COC[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000193664322 201097624 /nfs/dbraw/zinc/09/76/24/201097624.db2.gz AWURNBWFMPURMF-CQSZACIVSA-N 0 1 324.768 2.422 20 5 DEBDMN O=[N+]([O-])c1cccc(N2CCN(C[C@@H]3CCC=CO3)CC2)c1 ZINC000193768337 201120459 /nfs/dbraw/zinc/12/04/59/201120459.db2.gz 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O=[N+]([O-])c1ncccc1N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000611222289 425080114 /nfs/dbraw/zinc/08/01/14/425080114.db2.gz JNGQDLSEGTUSHJ-NSHDSACASA-N 0 1 314.349 2.369 20 5 DEBDMN O=[N+]([O-])c1ncccc1N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000611222289 425080116 /nfs/dbraw/zinc/08/01/16/425080116.db2.gz JNGQDLSEGTUSHJ-NSHDSACASA-N 0 1 314.349 2.369 20 5 DEBDMN C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)CN1C ZINC000443505629 269138753 /nfs/dbraw/zinc/13/87/53/269138753.db2.gz AXQLKHJYCAALGX-GHMZBOCLSA-N 0 1 317.349 2.174 20 5 DEBDMN CC(C)(NC(=O)c1[nH]nc2c1CCC2)c1ccccc1[N+](=O)[O-] ZINC000294215233 277309556 /nfs/dbraw/zinc/30/95/56/277309556.db2.gz UNYQUYYHFCRGIN-UHFFFAOYSA-N 0 1 314.345 2.472 20 5 DEBDMN C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCN1 ZINC000155232064 288027529 /nfs/dbraw/zinc/02/75/29/288027529.db2.gz NCEIQYQSJUMLOL-LLVKDONJSA-N 0 1 305.378 2.326 20 5 DEBDMN CC1(C)CC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336831984 278271058 /nfs/dbraw/zinc/27/10/58/278271058.db2.gz DURBGXGVJCOKPN-JTQLQIEISA-N 0 1 302.327 2.201 20 5 DEBDMN CCN(C)C(=O)CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135241646 282065258 /nfs/dbraw/zinc/06/52/58/282065258.db2.gz NHFRQSFYWZFQAI-UHFFFAOYSA-N 0 1 305.378 2.428 20 5 DEBDMN Cc1nc([C@@H]2CCCN(c3ncc(C)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000268364854 293368778 /nfs/dbraw/zinc/36/87/78/293368778.db2.gz DNYPFCTYEQKGAX-LLVKDONJSA-N 0 1 302.338 2.109 20 5 DEBDMN Cc1nnc([C@@H]2CCCN(c3ncc(C)cc3[N+](=O)[O-])C2)[nH]1 ZINC000268364854 293368779 /nfs/dbraw/zinc/36/87/79/293368779.db2.gz DNYPFCTYEQKGAX-LLVKDONJSA-N 0 1 302.338 2.109 20 5 DEBDMN C[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)CO1 ZINC000567612350 325829377 /nfs/dbraw/zinc/82/93/77/325829377.db2.gz LBFMVGCYTDJOCL-WCBMZHEXSA-N 0 1 302.277 2.463 20 5 DEBDMN C[C@H](NC(=O)c1conc1C(C)(C)N)c1cccc([N+](=O)[O-])c1 ZINC000574770663 326186069 /nfs/dbraw/zinc/18/60/69/326186069.db2.gz KOPONMGMNKOJOX-VIFPVBQESA-N 0 1 318.333 2.268 20 5 DEBDMN C[C@H](C(=O)N1CCN(C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000575814388 326248175 /nfs/dbraw/zinc/24/81/75/326248175.db2.gz MEDWWHALXAOJFN-NSHDSACASA-N 0 1 323.368 2.390 20 5 DEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](c2cccnc2)C1 ZINC000575871721 326252673 /nfs/dbraw/zinc/25/26/73/326252673.db2.gz NGTVNBAJQFMPDV-GFCCVEGCSA-N 0 1 313.313 2.325 20 5 DEBDMN O=C([C@H]1CCCN1C1CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000575910651 326255170 /nfs/dbraw/zinc/25/51/70/326255170.db2.gz ZTGWGHOJLNJYQU-MRXNPFEDSA-N 0 1 315.373 2.106 20 5 DEBDMN Cc1cc([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)nn1C ZINC000548792244 500964716 /nfs/dbraw/zinc/96/47/16/500964716.db2.gz MSLNCOCXTCCBGW-LBPRGKRZSA-N 0 1 304.350 2.366 20 5 DEBDMN COc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(O)c1 ZINC000442702295 534168448 /nfs/dbraw/zinc/16/84/48/534168448.db2.gz BTKRLJSPVBHAJQ-UHFFFAOYSA-N 0 1 304.258 2.267 20 5 DEBDMN CC(C)n1cnnc1CN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339219153 520056639 /nfs/dbraw/zinc/05/66/39/520056639.db2.gz HVNWPSYBESQEOS-UHFFFAOYSA-N 0 1 305.338 2.105 20 5 DEBDMN CN(Cc1cccn1C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000158211847 523409617 /nfs/dbraw/zinc/40/96/17/523409617.db2.gz JEIFVRBRAUGAEB-UHFFFAOYSA-N 0 1 313.317 2.082 20 5 DEBDMN CC(=O)N1CC[C@H](Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000302083676 526667355 /nfs/dbraw/zinc/66/73/55/526667355.db2.gz MPSAZWYKROFMAW-LBPRGKRZSA-N 0 1 314.345 2.484 20 5 DEBDMN Cn1cnc([N+](=O)[O-])c1CN1CC[C@](C)(c2ccccc2)C1 ZINC000366004670 527490211 /nfs/dbraw/zinc/49/02/11/527490211.db2.gz FQIZATZNGFZXBK-INIZCTEOSA-N 0 1 300.362 2.492 20 5 DEBDMN CC(C)c1ccc(CN[C@@H]2CCCN(C)C2=O)cc1[N+](=O)[O-] ZINC000330671149 528100904 /nfs/dbraw/zinc/10/09/04/528100904.db2.gz MVLYQXLZFOLKAL-CQSZACIVSA-N 0 1 305.378 2.429 20 5 DEBDMN CCCc1[nH]nc(C(=O)N2C[C@H](CC)O[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000421948551 528546505 /nfs/dbraw/zinc/54/65/05/528546505.db2.gz IQJFHIVITLEYML-QWRGUYRKSA-N 0 1 324.381 2.300 20 5 DEBDMN CC1(C)COCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411190489 529131448 /nfs/dbraw/zinc/13/14/48/529131448.db2.gz YNPCVPAFVURJKU-UHFFFAOYSA-N 0 1 307.350 2.034 20 5 DEBDMN CC[C@@H](C)[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000442768252 529348267 /nfs/dbraw/zinc/34/82/67/529348267.db2.gz SUZQNRSOPRSNPF-LLVKDONJSA-N 0 1 323.349 2.109 20 5 DEBDMN CC(C)[C@]1(CO)CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000377660807 535310890 /nfs/dbraw/zinc/31/08/90/535310890.db2.gz ZYNABBRNNFJDMA-OAHLLOKOSA-N 0 1 323.349 2.343 20 5 DEBDMN CCOc1ccc([C@@H](C)NC(COC)COC)cc1[N+](=O)[O-] ZINC000453367230 535411672 /nfs/dbraw/zinc/41/16/72/535411672.db2.gz XJTJEGCMKUMFQW-LLVKDONJSA-N 0 1 312.366 2.306 20 5 DEBDMN CN1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000492862427 536399171 /nfs/dbraw/zinc/39/91/71/536399171.db2.gz KXMZGKMKPINMPS-HJWRWDBZSA-N 0 1 303.362 2.161 20 5 DEBDMN CC(C)[N@@H+](C)CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736458073 599783222 /nfs/dbraw/zinc/78/32/22/599783222.db2.gz XJLRYUAAELKIDY-ALCCZGGFSA-N 0 1 307.350 2.445 20 5 DEBDMN Cc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897197 602313772 /nfs/dbraw/zinc/31/37/72/602313772.db2.gz MBXUAMPVCMMYSA-NSHDSACASA-N 0 1 319.361 2.498 20 5 DEBDMN COc1ccc(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000829361502 604109742 /nfs/dbraw/zinc/10/97/42/604109742.db2.gz DURSRGCTNFNYOR-GFCCVEGCSA-N 0 1 323.349 2.178 20 5 DEBDMN COc1ccc(C[N@H+]2CCC[C@@H]2CN(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000829361502 604109746 /nfs/dbraw/zinc/10/97/46/604109746.db2.gz DURSRGCTNFNYOR-GFCCVEGCSA-N 0 1 323.349 2.178 20 5 DEBDMN O=C(N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)c1ccoc1 ZINC001021832781 624120376 /nfs/dbraw/zinc/12/03/76/624120376.db2.gz DGVAQEISSSMDET-TXEJJXNPSA-N 0 1 321.358 2.300 20 5 DEBDMN C[N@@H+](CCCNC(=O)C(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000180489534 625206235 /nfs/dbraw/zinc/20/62/35/625206235.db2.gz YWAXXSIMNPKSTQ-UHFFFAOYSA-N 0 1 319.283 2.095 20 5 DEBDMN C[N@H+](CCC[N-]C(=O)C(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000180489534 625206238 /nfs/dbraw/zinc/20/62/38/625206238.db2.gz YWAXXSIMNPKSTQ-UHFFFAOYSA-N 0 1 319.283 2.095 20 5 DEBDMN COc1cc([C@H]2NC(=O)c3ccccc3N2)cc([N+](=O)[O-])c1O ZINC000024079686 625749620 /nfs/dbraw/zinc/74/96/20/625749620.db2.gz PCXWDVHOGFMFDU-CQSZACIVSA-N 0 1 315.285 2.163 20 5 DEBDMN CC(=O)NC1(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001000041080 634732266 /nfs/dbraw/zinc/73/22/66/634732266.db2.gz CQJJTEXGBQYWBV-UHFFFAOYSA-N 0 1 317.389 2.476 20 5 DEBDMN CCON(Cc1ccccc1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000837206055 650175517 /nfs/dbraw/zinc/17/55/17/650175517.db2.gz LUKDAWXWOUGREB-UHFFFAOYSA-N 0 1 304.306 2.220 20 5 DEBDMN COc1c(O)ccc(CN2CCC[C@@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000894292494 636723977 /nfs/dbraw/zinc/72/39/77/636723977.db2.gz DAGYIERTGWQGAS-TZMCWYRMSA-N 0 1 322.361 2.452 20 5 DEBDMN CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894743316 637192972 /nfs/dbraw/zinc/19/29/72/637192972.db2.gz FZTYNIVNEBGCHP-CYBMUJFWSA-N 0 1 323.393 2.225 20 5 DEBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H]1COCO1 ZINC000894887664 637296174 /nfs/dbraw/zinc/29/61/74/637296174.db2.gz HXPMISSDDAMCEZ-SNVBAGLBSA-N 0 1 306.240 2.076 20 5 DEBDMN O=[N+]([O-])c1ccc2oc(CN3CCCCC[C@H]3CO)nc2c1 ZINC000895151640 637675171 /nfs/dbraw/zinc/67/51/71/637675171.db2.gz VMZMSKAEWGWIGN-LBPRGKRZSA-N 0 1 305.334 2.473 20 5 DEBDMN COc1c(O)ccc(CN2CCCCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000895192929 637779878 /nfs/dbraw/zinc/77/98/78/637779878.db2.gz LKMYLPURAMYMEB-GFCCVEGCSA-N 0 1 310.350 2.046 20 5 DEBDMN C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000895245945 637846167 /nfs/dbraw/zinc/84/61/67/637846167.db2.gz KDVFHNJYWREKHV-HZMBPMFUSA-N 0 1 312.801 2.294 20 5 DEBDMN Cc1nc(-c2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])s2)cs1 ZINC000839471731 637885610 /nfs/dbraw/zinc/88/56/10/637885610.db2.gz FRKJIAAGPBQJEF-MWLCHTKSSA-N 0 1 323.399 2.461 20 5 DEBDMN CCCCOC(=O)c1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000841012822 650406138 /nfs/dbraw/zinc/40/61/38/650406138.db2.gz GROFITGPKOPGCG-CHWSQXEVSA-N 0 1 307.302 2.214 20 5 DEBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000841130384 650437188 /nfs/dbraw/zinc/43/71/88/650437188.db2.gz PRCCESPUVHJCRR-GHMZBOCLSA-N 0 1 320.242 2.382 20 5 DEBDMN Nc1ccc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)cc1[N+](=O)[O-] ZINC000753724116 639334201 /nfs/dbraw/zinc/33/42/01/639334201.db2.gz GJZYHICRPLSFCR-UHFFFAOYSA-N 0 1 324.300 2.214 20 5 DEBDMN Cc1ccc(C(=O)OC[C@H]2CN(C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000753950231 639365605 /nfs/dbraw/zinc/36/56/05/639365605.db2.gz OFHVRJAYKASFBO-CQSZACIVSA-N 0 1 322.361 2.169 20 5 DEBDMN C[C@H](C(=O)NOCC(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000754422184 639428034 /nfs/dbraw/zinc/42/80/34/639428034.db2.gz XILIJHRCLTUNQG-LURJTMIESA-N 0 1 310.203 2.448 20 5 DEBDMN COC(=O)C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000754520858 639438831 /nfs/dbraw/zinc/43/88/31/639438831.db2.gz RJNHHPVDLLLTPS-LLVKDONJSA-N 0 1 319.317 2.167 20 5 DEBDMN CCc1nc(COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 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CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCC[C@H]1O ZINC000444688112 530023276 /nfs/dbraw/zinc/02/32/76/530023276.db2.gz IJVOFADYVBMVPX-ZIAGYGMSSA-N 0 1 304.350 2.206 20 5 DEBDMN CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000413668627 530069397 /nfs/dbraw/zinc/06/93/97/530069397.db2.gz KDPIOXKEOQXFLD-LSDHHAIUSA-N 0 1 317.389 2.251 20 5 DEBDMN COc1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000194800311 282365875 /nfs/dbraw/zinc/36/58/75/282365875.db2.gz ZNNHMRGSCQNXLD-UHFFFAOYSA-N 0 1 323.330 2.108 20 5 DEBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](CO)[C@H](C)C1 ZINC000362067862 535022738 /nfs/dbraw/zinc/02/27/38/535022738.db2.gz QXWLYQDJUCVHGN-TZMCWYRMSA-N 0 1 308.378 2.442 20 5 DEBDMN O=[N+]([O-])c1ccc(NCCc2nc[nH]n2)c(C(F)(F)F)c1 ZINC000080589965 192169604 /nfs/dbraw/zinc/16/96/04/192169604.db2.gz CJGPBVWSMWMTKT-UHFFFAOYSA-N 0 1 301.228 2.386 20 5 DEBDMN CCN1CC[C@H](N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000595524718 358473926 /nfs/dbraw/zinc/47/39/26/358473926.db2.gz OCHNUGVHZZSDBP-ZBFHGGJFSA-N 0 1 317.389 2.395 20 5 DEBDMN CCc1ccc(C(=O)N2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000174113346 198293044 /nfs/dbraw/zinc/29/30/44/198293044.db2.gz YKFSSNIABOQXQO-UHFFFAOYSA-N 0 1 317.389 2.325 20 5 DEBDMN CCN1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000617753259 363252703 /nfs/dbraw/zinc/25/27/03/363252703.db2.gz UOLYSQIOTSZKFK-CHWSQXEVSA-N 0 1 305.378 2.251 20 5 DEBDMN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000006623269 353997425 /nfs/dbraw/zinc/99/74/25/353997425.db2.gz ICSOVKKUYVMXJS-UHFFFAOYSA-N 0 1 324.314 2.110 20 5 DEBDMN COc1ccccc1[C@@H](CNc1c([N+](=O)[O-])ncn1C)N(C)C ZINC000008337665 354012369 /nfs/dbraw/zinc/01/23/69/354012369.db2.gz GFIOXKWWOZODLB-GFCCVEGCSA-N 0 1 319.365 2.052 20 5 DEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cnc[nH]1 ZINC000595593523 358494754 /nfs/dbraw/zinc/49/47/54/358494754.db2.gz HLOLVMLDTGAGDS-UHFFFAOYSA-N 0 1 317.349 2.087 20 5 DEBDMN COC(=O)C1(N(C)Cc2cc(O)ccc2[N+](=O)[O-])CCCC1 ZINC000093764769 355687089 /nfs/dbraw/zinc/68/70/89/355687089.db2.gz XZMHBMCVSODXGX-UHFFFAOYSA-N 0 1 308.334 2.218 20 5 DEBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CCO[C@H]3C3CC3)nc2c1 ZINC000618308936 363454946 /nfs/dbraw/zinc/45/49/46/363454946.db2.gz PCPPAUXVKYVMNI-DOMZBBRYSA-N 0 1 302.334 2.128 20 5 DEBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCC1 ZINC000157697384 355956503 /nfs/dbraw/zinc/95/65/03/355956503.db2.gz DLYIVYHGLHBBBA-QMMMGPOBSA-N 0 1 302.327 2.201 20 5 DEBDMN Cc1ccc([C@H](C)NCC(=O)N(C)CC2CC2)cc1[N+](=O)[O-] ZINC000181811329 356096995 /nfs/dbraw/zinc/09/69/95/356096995.db2.gz PCWZZARREXMXMS-LBPRGKRZSA-N 0 1 305.378 2.422 20 5 DEBDMN CCOC(=O)C[C@@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000182620686 356134893 /nfs/dbraw/zinc/13/48/93/356134893.db2.gz SQEHUHZAKDSPCK-LLVKDONJSA-N 0 1 310.350 2.377 20 5 DEBDMN CCN1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000286653996 356371652 /nfs/dbraw/zinc/37/16/52/356371652.db2.gz UHNBZJJBUFRPAM-AWEZNQCLSA-N 0 1 307.394 2.390 20 5 DEBDMN CC(C)c1[nH]nc(-c2nc(C3(N)CCCC3)no2)c1[N+](=O)[O-] ZINC000414624882 283179044 /nfs/dbraw/zinc/17/90/44/283179044.db2.gz WHIZVVNQJXWIFY-UHFFFAOYSA-N 0 1 306.326 2.219 20 5 DEBDMN CO[C@@H](CN1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000425381286 283207043 /nfs/dbraw/zinc/20/70/43/283207043.db2.gz FLXMHOOJYKDGCR-INIZCTEOSA-N 