smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)[C@@H]1C2 73168557 QGBHXLYHBPGQEH-HYBUGGRVSA-N 458.474 4.777 5 1 JJBF CCCCOc1ccc(C[N+]2(C)[C@H]3CC[C@@H]2C[C@H](OC(=O)[C@H](CO)c2ccccc2)C3)cc1 100519375 ALVDDLOWVXJXCD-OTSXCXJCSA-N 452.615 4.825 5 1 JJBF in-man C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@H]1c1cccc([N+](=O)[O-])c1 103189574 SCQLIQIBCHUZKS-YYSFKGJASA-N 490.752 4.628 5 1 JJBF O=C1C[C@@H]2OCC=C3C[N@+]4(Cc5ccc6ccccc6c5)CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]64 253793516 XGFSECKOYNLTFU-YUMFPJFNSA-N 475.612 4.961 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)c(O)c(F)c3)c(C)c2c1 587619545 KEIAWZPKDFEEDX-UHFFFAOYSA-N 489.456 4.845 5 1 JJBF COc1cc(C(=O)c2cn(-c3cccc(N)c3)cc2-c2ccccc2[N+](=O)[O-])cc(OC)c1OC 1857594713 RTVPWMWCWOVESQ-UHFFFAOYSA-N 473.485 4.892 5 1 JJBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCC[C@@H](C)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 49088495 HAAYACSSCTVICJ-GYCJOSAFSA-N 464.518 4.740 5 1 JJBF C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccccc3F)CCC1CC2)(c1ccccc1)N1CCCCC1 73161188 OMGBLXWNGZEFEP-NNMXADRKSA-N 465.633 4.922 5 1 JJBF O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 767066 YQPZFUXNCUOVEM-GMAHTHKFSA-N 467.884 4.838 5 1 JJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cnc(Br)cc4[nH]3)cc2)nc1C(F)(F)F 587118465 NJCQWKGRJPEUBB-UHFFFAOYSA-N 467.205 4.559 5 1 JJBF COc1c([N+](=O)[O-])ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F 587714554 GETATTOPKMRDAW-VXJOIVPMSA-N 461.234 4.730 5 1 JJBF CCOc1cc(NC(=O)CCCCCCC(=O)NCCc2ccccc2)cc2c1OCC([N+](=O)[O-])=C2 1772630769 RDCDZPZWDPKHKS-UHFFFAOYSA-N 495.576 4.733 5 1 JJBF O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1 82135917 UHKNMGZPAMPLPN-UHFFFAOYSA-N 471.439 4.823 5 1 JJBF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586939560 WKSSGHQDHWLBGC-SFHVURJKSA-N 465.966 4.988 5 1 JJBF N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c5ccc6c7ccccc7ccc6c5oc2c34)C1 1658940 ODUKWYWEUZJFKM-HNNXBMFYSA-N 481.483 4.880 5 1 JJBF Cc1ccccc1[C@H]1[C@@H]2CSCN2[C@@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)[C@@]12Cc1ccccc1C2=O 66252068 QITFQIFPUXGSPH-LSGCGUROSA-N 497.576 4.648 5 1 JJBF C[C@]1(CC(=O)OCc2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340479 HVXPRIHEBQAUDD-ILBGXUMGSA-N 465.433 4.691 5 1 JJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O 587646881 ACWDWMLJWJDGSR-JTHBVZDNSA-N 471.425 4.843 5 1 JJBF O=C(O)c1cc2[nH]c(CCOCC3CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587783595 VUXNJBXKLWNDPC-UHFFFAOYSA-N 470.481 4.814 5 1 JJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1 587865496 AEIHIFXKGKKHRU-UHFFFAOYSA-N 485.422 4.809 5 1 JJBF CCN(CC)CCNc1ccc(CNS(=O)(=O)c2ccccc2)c2sc3ccccc3c(=O)c12 101298569 FQXWDUASAKBEKX-UHFFFAOYSA-N 495.670 4.647 5 1 JJBF COC(=O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2cc(C)cc(N)c2O1 587375404 MKGNVNKMQDSDBW-XMMPIXPASA-N 466.877 4.834 5 1 JJBF Cc1c([N+](=O)[O-])cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1[N+](=O)[O-] 587748364 WMXPRPNXSAYIRT-UGZDLDLSSA-N 452.280 4.819 5 1 JJBF CCCCN(CCCC)c1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] 40567078 UTCORRCKWDPPLY-UHFFFAOYSA-N 468.507 4.850 5 1 JJBF C[C@@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548316 PMSXUNIIVWSRTB-OFNKIYASSA-N 468.849 4.703 5 1 JJBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCN(CC)CC 4213581 QLHOLLZHKCTCGF-SFTDATJTSA-N 452.983 4.720 5 1 JJBF CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 82195861 CSSRTJGPEXKCSW-KKVAFCGZSA-N 481.018 4.644 5 1 JJBF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587039520 GAECGRMZKBXTEE-HSZRJFAPSA-N 455.543 4.946 5 1 JJBF COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574356 FRSPPXQLKXDECQ-RCZVLFRGSA-N 458.426 4.803 5 1 JJBF C[C@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2c1 35079464 NXWHGMSIVVPFJT-LBPRGKRZSA-N 458.879 4.781 5 1 JJBF O=C1OCC2=C1[C@H](c1ccc(O)c(Br)c1)c1c(c3cccnc3c3ncccc13)N2 299836429 GPLGXOLMSGHYJU-QGZVFWFLSA-N 460.287 4.619 5 1 JJBF COc1c([N+](=O)[O-])ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC(F)F 587552575 ASIPTIGTGDWHHT-QFBILLFUSA-N 459.357 4.613 5 1 JJBF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)s2)N1 963233063 SYTBHSNQSBXYOW-AUSIDOKSSA-N 465.918 4.749 5 1 JJBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1ccccc1F 4274985 NGQKWGADKSBWRE-BJKOFHAPSA-N 485.512 4.835 5 1 JJBF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NCCNc3ccc([N+](=O)[O-])cn3)CC[C@@H]12 29411295 KYMJWJCKOMPUHJ-XRKIENNPSA-N 450.583 4.925 5 1 JJBF aggregator Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)NC(N)=N2 103238811 JSFCJWIQNLJBBB-JOCHJYFZSA-N 469.530 4.936 5 1 JJBF COc1cc(OC)c(-c2coc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2=O)cc1OC 299838220 MKCJOTWRILSYKH-UHFFFAOYSA-N 463.442 4.973 5 1 JJBF CCCCCOc1cc(OC[C@H](O)CNCCCC)cc2oc3c(OC)cccc3c(=O)c12 1772650086 UONHZYLOQRPZLO-GOSISDBHSA-N 457.567 4.653 5 1 JJBF NC(=O)c1cc(N2CCC(c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262491 ATIKQOSKGHSMFO-UHFFFAOYSA-N 467.835 4.626 5 1 JJBF Cn1cc([N+](=O)[O-])c(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)n1 587579407 ZPHBNKMMIDTRDF-NZQKXSOJSA-N 459.414 4.529 5 1 JJBF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H](c2nc3ccccc3c3ncccc23)N1 962926052 SPXFXAWHQGAVON-RPLLCQBOSA-N 463.493 4.969 5 1 JJBF C=C(C=Cc1cccc([N+](=O)[O-])c1)N(C(=O)c1cc(OC)ccc1N)c1ccc(C(=O)O)cc1 2356844092 DLWZENXMXKJPCY-UHFFFAOYSA-N 459.458 4.758 5 1 JJBF C[C@@]1(c2ccc(F)c([N+](=O)[O-])c2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963449159 QCEHIHJCJJJSKA-BKMJKUGQSA-N 473.460 4.630 5 1 JJBF CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Oc1ccc2c(=O)c3ccccc3oc2c1 1857772747 HSKDVAZJEXKEGG-NRFANRHFSA-N 475.497 4.693 5 1 JJBF O=C(NC1CCCCC1)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 773376 YYJXEAZWNYLRSN-UHFFFAOYSA-N 453.426 4.847 5 1 JJBF COc1ccc2[nH]c3c(c4c(c5c6cc(OC)ccc6n(CCCN(C)C)c35)CNC4=O)c2c1 14944017 TZAHMEHTLQVSPK-UHFFFAOYSA-N 456.546 4.641 5 1 JJBF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587238071 AMSZOOPIVPNTGA-VQDICGIKSA-N 495.374 4.789 5 1 JJBF COc1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260806 GCKAEJIAEKWJIK-UHFFFAOYSA-N 462.178 4.816 5 1 JJBF COCCNc1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] 587261501 CKUFYVYLCRFFRH-UHFFFAOYSA-N 459.222 4.978 5 1 JJBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3cc(Cl)c([N+](=O)[O-])n3)c1)CC2=O 587461938 LTPAQXRTFGOXFK-NRFANRHFSA-N 471.897 4.866 5 1 JJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(F)cc1[N+](=O)[O-] 587558119 QFLRKKXJYSQBDI-XLIONFOSSA-N 460.211 4.905 5 1 JJBF COc1cc([C@H]2NCC(C)(C)c3cc4c(cc32)OCO4)ccc1OCc1ccccc1[N+](=O)[O-] 963391626 VTCPAPSILNULSO-RUZDIDTESA-N 462.502 4.881 5 1 JJBF CO[C@@H]1[C@@H](N(C)C#N)C[C@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 2356409491 KPHYDWCWSJOGAL-WIVZWRGPSA-N 491.551 4.547 5 1 JJBF COc1ccc(CCNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82149974 VOUNRMXCYMTQKE-KDURUIRLSA-N 489.576 4.833 5 1 JJBF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1nn(C)cc1[N+](=O)[O-] 587753379 VMRCGQLMVCXUPS-PRWKNARSSA-N 491.317 4.654 5 1 JJBF O=C(NN1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])cc1)c1[nH]c2ccc(F)cc2c1-c1ccccc1 1857609030 XZPAUORSCPKHGK-DEOSSOPVSA-N 476.489 4.801 5 1 JJBF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 586944730 VFTHGWZMDVLMGR-UHFFFAOYSA-N 485.594 4.909 5 1 JJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1N1CCN(c3ccccc3)CC1)O2 587389909 NQSIPLNVVBTIAG-RUZDIDTESA-N 458.518 