0 1 305.378 2.142 20 5 DEBDMN CC(C)O[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000579126608 356927226 /nfs/dbraw/zinc/92/72/26/356927226.db2.gz JWNGMJIYFPCUJC-LLVKDONJSA-N 0 1 318.333 2.111 20 5 DEBDMN C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1 ZINC000580956204 357107929 /nfs/dbraw/zinc/10/79/29/357107929.db2.gz YPJIOJOMGISQJU-RISCZKNCSA-N 0 1 308.334 2.159 20 5 DEBDMN CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000276844349 213128529 /nfs/dbraw/zinc/12/85/29/213128529.db2.gz YYEZUEXRTVSVFM-UHFFFAOYSA-N 0 1 314.769 2.222 20 5 DEBDMN CO[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000590659600 357573757 /nfs/dbraw/zinc/57/37/57/357573757.db2.gz VHGRDFSNLUUMHH-FZMZJTMJSA-N 0 1 322.361 2.223 20 5 DEBDMN NC(=O)CN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000112351439 283286618 /nfs/dbraw/zinc/28/66/18/283286618.db2.gz FGNSMGKYJCPGIX-UHFFFAOYSA-N 0 1 313.357 2.125 20 5 DEBDMN NCc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000592228287 357854532 /nfs/dbraw/zinc/85/45/32/357854532.db2.gz YLTXIZPYJBSVNW-UHFFFAOYSA-N 0 1 315.329 2.451 20 5 DEBDMN Cc1cc(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000593187629 358029341 /nfs/dbraw/zinc/02/93/41/358029341.db2.gz MYYHDLXJWCSEFP-JHJVBQTASA-N 0 1 305.378 2.456 20 5 DEBDMN COc1cc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000593760519 358138935 /nfs/dbraw/zinc/13/89/35/358138935.db2.gz UOONKBXCDKIPJA-QWHCGFSZSA-N 0 1 320.345 2.146 20 5 DEBDMN O=C([O-])CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CC1 ZINC000593745370 358135448 /nfs/dbraw/zinc/13/54/48/358135448.db2.gz ZDISHPJZKQBFKJ-UHFFFAOYSA-N 0 1 318.333 2.158 20 5 DEBDMN C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000594390790 358255411 /nfs/dbraw/zinc/25/54/11/358255411.db2.gz FXJPBQAYJUKRAN-SECBINFHSA-N 0 1 324.333 2.008 20 5 DEBDMN CCN1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@@H]1C ZINC000594568596 358295652 /nfs/dbraw/zinc/29/56/52/358295652.db2.gz UYCAYPYNERQQCU-LBPRGKRZSA-N 0 1 308.382 2.307 20 5 DEBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000595019061 358379599 /nfs/dbraw/zinc/37/95/99/358379599.db2.gz HAKWREYWYPVRSU-NEPJUHHUSA-N 0 1 321.377 2.263 20 5 DEBDMN CCCc1[nH]nc(C(=O)N(Cc2ccccc2)OC)c1[N+](=O)[O-] ZINC000180826959 199214268 /nfs/dbraw/zinc/21/42/68/199214268.db2.gz JDIZQXNEDSOTLQ-UHFFFAOYSA-N 0 1 318.333 2.474 20 5 DEBDMN CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)C(=O)[O-] ZINC000595882425 358571362 /nfs/dbraw/zinc/57/13/62/358571362.db2.gz KCOGKMLFAGUCIW-LLVKDONJSA-N 0 1 323.349 2.027 20 5 DEBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2[C@H](C)CO)c1[N+](=O)[O-] ZINC000598022987 359068553 /nfs/dbraw/zinc/06/85/53/359068553.db2.gz UJXIMUKBRBGEFO-GHMZBOCLSA-N 0 1 324.381 2.064 20 5 DEBDMN CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000089635353 192831433 /nfs/dbraw/zinc/83/14/33/192831433.db2.gz VNMLGFRHCWJFJY-ZYHUDNBSSA-N 0 1 314.407 2.377 20 5 DEBDMN CCn1ncnc1CNCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602601379 360452278 /nfs/dbraw/zinc/45/22/78/360452278.db2.gz LDJZNGHLXOZNJE-UHFFFAOYSA-N 0 1 309.757 2.192 20 5 DEBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCNC[C@@H]1C(C)C ZINC000602526189 360417227 /nfs/dbraw/zinc/41/72/27/360417227.db2.gz DIEGSHPZCYZOCT-OAHLLOKOSA-N 0 1 305.378 2.282 20 5 DEBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H](CO)CCF ZINC000602713286 360512112 /nfs/dbraw/zinc/51/21/12/360512112.db2.gz TZOAXRDRDKIUBQ-SNVBAGLBSA-N 0 1 310.247 2.424 20 5 DEBDMN C[C@@H]1COCCN1C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000603401201 360817786 /nfs/dbraw/zinc/81/77/86/360817786.db2.gz JEWILRQBYHHWCP-LLVKDONJSA-N 0 1 311.407 2.346 20 5 DEBDMN Cc1cc(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000610013996 361353472 /nfs/dbraw/zinc/35/34/72/361353472.db2.gz ISDJIRMQIKLBCC-SNVBAGLBSA-N 0 1 303.322 2.187 20 5 DEBDMN O=[N+]([O-])c1ccc(CN2CCN(C[C@H]3CCCO3)CC2)c(F)c1 ZINC000610477013 361405532 /nfs/dbraw/zinc/40/55/32/361405532.db2.gz GWBSFUTXBDFYLT-OAHLLOKOSA-N 0 1 323.368 2.031 20 5 DEBDMN Cc1[nH]nc(C(=O)N2Cc3ccccc3C(F)(F)C2)c1[N+](=O)[O-] ZINC000610925781 361493980 /nfs/dbraw/zinc/49/39/80/361493980.db2.gz ZLRWPJBNTIYLEY-UHFFFAOYSA-N 0 1 322.271 2.374 20 5 DEBDMN CC(C)c1[nH]nc(C(=O)N2CC(C)(C)OCC2(C)C)c1[N+](=O)[O-] ZINC000610922971 361492643 /nfs/dbraw/zinc/49/26/43/361492643.db2.gz SBGKQAOVSFIRTB-UHFFFAOYSA-N 0 1 324.381 2.471 20 5 DEBDMN Cc1[nH]nc(C(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000611561863 361632203 /nfs/dbraw/zinc/63/22/03/361632203.db2.gz YMBZSEBYCXIEEQ-POYBYMJQSA-N 0 1 320.271 2.429 20 5 DEBDMN COc1ccc(OCCN2CC[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000275463442 212349542 /nfs/dbraw/zinc/34/95/42/212349542.db2.gz NOFQMRYYSPQKLD-HNNXBMFYSA-N 0 1 324.377 2.075 20 5 DEBDMN O=C(N[C@H]1CCCOc2c(F)cccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000183316003 284177048 /nfs/dbraw/zinc/17/70/48/284177048.db2.gz IMIHAXPYDAEMGL-JTQLQIEISA-N 0 1 320.280 2.101 20 5 DEBDMN CCCCNC(=O)[C@@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282456495 217008090 /nfs/dbraw/zinc/00/80/90/217008090.db2.gz MHQMGBRZVJEPLA-CYBMUJFWSA-N 0 1 307.394 2.374 20 5 DEBDMN COCCCn1nccc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000282621681 217132202 /nfs/dbraw/zinc/13/22/02/217132202.db2.gz JMKYTVFMSPOODF-UHFFFAOYSA-N 0 1 304.350 2.118 20 5 DEBDMN O=C(CCN1CCO[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000282660419 217159374 /nfs/dbraw/zinc/15/93/74/217159374.db2.gz LXXOADMZHBJJJU-LSDHHAIUSA-N 0 1 319.361 2.177 20 5 DEBDMN CCn1ccnc1[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000456370753 247136930 /nfs/dbraw/zinc/13/69/30/247136930.db2.gz YIASCEDNPOCRSX-SECBINFHSA-N 0 1 304.306 2.008 20 5 DEBDMN C[C@@H]1[C@H](C)N(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000492341382 249043193 /nfs/dbraw/zinc/04/31/93/249043193.db2.gz MYKCLWVAEPMFMQ-VDQNYZKDSA-N 0 1 303.362 2.159 20 5 DEBDMN O=C(C=Cc1ccccc1[N+](=O)[O-])N[C@H]1CCc2nc[nH]c2C1 ZINC000492986283 249188347 /nfs/dbraw/zinc/18/83/47/249188347.db2.gz QJLIANWIYGUNDK-JECSTDCCSA-N 0 1 312.329 2.005 20 5 DEBDMN Nc1cc(N)nc(SCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000041023233 183156759 /nfs/dbraw/zinc/15/67/59/183156759.db2.gz JIGBEEBWVBGUHV-UHFFFAOYSA-N 0 1 311.754 2.495 20 5 DEBDMN CC[C@@H]1CN(C)CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493274017 249267651 /nfs/dbraw/zinc/26/76/51/249267651.db2.gz RLBIELMIOCXUOJ-HZRUHFOJSA-N 0 1 321.352 2.300 20 5 DEBDMN CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000159111507 197328103 /nfs/dbraw/zinc/32/81/03/197328103.db2.gz QBQATAVHVCWGNR-NSHDSACASA-N 0 1 304.306 2.208 20 5 DEBDMN Cc1ccc2nc(CNC(=O)c3ccc([N+](=O)[O-])n3C)[nH]c2c1 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DEBDMN C[C@H](NC[C@@H]1CCCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000346825586 146148969 /nfs/dbraw/zinc/14/89/69/146148969.db2.gz IHEAOVLAZOIREX-FZMZJTMJSA-N 0 1 312.391 2.213 20 5 DEBDMN Cc1nc(C)c(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)s1 ZINC000356612878 146943023 /nfs/dbraw/zinc/94/30/23/146943023.db2.gz QPGAQQRMJRSQKC-UHFFFAOYSA-N 0 1 307.331 2.304 20 5 DEBDMN COc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000358988109 147242256 /nfs/dbraw/zinc/24/22/56/147242256.db2.gz XVOAAKOOWALTTK-UHFFFAOYSA-N 0 1 323.330 2.108 20 5 DEBDMN CCN(CC(F)(F)F)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000127271433 401726891 /nfs/dbraw/zinc/72/68/91/401726891.db2.gz ZWUWKTRWJMOMJJ-UHFFFAOYSA-N 0 1 316.239 2.496 20 5 DEBDMN CCc1nc(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000011717970 401775973 /nfs/dbraw/zinc/77/59/73/401775973.db2.gz DVCBPCKLUQRZPJ-UHFFFAOYSA-N 0 1 321.362 2.030 20 5 DEBDMN CCc1n[nH]c(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000011717970 401775977 /nfs/dbraw/zinc/77/59/77/401775977.db2.gz 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CCN1C[C@H](C)N(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000536553882 406264879 /nfs/dbraw/zinc/26/48/79/406264879.db2.gz LNVDRVDYROXJPD-OLZOCXBDSA-N 0 1 320.393 2.219 20 5 DEBDMN C[C@@H]1C[C@@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000488286907 406307294 /nfs/dbraw/zinc/30/72/94/406307294.db2.gz ANIKHUONCDFKSM-TZMCWYRMSA-N 0 1 303.362 2.009 20 5 DEBDMN CC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000571686741 406552485 /nfs/dbraw/zinc/55/24/85/406552485.db2.gz DTSOCVICDLRLEJ-NSHDSACASA-N 0 1 307.350 2.071 20 5 DEBDMN COc1ccc(CNCc2n[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000294886104 533679190 /nfs/dbraw/zinc/67/91/90/533679190.db2.gz WACVXELCEPDKLL-UHFFFAOYSA-N 0 1 305.338 2.135 20 5 DEBDMN Cc1cc([C@@H]2CCCN(c3ncc([N+](=O)[O-])c(C)n3)C2)[nH]n1 ZINC000296736614 226177241 /nfs/dbraw/zinc/17/72/41/226177241.db2.gz JGIGNNNXFFSMAQ-LLVKDONJSA-N 0 1 302.338 2.109 20 5 DEBDMN CCCn1ncc(Nc2ncc([N+](=O)[O-])c(N)n2)c1C1CC1 ZINC000450635359 425078930 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O=[N+]([O-])c1ccc(O)cc1CN(CC(F)(F)F)[C@@H]1CCOC1 ZINC000339056985 280369143 /nfs/dbraw/zinc/36/91/43/280369143.db2.gz PQCUGLZQHPUAQG-SNVBAGLBSA-N 0 1 320.267 2.454 20 5 DEBDMN CC(C)Oc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000135476140 282074291 /nfs/dbraw/zinc/07/42/91/282074291.db2.gz WKVRCKMDUWJAID-UHFFFAOYSA-N 0 1 304.306 2.035 20 5 DEBDMN CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H]1C ZINC000573210543 326033693 /nfs/dbraw/zinc/03/36/93/326033693.db2.gz LYAVZYNOMWTZDE-WDEREUQCSA-N 0 1 307.350 2.212 20 5 DEBDMN CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000573757189 326088759 /nfs/dbraw/zinc/08/87/59/326088759.db2.gz HGPXVYUGMLOGES-ZDUSSCGKSA-N 0 1 321.377 2.247 20 5 DEBDMN CC(C)(C)N1CC[C@@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001350357673 1151347213 /nfs/dbraw/zinc/34/72/13/1151347213.db2.gz SFGIMEGCDMGCQF-CQSZACIVSA-N 0 1 303.362 2.310 20 5 DEBDMN CO[C@@H]1COC[C@H]1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000583084080 337237554 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DEBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000352217071 536000319 /nfs/dbraw/zinc/00/03/19/536000319.db2.gz MSWGNGCEXDKZJK-RNFRBKRXSA-N 0 1 320.271 2.293 20 5 DEBDMN C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)(C)CNC(=O)[O-] ZINC000828340625 603546511 /nfs/dbraw/zinc/54/65/11/603546511.db2.gz BKADWPRLGIYQQU-UHFFFAOYSA-N 0 1 309.366 2.363 20 5 DEBDMN C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1NC(=O)[O-] ZINC000826058495 603625988 /nfs/dbraw/zinc/62/59/88/603625988.db2.gz ORFCXMZMEBKQME-TVQRCGJNSA-N 0 1 311.313 2.212 20 5 DEBDMN C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1NC(=O)[O-] ZINC000826058495 603625990 /nfs/dbraw/zinc/62/59/90/603625990.db2.gz ORFCXMZMEBKQME-TVQRCGJNSA-N 0 1 311.313 2.212 20 5 DEBDMN CN(C[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000828223514 604095171 /nfs/dbraw/zinc/09/51/71/604095171.db2.gz NHMFINHLWCIDMF-CQSZACIVSA-N 0 1 307.350 2.212 20 5 DEBDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 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CC(C)(C)c1nc(CNc2ccc([N+](=O)[O-])c(N)c2F)n[nH]1 ZINC000413407920 526847808 /nfs/dbraw/zinc/84/78/08/526847808.db2.gz HVHOMFKCQRZIOM-UHFFFAOYSA-N 0 1 308.317 2.344 20 5 DEBDMN CC(C)c1nc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000295790879 528439378 /nfs/dbraw/zinc/43/93/78/528439378.db2.gz RINNNMYCYKBACE-UHFFFAOYSA-N 0 1 323.740 2.420 20 5 DEBDMN O=C1[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]2CCCCN12 ZINC000835071945 649874822 /nfs/dbraw/zinc/87/48/22/649874822.db2.gz AIFZDZPAWSSKDW-AAEUAGOBSA-N 0 1 323.780 2.491 20 5 DEBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCC(=O)[O-] ZINC000818075811 597002357 /nfs/dbraw/zinc/00/23/57/597002357.db2.gz NPMPXQAZCFUCLB-VIFPVBQESA-N 0 1 320.305 2.112 20 5 DEBDMN C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(C(=O)[O-])CC1 ZINC000828341946 603980901 /nfs/dbraw/zinc/98/09/01/603980901.db2.gz WRAPWEKQOHSZRL-UHFFFAOYSA-N 0 1 323.349 2.048 20 5 DEBDMN Cc1c(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000829859394 604106004 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Cc1nn(CCc2nc([C@H](N)CC(C)C)no2)c(C)c1[N+](=O)[O-] ZINC000339389509 526282835 /nfs/dbraw/zinc/28/28/35/526282835.db2.gz CWNKIVQHOXGADW-LLVKDONJSA-N 0 1 322.369 2.080 20 5 DEBDMN CC(C)Oc1cc(C(=O)N2CCNC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000413549613 528099137 /nfs/dbraw/zinc/09/91/37/528099137.db2.gz JTDDQFVDJSLSOL-UHFFFAOYSA-N 0 1 321.377 2.206 20 5 DEBDMN CCS[C@@H]1CC[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000331037012 529219214 /nfs/dbraw/zinc/21/92/14/529219214.db2.gz ABSBLLDULWKSQW-NXEZZACHSA-N 0 1 312.395 2.373 20 5 DEBDMN COC[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246734207 536763212 /nfs/dbraw/zinc/76/32/12/536763212.db2.gz LNJQFOXVOOQBFX-CHWSQXEVSA-N 0 1 321.377 2.280 20 5 DEBDMN O=C([O-])[C@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000819286976 596898607 /nfs/dbraw/zinc/89/86/07/596898607.db2.gz LFAFIPQZFRMJNS-QMMMGPOBSA-N 0 1 323.330 2.236 20 5 DEBDMN O=C([O-])[C@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000819286976 596898609 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20 5 DEBDMN CN1c2ccccc2C[C@H](NCc2cccc([N+](=O)[O-])c2)C1=O