4.519 5 1 JJBF COc1cc2c3c(c1)O[C@](c1ccc(SC)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587451014 HWHHFJOJYGSGMB-AVRWGWEMSA-N 477.494 4.715 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C/c1ccccc1[N+](=O)[O-])N1CCC2CC1 587749860 ZVDKIMGOSDTOLM-AKJNXFCWSA-N 472.358 4.993 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])N1CCC2CC1 587749862 ZVDKIMGOSDTOLM-HSFJQDKISA-N 472.358 4.993 5 1 JJBF Cc1ccc(-c2ccc([C@@H]3c4ccccc4C[C@@]4(C5CCC5)C(=O)NC(=O)N34)o2)c([N+](=O)[O-])c1 962663045 JHCMAARXFALXEJ-JYFHCDHNSA-N 457.486 4.899 5 1 JJBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1OCc1cc(Cl)ccc1Cl 473125926 YSNRZULKXCQSPR-UHFFFAOYSA-N 450.278 4.843 5 1 JJBF Cc1cc2[nH]c([C@H](CC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc2cc1[N+](=O)[O-] 587204530 ZNNWGKYPSFORNF-QFIPXVFZSA-N 488.500 4.881 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c3cccnc3c3ncccc3c2[nH]1 587265617 XBZCZHBKBYSIPO-ZDUSSCGKSA-N 457.446 4.919 5 1 JJBF COCCOc1ccc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1[N+](=O)[O-] 587266413 WTQMPDPGOFALSF-UHFFFAOYSA-N 464.316 4.961 5 1 JJBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)nn2)c1 587269738 NMKPXLJGACNPFX-UHFFFAOYSA-N 453.178 4.500 5 1 JJBF O=C(NC1CCCC1)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774534 CYDYGXBVGXGDHN-UHFFFAOYSA-N 455.854 4.971 5 1 JJBF Cc1cc2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc2cc1[N+](=O)[O-] 586969145 GTZWVRAPTQGROI-HUUCEWRRSA-N 464.551 4.629 5 1 JJBF C[C@@]1(c2cc(Br)cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538165 CQRVJEUKXWFXEB-RXVVDRJESA-N 456.248 4.940 5 1 JJBF Cn1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575698 KIROIVHDOQQWQN-GJZUVCINSA-N 470.437 4.573 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c(C(C)=O)c2c1 587619115 BFBUSIFGRHCDAN-UHFFFAOYSA-N 483.477 4.894 5 1 JJBF O=C1NC(=O)c2c1c1c3ccc(CN4CCSCC4)cc3[nH]c1c1c2c2cccc3c2n1CCC3 14945591 CYKPPNRVHKJXHI-UHFFFAOYSA-N 480.593 4.808 5 1 JJBF CC[C@H](C)[C@@H](/C=C/c1ccccc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1cccc([N+](=O)[O-])c1 26744424 QAKBQPAKGBKNHH-ALZDYVSSSA-N 463.578 4.876 5 1 JJBF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2cccc([N+](=O)[O-])c2)C1 82135679 ARKJAPGHYSRGRL-IAGOWNOFSA-N 489.532 4.511 5 1 JJBF Cc1cc2[nH]c([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)nc2cc1[N+](=O)[O-] 587141560 TVXKGUAZXGKIRV-QGZVFWFLSA-N 454.911 4.638 5 1 JJBF O=[N+]([O-])c1ccc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c([N+](=O)[O-])c1 587263501 APJBQSAJMFAVPL-UHFFFAOYSA-N 461.150 4.631 5 1 JJBF O=C(O)c1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587576760 POXZHMOIJBMOBU-HOFKKMOUSA-N 483.432 4.904 5 1 JJBF CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21 587691809 INSUTUWTUUYNHW-PRWKNARSSA-N 485.737 4.881 5 1 JJBF O=S(=O)(c1ccc(Br)s1)N1CCN(c2nc3ccccc3c3ccccc23)CC1 1772641886 FNEYHKSIVSTEJC-UHFFFAOYSA-N 488.432 4.723 5 1 JJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 586922525 VAZNZNDQXVJJFE-UHFFFAOYSA-N 472.320 4.875 5 1 JJBF N=c1[nH]c2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc-2c(Cl)[nH]1 587036830 ATZGWMMURMFFMS-UHFFFAOYSA-N 455.912 4.707 5 1 JJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 587859858 KBODQNQYYSGBPK-UHFFFAOYSA-N 451.222 4.761 5 1 JJBF COc1cc2ncc3c(N)nc(-c4cncc(Nc5ccc(CCO)cc5)c4)cc3c2cc1OC 45256335 DIVNIHJWNGYGEI-UHFFFAOYSA-N 467.529 4.723 5 1 JJBF COc1ccc(-c2nnc(-c3ccc4nc(COc5ccc([N+](=O)[O-])cc5C=O)[nH]c4c3)o2)cc1 587269418 NHFBKKRKBOELFX-UHFFFAOYSA-N 471.429 4.588 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc([N+](=O)[O-])c[nH]2)(C(Cl)(Cl)Cl)N1 587690113 ZENZHNUHISBSCD-WJWGPLDTSA-N 471.541 4.973 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])N1 587700662 VJDPQGIPFPPRJW-OVWNDWIMSA-N 470.726 4.928 5 1 JJBF