ZINC001658265304 1080204073 /nfs/dbraw/zinc/20/40/73/1080204073.db2.gz PKOQXXQNHARRHI-HNNXBMFYSA-N 0 1 311.341 2.272 20 5 DEBDMN CCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC001669070971 1081425644 /nfs/dbraw/zinc/42/56/44/1081425644.db2.gz JSRQYCSZBDAIKG-LBPRGKRZSA-N 0 1 306.366 2.461 20 5 DEBDMN C[C@@H]1COC[C@H]1NCc1cccc([N+](=O)[O-])c1Br ZINC000710874824 1086689635 /nfs/dbraw/zinc/68/96/35/1086689635.db2.gz DKGXINCGPWRRDQ-PSASIEDQSA-N 0 1 315.167 2.482 20 5 DEBDMN O=[N+]([O-])c1cc(Cl)ccc1CNCCOC[C@H]1CCOC1 ZINC001119942364 1090576393 /nfs/dbraw/zinc/57/63/93/1090576393.db2.gz AJBWCZBXKSFMMR-NSHDSACASA-N 0 1 314.769 2.391 20 5 DEBDMN CC(C)CC(=O)NC/C=C/CNCc1ccccc1[N+](=O)[O-] ZINC001273814692 1092153967 /nfs/dbraw/zinc/15/39/67/1092153967.db2.gz KCWYCEPLMCPPCP-AATRIKPKSA-N 0 1 305.378 2.403 20 5 DEBDMN C[C@H]1CCN[C@@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001247800016 1141522637 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Cc1cc(C(=O)N2CCC(c3nc[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000082981361 355460146 /nfs/dbraw/zinc/46/01/46/355460146.db2.gz CUHPKCXSIZLFDW-UHFFFAOYSA-N 0 1 315.333 2.041 20 5 DEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000092966989 355659587 /nfs/dbraw/zinc/65/95/87/355659587.db2.gz RGHCPUNKRIYBSA-ZDUSSCGKSA-N 0 1 302.334 2.334 20 5 DEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000092966989 355659589 /nfs/dbraw/zinc/65/95/89/355659589.db2.gz RGHCPUNKRIYBSA-ZDUSSCGKSA-N 0 1 302.334 2.334 20 5 DEBDMN O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000184934855 356199660 /nfs/dbraw/zinc/19/96/60/356199660.db2.gz KWEHZMIGPNPDAO-UHFFFAOYSA-N 0 1 323.312 2.310 20 5 DEBDMN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN)o2)cc1[N+](=O)[O-] ZINC000237531624 356298337 /nfs/dbraw/zinc/29/83/37/356298337.db2.gz BSXZBVVGYRLTPR-SNVBAGLBSA-N 0 1 303.318 2.446 20 5 DEBDMN O=[N+]([O-])c1ccc2oc(CN(CCCCO)C3CC3)nc2c1 ZINC000304815113 356398530 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ZINC000611516686 361620263 /nfs/dbraw/zinc/62/02/63/361620263.db2.gz WLLGIBPOGMNCAD-AWEZNQCLSA-N 0 1 321.421 2.353 20 5 DEBDMN C[C@@H]1CN(CCN(C)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000195304552 201377273 /nfs/dbraw/zinc/37/72/73/201377273.db2.gz UQSVYQUCNFDCBR-OKILXGFUSA-N 0 1 307.394 2.136 20 5 DEBDMN O=[N+]([O-])c1ccc(Cl)c(CN(CCO)C2CCOCC2)c1 ZINC000275469657 212353661 /nfs/dbraw/zinc/35/36/61/212353661.db2.gz COGMIGLMYFRRHE-UHFFFAOYSA-N 0 1 314.769 2.222 20 5 DEBDMN Cc1ccc(CN2CCC(c3nncn3C)CC2)cc1[N+](=O)[O-] ZINC000091795020 193110433 /nfs/dbraw/zinc/11/04/33/193110433.db2.gz XKSQVSGQPFZYOF-UHFFFAOYSA-N 0 1 315.377 2.411 20 5 DEBDMN COCc1cc([N+](=O)[O-])ccc1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000450785638 242220797 /nfs/dbraw/zinc/22/07/97/242220797.db2.gz BJBLDOXWLOQJAA-GASCZTMLSA-N 0 1 321.377 2.016 20 5 DEBDMN CCOc1cc(NCCN2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000450790425 242230603 /nfs/dbraw/zinc/23/06/03/242230603.db2.gz KOUQRWJFSJOTDR-OKILXGFUSA-N 0 1 321.377 2.269 20 5 DEBDMN C[C@@H](C(=O)NC1CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543162 243092189 /nfs/dbraw/zinc/09/21/89/243092189.db2.gz BBVLGEFENJGNMQ-JSGCOSHPSA-N 0 1 317.389 2.441 20 5 DEBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[C@@H](F)C1 ZINC000452803862 244622553 /nfs/dbraw/zinc/62/25/53/244622553.db2.gz YPTWNBSOUJSQOZ-SNVBAGLBSA-N 0 1 304.281 2.169 20 5 DEBDMN COC(=O)[C@]1(C)CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000282444583 217000392 /nfs/dbraw/zinc/00/03/92/217000392.db2.gz JURMTWHTPHURMJ-MEBBXXQBSA-N 0 1 310.325 2.365 20 5 DEBDMN CCc1[nH]nc(C(=O)N(C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000264598038 204018969 /nfs/dbraw/zinc/01/89/69/204018969.db2.gz IHPMQBYAQZZGSY-UHFFFAOYSA-N 0 1 302.334 2.461 20 5 DEBDMN CO[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000266119122 205113533 /nfs/dbraw/zinc/11/35/33/205113533.db2.gz IRBMUZVIOOWGKQ-QWHCGFSZSA-N 0 1 318.333 2.159 20 5 DEBDMN CSc1n[nH]c(NC(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000267963662 206364429 /nfs/dbraw/zinc/36/44/29/206364429.db2.gz MNVDWBHXINUZRG-UHFFFAOYSA-N 0 1 307.335 2.006 20 5 DEBDMN CC[C@H]1CN(C)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493536251 249318017 /nfs/dbraw/zinc/31/80/17/249318017.db2.gz ZSTAODZYIXYVAJ-MRZGDXHCSA-N 0 1 303.362 2.161 20 5 DEBDMN C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCOC1 ZINC000274044395 211302416 /nfs/dbraw/zinc/30/24/16/211302416.db2.gz OUMZYEAVLNXDAB-JQWIXIFHSA-N 0 1 318.333 2.159 20 5 DEBDMN CC(C)N1CC[C@@H](N(C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000285163684 218315448 /nfs/dbraw/zinc/31/54/48/218315448.db2.gz ASJAABHFRRZTIK-OAHLLOKOSA-N 0 1 305.378 2.078 20 5 DEBDMN CN(CCc1ccccc1[N+](=O)[O-])C[C@@](C)(O)C(F)(F)F ZINC000285208472 218333288 /nfs/dbraw/zinc/33/32/88/218333288.db2.gz DLMUJEXEJSVGIU-GFCCVEGCSA-N 0 1 306.284 2.382 20 5 DEBDMN O=[N+]([O-])c1cc(NS(=O)(=O)C[C@H]2CCCCO2)ccc1F ZINC000110096222 194310578 /nfs/dbraw/zinc/31/05/78/194310578.db2.gz NTGRUNVUMYSSIY-SNVBAGLBSA-N 0 1 318.326 2.045 20 5 DEBDMN CC[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000111026482 194385097 /nfs/dbraw/zinc/38/50/97/194385097.db2.gz CXUWVOAINXWHIE-KOLCDFICSA-N 0 1 318.333 2.111 20 5 DEBDMN COC(=O)CCCCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269161285 207285622 /nfs/dbraw/zinc/28/56/22/207285622.db2.gz YCPYBHNTWCKLNC-UHFFFAOYSA-N 0 1 324.333 2.154 20 5 DEBDMN CCO[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C12CCC2 ZINC000269197249 207315820 /nfs/dbraw/zinc/31/58/20/207315820.db2.gz QDVSSYBSMQSOSR-ZIAGYGMSSA-N 0 1 320.345 2.378 20 5 DEBDMN CC(C)c1[nH]nc(C(=O)N(C)CCc2nccs2)c1[N+](=O)[O-] ZINC000270050206 208105337 /nfs/dbraw/zinc/10/53/37/208105337.db2.gz HOQAGLCZOBXJLA-UHFFFAOYSA-N 0 1 323.378 2.213 20 5 DEBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccccc1F ZINC000557367378 291865473 /nfs/dbraw/zinc/86/54/73/291865473.db2.gz OPZHRTKKFAVAPE-ZDUSSCGKSA-N 0 1 320.320 2.263 20 5 DEBDMN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1c(F)cccc1F ZINC000271659745 209103632 /nfs/dbraw/zinc/10/36/32/209103632.db2.gz GLNIIGADZZJCCE-JTQLQIEISA-N 0 1 323.299 2.386 20 5 DEBDMN Cc1[nH]nc(C(=O)N2CCC(OCCC(C)C)CC2)c1[N+](=O)[O-] ZINC000299563256 533661246 /nfs/dbraw/zinc/66/12/46/533661246.db2.gz ULZOUEQMKZQOHW-UHFFFAOYSA-N 0 1 324.381 2.294 20 5 DEBDMN O=[N+]([O-])c1ccccc1CCN[C@H](c1nnc[nH]1)c1cccnc1 ZINC000340245495 131259064 /nfs/dbraw/zinc/25/90/64/131259064.db2.gz CXIMGWSYKAXZJN-HNNXBMFYSA-N 0 1 324.344 2.030 20 5 DEBDMN COC(=O)COc1ccc(CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000355608599 133037200 /nfs/dbraw/zinc/03/72/00/133037200.db2.gz QEUHLKQPEXPMBG-UHFFFAOYSA-N 0 1 322.361 2.379 20 5 DEBDMN Cc1c(CNCc2cnc(N(C)C)nc2)cccc1[N+](=O)[O-] ZINC000359808956 133146469 /nfs/dbraw/zinc/14/64/69/133146469.db2.gz VZLDIMBCTWKOFC-UHFFFAOYSA-N 0 1 301.350 2.049 20 5 DEBDMN Cc1cc(C(=O)Nc2nc(-c3ccncc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000360156526 133166158 /nfs/dbraw/zinc/16/61/58/133166158.db2.gz DUNFUEVKOPZDIC-UHFFFAOYSA-N 0 1 324.300 2.336 20 5 DEBDMN Cc1c([C@@H](C)NCc2ccc(C(N)=O)nc2)cccc1[N+](=O)[O-] ZINC000361927190 133200232 /nfs/dbraw/zinc/20/02/32/133200232.db2.gz RUZKIKRKQHZMTJ-LLVKDONJSA-N 0 1 314.345 2.248 20 5 DEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](c2ccncc2)C1 ZINC000563394237 292053277 /nfs/dbraw/zinc/05/32/77/292053277.db2.gz MTURXYSUXNKFMS-LBPRGKRZSA-N 0 1 313.313 2.325 20 5 DEBDMN CC(C)[N@H+]1CC[C@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000565038200 292129250 /nfs/dbraw/zinc/12/92/50/292129250.db2.gz LRYJSXINEBASRV-CYBMUJFWSA-N 0 1 321.377 2.364 20 5 DEBDMN CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000247730989 145143773 /nfs/dbraw/zinc/14/37/73/145143773.db2.gz UNXLCYFJWLJZBG-IUODEOHRSA-N 0 1 321.377 2.423 20 5 DEBDMN COC(=O)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000249063855 145177773 /nfs/dbraw/zinc/17/77/73/145177773.db2.gz JYPVFHLLLIBDJJ-QWHCGFSZSA-N 0 1 322.361 2.105 20 5 DEBDMN CCOCCN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255312395 145204161 /nfs/dbraw/zinc/20/41/61/145204161.db2.gz DZGOQMHJNQKWCL-ALCCZGGFSA-N 0 1 319.405 2.262 20 5 DEBDMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000565197346 292144939 /nfs/dbraw/zinc/14/49/39/292144939.db2.gz OOMYTKIKHAVZSG-GFCCVEGCSA-N 0 1 316.361 2.198 20 5 DEBDMN O=[N+]([O-])c1ccc(Cc2noc(-c3ccc4cncn4c3)n2)nc1 ZINC000346885686 146159445 /nfs/dbraw/zinc/15/94/45/146159445.db2.gz RYDLTFCDCOAERM-UHFFFAOYSA-N 0 1 322.284 2.278 20 5 DEBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000348391971 146264662 /nfs/dbraw/zinc/26/46/62/146264662.db2.gz ADVMZQBSLHBTFV-VXGBXAGGSA-N 0 1 321.377 2.206 20 5 DEBDMN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1COC[C@H]1O ZINC000348639869 146294046 /nfs/dbraw/zinc/29/40/46/146294046.db2.gz ZVOMDEAFJMRPKN-LSDHHAIUSA-N 0 1 318.329 2.046 20 5 DEBDMN C[C@@H]1C[C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000356881985 146994951 /nfs/dbraw/zinc/99/49/51/146994951.db2.gz SUIXTSMHTXILAY-NXEZZACHSA-N 0 1 318.333 2.016 20 5 DEBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ncccn1 ZINC000112532170 401748434 /nfs/dbraw/zinc/74/84/34/401748434.db2.gz RTWFCHFJQLAFBF-WDEREUQCSA-N 0 1 315.333 2.063 20 5 DEBDMN C[C@H](C[C@H]1CCCO1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000338706636 404488751 /nfs/dbraw/zinc/48/87/51/404488751.db2.gz YHWWLSMJIOFRSR-MWLCHTKSSA-N 0 1 318.333 2.159 20 5 DEBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCc1ccccc1 ZINC000128542372 401781988 /nfs/dbraw/zinc/78/19/88/401781988.db2.gz SBBGURKCGGHNTC-UHFFFAOYSA-N 0 1 324.333 2.255 20 5 DEBDMN O=C(NCC1(c2ccccc2Cl)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000135232504 401931591 /nfs/dbraw/zinc/93/15/91/401931591.db2.gz QEHCTDLDWGAVQU-UHFFFAOYSA-N 0 1 320.736 2.433 20 5 DEBDMN C[C@@H](CN1CCOCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000036932959 401909293 /nfs/dbraw/zinc/90/92/93/401909293.db2.gz VCYNFIHLEPRQOG-NSHDSACASA-N 0 1 313.785 2.059 20 5 DEBDMN O=C(Cc1[nH]nc2ccccc21)NCCc1cccc([N+](=O)[O-])c1 ZINC000089305217 401941694 /nfs/dbraw/zinc/94/16/94/401941694.db2.gz YXUDWDXBZSYXDR-UHFFFAOYSA-N 0 1 324.340 2.373 20 5 DEBDMN CO[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000122825127 402096348 /nfs/dbraw/zinc/09/63/48/402096348.db2.gz IANWCWKKGMTHSO-NSHDSACASA-N 0 1 324.724 2.089 20 5 DEBDMN Cc1cc(C(=O)N2CCN(CC3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000122097388 402061377 /nfs/dbraw/zinc/06/13/77/402061377.db2.gz AZCHCSMDEGYNFI-UHFFFAOYSA-N 0 1 303.362 2.071 20 5 DEBDMN CN(CC(F)(F)F)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000067681477 402167288 /nfs/dbraw/zinc/16/72/88/402167288.db2.gz USPAVRCWDSOJHR-UHFFFAOYSA-N 0 1 302.212 2.105 20 5 DEBDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000067703571 402168480 /nfs/dbraw/zinc/16/84/80/402168480.db2.gz JGEFIGSAQJJYJN-SNVBAGLBSA-N 0 1 309.753 2.215 20 5 DEBDMN O=C([O-])c1ccnc(NC[C@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000566298269 292227279 /nfs/dbraw/zinc/22/72/79/292227279.db2.gz RZWOKEKIKJOZHM-LLVKDONJSA-N 0 1 320.349 2.117 20 5 DEBDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000155570907 402261267 /nfs/dbraw/zinc/26/12/67/402261267.db2.gz CQJDBWDWCKFZSI-MNHHLFBFSA-N 0 1 321.352 2.298 20 5 DEBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC2(CC1)OCCO2 ZINC000126068538 402262635 /nfs/dbraw/zinc/26/26/35/402262635.db2.gz SCTXZNDWECKWQX-HWKANZROSA-N 0 1 304.346 2.447 20 5 DEBDMN CN(C)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000109424010 402272443 /nfs/dbraw/zinc/27/24/43/402272443.db2.gz QWCNRMAUKTWMPT-UHFFFAOYSA-N 0 1 321.358 2.462 20 5 DEBDMN CS[C@@H](CO)[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000219061687 402296980 /nfs/dbraw/zinc/29/69/80/402296980.db2.gz IZVUWZPBAVVBFP-PELKAZGASA-N 0 1 304.799 2.450 20 5 DEBDMN CCO[C@H]1C[C@H](N(C)C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1(C)C ZINC000185716369 402371480 /nfs/dbraw/zinc/37/14/80/402371480.db2.gz YVYQLHZMAYJVLD-QWRGUYRKSA-N 0 1 324.381 2.156 20 5 DEBDMN CCC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nn[nH]n1 ZINC000176750677 402333406 /nfs/dbraw/zinc/33/34/06/402333406.db2.gz GRKUPYSEDQHQGD-SECBINFHSA-N 0 1 324.728 2.033 20 5 DEBDMN CC[N@@H+](CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000186069596 402399026 /nfs/dbraw/zinc/39/90/26/402399026.db2.gz FBGLZQJHDZNFMT-UHFFFAOYSA-N 0 1 313.741 2.377 20 5 DEBDMN O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000163455567 402450422 /nfs/dbraw/zinc/45/04/22/402450422.db2.gz CSVCEZCDEQPXCG-RCOVLWMOSA-N 0 1 324.699 2.396 20 5 DEBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCCCc1cn[nH]n1 ZINC000186402940 402428680 /nfs/dbraw/zinc/42/86/80/402428680.db2.gz FEOOMPYSPGBPJN-UHFFFAOYSA-N 0 1 317.349 2.084 20 5 DEBDMN C[C@@H](NC(=O)CCCCc1cn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000186409910 402428891 /nfs/dbraw/zinc/42/88/91/402428891.db2.gz MQVYEMXGLOOWOW-LLVKDONJSA-N 0 1 317.349 2.303 20 5 DEBDMN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccccc1 ZINC000245574308 402471609 /nfs/dbraw/zinc/47/16/09/402471609.db2.gz DLODTFGQRYNHEI-CXAGYDPISA-N 0 1 313.357 2.450 20 5 DEBDMN 