Cc1c(O[C@@H](C)[C@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)ccc2c1oc(=O)c1ccccc12 962904451 VTSLNRVDUZATBX-PYUVCXHJSA-N 461.489 4.675 5 1 JJBF CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@H]1c1c(Cl)cccc1Cl 1772624046 NLCHWBKNZBCLLQ-SFHVURJKSA-N 481.339 4.930 5 1 JJBF CCOCCCNC(=O)c1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1N1CCCCC1 35403638 FKQDZWWSERMFKG-UHFFFAOYSA-N 488.972 4.647 5 1 JJBF COc1ccccc1CCNC(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135944 YXNCLAGJSCPJJB-UHFFFAOYSA-N 475.549 4.778 5 1 JJBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4ncc(I)cc4[nH]3)cc2)cc1 587271730 HGZOLSWPGSOBES-UHFFFAOYSA-N 458.215 4.930 5 1 JJBF Cc1cc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccc1[N+](=O)[O-] 587656262 IDZYAUBIBKSEQC-CQSZACIVSA-N 465.412 4.666 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3cccc(C)c3)c2c1 587620833 HJFPDCRPIPLOKY-UHFFFAOYSA-N 494.529 4.755 5 1 JJBF O=C(Nc1ccccc1-c1nnn(-c2ccc(C(F)(F)F)cc2)n1)c1ccc([N+](=O)[O-])cc1 299852208 OUPWVHMAJKOIAJ-UHFFFAOYSA-N 454.368 4.509 5 1 JJBF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586937256 LMLYGJAVXSRMNF-HNNXBMFYSA-N 487.763 4.563 5 1 JJBF O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccc([N+](=O)[O-])cc1 587211455 QMEPFXOWMUOZNU-GJZUVCINSA-N 464.477 4.986 5 1 JJBF COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OC(=O)c1ccc2c(c1)OCO2 96935112 MWIQDCCIZWURDJ-UHFFFAOYSA-N 494.479 4.675 5 1 JJBF N[C@H](c1ccsc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587024525 BTTBERZUSBDRTM-XMMPIXPASA-N 483.505 4.955 5 1 JJBF Cc1c(Br)cnc2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12 587056600 SNAQTZCYFAKIRJ-AWEZNQCLSA-N 466.723 4.718 5 1 JJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])c(Br)cc1F 587559865 ZWKJFAWOPPLYNC-PXNSSMCTSA-N 460.211 4.905 5 1 JJBF CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3ccccc3nc2Cl)S1)c1ccc([N+](=O)[O-])cc1 72107281 NTKPGYDLHBRSQF-FQEVSTJZSA-N 469.910 4.714 5 1 JJBF C[C@@](C(=O)O[C@H]1C[N+]2(CCCc3cccnc3)CCC1CC2)(c1ccccc1)N1CCCCC1 73196314 FKZXUTFIOSGCHU-NGWQEONKSA-N 462.658 4.568 5 1 JJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc([N+](=O)[O-])cn2ccnc12 587574090 ALWKAQBCTZSKIP-YIXXDRMTSA-N 479.448 4.854 5 1 JJBF COc1c(OC(F)F)ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] 587717674 MAXMKOOWRJJAMI-ANRSDYALSA-N 461.234 4.730 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)N1 587749196 CLWZSQJVTAYPIW-PSLXWICFSA-N 481.325 4.970 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2nn(C)cc2[N+](=O)[O-])N1 587754620 ZJSHBXVTVVLJPX-NSPYISDASA-N 461.291 4.646 5 1 JJBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1nn(COc2ccccc2F)cc1Cl 587946203 RPXXXPJKIHCECI-CYBMUJFWSA-N 452.870 4.638 5 1 JJBF O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1 43022520 PMSLDIHTDBABLG-YMVIPVGISA-N 478.634 4.605 5 1 JJBF COc1ccc([C@@H]2[C@@H](c3ccc(F)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 66259672 MWJSNBPWBGLRGH-DHIUTWEWSA-N 482.464 4.640 5 1 JJBF COc1c2c(cc3nc4ccccc4nc13)CC[C@H](NC(C)=O)c1cc(=O)c(SC)ccc1-2 6003048 ISDVTNLHLWJWPY-SFHVURJKSA-N 457.555 4.664 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)N1 587681597 QLJUXTIICJPPFV-DYBLOJMWSA-N 470.136 4.983 5 1 JJBF CC(C)(C)c1cc(C(=O)Cn2c(NCCCO)nc3cc([N+](=O)[O-])ccc32)cc(C(C)(C)C)c1O 53298534 OFCRRQTVAKGWOA-UHFFFAOYSA-N 482.581 4.922 5 1 JJBF O=C1c2ccccc2[C@@](OCCCCO)(c2ccc(Cl)cc2)N1CCc1ccc([N+](=O)[O-])cc1 66128728 RKRLKEJLWMFRQZ-SANMLTNESA-N 480.948 4.937 5 1 JJBF CS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl 586926319 NFLAPGYHDDOCCJ-UHFFFAOYSA-N 498.664 4.976 5 1 JJBF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)cs2)cc1 587014309 PFRXFOXMZLJOEN-UHFFFAOYSA-N 452.496 4.927 5 1 JJBF Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@@H](c1ccccc1[N+](=O)[O-])NC(N)=N2 