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DEBDMN Cc1ccc(NC(=O)C(=O)c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000436663933 405120104 /nfs/dbraw/zinc/12/01/04/405120104.db2.gz JOPBGHUEXHMAMQ-UHFFFAOYSA-N 0 1 300.270 2.430 20 5 DEBDMN O=C(C(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(O)cc1 ZINC000436777908 405137497 /nfs/dbraw/zinc/13/74/97/405137497.db2.gz PGHFLYUXBUXVRX-UHFFFAOYSA-N 0 1 312.281 2.072 20 5 DEBDMN CN(C)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc[nH+]1 ZINC000436789923 405139486 /nfs/dbraw/zinc/13/94/86/405139486.db2.gz FYCHEDBSYJHLEY-UHFFFAOYSA-N 0 1 302.290 2.014 20 5 DEBDMN O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1O ZINC000436759083 405135817 /nfs/dbraw/zinc/13/58/17/405135817.db2.gz RUJBCEXTABHBOE-UHFFFAOYSA-N 0 1 319.292 2.281 20 5 DEBDMN CC[C@H](NC(=O)c1ccnc(CN)c1)c1cccc([N+](=O)[O-])c1 ZINC000361607006 405159363 /nfs/dbraw/zinc/15/93/63/405159363.db2.gz ACFPXNJFCWCZQE-HNNXBMFYSA-N 0 1 314.345 2.330 20 5 DEBDMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436910645 405160700 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310.350 2.215 20 5 DEBDMN CCOC(=O)C1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000837593116 650227601 /nfs/dbraw/zinc/22/76/01/650227601.db2.gz SXRBYHWUQIPQOG-UHFFFAOYSA-N 0 1 323.301 2.077 20 5 DEBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(O)c(F)c3)CC2)n1 ZINC000894080768 636108746 /nfs/dbraw/zinc/10/87/46/636108746.db2.gz XLTJTDOEFMDSEC-UHFFFAOYSA-N 0 1 320.324 2.473 20 5 DEBDMN CC(C)O[C@@]1(CNCc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000922613514 636278899 /nfs/dbraw/zinc/27/88/99/636278899.db2.gz YCQSXNVIHNDFCY-OAHLLOKOSA-N 0 1 312.341 2.408 20 5 DEBDMN O=C(C[C@@H]1CCCC[C@H]1O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837696333 650249171 /nfs/dbraw/zinc/24/91/71/650249171.db2.gz CJLSNGMKXLGPMZ-IINYFYTJSA-N 0 1 309.318 2.285 20 5 DEBDMN COC(=O)CCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837707335 650253051 /nfs/dbraw/zinc/25/30/51/650253051.db2.gz KZUVUHKZWACWJU-UHFFFAOYSA-N 0 1 311.290 2.077 20 5 DEBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000923264814 637066072 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C[S@@](=O)C1(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000282344882 403145155 /nfs/dbraw/zinc/14/51/55/403145155.db2.gz MJWGQMGJMLDRPA-LJQANCHMSA-N 0 1 302.783 2.249 20 5 DEBDMN CC[C@H](O)[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269642121 403152847 /nfs/dbraw/zinc/15/28/47/403152847.db2.gz JPCIEZOEPZTJKZ-PMPSAXMXSA-N 0 1 308.378 2.254 20 5 DEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2=O)C1 ZINC000270926400 403240673 /nfs/dbraw/zinc/24/06/73/403240673.db2.gz PPGDSCLRJKZTFD-CHWSQXEVSA-N 0 1 303.362 2.353 20 5 DEBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccncc3)CC2)cn1 ZINC000339039207 403331927 /nfs/dbraw/zinc/33/19/27/403331927.db2.gz MQEZSZGPUYAKHL-UHFFFAOYSA-N 0 1 313.361 2.461 20 5 DEBDMN Cc1c(CNC(=O)CN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000331150224 403340211 /nfs/dbraw/zinc/34/02/11/403340211.db2.gz WWVAQJCZMBRVRY-UHFFFAOYSA-N 0 1 305.378 2.251 20 5 DEBDMN O=[N+]([O-])c1cccc(F)c1CN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339761945 403441181 /nfs/dbraw/zinc/44/11/81/403441181.db2.gz NSMFTBOSAAMUTF-CVEARBPZSA-N 0 1 324.352 2.144 20 5 DEBDMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000331671759 403447823 /nfs/dbraw/zinc/44/78/23/403447823.db2.gz QKAMOQBPVCLDMY-AOOOYVTPSA-N 0 1 317.349 2.282 20 5 DEBDMN Cn1cc([C@H]2CCCN2Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000331790485 403455654 /nfs/dbraw/zinc/45/56/54/403455654.db2.gz GSDAGEBRJDKSEL-CQSZACIVSA-N 0 1 302.334 2.371 20 5 DEBDMN CCN1C[C@H](C)N(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000345907041 403528572 /nfs/dbraw/zinc/52/85/72/403528572.db2.gz NIQAUVOCGAOHJA-OLZOCXBDSA-N 0 1 305.378 2.458 20 5 DEBDMN Cc1[nH]nc(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000293679495 403536132 /nfs/dbraw/zinc/53/61/32/403536132.db2.gz HACGWQOSAAUWCQ-ZDUSSCGKSA-N 0 1 315.333 2.245 20 5 DEBDMN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)CCCCF ZINC000294165969 403662960 /nfs/dbraw/zinc/66/29/60/403662960.db2.gz IWVFVTRMSAJASO-UHFFFAOYSA-N 0 1 306.315 2.095 20 5 DEBDMN C[C@H](N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)O ZINC000295174196 403783628 /nfs/dbraw/zinc/78/36/28/403783628.db2.gz OTVZPEZSYOURTK-JTQLQIEISA-N 0 1 320.349 2.236 20 5 DEBDMN C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000567173374 292294171 /nfs/dbraw/zinc/29/41/71/292294171.db2.gz XZDXPNXCRVXNDS-AAEUAGOBSA-N 0 1 308.334 2.159 20 5 DEBDMN C[N@H+]1CCC[C@@H]2CN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC[C@H]21 ZINC000322166536 404081717 /nfs/dbraw/zinc/08/17/17/404081717.db2.gz WPFSXVURUMEJPQ-CHWSQXEVSA-N 0 1 319.361 2.214 20 5 DEBDMN O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC000363124163 404083159 /nfs/dbraw/zinc/08/31/59/404083159.db2.gz PIYCBXWSCVZKCZ-UHFFFAOYSA-N 0 1 317.389 2.476 20 5 DEBDMN CCN1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000344426476 404129701 /nfs/dbraw/zinc/12/97/01/404129701.db2.gz IQMLXCQHQTZTPX-STQMWFEESA-N 0 1 305.378 2.458 20 5 DEBDMN CCN1C[C@H](C)N(C(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344422580 404125671 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O=C1CC[C@H](NCc2c(F)cccc2[N+](=O)[O-])C2(CCC2)N1 ZINC000338637384 404454315 /nfs/dbraw/zinc/45/43/15/404454315.db2.gz MVTQGNPTEWUQBQ-ZDUSSCGKSA-N 0 1 307.325 2.025 20 5 DEBDMN O=C(NC[C@H]1COc2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356548883 404584906 /nfs/dbraw/zinc/58/49/06/404584906.db2.gz ZQEDMLFJHHSSEX-NSHDSACASA-N 0 1 314.297 2.206 20 5 DEBDMN O=C(NC[C@@H]1COc2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356548879 404585162 /nfs/dbraw/zinc/58/51/62/404585162.db2.gz ZQEDMLFJHHSSEX-LLVKDONJSA-N 0 1 314.297 2.206 20 5 DEBDMN Cc1ncc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000414177789 404536721 /nfs/dbraw/zinc/53/67/21/404536721.db2.gz JFHZZLFLBTYXMP-QWHCGFSZSA-N 0 1 305.338 2.361 20 5 DEBDMN COC[C@@H]1CCCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000345175043 404594845 /nfs/dbraw/zinc/59/48/45/404594845.db2.gz KNXKCSJNUXGRIE-LLVKDONJSA-N 0 1 324.381 2.330 20 5 DEBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000356517859 404567510 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O=[N+]([O-])c1ccc(CN2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000825339007 648744687 /nfs/dbraw/zinc/74/46/87/648744687.db2.gz YAGCZAXZJCLOGA-LLVKDONJSA-N 0 1 309.322 2.097 20 5 DEBDMN Cc1cc(Cc2noc(CC(F)(F)CN)n2)ccc1[N+](=O)[O-] ZINC000844913744 651182546 /nfs/dbraw/zinc/18/25/46/651182546.db2.gz UQLNEKRHDXPKNN-UHFFFAOYSA-N 0 1 312.276 2.014 20 5 DEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000846282595 651320551 /nfs/dbraw/zinc/32/05/51/651320551.db2.gz SHBRFZNXNZKWIC-PVXIVEMSSA-N 0 1 320.345 2.079 20 5 DEBDMN CCc1nc([C@@H](C)OC(=O)c2ccc(NC)c([N+](=O)[O-])c2)n[nH]1 ZINC000849623270 651692401 /nfs/dbraw/zinc/69/24/01/651692401.db2.gz QFZFOFGDUWLKQD-MRVPVSSYSA-N 0 1 319.321 2.235 20 5 DEBDMN CCc1[nH]nc(C(=O)N2CCCSC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000888495410 651829771 /nfs/dbraw/zinc/82/97/71/651829771.db2.gz USQQWKCVDYFSRG-NSHDSACASA-N 0 1 324.406 2.238 20 5 DEBDMN COC(=O)CCN(Cn1ncc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000112958981 684061658 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DEBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](CCc1ccccc1)C(F)F ZINC000863731670 686561193 /nfs/dbraw/zinc/56/11/93/686561193.db2.gz XQPJSRLUGOMRIU-JHJVBQTASA-N 0 1 312.316 2.377 20 5 DEBDMN O=[N+]([O-])c1cccc(CN(C[C@@H](O)C2(O)CCCC2)C2CC2)c1 ZINC000929853329 694043363 /nfs/dbraw/zinc/04/33/63/694043363.db2.gz LLPNHKJPCUCCSW-MRXNPFEDSA-N 0 1 320.389 2.225 20 5 DEBDMN C[C@@H](NCC[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000930218408 694114095 /nfs/dbraw/zinc/11/40/95/694114095.db2.gz MQPKITKFQJMVAA-GFCCVEGCSA-N 0 1 314.345 2.261 20 5 DEBDMN Cc1ccc(CNC(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)s1 ZINC000867947536 687846195 /nfs/dbraw/zinc/84/61/95/687846195.db2.gz GNWQFTSKPQGLTC-HNNXBMFYSA-N 0 1 319.386 2.455 20 5 DEBDMN C[C@H](CCC1CC1)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867976904 687857492 /nfs/dbraw/zinc/85/74/92/687857492.db2.gz WJIVYRKQZZPGDI-BZNIZROVSA-N 0 1 305.378 2.464 20 5 DEBDMN C[C@H](C1CC1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000930590437 694195889 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DEBDMN COc1c(O)ccc(CN2CC[C@H]3OCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001334919432 1150354932 /nfs/dbraw/zinc/35/49/32/1150354932.db2.gz XAOHSIHSBFNWHZ-BXUZGUMPSA-N 0 1 322.361 2.310 20 5 DEBDMN O=C1COc2ccc(Nc3ccc(O)c([N+](=O)[O-])c3)cc2N1 ZINC001210400849 776893003 /nfs/dbraw/zinc/89/30/03/776893003.db2.gz MIZGMMGBJRKHCG-UHFFFAOYSA-N 0 1 301.258 2.375 20 5 DEBDMN O=C(OC[C@@H]1Cc2cc(F)ccc2O1)c1ccc([N+](=O)[O-])[nH]1 ZINC000740592449 784194252 /nfs/dbraw/zinc/19/42/52/784194252.db2.gz OHYKRMYBCPWCNS-JTQLQIEISA-N 0 1 306.249 2.223 20 5 DEBDMN CSc1ncc(Cl)c(CN[C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168988887 785005960 /nfs/dbraw/zinc/00/59/60/785005960.db2.gz UTEGAFRYTIHYAN-DTWKUNHWSA-N 0 1 316.814 2.387 20 5 DEBDMN C/C(=C\C(=O)NCCNCc1ccccc1[N+](=O)[O-])C1CC1 ZINC001124216853 796046602 /nfs/dbraw/zinc/04/66/02/796046602.db2.gz DDHITSSXBAKPJJ-ZRDIBKRKSA-N 0 1 303.362 2.157 20 5 DEBDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001141778472 796690087 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CCCOC[C@@H](C)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228242084 803334686 /nfs/dbraw/zinc/33/46/86/803334686.db2.gz KIKNCSMLYIMTDX-SECBINFHSA-N 0 1 307.306 2.438 20 5 DEBDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001589307735 953756587 /nfs/dbraw/zinc/75/65/87/953756587.db2.gz CLJCCFSUTYLKGM-UWVGGRQHSA-N 0 1 319.317 2.421 20 5 DEBDMN C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C(=O)[O-] ZINC001589356056 954144551 /nfs/dbraw/zinc/14/45/51/954144551.db2.gz YNQGSTFTJCOTPV-GXSJLCMTSA-N 0 1 318.333 2.014 20 5 DEBDMN C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C(=O)[O-] ZINC001589356056 954144556 /nfs/dbraw/zinc/14/45/56/954144556.db2.gz YNQGSTFTJCOTPV-GXSJLCMTSA-N 0 1 318.333 2.014 20 5 DEBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001594067607 958152310 /nfs/dbraw/zinc/15/23/10/958152310.db2.gz GFBITDWCHPKYGS-CMPLNLGQSA-N 0 1 308.334 2.289 20 5 DEBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C1CC1 ZINC001606434981 973885503 /nfs/dbraw/zinc/88/55/03/973885503.db2.gz LTIBJSCIGDERDV-NWDGAFQWSA-N 0 1 308.309 2.277 20 5 DEBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001604739259 973948427 /nfs/dbraw/zinc/94/84/27/973948427.db2.gz KYSASFXJFRLWMU-PWSUYJOCSA-N 0 1 308.334 2.146 20 5 DEBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC001593704066 996183075 /nfs/dbraw/zinc/18/30/75/996183075.db2.gz YPLMXVZBISNXAW-ZYHUDNBSSA-N 0 1 310.375 2.405 20 5 DEBDMN COC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC001599176429 996852811 /nfs/dbraw/zinc/85/28/11/996852811.db2.gz AXMVLMVCVUYMDV-GFCCVEGCSA-N 0 1 320.301 2.044 20 5 DEBDMN O=C([O-])c1cc[nH+]c(NCCNc2ccccc2[N+](=O)[O-])c1 ZINC001602483854 1069654396 /nfs/dbraw/zinc/65/43/96/1069654396.db2.gz IAJBZQNLTBWRFK-UHFFFAOYSA-N 0 1 302.290 2.212 20 5 DEBDMN C[C@H](c1ccccc1Cl)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 ZINC001603734870 1070063796 /nfs/dbraw/zinc/06/37/96/1070063796.db2.gz OORHCTJMGQETKI-SSDOTTSWSA-N 0 1 319.712 2.234 20 5 DEBDMN C[C@@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1C ZINC001604668809 1070462626 /nfs/dbraw/zinc/46/26/26/1070462626.db2.gz HYHMPYQVYMBZOC-BXUZGUMPSA-N 0 1 321.377 2.208 20 5 DEBDMN C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001604699636 1070470640 /nfs/dbraw/zinc/47/06/40/1070470640.db2.gz AXXBBNZHLSYFNM-MEDUHNTESA-N 0 1 322.361 2.276 20 5 DEBDMN CSc1c(F)cccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001528397616 1070666798 /nfs/dbraw/zinc/66/67/98/1070666798.db2.gz WTUXLXLCWOEBDC-UHFFFAOYSA-N 0 1 310.310 2.442 20 5 DEBDMN C[S@@](=O)(=NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cccc(F)c1 ZINC001457089339 1057944692 /nfs/dbraw/zinc/94/46/92/1057944692.db2.gz FYFFGLPZXVSNMX-NRFANRHFSA-N 0 1 311.294 2.359 20 5 DEBDMN Cn1c(=O)c2cc3ccccc3cc2nc1SCc1c[nH]nn1 ZINC001458860120 1058104788 /nfs/dbraw/zinc/10/47/88/1058104788.db2.gz PVVJVDJRBJKQHU-UHFFFAOYSA-N 0 1 323.381 2.497 20 5 DEBDMN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001464293831 1059108220 /nfs/dbraw/zinc/10/82/20/1059108220.db2.gz GPJSYNYMFLYSLY-OASPWFOLSA-N 0 1 300.318 2.299 20 5 DEBDMN CCc1ncc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)[nH]1 ZINC001472020236 1060366269 /nfs/dbraw/zinc/36/62/69/1060366269.db2.gz DPKVOIASFXTFFT-UHFFFAOYSA-N 0 1 323.740 2.046 20 5 DEBDMN CN(CCNCc1ccccc1[N+](=O)[O-])C(=O)CC(C)(F)F ZINC001567557349 1064252298 /nfs/dbraw/zinc/25/22/98/1064252298.db2.gz KMAWYMVCELWEAP-UHFFFAOYSA-N 0 1 315.320 2.188 20 5 DEBDMN O=C([O-])COc1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC001610786316 1078076277 /nfs/dbraw/zinc/07/62/77/1078076277.db2.gz CVRCQWIDGRTQQS-CYBMUJFWSA-N 0 1 320.345 2.290 20 5 DEBDMN