103238807 FTHOGDBGQGCBAD-JOCHJYFZSA-N 469.530 4.936 5 1 JJBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCc2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 169723573 HRKDEIBQPPISRN-UNMCSNQZSA-N 470.909 4.655 5 1 JJBF O=[N+]([O-])c1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)nn1CC(F)(F)F 587092081 LRFCKWSNHPTYPR-UHFFFAOYSA-N 474.115 4.558 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587750933 KNIJUBYPPKVWHY-XUSGNXJCSA-N 475.318 4.661 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn2C)N1 587754667 ZYHAIWAIFPYGOY-GTJPDFRWSA-N 472.314 4.690 5 1 JJBF O=[N+]([O-])c1ccc(N2CCC(NCC[C@@H](O)c3ccc(F)c(F)c3)CC2)c(C(F)(F)F)c1 1857750937 ZVTYAGIJVHEBBK-HXUWFJFHSA-N 459.415 4.574 5 1 JJBF Cn1cc([N+](=O)[O-])c(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)n1 587579406 ZPHBNKMMIDTRDF-NFBKMPQASA-N 459.414 4.529 5 1 JJBF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 587872710 SDULQALUJIBIKA-UHFFFAOYSA-N 482.493 4.786 5 1 JJBF CCOC(=O)C1=C(c2ccccc2)Oc2nc3c(c(N)c2[C@@H]1c1cccc([N+](=O)[O-])c1)CCCC3 1772652876 YQLOICCICWDZNG-NRFANRHFSA-N 471.513 4.950 5 1 JJBF COc1ccc2c3c4c(c5c(ccc6ccn(C)c65)c3n(CCN3CCCCC3)c2c1)C(=O)NC4=O 13535079 MXWSOFYDGPJSQA-UHFFFAOYSA-N 480.568 4.818 5 1 JJBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2ccc(-c3cccc(C(F)(F)F)c3)cn12 96939376 OUEVFOAXVDVZLO-UHFFFAOYSA-N 461.421 4.902 5 1 JJBF O=C(c1ccc(COc2cccc([N+](=O)[O-])c2)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661135 NSPLYLVMAVRYIR-UHFFFAOYSA-N 485.427 4.971 5 1 JJBF O=[N+]([O-])c1ccc(-c2cn([C@H](CN3CCNCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 653894818 PUDVQKKSAONRPO-XMMPIXPASA-N 484.585 4.716 5 1 JJBF COc1c(OC(F)F)ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] 587720191 SDPCJKIEQYALNO-ANRSDYALSA-N 461.234 4.730 5 1 JJBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c1)CC2=O 587482237 CMRBKIPZMJNENP-DEOSSOPVSA-N 481.526 4.933 5 1 JJBF COc1ccc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1COc1ccc([N+](=O)[O-])cc1Cl 963036079 WXSATVVNJNYOFT-AKJBCIBTSA-N 493.947 4.979 5 1 JJBF Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2cccc([N+](=O)[O-])c2)cc1Cl 103212340 IEOHBCVRCXGNPF-FQEVSTJZSA-N 487.969 4.629 5 1 JJBF CN(C)c1ncccc1-c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 587196423 VJLIWFCFJCHRLA-UHFFFAOYSA-N 492.491 4.973 5 1 JJBF CCOC(=O)C[C@]1(c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341639 ZFXORGQMGUSRTR-UKILVPOCSA-N 465.433 4.647 5 1 JJBF COC(=O)c1ccc(NC(=O)CSc2ncncc2-c2cccc3ccccc23)c([N+](=O)[O-])c1 219766525 SBLDNCBMARYGQP-UHFFFAOYSA-N 474.498 4.722 5 1 JJBF COc1ccc2c(c1OC)-c1cc(ccc1O)CCC(=O)O[C@@H]1C[C@@H]2[N+]2([O-])CCCC[C@@H]2C1 238788061 MOJLUBVYQSBQPK-IDFGXXFASA-N 453.535 4.636 5 1 JJBF COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587747074 LRXCKEHQZGBZHJ-LAJNKCICSA-N 460.303 4.919 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587754421 YPGNLOZRMNTVHP-GTJPDFRWSA-N 475.318 4.661 5 1 JJBF C[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963172834 DOVQDRHXFXTFPS-HKUYNNGSSA-N 453.804 4.611 5 1 JJBF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82134731 SXVBYSYPOAUJBF-QZTJIDSGSA-N 451.571 4.844 5 1 JJBF COc1cc(N)c(I)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587178690 ISLPSJHJZCXSCK-UHFFFAOYSA-N 467.270 4.522 5 1 JJBF CCN(CC)c1ccc(-c2nn(-c3ccc(OC)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587665036 KNPVOGHJLSLQGY-UHFFFAOYSA-N 460.490 4.521 5 1 JJBF COc1cc(-c2ccc3c(c2)Nc2ccc(NC(=O)C4=CN=NC4)cc2NC3=O)ccc1[N+](=O)[O-] 87612877 DKUWDBQMVIDUKH-UHFFFAOYSA-N 470.445 4.868 5 1 JJBF COc1ccc(Cl)cc1C(=O)Nc1ccc(C2=NN[C@H](c3ccccc3[N+](=O)[O-])C2)cc1 96934168 DCPFPDKTJDHPJW-FQEVSTJZSA-N 450.882 4.948 5 1 JJBF O=C1c2ccc(Br)cc2[C@@](O)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 117282455 OLXCQFXLEHKPGT-NRFANRHFSA-N 473.710 4.860 5 1 JJBF COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCCC(C)C)cc1 774443 KNCJMDQDTGEGLR-UHFFFAOYSA-N 469.494 4.719 5 1 JJBF CS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc([N+](=O)[O-])c1Cl 586926368 NYUJGMURKUPDJS-UHFFFAOYSA-N 454.213 4.867 5 1 JJBF CCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)c4ccccc4oc3c2)c1 13781323 ALPCPHJLBPNALD-UHFFFAOYSA-N 460.530 4.955 5 1 JJBF C[C@@]1(c2cc(Br)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540522 PEGRXYODDSCZEG-NQIIRXRSSA-N 456.248 4.940 5 1 JJBF Cc1nn(Cc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2)c(C)c1[N+](=O)[O-] 587661963 VCJSSNOQNOUZON-UHFFFAOYSA-N 497.486 4.661 5 1 JJBF C[C@H]1O[C@@H](n2c3ccc(Cl)cc3c3ccc4c5cc(Cl)ccc5[nH]c4c32)[C@H](O)[C@H](O)[C@H]1O 85598705 FDYWPCLQYXMCJD-AXSDUEMKSA-N 471.340 4.736 5 3 JJBF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c(F)c2)c1 587148076 ZFSJGZMKUPDTSR-UHFFFAOYSA-N 452.354 4.559 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])N1 587701398 XKPQJHNTVLLALK-OVWNDWIMSA-N 470.726 4.928 5 1 JJBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(Br)cnc1Br 587939215 COKUBOOZCSFHOR-SECBINFHSA-N 463.126 4.532 5 1 JJBF C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Br)cc3OC2)cc1)C1CCOCC1 34804385 OOXWSZTZOMZLAV-UHFFFAOYSA-O 472.403 4.619 5 1 JJBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(SC(F)(F)F)cc2[nH]1 587265898 YAVAUZBTCSWTCJ-AYVTZFPOSA-N 457.390 4.525 5 1 JJBF C[C@]1(c2ccc(Br)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541100 SSHKCADQYJLCRQ-WIYYLYMNSA-N 456.248 4.940 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])N1 587701393 XKPQJHNTVLLALK-APBUJDDRSA-N 470.726 4.928 5 1 JJBF CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587744802 FRDDYBSPBVILGI-SBOBAANCSA-N 494.317 4.602 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 587753885 WUXNTFJYWPCIMN-QVQLBTGDSA-N 483.293 4.573 5 1 JJBF COc1ccc(OCCCN2CCN(Cc3cccc4c(=O)c5ccc(OC)cc5oc34)CC2)cc1 1857577565 KOHUSZVBMCNVPH-UHFFFAOYSA-N 488.584 4.550 5 1 JJBF Cc1c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980181 PQUMQTSTLJNITC-UHFFFAOYSA-N 456.050 4.880 5 1 JJBF COc1cc([N+](=O)[O-])c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587329759 AOCVMJLZGPPFKE-UPVQGACJSA-N 453.422 4.731 5 1 JJBF COc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587578730 XGJQEMKSIAKNGD-WIOPSUGQSA-N 458.426 4.803 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2nn(C)cc2[N+](=O)[O-])N1 587754622 ZJSHBXVTVVLJPX-WYRIXSBYSA-N 461.291 4.646 5 1 JJBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 963170385 ADVBEDAQXDGHIH-ABAIWWIYSA-N 497.626 4.857 5 1 JJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c1)O2 587390557 RLPIUWRJKDKNFZ-SANMLTNESA-N 472.545 4.514 5 1 JJBF O=C(O[C@@H]1C[N+]2(CCCOCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857584391 AIMDAESTPOXUBL-FYLLWHEGSA-N 486.632 4.682 5 1 JJBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 586998021 GBPSIPWUELBJOD-RJRFIUFISA-N 467.073 4.895 5 1 JJBF Cn1cc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C=O 587345261 ZDWBQANWVHCUGO-XNMGPUDCSA-N 486.455 4.893 5 1 JJBF COc1ccccc1CCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149940 DIVYPHPBJMUAQQ-RTBURBONSA-N 489.576 4.833 5 1 JJBF CC(=O)N[C@@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(Br)cc1 586984205 CSKHZYNYRYUOJY-SFHVURJKSA-N 460.335 4.842 5 1 JJBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1 587862944 MJKAXIOWIMGQGS-UHFFFAOYSA-N 485.422 4.727 5 1 JJBF COc1cc2ncc3c(N)nc(-c4cncc(OC[C@H](N)Cc5ccc(F)cc5)c4)cc3c2cc1OC 49089588 OBAJYVJLNXGBOG-LJQANCHMSA-N 499.546 4.532 5 1 JJBF Nc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587574368 FWKUWJTYRBEIPP-JYFHCDHNSA-N 454.438 4.788 