Cc1[nH]ncc1CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001624310082 1078219946 /nfs/dbraw/zinc/21/99/46/1078219946.db2.gz AMVYNYUWSMPYLJ-UHFFFAOYSA-N 0 1 306.297 2.128 20 5 DEBDMN CCc1cc(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001627676576 1078281138 /nfs/dbraw/zinc/28/11/38/1078281138.db2.gz JRHMUROZKKDHSF-CABCVRRESA-N 0 1 314.345 2.300 20 5 DEBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CN(C)CC1(C)C ZINC001635648152 1078455491 /nfs/dbraw/zinc/45/54/91/1078455491.db2.gz CMWAHTHZNBTCPQ-CYBMUJFWSA-N 0 1 321.377 2.064 20 5 DEBDMN Cc1cc(C[C@@H](C)NC(=O)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC001636281252 1078473084 /nfs/dbraw/zinc/47/30/84/1078473084.db2.gz FYINLZPAXWZVMU-MRVPVSSYSA-N 0 1 306.297 2.126 20 5 DEBDMN O=C(N[C@@H]1CO[C@H]1c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001636763433 1078490079 /nfs/dbraw/zinc/49/00/79/1078490079.db2.gz KXPKSDULWWRNES-CABCVRRESA-N 0 1 314.297 2.170 20 5 DEBDMN CC1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC(F)(F)C1 ZINC001637286594 1078512356 /nfs/dbraw/zinc/51/23/56/1078512356.db2.gz KMBOOPUKLSTASO-UHFFFAOYSA-N 0 1 310.260 2.389 20 5 DEBDMN CC(C)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC001639902982 1078632708 /nfs/dbraw/zinc/63/27/08/1078632708.db2.gz ARTFZOZVPFAJEM-AWEZNQCLSA-N 0 1 318.333 2.161 20 5 DEBDMN CSCc1n[nH]c(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC001640418800 1078659541 /nfs/dbraw/zinc/65/95/41/1078659541.db2.gz RTNOGICENOOUSI-UHFFFAOYSA-N 0 1 319.350 2.064 20 5 DEBDMN CSCc1nnc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH]1 ZINC001640418800 1078659545 /nfs/dbraw/zinc/65/95/45/1078659545.db2.gz RTNOGICENOOUSI-UHFFFAOYSA-N 0 1 319.350 2.064 20 5 DEBDMN CCN1CC[C@@H]1CNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001640319927 1078654164 /nfs/dbraw/zinc/65/41/64/1078654164.db2.gz FARGERWXPGRITQ-LLVKDONJSA-N 0 1 304.325 2.210 20 5 DEBDMN O=C(NCCC1CCC(F)(F)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001640364741 1078657479 /nfs/dbraw/zinc/65/74/79/1078657479.db2.gz JGWIFKTYZRGDAB-UHFFFAOYSA-N 0 1 302.281 2.263 20 5 DEBDMN Nc1cc(NC[C@@H]2CCN2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001515908649 1068905080 /nfs/dbraw/zinc/90/50/80/1068905080.db2.gz PIHJRCFXWNSYRH-ZDUSSCGKSA-N 0 1 313.361 2.258 20 5 DEBDMN Cc1n[nH]c(C(=O)N(Cc2ccccn2)CC(C)C)c1[N+](=O)[O-] ZINC001645110214 1078878270 /nfs/dbraw/zinc/87/82/70/1078878270.db2.gz BOJGMIDATOZIBY-UHFFFAOYSA-N 0 1 317.349 2.320 20 5 DEBDMN O=C(N[C@@H](C1CC1)[C@@H]1CCCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001646158859 1074354225 /nfs/dbraw/zinc/35/42/25/1074354225.db2.gz MNIOCWJAKIYAFE-ABAIWWIYSA-N 0 1 320.345 2.235 20 5 DEBDMN O=C(N[C@H](C1CC1)[C@@H]1CCCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001646158860 1074354363 /nfs/dbraw/zinc/35/43/63/1074354363.db2.gz MNIOCWJAKIYAFE-IAQYHMDHSA-N 0 1 320.345 2.235 20 5 DEBDMN C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C1=NN(C)CC1=O ZINC001646316778 1074411529 /nfs/dbraw/zinc/41/15/29/1074411529.db2.gz HANXBVGFOIKFEE-VHSXEESVSA-N 0 1 318.333 2.015 20 5 DEBDMN CCc1cc(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])n[nH]1 ZINC001585770559 1076366840 /nfs/dbraw/zinc/36/68/40/1076366840.db2.gz JQJFTUWPJNQVRC-UHFFFAOYSA-N 0 1 320.324 2.268 20 5 DEBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC001587925400 1076430180 /nfs/dbraw/zinc/43/01/80/1076430180.db2.gz RCYPFAWENNVRMH-KKUMJFAQSA-N 0 1 320.345 2.066 20 5 DEBDMN O=[N+]([O-])c1cn(Cc2ccc3ccccc3c2)nc1-c1nn[nH]n1 ZINC001593485666 1077010718 /nfs/dbraw/zinc/01/07/18/1077010718.db2.gz FLLHIXMSAPZHDR-UHFFFAOYSA-N 0 1 321.300 2.173 20 5 DEBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001609714586 1077908693 /nfs/dbraw/zinc/90/86/93/1077908693.db2.gz WNDBXRWQZQVDLG-NHAGDIPZSA-N 0 1 320.345 2.144 20 5 DEBDMN Cc1nc(NCc2n[nH]c(-c3ccccc3)n2)ncc1[N+](=O)[O-] ZINC001650719448 1079770152 /nfs/dbraw/zinc/77/01/52/1079770152.db2.gz PMBOKSGOHPBYTF-UHFFFAOYSA-N 0 1 311.305 2.090 20 5 DEBDMN Cc1nc(NCc2nc(-c3ccccc3)n[nH]2)ncc1[N+](=O)[O-] ZINC001650719448 1079770157 /nfs/dbraw/zinc/77/01/57/1079770157.db2.gz PMBOKSGOHPBYTF-UHFFFAOYSA-N 0 1 311.305 2.090 20 5 DEBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1=NN(C)CC1=O ZINC001653244840 1079921259 /nfs/dbraw/zinc/92/12/59/1079921259.db2.gz IVPCZEZKOCEKLL-ZETCQYMHSA-N 0 1 324.724 2.178 20 5 DEBDMN O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)c1ccccc1O)C2 ZINC001654399759 1079964304 /nfs/dbraw/zinc/96/43/04/1079964304.db2.gz OXZLTKNOTYTZCW-UHFFFAOYSA-N 0 1 320.326 2.005 20 5 DEBDMN C[C@@H](NS(=O)(=O)c1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC001661490211 1080486686 /nfs/dbraw/zinc/48/66/86/1080486686.db2.gz JVYNSTNKSKAKPG-SNVBAGLBSA-N 0 1 322.342 2.340 20 5 DEBDMN CC(C)(C)/C=C/C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001124883718 1080509460 /nfs/dbraw/zinc/50/94/60/1080509460.db2.gz TUJFZWOQGIKGBW-SNAWJCMRSA-N 0 1 311.407 2.464 20 5 DEBDMN C/C=C(/C)C(=O)N(C)CCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001667549519 1081262055 /nfs/dbraw/zinc/26/20/55/1081262055.db2.gz ULYCCIDZGGTGLH-ACAGNQJTSA-N 0 1 305.378 2.451 20 5 DEBDMN CC(=O)c1ccc(F)c(-c2noc(-c3[nH]cnc3[N+](=O)[O-])n2)c1 ZINC001212893076 1087755029 /nfs/dbraw/zinc/75/50/29/1087755029.db2.gz LLKZUFAMVMBAFE-UHFFFAOYSA-N 0 1 317.236 2.377 20 5 DEBDMN CN(C)c1ccccc1-c1noc(-c2[nH]cnc2[N+](=O)[O-])n1 ZINC001212893093 1087755287 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5 DEBDMN COc1cc(CNCC2=CCCOC2)c([N+](=O)[O-])cc1OC ZINC000288398137 220132152 /nfs/dbraw/zinc/13/21/52/220132152.db2.gz HPZJVCFXLVMALP-UHFFFAOYSA-N 0 1 308.334 2.048 20 5 DEBDMN CC[C@@H]1CN(CC)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000456393516 247154987 /nfs/dbraw/zinc/15/49/87/247154987.db2.gz YABLTEFCMKQDNK-CQSZACIVSA-N 0 1 305.378 2.080 20 5 DEBDMN CCc1nc([C@@H](C)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000492252781 249024296 /nfs/dbraw/zinc/02/42/96/249024296.db2.gz PDSQSBJWLLTNCB-ABRRARGCSA-N 0 1 315.333 2.166 20 5 DEBDMN CC[C@H]1CN(C)CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493274018 249267250 /nfs/dbraw/zinc/26/72/50/249267250.db2.gz RLBIELMIOCXUOJ-VSKVDJIOSA-N 0 1 321.352 2.300 20 5 DEBDMN CC[C@@H]1CN(C)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493536250 249318500 /nfs/dbraw/zinc/31/85/00/249318500.db2.gz ZSTAODZYIXYVAJ-DEBLGDTFSA-N 0 1 303.362 2.161 20 5 DEBDMN Cc1nnc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000273967938 211222650 /nfs/dbraw/zinc/22/26/50/211222650.db2.gz QLIFCNIQDCSPAB-UHFFFAOYSA-N 0 1 307.285 2.077 20 5 DEBDMN C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000057281816 184032201 /nfs/dbraw/zinc/03/22/01/184032201.db2.gz QCNRHMPKJUUEKB-SECBINFHSA-N 0 1 311.301 2.357 20 5 DEBDMN O=[N+]([O-])c1ccccc1CN(CCCN1CCOCC1)C1CC1 ZINC000135241339 207356879 /nfs/dbraw/zinc/35/68/79/207356879.db2.gz XBZRMDCHJMDVOR-UHFFFAOYSA-N 0 1 319.405 2.282 20 5 DEBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@H]1CCC[C@H]1O ZINC000270222633 208287239 /nfs/dbraw/zinc/28/72/39/208287239.db2.gz ZELGMRWSPYDXMV-LALPHHSUSA-N 0 1 321.377 2.015 20 5 DEBDMN O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H](c2nc[nH]n2)C1 ZINC000425277980 285102136 /nfs/dbraw/zinc/10/21/36/285102136.db2.gz DDOHEEMCPOWOMA-NSHDSACASA-N 0 1 310.317 2.255 20 5 DEBDMN CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000542619897 285237409 /nfs/dbraw/zinc/23/74/09/285237409.db2.gz PXZBNKIKJHHTKG-UHFFFAOYSA-N 0 1 321.377 2.247 20 5 DEBDMN COCc1cc([N+](=O)[O-])ccc1NCc1n[nH]c(C2CC2)n1 ZINC000294880843 224283003 /nfs/dbraw/zinc/28/30/03/224283003.db2.gz FDFKEZOQYDWRTB-UHFFFAOYSA-N 0 1 303.322 2.349 20 5 DEBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCSC1 ZINC000355483901 133029027 /nfs/dbraw/zinc/02/90/27/133029027.db2.gz HTIJLBZTSFQBSU-VIFPVBQESA-N 0 1 319.346 2.072 20 5 DEBDMN CC(C)(C(=O)NCc1cnc[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000358110958 133121520 /nfs/dbraw/zinc/12/15/20/133121520.db2.gz TYCCIDKLDQYFKL-UHFFFAOYSA-N 0 1 306.297 2.051 20 5 DEBDMN CC[C@H](C)N1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000563022391 292025563 /nfs/dbraw/zinc/02/55/63/292025563.db2.gz RECYWJWVHBSGSD-ZDUSSCGKSA-N 0 1 320.393 2.221 20 5 DEBDMN CNc1c(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000564586532 292100906 /nfs/dbraw/zinc/10/09/06/292100906.db2.gz RQALUVRMPXVNRA-LBPRGKRZSA-N 0 1 320.393 2.239 20 5 DEBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000346759110 146138247 /nfs/dbraw/zinc/13/82/47/146138247.db2.gz AMPOVALOPKMXJO-VXGBXAGGSA-N 0 1 321.377 2.158 20 5 DEBDMN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1COC[C@@H]1O ZINC000348639868 146293802 /nfs/dbraw/zinc/29/38/02/146293802.db2.gz ZVOMDEAFJMRPKN-GJZGRUSLSA-N 0 1 318.329 2.046 20 5 DEBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC2(CCC2(F)F)C1 ZINC000359537268 147346207 /nfs/dbraw/zinc/34/62/07/147346207.db2.gz JXGFXYCCVDGGQL-UHFFFAOYSA-N 0 1 322.271 2.342 20 5 DEBDMN CCc1nc(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000011714439 401776203 /nfs/dbraw/zinc/77/62/03/401776203.db2.gz NPSZQMWPRCPLLM-QMMMGPOBSA-N 0 1 321.362 2.395 20 5 DEBDMN CCc1n[nH]c(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000011714439 401776205 /nfs/dbraw/zinc/77/62/05/401776205.db2.gz NPSZQMWPRCPLLM-QMMMGPOBSA-N 0 1 321.362 2.395 20 5 DEBDMN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000023675635 401828540 /nfs/dbraw/zinc/82/85/40/401828540.db2.gz RDLWLYDUMBIPJF-JSGCOSHPSA-N 0 1 317.345 2.080 20 5 DEBDMN C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000026156635 401839184 /nfs/dbraw/zinc/83/91/84/401839184.db2.gz JDUPWNTZVCDFMG-TXEJJXNPSA-N 0 1 307.350 2.033 20 5 DEBDMN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000089635349 401954548 /nfs/dbraw/zinc/95/45/48/401954548.db2.gz VNMLGFRHCWJFJY-PWSUYJOCSA-N 0 1 314.407 2.377 20 5 DEBDMN CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000089634774 401954576 /nfs/dbraw/zinc/95/45/76/401954576.db2.gz QCCLOBDLPCWMQK-RYUDHWBXSA-N 0 1 314.407 2.377 20 5 DEBDMN O=C(NC(C1CC1)C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000046331063 401968783 /nfs/dbraw/zinc/96/87/83/401968783.db2.gz RUKYKRZMWVIJCX-UHFFFAOYSA-N 0 1 300.318 2.390 20 5 DEBDMN CCOC(=O)[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051202398 402032872 /nfs/dbraw/zinc/03/28/72/402032872.db2.gz BQMHOLRMSXBDPX-ZDUSSCGKSA-N 0 1 322.361 2.249 20 5 DEBDMN C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1C ZINC000122604437 402086651 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O=C([O-])[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000164655624 402466513 /nfs/dbraw/zinc/46/65/13/402466513.db2.gz QCUSWMQSHKDOIK-GFCCVEGCSA-N 0 1 308.334 2.160 20 5 DEBDMN CCOc1cc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000566368918 292234054 /nfs/dbraw/zinc/23/40/54/292234054.db2.gz VONJPXPPTRCCRS-OAHLLOKOSA-N 0 1 308.334 2.290 20 5 DEBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccncc1 ZINC000178419865 402496513 /nfs/dbraw/zinc/49/65/13/402496513.db2.gz ZNNLTNXHHMVHJX-UHFFFAOYSA-N 0 1 307.331 2.407 20 5 DEBDMN CCc1[nH]nc(C(=O)N(C)OCc2ccccc2)c1[N+](=O)[O-] ZINC000178859354 402547819 /nfs/dbraw/zinc/54/78/19/402547819.db2.gz YJKIWGYBHYUYBP-UHFFFAOYSA-N 0 1 304.306 2.084 20 5 DEBDMN COc1ccc(CN2CCC(C3OCCO3)CC2)cc1[N+](=O)[O-] ZINC000171237767 402569949 /nfs/dbraw/zinc/56/99/49/402569949.db2.gz LTAPGIANCYYRJM-UHFFFAOYSA-N 0 1 322.361 2.188 20 5 DEBDMN C[C@@H]1CC[C@@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000190383661 402596766 /nfs/dbraw/zinc/59/67/66/402596766.db2.gz HIEFODSZPCAYHZ-CJNGLKHVSA-N 0 1 305.378 2.284 20 5 DEBDMN CCOc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000181327782 402641699 /nfs/dbraw/zinc/64/16/99/402641699.db2.gz FJMGGYCACHMAON-UHFFFAOYSA-N 0 1 323.330 2.189 20 5 DEBDMN Cc1occc1CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182221223 402673412 /nfs/dbraw/zinc/67/34/12/402673412.db2.gz TWVQAOMXYQMMTN-CQSZACIVSA-N 0 1 320.345 2.368 20 5 DEBDMN CCc1[nH]nc(C(=O)N(C)C[C@@H](C)c2nccs2)c1[N+](=O)[O-] ZINC000182925176 402727461 /nfs/dbraw/zinc/72/74/61/402727461.db2.gz OENDJNJGUNMZPM-MRVPVSSYSA-N 0 1 323.378 2.213 20 5 DEBDMN CC(C)(C)NC(=O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192639026 402741575 /nfs/dbraw/zinc/74/15/75/402741575.db2.gz WZUSLVRGDUNBQA-CQSZACIVSA-N 0 1 305.378 2.477 20 5 DEBDMN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000183178647 402745315 /nfs/dbraw/zinc/74/53/15/402745315.db2.gz PQANPYOSRDHKFS-GXTWGEPZSA-N 0 1 312.391 2.040 20 5 DEBDMN CCOc1ccc([N+](=O)[O-])cc1CN1[C@@H]2CC[C@H]1CC(O)C2 ZINC000175223840 402789533 /nfs/dbraw/zinc/78/95/33/402789533.db2.gz KPDOVTYXFMQIRA-NNQSOWQGSA-N 0 1 306.362 2.481 20 5 DEBDMN O=C(NCCOC1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000194309033 402791775 /nfs/dbraw/zinc/79/17/75/402791775.db2.gz IQUFOBHOTKIWCZ-UHFFFAOYSA-N 0 1 318.333 2.160 20 5 DEBDMN CN1C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000263797735 402805611 /nfs/dbraw/zinc/80/56/11/402805611.db2.gz ZRSLZLUVCCKEKB-NSHDSACASA-N 0 1 315.329 2.175 20 5 DEBDMN CN1CC2(C1)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000279218822 402917485 /nfs/dbraw/zinc/91/74/85/402917485.db2.gz HVLYMBCWOGLXPZ-UHFFFAOYSA-N 0 1 324.768 2.418 20 5 DEBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280514479 403008353 /nfs/dbraw/zinc/00/83/53/403008353.db2.gz DHUUJLYXEBGBIO-INIZCTEOSA-N 0 1 321.377 2.079 20 5 DEBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@](C)(C(N)=O)C1 ZINC000280514479 403008354 /nfs/dbraw/zinc/00/83/54/403008354.db2.gz DHUUJLYXEBGBIO-INIZCTEOSA-N 0 1 321.377 2.079 20 5 DEBDMN CCC1(O)CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000266586842 402976378 /nfs/dbraw/zinc/97/63/78/402976378.db2.gz KOKUPOHUNCRPOH-UHFFFAOYSA-N 0 1 324.377 2.219 20 5 DEBDMN CCCc1[nH]nc(C(=O)N(C)CCCSC)c1[N+](=O)[O-] ZINC000281774985 403090507 /nfs/dbraw/zinc/09/05/07/403090507.db2.gz USTXYHOCXXUVKJ-UHFFFAOYSA-N 0 1 300.384 2.096 20 5 DEBDMN CC(C)N(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccco1 ZINC000270596717 403203857 /nfs/dbraw/zinc/20/38/57/403203857.db2.gz VBOSGAZGYOYVEY-UHFFFAOYSA-N 0 1 305.334 2.260 20 5 DEBDMN CCc1nc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000270624346 403206593 /nfs/dbraw/zinc/20/65/93/403206593.db2.gz GGTHLFHNQYLFER-SECBINFHSA-N 0 1 318.337 2.466 20 5 DEBDMN C[C@@H]1CN(CCCNc2ccc(N)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000283683069 403214817 /nfs/dbraw/zinc/21/48/17/403214817.db2.gz XYLIXPIUKKCYSN-TXEJJXNPSA-N 0 1 308.382 2.088 20 5 DEBDMN 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CC(C)CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000020543578 182228994 /nfs/dbraw/zinc/22/89/94/182228994.db2.gz ZEILWIAKMPBFNK-UHFFFAOYSA-N 0 1 306.366 2.400 20 5 DEBDMN CCOC(=O)c1cc(N2CCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000267563883 206147007 /nfs/dbraw/zinc/14/70/07/206147007.db2.gz VPNAUXKGKDSTFQ-UHFFFAOYSA-N 0 1 321.377 2.302 20 5 DEBDMN Cc1cccc(C(=O)NCc2n[nH]c(C(C)(C)C)n2)c1[N+](=O)[O-] ZINC000458016962 248114379 /nfs/dbraw/zinc/11/43/79/248114379.db2.gz FQADILRHPLAWFW-UHFFFAOYSA-N 0 1 317.349 2.249 20 5 DEBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2n[nH]c(C(C)(C)C)n2)c1 ZINC000458027543 248119409 /nfs/dbraw/zinc/11/94/09/248119409.db2.gz QXAZLHQJPAWUCW-UHFFFAOYSA-N 0 1 317.349 2.249 20 5 DEBDMN COC1CCC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000458042506 248123203 /nfs/dbraw/zinc/12/32/03/248123203.db2.gz OCYTVWBDHRKOBQ-UHFFFAOYSA-N 0 1 318.333 2.159 20 5 DEBDMN C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000492280959 249030209 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C[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000269105630 207245245 /nfs/dbraw/zinc/24/52/45/207245245.db2.gz BGOSULOPNHJQIL-NWDGAFQWSA-N 0 1 321.377 2.151 20 5 DEBDMN O=[N+]([O-])c1ccccc1CNC[C@H](O)COc1ccc(F)cc1 ZINC000065668083 184376658 /nfs/dbraw/zinc/37/66/58/184376658.db2.gz NOGSYXFQCIEITN-AWEZNQCLSA-N 0 1 320.320 2.263 20 5 DEBDMN COc1cc(CN(C)CC(C)(C)OC)c([N+](=O)[O-])cc1OC ZINC000538828246 285058462 /nfs/dbraw/zinc/05/84/62/285058462.db2.gz RZJNTXGXXZLCLD-UHFFFAOYSA-N 0 1 312.366 2.469 20 5 DEBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cnccc1N ZINC000422714770 533223171 /nfs/dbraw/zinc/22/31/71/533223171.db2.gz LKZQKKJIGBOMDW-SNVBAGLBSA-N 0 1 302.334 2.262 20 5 DEBDMN CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H]1C ZINC000436984389 285394710 /nfs/dbraw/zinc/39/47/10/285394710.db2.gz AWIIABYMWSUARL-RYUDHWBXSA-N 0 1 321.377 2.245 20 5 DEBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCC(F)(F)F)C2)nc1 ZINC000355889057 133054085 /nfs/dbraw/zinc/05/40/85/133054085.db2.gz JUBYAFRWPMLZDW-SECBINFHSA-N 0 1 304.272 2.428 20 5 DEBDMN C[C@@H](NC[C@H]1CN(C2CC2)CCO1)c1ccccc1[N+](=O)[O-] ZINC000358154944 133124489 /nfs/dbraw/zinc/12/44/89/133124489.db2.gz INPBEDCZKQIWEO-OCCSQVGLSA-N 0 1 305.378 2.109 20 5 DEBDMN C[C@H](NCc1c([N+](=O)[O-])ncn1C)[C@@H]1OCCc2sccc21 ZINC000368355533 133270396 /nfs/dbraw/zinc/27/03/96/133270396.db2.gz PWSHYXVEATXHHP-ZANVPECISA-N 0 1 322.390 2.182 20 5 DEBDMN C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000263115911 145326760 /nfs/dbraw/zinc/32/67/60/145326760.db2.gz CAAVBEPFHWJKHJ-BXUZGUMPSA-N 0 1 308.334 2.016 20 5 DEBDMN COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000318330142 145367706 /nfs/dbraw/zinc/36/77/06/145367706.db2.gz RHDMYMQDOMQQGT-UHFFFAOYSA-N 0 1 324.314 2.110 20 5 DEBDMN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H](C)C1 ZINC000346190341 146034547 /nfs/dbraw/zinc/03/45/47/146034547.db2.gz OQLPHWKSJCPSII-SDDRHHMPSA-N 0 1 323.418 2.459 20 5 DEBDMN Cc1cc(Cc2nc(Cc3cccc([N+](=O)[O-])c3C)no2)[nH]n1 ZINC000357307678 147084258 /nfs/dbraw/zinc/08/42/58/147084258.db2.gz VHMKEHKLTREDJT-UHFFFAOYSA-N 0 1 313.317 2.499 20 5 DEBDMN C[C@@H](CC(=O)c1ccco1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357373237 147095700 /nfs/dbraw/zinc/09/57/00/147095700.db2.gz JORJOAZRAGTJLM-VIFPVBQESA-N 0 1 318.285 2.285 20 5 DEBDMN COc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1O ZINC000359086666 147259407 /nfs/dbraw/zinc/25/94/07/147259407.db2.gz LSNXUMTXKPPKSZ-UHFFFAOYSA-N 0 1 304.258 2.267 20 5 DEBDMN C[C@H](CC1CC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000112707865 401755443 /nfs/dbraw/zinc/75/54/43/401755443.db2.gz PUCHMVLSCPPFBD-MRVPVSSYSA-N 0 1 302.327 2.201 20 5 DEBDMN Cc1ccc(CN2CCC(C3OCCO3)CC2)cc1[N+](=O)[O-] ZINC000130069452 401817589 /nfs/dbraw/zinc/81/75/89/401817589.db2.gz YWWJXIJIONCERN-UHFFFAOYSA-N 0 1 306.362 2.488 20 5 DEBDMN CCN1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089883432 401969856 /nfs/dbraw/zinc/96/98/56/401969856.db2.gz CDIXQJOZPXOVHD-UHFFFAOYSA-N 0 1 316.361 2.387 20 5 DEBDMN CNC(=O)CC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093587838 402016640 /nfs/dbraw/zinc/01/66/40/402016640.db2.gz BUTWVBVWPUAPKG-GQCTYLIASA-N 0 1 317.389 2.456 20 5 DEBDMN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000121251597 402023680 /nfs/dbraw/zinc/02/36/80/402023680.db2.gz YQOJMJUTWPQXBN-QMMMGPOBSA-N 0 1 324.724 2.169 20 5 DEBDMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000097667630 402129170 /nfs/dbraw/zinc/12/91/70/402129170.db2.gz SFIBRLTYWMQKPO-VXGBXAGGSA-N 0 1 321.377 2.151 20 5 DEBDMN CC[C@H](SC)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000153454118 402146531 /nfs/dbraw/zinc/14/65/31/402146531.db2.gz PGIXRPAHMJQZRK-JTQLQIEISA-N 0 1 321.362 2.460 20 5 DEBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccnc2)c1C ZINC000070825867 402265272 /nfs/dbraw/zinc/26/52/72/402265272.db2.gz CFWGFWBVJHNZFJ-UHFFFAOYSA-N 0 1 307.331 2.407 20 5 DEBDMN CC(C)COC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000108992574 402265936 /nfs/dbraw/zinc/26/59/36/402265936.db2.gz OXINXEDXYNVKON-CHWSQXEVSA-N 0 1 321.333 2.495 20 5 DEBDMN CCc1nnc(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000184869062 402305620 /nfs/dbraw/zinc/30/56/20/402305620.db2.gz YQIBEDNNSKIYRE-NSHDSACASA-N 0 1 317.349 2.483 20 5 DEBDMN CCc1n[nH]c(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000184869062 402305622 /nfs/dbraw/zinc/30/56/22/402305622.db2.gz YQIBEDNNSKIYRE-NSHDSACASA-N 0 1 317.349 2.483 20 5 DEBDMN CCO[C@@H]1C[C@@H](N(C)C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1(C)C ZINC000185716390 402371578 /nfs/dbraw/zinc/37/15/78/402371578.db2.gz YVYQLHZMAYJVLD-GHMZBOCLSA-N 0 1 324.381 2.156 20 5 DEBDMN Cc1cc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000161344592 402384097 /nfs/dbraw/zinc/38/40/97/402384097.db2.gz CWIQJOFRRVZHRM-QMMMGPOBSA-N 0 1 306.297 2.126 20 5 DEBDMN O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000163766028 402457015 /nfs/dbraw/zinc/45/70/15/402457015.db2.gz BZEWAXGONGKRRJ-VHSXEESVSA-N 0 1 306.709 2.257 20 5 DEBDMN CC[C@]1(CO)CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000189646974 402549923 /nfs/dbraw/zinc/54/99/23/402549923.db2.gz FMCGQPKPACEAMV-MRXNPFEDSA-N 0 1 321.377 2.079 20 5 DEBDMN Cc1cc(C[C@@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000178699946 402528042 /nfs/dbraw/zinc/52/80/42/402528042.db2.gz ZPLLQVUYDCPIBY-SNVBAGLBSA-N 0 1 317.349 2.057 20 5 DEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]1C[C@H](C)O ZINC000246621007 402538539 /nfs/dbraw/zinc/53/85/39/402538539.db2.gz IMFRXCOXGVPXLF-STQMWFEESA-N 0 1 321.377 2.077 20 5 DEBDMN C[C@H]1CC[C@@H](CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000190308072 402591959 /nfs/dbraw/zinc/59/19/59/402591959.db2.gz DONSGWUTVXSQAW-BBRMVZONSA-N 0 1 305.378 2.284 20 5 DEBDMN CCCO[C@H]1CCCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])CC1 ZINC000171825651 402626028 /nfs/dbraw/zinc/62/60/28/402626028.db2.gz WSCLCPJLMCNYDB-NSHDSACASA-N 0 1 324.381 2.302 20 5 DEBDMN C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCS1 ZINC000192182915 402715533 /nfs/dbraw/zinc/71/55/33/402715533.db2.gz KYPVTYFPRMDJDW-SNVBAGLBSA-N 0 1 309.391 2.021 20 5 DEBDMN C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCS1 ZINC000192182915 402715535 /nfs/dbraw/zinc/71/55/35/402715535.db2.gz KYPVTYFPRMDJDW-SNVBAGLBSA-N 0 1 309.391 2.021 20 5 DEBDMN CCc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000173471242 402698806 /nfs/dbraw/zinc/69/88/06/402698806.db2.gz WDXRLFGJJLHTCY-AWEZNQCLSA-N 0 1 305.378 2.323 20 5 DEBDMN COc1cc(CN2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])cc1F ZINC000184269626 402831529 /nfs/dbraw/zinc/83/15/29/402831529.db2.gz HHFRSNMAUQETTO-CMPLNLGQSA-N 0 1 312.341 2.478 20 5 DEBDMN Cc1c(CN2CCC(N3CCCC3=O)CC2)cccc1[N+](=O)[O-] ZINC000264204187 402857487 /nfs/dbraw/zinc/85/74/87/402857487.db2.gz QMARGTVTQYTMHX-UHFFFAOYSA-N 0 1 317.389 2.490 20 5 DEBDMN Cc1[nH]nc(C(=O)N2CCCc3ccccc3C2)c1[N+](=O)[O-] ZINC000264441404 402878704 /nfs/dbraw/zinc/87/87/04/402878704.db2.gz QFZIAJDXQLDNPH-UHFFFAOYSA-N 0 1 300.318 2.215 20 5 DEBDMN CCCc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n(C)n1 ZINC000272493232 402944116 /nfs/dbraw/zinc/94/41/16/402944116.db2.gz CNHQZSGNOGVGGT-UHFFFAOYSA-N 0 1 304.306 2.239 20 5 DEBDMN C[C@@H]1C[C@@H]1c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n[nH]1 ZINC000272508207 402945994 /nfs/dbraw/zinc/94/59/94/402945994.db2.gz JPNSWEQUYBQJRL-HQJQHLMTSA-N 0 1 302.290 2.399 20 5 DEBDMN C[C@@H](O)[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000272593913 402956898 /nfs/dbraw/zinc/95/68/98/402956898.db2.gz PTSBVULYFZBQCP-DGCLKSJQSA-N 0 1 317.345 2.453 20 5 DEBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000272400475 402932482 /nfs/dbraw/zinc/93/24/82/402932482.db2.gz BVDKLYWQRGOSGB-WDEREUQCSA-N 0 1 324.381 2.064 20 5 DEBDMN CN1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C2(CCCCC2)C1 ZINC000267473046 403039243 /nfs/dbraw/zinc/03/92/43/403039243.db2.gz TUBCZTOYJNNXMQ-UHFFFAOYSA-N 0 1 306.366 2.013 20 5 DEBDMN C[C@H](NCC1(S(C)(=O)=O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000280863107 403044610 /nfs/dbraw/zinc/04/46/10/403044610.db2.gz CIYBMWIFABPORE-NSHDSACASA-N 0 1 312.391 2.213 20 5 DEBDMN CO[C@]1(C)C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1(C)C ZINC000269259782 403125424 /nfs/dbraw/zinc/12/54/24/403125424.db2.gz ARVWEARDUXFISY-SWLSCSKDSA-N 0 1 308.334 2.234 20 5 DEBDMN C[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)NCCF ZINC000282858925 403162675 /nfs/dbraw/zinc/16/26/75/403162675.db2.gz UNLWVMTWBVVQHT-IINYFYTJSA-N 0 1 323.368 2.381 20 5 DEBDMN CC1(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000276039980 403141314 /nfs/dbraw/zinc/14/13/14/403141314.db2.gz VZOFGYWKRYVCAB-UHFFFAOYSA-N 0 1 308.334 2.330 20 5 DEBDMN C[C@@]1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000345472096 403346257 /nfs/dbraw/zinc/34/62/57/403346257.db2.gz HQLGFFVERDRIDR-HOCLYGCPSA-N 0 1 320.345 2.235 20 5 DEBDMN CC[C@@](C)(NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(N)=O ZINC000339042653 403333637 /nfs/dbraw/zinc/33/36/37/403333637.db2.gz ANZYWKRNFAIJQQ-GFCCVEGCSA-N 0 1 319.283 2.357 20 5 DEBDMN CC(C)(O)[C@@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331419711 403378710 /nfs/dbraw/zinc/37/87/10/403378710.db2.gz DSSBKDYNLQDTLZ-ZDUSSCGKSA-N 0 1 304.350 2.206 20 5 DEBDMN NC(=O)[C@@H]1CCCC[C@@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000285793060 403381849 /nfs/dbraw/zinc/38/18/49/403381849.db2.gz YAOCYOFRVIOFPE-RNCFNFMXSA-N 0 1 313.304 2.007 20 5 DEBDMN COc1ccc(CNc2nc(C)cc(N(C)C)n2)cc1[N+](=O)[O-] ZINC000298744923 403454346 /nfs/dbraw/zinc/45/43/46/403454346.db2.gz GUASPZMEZXUAKY-UHFFFAOYSA-N 0 1 317.349 2.380 20 5 DEBDMN CCN1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H](C)C1 ZINC000286293600 403492267 /nfs/dbraw/zinc/49/22/67/403492267.db2.gz IYYXRMVVFWIAAO-LLVKDONJSA-N 0 1 318.377 2.010 20 5 DEBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cccs1 ZINC000298868494 403476898 /nfs/dbraw/zinc/47/68/98/403476898.db2.gz JXSPNGGKBKMXBY-JTQLQIEISA-N 0 1 308.363 2.017 20 5 DEBDMN CCN1C[C@@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000345905109 403527356 /nfs/dbraw/zinc/52/73/56/403527356.db2.gz LEUULMNIWLKUHK-CHWSQXEVSA-N 0 1 319.405 2.387 20 5 DEBDMN CCN1C[C@@H](C)N(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000345905111 403527371 /nfs/dbraw/zinc/52/73/71/403527371.db2.gz LEUULMNIWLKUHK-QWHCGFSZSA-N 0 1 319.405 2.387 20 5 DEBDMN CCCc1[nH]nc(C(=O)N(C)CCC(F)(F)F)c1[N+](=O)[O-] ZINC000343202344 403494487 /nfs/dbraw/zinc/49/44/87/403494487.db2.gz OVTAZHQHBAZSCC-UHFFFAOYSA-N 0 1 308.260 2.295 20 5 DEBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCCOC1 ZINC000332369235 403562443 /nfs/dbraw/zinc/56/24/43/403562443.db2.gz RXUAQQNEXQGLIX-NSHDSACASA-N 0 1 304.350 2.330 