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577732 ONPWCOSLQAELSK-WIOPSUGQSA-N 473.441 4.545 5 1 JJBF CCOC(=O)CC[C@@]1(c2ccc(OC)c([N+](=O)[O-])c2)NCCc2c(Cl)cc(Cl)cc21 963125042 RVMPVZBQAFFLAB-NRFANRHFSA-N 453.322 4.643 5 1 JJBF O=C(N/C(C(=O)N1CCCCC1)=C(/Br)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 26651389 MEEISWNAMXLFNM-VHEBQXMUSA-N 492.757 4.754 5 1 JJBF COc1ccc([C@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 73168567 AYIWJIOYWAXMMD-BWKNWUBXSA-N 488.500 4.786 5 1 JJBF COP(=O)(OC)[C@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 103219730 BUMBBJWJVGHDOB-KRWDZBQOSA-N 463.301 4.720 5 1 JJBF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c12 587514532 ZIXLZAHHVKKYOA-HHHXNRCGSA-N 469.449 4.625 5 1 JJBF COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587748000 RHPAEFKNWDENOY-MROAWWQASA-N 463.303 4.502 5 1 JJBF CCCCNC[C@H](O)COc1cc(OCc2cccc(OC)c2)c2c(=O)c3ccccc3oc2c1 1772574601 AXWDFRDWXCOARE-FQEVSTJZSA-N 477.557 4.663 5 1 JJBF COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC(=O)Nc3ccccc3)c([N+](=O)[O-])c1)CC2=O 98085160 OEJZESWOHWQGAQ-IBGZPJMESA-N 494.456 4.938 5 1 JJBF COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334396 JIYAWZBPCAWIHL-ILBGXUMGSA-N 480.448 4.595 5 1 JJBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o1)CC2=O 587461607 XTVSPWODEBHUQT-SFHVURJKSA-N 476.283 4.560 5 1 JJBF CCCc1c(O)ccc2c1O[C@@](c1ccc(N(C)C)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)CC2=O 587473680 ZGHFNCULQIBHAE-MHZLTWQESA-N 490.512 4.926 5 1 JJBF O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576135 MOVUEMXBOFDLOI-YIXXDRMTSA-N 481.416 4.884 5 1 JJBF COc1ccc2c(c1OC)[C@H](c1ccc3cccc([N+](=O)[O-])c3n1)N(C(=O)c1ccccc1N)CC2 963158071 MODYMHFAIGYIRB-VWLOTQADSA-N 484.512 4.530 5 1 JJBF COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC 2483353 WQXGFNGAMLGPQI-UHFFFAOYSA-N 496.564 4.821 5 1 JJBF C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)c2ccccc2Cl)c([N+](=O)[O-])c1 248125291 WPRZEZBEIDYKAF-JKIFEVAISA-N 450.944 4.636 5 1 JJBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(SC(F)(F)F)cc2[nH]1 587265895 YAVAUZBTCSWTCJ-ANRSDYALSA-N 457.390 4.525 5 1 JJBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1c(Br)cccc1-c1cnn(C)c1 587934449 FSKKUQRKRUANPZ-ZDUSSCGKSA-N 463.332 4.775 5 1 JJBF Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567661 IPDJINIZCLKYOQ-JYFHCDHNSA-N 472.428 4.927 5 1 JJBF Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4037929 SWEQKFKMBGIFQC-RBBKRZOGSA-N 485.327 4.892 5 1 JJBF CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccccc1[N+](=O)[O-] 114099215 IVZPMFBSMVAJGU-GOSISDBHSA-N 490.000 4.820 5 1 JJBF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)N2 587030589 GCRYTZYXEGOXQH-ISKYKNHCSA-N 460.497 4.506 5 1 JJBF Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576124 MOROBHPZJLFGIQ-ZEQKJWHPSA-N 454.438 4.788 5 1 JJBF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(C)cc4[N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O 587432760 LPYISDKGQWBZCU-AFMDSPMNSA-N 461.470 4.988 5 1 JJBF COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 767956 ADUSBJNALFZPBK-GGAORHGYSA-N 465.893 4.665 5 1 JJBF Cn1cc([N+](=O)[O-])c(Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)n1 587577567 SSJGROMUFNRMCX-NZQKXSOJSA-N 459.414 4.529 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc([N+](=O)[O-])cn2C)(C(Cl)(Cl)Cl)N1 587679740 GSRRGJBXIJNCLA-ANRSDYALSA-N 485.568 4.983 5 1 JJBF O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc2ccccc2c2nc3c4nsnc4ccc3n12 66259689 QXHKHSIYRMSIDZ-UHFFFAOYSA-N 466.438 4.722 5 1 JJBF O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 587000423 NJXZUWXKIRONGO-OWOJBTEDSA-N 481.100 4.938 5 1 JJBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)(F)F 587551003 XBJOTKOSPGEUPO-UGKGYDQZSA-N 