20 5 DEBDMN COc1ccc(S(=O)(=O)Nc2cccnc2C)cc1[N+](=O)[O-] ZINC000343560470 403638190 /nfs/dbraw/zinc/63/81/90/403638190.db2.gz YSEUFHHPBDHSBM-UHFFFAOYSA-N 0 1 323.330 2.108 20 5 DEBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CC(N)=O)CC(C)C ZINC000347352386 403676704 /nfs/dbraw/zinc/67/67/04/403676704.db2.gz DBDZUZQONOQLDI-NTUHNPAUSA-N 0 1 305.378 2.441 20 5 DEBDMN COc1cc(NCc2n[nH]c(C3CC3)n2)c(F)cc1[N+](=O)[O-] ZINC000295045909 403741256 /nfs/dbraw/zinc/74/12/56/403741256.db2.gz XBZUCUKELDYBAK-UHFFFAOYSA-N 0 1 307.285 2.350 20 5 DEBDMN Cc1c(NC(=O)[C@@H](C)N(C)CC(C)(C)CO)cccc1[N+](=O)[O-] ZINC000295371500 403887445 /nfs/dbraw/zinc/88/74/45/403887445.db2.gz ZWDDTWDCNQXNLH-GFCCVEGCSA-N 0 1 323.393 2.181 20 5 DEBDMN CNc1c(C(=O)N2CCN(CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000336870813 403943339 /nfs/dbraw/zinc/94/33/39/403943339.db2.gz BUPLTVTVUQGEHO-UHFFFAOYSA-N 0 1 320.393 2.050 20 5 DEBDMN CC[C@H]1CO[C@@H](C)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000354697415 403955714 /nfs/dbraw/zinc/95/57/14/403955714.db2.gz XFSMUPPLVKIAEB-UWVGGRQHSA-N 0 1 318.333 2.111 20 5 DEBDMN O=C(c1ccc([N+](=O)[O-])s1)N1CCNC[C@@H]1c1ccccc1 ZINC000313384158 403984899 /nfs/dbraw/zinc/98/48/99/403984899.db2.gz QWACEGKIMPSQKX-GFCCVEGCSA-N 0 1 317.370 2.443 20 5 DEBDMN 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Cc1c(CNC(=O)c2conc2C(C)(C)N)cccc1[N+](=O)[O-] ZINC000579024905 356909845 /nfs/dbraw/zinc/90/98/45/356909845.db2.gz UQJLAZIRDUTVID-UHFFFAOYSA-N 0 1 318.333 2.015 20 5 DEBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](N2CCOCC2)C1 ZINC000579370110 356965568 /nfs/dbraw/zinc/96/55/68/356965568.db2.gz YDHXKRIWOMGIIG-HUUCEWRRSA-N 0 1 319.405 2.452 20 5 DEBDMN CCC(C)(C)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000312528298 535353479 /nfs/dbraw/zinc/35/34/79/535353479.db2.gz FSEKQSWKPWVKOI-UHFFFAOYSA-N 0 1 304.343 2.448 20 5 DEBDMN C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000449345982 283274131 /nfs/dbraw/zinc/27/41/31/283274131.db2.gz KUTFKOQLFIOERB-LBPRGKRZSA-N 0 1 305.378 2.217 20 5 DEBDMN O=[N+]([O-])c1cnc(N2CCc3cn[nH]c3C2)c(C(F)(F)F)c1 ZINC000591151003 357681375 /nfs/dbraw/zinc/68/13/75/357681375.db2.gz PCLUOWTVEMNWOW-UHFFFAOYSA-N 0 1 313.239 2.294 20 5 DEBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000592397110 357872997 /nfs/dbraw/zinc/87/29/97/357872997.db2.gz YAGWKNRBHDCZNF-NWDGAFQWSA-N 0 1 308.334 2.159 20 5 DEBDMN CC[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000593062588 357999136 /nfs/dbraw/zinc/99/91/36/357999136.db2.gz OHWJJLDYFPWADX-WFASDCNBSA-N 0 1 321.377 2.423 20 5 DEBDMN COc1ccc(CN2CCC([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000593085271 358004953 /nfs/dbraw/zinc/00/49/53/358004953.db2.gz SXOQEMKNSRJNFQ-LBPRGKRZSA-N 0 1 308.378 2.444 20 5 DEBDMN CCc1nncn1CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595026490 358380426 /nfs/dbraw/zinc/38/04/26/358380426.db2.gz OKHUMUJCECBRAR-LLVKDONJSA-N 0 1 319.365 2.108 20 5 DEBDMN CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)C(=O)[O-] ZINC000595882426 358571537 /nfs/dbraw/zinc/57/15/37/358571537.db2.gz KCOGKMLFAGUCIW-NSHDSACASA-N 0 1 323.349 2.027 20 5 DEBDMN CC(C)(C)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000595886519 358572380 /nfs/dbraw/zinc/57/23/80/358572380.db2.gz ONKDVYJNPBELJT-UHFFFAOYSA-N 0 1 310.350 2.406 20 5 DEBDMN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000595901079 358575553 /nfs/dbraw/zinc/57/55/53/358575553.db2.gz CERMCRDMQGUSPS-KTJYFRGRSA-N 0 1 322.336 2.411 20 5 DEBDMN CN(CC1=CCSC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598515266 359226721 /nfs/dbraw/zinc/22/67/21/359226721.db2.gz VTRFQRUAZJHJFY-UHFFFAOYSA-N 0 1 318.358 2.216 20 5 DEBDMN COc1cc(CN2CC[C@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000598676465 359286407 /nfs/dbraw/zinc/28/64/07/359286407.db2.gz IJZHQMSBGKIPEC-AAEUAGOBSA-N 0 1 324.377 2.062 20 5 DEBDMN COC(=O)CCCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000599263472 359443499 /nfs/dbraw/zinc/44/34/99/359443499.db2.gz PLVJBGBTSGVVKA-UHFFFAOYSA-N 0 1 321.377 2.060 20 5 DEBDMN CC(C)c1ccc(CN(C)[C@@]2(CO)CCOC2)cc1[N+](=O)[O-] ZINC000600178236 359678118 /nfs/dbraw/zinc/67/81/18/359678118.db2.gz IMMQVQZDFFCBAB-MRXNPFEDSA-N 0 1 308.378 2.301 20 5 DEBDMN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000516785305 283523272 /nfs/dbraw/zinc/52/32/72/283523272.db2.gz WASUKDORQMODDU-ZWNOBZJWSA-N 0 1 305.378 2.475 20 5 DEBDMN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCN1C1CCCC1 ZINC000602107465 360266996 /nfs/dbraw/zinc/26/69/96/360266996.db2.gz FRDMDUQMISJTRJ-MRXNPFEDSA-N 0 1 317.389 2.270 20 5 DEBDMN CCc1ccc(C(=O)N2CCNC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000602528516 360419048 /nfs/dbraw/zinc/41/90/48/360419048.db2.gz NKHINMCMEOJMPK-OAHLLOKOSA-N 0 1 305.378 2.227 20 5 DEBDMN O=[N+]([O-])c1cccnc1N1CCN(CC2CCSCC2)CC1 ZINC000602688506 360499289 /nfs/dbraw/zinc/49/92/89/360499289.db2.gz SIRZJSZWEKONJR-UHFFFAOYSA-N 0 1 322.434 2.255 20 5 DEBDMN O=[N+]([O-])c1sc(CN[C@H]2C[C@@H](O)C2)cc1Br ZINC000602679792 360495240 /nfs/dbraw/zinc/49/52/40/360495240.db2.gz ANGBFAOAXLXKEO-OLQVQODUSA-N 0 1 307.169 2.032 20 5 DEBDMN C[C@H](C[S@@](C)=O)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602611682 360456399 /nfs/dbraw/zinc/45/63/99/360456399.db2.gz YOMVCKGXGFPYHZ-IJSAXESFSA-N 0 1 324.324 2.470 20 5 DEBDMN CC[C@@H](C)[C@H](CN1CCN(c2ncccc2[N+](=O)[O-])CC1)OC ZINC000602686210 360498381 /nfs/dbraw/zinc/49/83/81/360498381.db2.gz CMMOYKXABIYWEX-HIFRSBDPSA-N 0 1 322.409 2.173 20 5 DEBDMN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])[N@H+]1CCC[C@H](C)C1 ZINC000443969393 238133284 /nfs/dbraw/zinc/13/32/84/238133284.db2.gz YIJPHAURQKFGHB-NWDGAFQWSA-N 0 1 321.377 2.151 20 5 DEBDMN CN(Cc1nnc[nH]1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001120453474 781940651 /nfs/dbraw/zinc/94/06/51/781940651.db2.gz AFZHODXXTFFHMR-UHFFFAOYSA-N 0 1 301.228 2.368 20 5 DEBDMN C[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000611297277 361574963 /nfs/dbraw/zinc/57/49/63/361574963.db2.gz XFXPLWAFNNWXNY-VIFPVBQESA-N 0 1 301.293 2.337 20 5 DEBDMN C[C@H]1CC[C@@H](C(F)(F)F)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000611554507 361630157 /nfs/dbraw/zinc/63/01/57/361630157.db2.gz SICCCNXOAZNZQN-VHSXEESVSA-N 0 1 306.288 2.454 20 5 DEBDMN CCN1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611824588 361690339 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C[C@@H]1[C@@H](C)N(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000492383888 249052670 /nfs/dbraw/zinc/05/26/70/249052670.db2.gz MHQYECFMSJYCIE-LWSHCTJVSA-N 0 1 321.352 2.298 20 5 DEBDMN Cc1nc([C@@H](C)NC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000492918393 249172701 /nfs/dbraw/zinc/17/27/01/249172701.db2.gz FKHXESUEOCJZAP-YZCDNWJKSA-N 0 1 319.296 2.051 20 5 DEBDMN CC[C@H]1CN(C)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492976380 249185948 /nfs/dbraw/zinc/18/59/48/249185948.db2.gz XVGSLIFYLZKLIH-CKXPSTMWSA-N 0 1 303.362 2.161 20 5 DEBDMN CCC[C@@H]1CNCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493729444 249377993 /nfs/dbraw/zinc/37/79/93/249377993.db2.gz ULXDLADTVMVGSE-WUKHSURWSA-N 0 1 303.362 2.209 20 5 DEBDMN Cc1ccc([C@H](C)NC(=O)c2coc(CN)c2)cc1[N+](=O)[O-] ZINC000188003227 207369778 /nfs/dbraw/zinc/36/97/78/207369778.db2.gz TZBSOBDFXJEVFA-JTQLQIEISA-N 0 1 303.318 2.446 20 5 DEBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCC[C@@H]1O ZINC000270222635 208288594 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Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC=C(C)CC1 ZINC000355519782 133031276 /nfs/dbraw/zinc/03/12/76/133031276.db2.gz JQVXREVJPHWZPC-UHFFFAOYSA-N 0 1 303.362 2.285 20 5 DEBDMN C[C@@H](C(=O)NCCN1CC=CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000357615274 133088478 /nfs/dbraw/zinc/08/84/78/133088478.db2.gz CUUOMADMURVBJX-GFCCVEGCSA-N 0 1 321.352 2.216 20 5 DEBDMN CC1=CCN(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000358150335 133124628 /nfs/dbraw/zinc/12/46/28/133124628.db2.gz ZWMALGGKQJCJKZ-UHFFFAOYSA-N 0 1 304.350 2.368 20 5 DEBDMN CC(C)[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000565036344 292128890 /nfs/dbraw/zinc/12/88/90/292128890.db2.gz QPNGTNSQRIZAFT-AWEZNQCLSA-N 0 1 307.350 2.069 20 5 DEBDMN Nc1cccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000261672438 145215709 /nfs/dbraw/zinc/21/57/09/145215709.db2.gz KQOUQIHOHWREEO-UHFFFAOYSA-N 0 1 312.373 2.499 20 5 DEBDMN CC1(C)C[C@@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000312514182 145354896 /nfs/dbraw/zinc/35/48/96/145354896.db2.gz 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CC(C)(C)[C@H](COc1ccccc1F)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839680732 639805319 /nfs/dbraw/zinc/80/53/19/639805319.db2.gz QNTGLSYFYKJCDI-QKCSRTOESA-N 0 1 324.352 2.401 20 5 DEBDMN O=C(O[C@@H]([C@@H]1CCCO1)C(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000757552504 639849424 /nfs/dbraw/zinc/84/94/24/639849424.db2.gz ASJBEAJISUJVEN-CBAPKCEASA-N 0 1 308.212 2.190 20 5 DEBDMN CCCN(Cn1nccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000740859086 640186579 /nfs/dbraw/zinc/18/65/79/640186579.db2.gz NCUXEWUGHXMABG-YUTCNCBUSA-N 0 1 308.382 2.274 20 5 DEBDMN Cc1[nH]nc(C(=O)N(CCc2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC000729349014 640490095 /nfs/dbraw/zinc/49/00/95/640490095.db2.gz CUFFLPKJIYJQSG-UHFFFAOYSA-N 0 1 314.345 2.474 20 5 DEBDMN O=C(N[C@H]1CCc2nc[nH]c2C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000764892467 640710091 /nfs/dbraw/zinc/71/00/91/640710091.db2.gz GWWCJSVRHAQKJC-QMMMGPOBSA-N 0 1 320.736 2.259 20 5 DEBDMN C[C@]1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCNC1=O ZINC000897873113 640959356 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AVXBSPQKUIIHIC-UHFFFAOYSA-N 0 1 324.300 2.131 20 5 DEBDMN CCN1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000612485480 361840621 /nfs/dbraw/zinc/84/06/21/361840621.db2.gz SZQPIISCYFTWPF-NWDGAFQWSA-N 0 1 323.368 2.390 20 5 DEBDMN Cc1cc(NCC(=O)NC(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000272804272 210206165 /nfs/dbraw/zinc/20/61/65/210206165.db2.gz FMOOMDGIWATJKV-UHFFFAOYSA-N 0 1 302.334 2.388 20 5 DEBDMN CC[C@]1(CO)CCCN1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000189607390 282313998 /nfs/dbraw/zinc/31/39/98/282313998.db2.gz KFLVUNZJLFXUNF-OAHLLOKOSA-N 0 1 312.341 2.479 20 5 DEBDMN Cc1cc(C(=O)N2CCN(CC(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000147303425 186039019 /nfs/dbraw/zinc/03/90/19/186039019.db2.gz WZGCQUXCQIAOLK-UHFFFAOYSA-N 0 1 305.378 2.317 20 5 DEBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC1CCOCC1 ZINC000155729979 186107704 /nfs/dbraw/zinc/10/77/04/186107704.db2.gz JWGXSXQTBQITBQ-UHFFFAOYSA-N 0 1 321.377 2.200 20 5 DEBDMN CC[C@@H](C)CN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000171949064 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O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCC[C@H](F)C1 ZINC000581545929 357205002 /nfs/dbraw/zinc/20/50/02/357205002.db2.gz KYVKSCUZLFPBQD-DTWKUNHWSA-N 0 1 320.317 2.293 20 5 DEBDMN CC[C@H]1CN(C)CCN1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000590913241 357642342 /nfs/dbraw/zinc/64/23/42/357642342.db2.gz MECVJRCSQOUPIV-OCCSQVGLSA-N 0 1 320.393 2.391 20 5 DEBDMN CCOc1ccc(-c2nc([C@H]3CCCN3)no2)cc1[N+](=O)[O-] ZINC000592356697 357865260 /nfs/dbraw/zinc/86/52/60/357865260.db2.gz FUYDLIHDZVGRJM-SNVBAGLBSA-N 0 1 304.306 2.468 20 5 DEBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC([C@@H](C)CO)CC1 ZINC000593080757 358003785 /nfs/dbraw/zinc/00/37/85/358003785.db2.gz DFLRCFVIWZASKX-LBPRGKRZSA-N 0 1 308.378 2.444 20 5 DEBDMN C[C@@H]1[C@H](C)N(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000593188348 358030435 /nfs/dbraw/zinc/03/04/35/358030435.db2.gz DIQHAGYGBHGXKX-MJBXVCDLSA-N 0 1 319.405 2.467 20 5 DEBDMN C[C@@H]1[C@H](C)N(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000593188348 358030436 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DEBDMN O=[N+]([O-])c1cnc(NCCN2CC=CC2)c(C(F)(F)F)c1 ZINC001328640459 1147574348 /nfs/dbraw/zinc/57/43/48/1147574348.db2.gz DZWZUZIUXWUOPA-UHFFFAOYSA-N 0 1 302.256 2.292 20 5 DEBDMN CCCc1n[nH]cc1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC001325444958 1147912779 /nfs/dbraw/zinc/91/27/79/1147912779.db2.gz FNCAUUAJHYORJQ-UHFFFAOYSA-N 0 1 305.290 2.333 20 5 DEBDMN C[C@@H](N[C@@H](C)C(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000079309461 185164172 /nfs/dbraw/zinc/16/41/72/185164172.db2.gz IXEKHZXWTNIWDT-BDAKNGLRSA-N 0 1 319.283 2.312 20 5 DEBDMN CCc1nc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000297599554 529739107 /nfs/dbraw/zinc/73/91/07/529739107.db2.gz ZAJZSXLSAACFTL-UHFFFAOYSA-N 0 1 324.728 2.250 20 5 DEBDMN C[C@@H]1OCC[C@]12CN(CCc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000279676005 215054102 /nfs/dbraw/zinc/05/41/02/215054102.db2.gz DWDAGYPIVJRYKT-KEYYUXOJSA-N 0 1 320.389 2.406 20 5 DEBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CC=CCC1 ZINC000123765866 185840017 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COCc1nnc(CNc2ccc3ncccc3c2[N+](=O)[O-])[nH]1 ZINC001307159951 1147401737 /nfs/dbraw/zinc/40/17/37/1147401737.db2.gz AVOIDIWCCMZMPG-UHFFFAOYSA-N 0 1 314.305 2.020 20 5 DEBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC001307423147 1147426082 /nfs/dbraw/zinc/42/60/82/1147426082.db2.gz XSTOQPZFTVJQIR-LBPRGKRZSA-N 0 1 314.345 2.470 20 5 DEBDMN CC[C@@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@H](CC)O1 ZINC000421989721 529383643 /nfs/dbraw/zinc/38/36/43/529383643.db2.gz WGUJFSYFCZZDDR-PHIMTYICSA-N 0 1 324.381 2.471 20 5 DEBDMN Cc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(=O)n1C ZINC000278696596 214334858 /nfs/dbraw/zinc/33/48/58/214334858.db2.gz JIERKQPLHLETPL-LBPRGKRZSA-N 0 1 301.346 2.453 20 5 DEBDMN Cc1ccc([C@H](C)N[C@@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000090180970 185285561 /nfs/dbraw/zinc/28/55/61/185285561.db2.gz MXJIJAHONNCLBP-WCQYABFASA-N 0 1 303.362 2.317 20 5 DEBDMN O=C(NCC[C@H]1CCCCO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000181374823 199286783 /nfs/dbraw/zinc/28/67/83/199286783.db2.gz KKWHLDDRRRIILC-LLVKDONJSA-N 0 1 318.333 2.160 20 5 DEBDMN Cc1ccc(CN(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)nc1 ZINC000616171765 362786803 /nfs/dbraw/zinc/78/68/03/362786803.db2.gz AOVQURHPLFLWRW-UHFFFAOYSA-N 0 1 301.302 2.276 20 5 DEBDMN CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272608906 210010246 /nfs/dbraw/zinc/01/02/46/210010246.db2.gz YVHDWLJFHHBFHY-GFCCVEGCSA-N 0 1 321.377 2.104 20 5 DEBDMN C[C@@H]1CO[C@@H](C)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331356932 233160177 /nfs/dbraw/zinc/16/01/77/233160177.db2.gz SOHZWHKOPXQLJL-NEPJUHHUSA-N 0 1 307.350 2.033 20 5 DEBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000264255755 186329534 /nfs/dbraw/zinc/32/95/34/186329534.db2.gz LNIZQVLFUUNYJH-LLVKDONJSA-N 0 1 318.308 2.395 20 5 DEBDMN O=c1[nH]nc([C@H]2CCCN(Cc3csc([N+](=O)[O-])c3)C2)o1 ZINC000331755573 234085995 /nfs/dbraw/zinc/08/59/95/234085995.db2.gz AHZWGCVMOQMVMS-VIFPVBQESA-N 0 1 310.335 2.125 20 5 DEBDMN Cc1c(CN2CCN(CCOC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000173165298 198191189 /nfs/dbraw/zinc/19/11/89/198191189.db2.gz FDNLOYIPXCZLNQ-UHFFFAOYSA-N 0 1 321.421 2.446 20 5 DEBDMN CC(C)OCCN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173169919 198191844 /nfs/dbraw/zinc/19/18/44/198191844.db2.gz DCGYLDLYZKVETJ-UHFFFAOYSA-N 0 1 321.421 2.180 20 5 DEBDMN COc1ccc(NC(=O)[C@@H](C)N(C)CC2CC2)c([N+](=O)[O-])c1 ZINC000053184610 354425949 /nfs/dbraw/zinc/42/59/49/354425949.db2.gz JXCHBDGKAVEHLX-SNVBAGLBSA-N 0 1 307.350 2.272 20 5 DEBDMN Cc1cc(C(=O)N2CCN(CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000055668845 354505973 /nfs/dbraw/zinc/50/59/73/354505973.db2.gz LVCRTTJTYMXFMF-UHFFFAOYSA-N 0 1 303.362 2.071 20 5 DEBDMN CC(C)[C@@H]1CN(C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000078022648 355241000 /nfs/dbraw/zinc/24/10/00/355241000.db2.gz RPYFMQBQTFITBI-JTQLQIEISA-N 0 1 309.395 2.080 20 5 DEBDMN Cc1cnc(NCCCN2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000078628520 355271617 /nfs/dbraw/zinc/27/16/17/355271617.db2.gz PVEFHQHZTYUUBJ-CHWSQXEVSA-N 0 1 308.382 2.209 20 5 DEBDMN CCOc1cc(N2CCC(c3nc[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000081036982 355404049 /nfs/dbraw/zinc/40/40/49/355404049.db2.gz OPEWYKKGSVSGTH-UHFFFAOYSA-N 0 1 317.349 2.496 20 5 DEBDMN Cc1[nH]nc(C(=O)N2CCC(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000081313244 355419218 /nfs/dbraw/zinc/41/92/18/355419218.db2.gz KOAHPTUJGPVLFP-UHFFFAOYSA-N 0 1 306.244 2.041 20 5 DEBDMN COc1cc(CN2CCC[C@H](CCO)C2)c([N+](=O)[O-])cc1OC ZINC000093106440 355666966 /nfs/dbraw/zinc/66/69/66/355666966.db2.gz MJWPGCQDYWTVIZ-GFCCVEGCSA-N 0 1 324.377 2.206 20 5 DEBDMN Cc1cnc([C@@H](NCCn2cc([N+](=O)[O-])cn2)C2CC2)s1 ZINC000185305679 356205490 /nfs/dbraw/zinc/20/54/90/356205490.db2.gz QCCDDSARXXGAGA-LBPRGKRZSA-N 0 1 307.379 2.297 20 5 DEBDMN O=C(CCc1cnc[nH]1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000281348682 356366553 /nfs/dbraw/zinc/36/65/53/356366553.db2.gz WPQOMYXORGVUHX-UHFFFAOYSA-N 0 1 322.752 2.263 20 5 DEBDMN CCc1nc([C@H](C)NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000578953983 356894879 /nfs/dbraw/zinc/89/48/79/356894879.db2.gz OBXKKYBCSCTFMO-ZJUUUORDSA-N 0 1 317.349 2.256 20 5 DEBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000581175494 357142501 /nfs/dbraw/zinc/14/25/01/357142501.db2.gz DOKGUAURADUNQI-ZAQLIGFBSA-N 0 1 318.377 2.389 20 5 DEBDMN CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)[O-] ZINC000581889579 357263513 /nfs/dbraw/zinc/26/35/13/357263513.db2.gz CAZMHLHRUJJWCL-UHFFFAOYSA-N 0 1 319.317 2.199 20 5 DEBDMN COC[C@H]1CCCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589497868 357475976 /nfs/dbraw/zinc/47/59/76/357475976.db2.gz DXJZDURLIHHWKS-LBPRGKRZSA-N 0 1 322.361 2.240 20 5 DEBDMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000590797887 357614033 /nfs/dbraw/zinc/61/40/33/357614033.db2.gz SKYFVUSPJLVNTI-GFCCVEGCSA-N 0 1 306.366 2.461 20 5 DEBDMN CO[C@@H](CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000592350245 357864515 /nfs/dbraw/zinc/86/45/15/357864515.db2.gz BPYASIRDRHMBOA-LBPRGKRZSA-N 0 1 302.352 2.008 20 5 DEBDMN COc1cccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000593189001 358030260 /nfs/dbraw/zinc/03/02/60/358030260.db2.gz GMDVZOMJKIDIPL-IJLUTSLNSA-N 0 1 321.377 2.157 20 5 DEBDMN COc1cccc(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000593189001 358030262 /nfs/dbraw/zinc/03/02/62/358030262.db2.gz GMDVZOMJKIDIPL-IJLUTSLNSA-N 0 1 321.377 2.157 20 5 DEBDMN C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000593188218 358030336 /nfs/dbraw/zinc/03/03/36/358030336.db2.gz YYFZCPMTLWWWIS-UPJWGTAASA-N 0 1 305.378 2.077 20 5 DEBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000593188218 358030337 /nfs/dbraw/zinc/03/03/37/358030337.db2.gz YYFZCPMTLWWWIS-UPJWGTAASA-N 0 1 305.378 2.077 20 5 DEBDMN C[C@@H](CCO)N(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000593694737 358125284 /nfs/dbraw/zinc/12/52/84/358125284.db2.gz RAWDHHRVWMCCDO-VIFPVBQESA-N 0 1 304.293 2.399 20 5 DEBDMN Cc1[nH]ncc1CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593893089 358167294 /nfs/dbraw/zinc/16/72/94/358167294.db2.gz MXBPEUUSSGCIMP-UHFFFAOYSA-N 0 1 320.324 2.057 20 5 DEBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000180700801 199199010 /nfs/dbraw/zinc/19/90/10/199199010.db2.gz RHBJPOUZGFTBEW-VIFPVBQESA-N 0 1 304.310 2.212 20 5 DEBDMN COC(=O)CC1(NCc2onc(C)c2[N+](=O)[O-])CCCCC1 ZINC000595380941 358436204 /nfs/dbraw/zinc/43/62/04/358436204.db2.gz UAMWRSNBXBYQBV-UHFFFAOYSA-N 0 1 311.338 2.247 20 5 DEBDMN CC(C)(C)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)[O-] ZINC000595886096 358572175 /nfs/dbraw/zinc/57/21/75/358572175.db2.gz MILZYJINOBMIOM-UHFFFAOYSA-N 0 1 310.350 2.406 20 5 DEBDMN CN1Cc2ccccc2[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596174806 358630535 /nfs/dbraw/zinc/63/05/35/358630535.db2.gz ISLFOBRHQWEHJL-CYBMUJFWSA-N 0 1 300.318 2.294 20 5 DEBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC(N2CCOCC2)CC1 ZINC000599474367 359505964 /nfs/dbraw/zinc/50/59/64/359505964.db2.gz PYOVOVFCVJKVHF-UHFFFAOYSA-N 0 1 323.368 2.031 20 5 DEBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(-n2cnnn2)cc1 ZINC000089511982 192806190 /nfs/dbraw/zinc/80/61/90/192806190.db2.gz ZUIARSSODICNDD-LBPRGKRZSA-N 0 1 324.344 2.421 20 5 DEBDMN C[C@H](c1ccccc1)[C@H](NCc1ccccc1[N+](=O)[O-])C(N)=O ZINC000428849582 237263134 /nfs/dbraw/zinc/26/31/34/237263134.db2.gz KWQNOFHKZDVURD-WBMJQRKESA-N 0 1 313.357 2.342 20 5 DEBDMN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])[N@H+]1CCC[C@H](C)C1 ZINC000436955243 237788677 /nfs/dbraw/zinc/78/86/77/237788677.db2.gz JUJMPWGOQICDLW-RYUDHWBXSA-N 0 1 321.377 2.151 20 5 DEBDMN CSC1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000601693410 360117274 /nfs/dbraw/zinc/11/72/74/360117274.db2.gz JZZVPWKWVDWSAV-UHFFFAOYSA-N 0 1 312.395 2.409 20 5 DEBDMN CSc1ccc(C(=O)N2CCNC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000602527809 360418728 /nfs/dbraw/zinc/41/87/28/360418728.db2.gz LWGKMHMABNUVIO-ZDUSSCGKSA-N 0 1 323.418 2.387 20 5 DEBDMN CNC(=O)C[C@@H](C)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602683799 360497220 /nfs/dbraw/zinc/49/72/20/360497220.db2.gz LPZWJVCJRBYKGM-MRVPVSSYSA-N 0 1 319.283 2.228 20 5 DEBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc3c2CCO3)c1 ZINC000442238467 238042800 /nfs/dbraw/zinc/04/28/00/238042800.db2.gz ALSNIDIUDPEAIE-UHFFFAOYSA-N 0 1 320.326 2.331 20 5 DEBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000602839709 360583979 /nfs/dbraw/zinc/58/39/79/360583979.db2.gz XDWLLHXHCKCGNB-UKRRQHHQSA-N 0 1 320.393 2.133 20 5 DEBDMN CCn1cc(CN(CCn2c(C)ncc2[N+](=O)[O-])C(C)C)cn1 ZINC000602861644 360596737 /nfs/dbraw/zinc/59/67/37/360596737.db2.gz CTYFCDHQRDNZDL-UHFFFAOYSA-N 0 1 320.397 2.227 20 5 DEBDMN C[C@H]1COCCN1C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000603401202 360817988 /nfs/dbraw/zinc/81/79/88/360817988.db2.gz JEWILRQBYHHWCP-NSHDSACASA-N 0 1 311.407 2.346 20 5 DEBDMN Cc1ccc(CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C2CC2)o1 ZINC000604547194 360916112 /nfs/dbraw/zinc/91/61/12/360916112.db2.gz OFUUQVMJZLOHDM-UHFFFAOYSA-N 0 1 304.306 2.333 20 5 DEBDMN CC1CCN(CC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000193571521 201076942 /nfs/dbraw/zinc/07/69/42/201076942.db2.gz ZIZLAQSOBYDQBS-UHFFFAOYSA-N 0 1 305.378 2.285 20 5 DEBDMN COC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193940505 201149568 /nfs/dbraw/zinc/14/95/68/201149568.db2.gz WZUVLYVDZMRGAO-LLVKDONJSA-N 0 1 309.322 2.361 20 5 DEBDMN CC(C)(C)CN(CCO)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611269631 361566539 /nfs/dbraw/zinc/56/65/39/361566539.db2.gz RYVYXENJCIFQDZ-UHFFFAOYSA-N 0 1 324.377 2.206 20 5 DEBDMN C[C@H]1[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN1C ZINC000611303628 361577188 /nfs/dbraw/zinc/57/71/88/361577188.db2.gz PMZDRGMBWHYWMR-QWRGUYRKSA-N 0 1 304.350 2.260 20 5 DEBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C(F)(F)F)CC[C@H]2C)c1[N+](=O)[O-] ZINC000611561864 361632354 /nfs/dbraw/zinc/63/23/54/361632354.db2.gz YMBZSEBYCXIEEQ-SVRRBLITSA-N 0 1 320.271 2.429 20 5 DEBDMN COc1cc(CN(C)C[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000093839959 193316735 /nfs/dbraw/zinc/31/67/35/193316735.db2.gz IKEBXOLGOGZLSQ-NSHDSACASA-N 0 1 310.350 2.080 20 5 DEBDMN COC(=O)[C@@H]1CC12CCN(Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000264997608 204331446 /nfs/dbraw/zinc/33/14/46/204331446.db2.gz CQSSRVMJUPHHOV-AWEZNQCLSA-N 0 1 304.346 2.370 20 5 DEBDMN C[C@H](CCOCc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000288290365 220065002 /nfs/dbraw/zinc/06/50/02/220065002.db2.gz QQWPLSOHXQTSRZ-LLVKDONJSA-N 0 1 318.333 2.043 20 5 DEBDMN C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159907345 197372383 /nfs/dbraw/zinc/37/23/83/197372383.db2.gz LMANZJOAPMGHEH-LBPRGKRZSA-N 0 1 321.377 2.295 20 5 DEBDMN O=C(NCCC[C@H]1CCOC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000456724857 247381170 /nfs/dbraw/zinc/38/11/70/247381170.db2.gz HKIREVZBNXYLAD-JTQLQIEISA-N 0 1 318.333 2.018 20 5 DEBDMN Cc1c(NC(=O)[C@@H](C)Sc2c[nH]nn2)cccc1[N+](=O)[O-] ZINC000268117685 206468586 /nfs/dbraw/zinc/46/85/86/206468586.db2.gz FCHLVWVHICAOFS-MRVPVSSYSA-N 0 1 307.335 2.141 20 5 DEBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000531976243 284634976 /nfs/dbraw/zinc/63/49/76/284634976.db2.gz ARWMHFRQZSVMBI-UHFFFAOYSA-N 0 1 320.393 2.024 20 5 DEBDMN CCN1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000493359222 249284005 /nfs/dbraw/zinc/28/40/05/249284005.db2.gz UXCUZABDNUWRRF-GWJCSSMESA-N 0 1 303.362 2.161 20 5 DEBDMN C[C@@]1(CO)CCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000493574011 249327470 /nfs/dbraw/zinc/32/74/70/249327470.db2.gz RLLQMPWCIOLJMI-HIFRSBDPSA-N 0 1 305.334 2.377 20 5 DEBDMN O=[N+]([O-])c1cc(CN(CCO)C2CC2)ccc1Br ZINC000159423770 197352120 /nfs/dbraw/zinc/35/21/20/197352120.db2.gz ADHRJPIJUOSCQP-UHFFFAOYSA-N 0 1 315.167 2.314 20 5 DEBDMN CCO[C@@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C12CCC2 ZINC000269197248 207315351 /nfs/dbraw/zinc/31/53/51/207315351.db2.gz QDVSSYBSMQSOSR-UONOGXRCSA-N 0 1 320.345 2.378 20 5 DEBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCC[C@H]1O ZINC000270222634 208288537 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LLTFWXSOFQNLOO-KGLIPLIRSA-N 0 1 323.368 2.078 20 5 DEBDMN CCOC(=O)[C@H](CC1CC1)NCc1cc(O)ccc1[N+](=O)[O-] ZINC000753573011 639315652 /nfs/dbraw/zinc/31/56/52/639315652.db2.gz XJQBHJNWJBYYNB-ZDUSSCGKSA-N 0 1 308.334 2.122 20 5 DEBDMN CCc1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1-c1cccc(C)c1 ZINC000839733404 639808247 /nfs/dbraw/zinc/80/82/47/639808247.db2.gz KDFCPPXHFGTTDX-IUODEOHRSA-N 0 1 314.345 2.347 20 5 DEBDMN COCCCCN(C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000841691952 650541528 /nfs/dbraw/zinc/54/15/28/650541528.db2.gz NTBGVXRVZJLOMO-UHFFFAOYSA-N 0 1 319.365 2.169 20 5 DEBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1n[nH]c(C)n1 ZINC000765609861 640800495 /nfs/dbraw/zinc/80/04/95/640800495.db2.gz MAIZQAMSWSTJDW-GFCCVEGCSA-N 0 1 318.333 2.333 20 5 DEBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1cnc2n1CCOC2 ZINC000898266943 641075997 /nfs/dbraw/zinc/07/59/97/641075997.db2.gz XVRAOMXHAPRIGS-CQSZACIVSA-N 0 1 314.345 2.099 20 5 DEBDMN Cc1ccccc1[C@H](O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 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