491.374 4.953 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(O)c([N+](=O)[O-])c2)N1 587676079 FCKUCAPIXIFFCE-ZIDLFYJRSA-N 460.097 4.588 5 1 JJBF CCOC(=O)CCCCC[C@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962729313 HUOPWIAGOHCNSX-ZJSXRUAMSA-N 492.494 4.998 5 1 JJBF O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4053832 KQPVVTIAKVTCCK-GGAORHGYSA-N 467.884 4.838 5 1 JJBF O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135991 MLZNZXSQOMQYOU-UHFFFAOYSA-N 471.439 4.601 5 1 JJBF COc1c([N+](=O)[O-])ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F 587720764 UQFBGXUAWWBGJI-GLEZIHRCSA-N 461.234 4.730 5 1 JJBF COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587747461 OAUAYRUOUZHAQO-FRBIIYQNSA-N 463.303 4.502 5 1 JJBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 22009607 XEMMMYRHLQVPBM-SOFPGWOFSA-N 491.544 4.661 5 1 JJBF CSc1ccc(NC(=O)NCCn2c(-c3ccccc3)nc3ccc([N+](=O)[O-])cc3c2=O)cc1 103167164 PWSMJPWFECQWFQ-UHFFFAOYSA-N 475.530 4.515 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn2C)N1 587748666 BAMDAQAUVOYBIZ-GTJPDFRWSA-N 472.314 4.690 5 1 JJBF Cn1cc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(-c2ccc([N+](=O)[O-])cc2)n1 962965218 ZJAKTNDSRPWBHX-JOCHJYFZSA-N 472.467 4.755 5 1 JJBF COc1ccccc1CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 773745 ZOFCUIPLAVUAAS-UHFFFAOYSA-N 491.431 4.723 5 1 JJBF COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc1)CC2 40913974 FVRYHYDWSRRHJD-UHFFFAOYSA-N 476.533 4.857 5 1 JJBF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c12 587273633 MYZKPULOXYWPNT-UHFFFAOYSA-N 476.390 4.711 5 1 JJBF Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567662 IPDJINIZCLKYOQ-OZXSUGGESA-N 472.428 4.927 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587576674 KCIZMZCDAOIHAI-WIOPSUGQSA-N 473.441 4.545 5 1 JJBF CCCCOc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962694895 BXKKXTQOHXFZLE-PKOBYXMFSA-N 456.392 4.620 5 1 JJBF CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@H]1c1ccc(Cl)cc1Cl 1772626967 WFQWQDKHSLTLGK-GOSISDBHSA-N 481.339 4.930 5 1 JJBF COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(c2c1)n(CCCN(C)C)c(=S)n4CCCN(C)C 5581643 RBHXOBSHRBIEEE-UHFFFAOYSA-N 496.637 4.694 5 1 JJBF O=c1c2ccccc2oc2cc(OCCCN3CCN(c4cccc(Cl)c4)CC3)cc(O)c12 40891539 WQRZYYVUELXYCN-UHFFFAOYSA-N 464.949 4.896 5 1 JJBF O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] 40891832 WHFANIIIOIBVGA-UHFFFAOYSA-N 485.891 4.751 5 1 JJBF CCc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 101522050 GMITTXRKDVNPGH-NPMXOYFQSA-N 491.635 4.725 5 1 JJBF COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC2CCCC2)c([N+](=O)[O-])cc1OC 103994000 RPSGPAOKLUCHJD-QFIPXVFZSA-N 456.495 4.906 5 1 JJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 586945206 BIDMMRGHDDNHEC-UHFFFAOYSA-N 499.393 4.502 5 1 JJBF COc1cc([N+](=O)[O-])c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587329755 AOCVMJLZGPPFKE-ISKFKSNPSA-N 453.422 4.731 5 1 JJBF COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587747999 RHPAEFKNWDENOY-JAMVQMINSA-N 463.303 4.502 5 1 JJBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C 587943159 OFJFJOQFNZFAFR-JTQLQIEISA-N 460.256 4.731 5 1 JJBF NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 15937533 FILSDAAUMOPZHF-NRFANRHFSA-N 472.973 4.658 5 3 JJBF Cc1ccc2c(c1)ncc1c(=O)n(CCCCN3CCN(c4cccc(Cl)c4)CC3)cnc12 72105090 UTIYOVVXWHXUIL-UHFFFAOYSA-N 461.997 4.509 5 1 JJBF Cc1c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980193 QMZFGYKMCGTOQK-UHFFFAOYSA-N 456.050 4.880 5 1 JJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587055432 QQTDHICBPVCDAY-JTQLQIEISA-N 477.230 4.665 5 1 JJBF C[C@H](CCC(=O)O)Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587962839 JJLYLIVFDYQOFQ-CYBMUJFWSA-N 486.480 4.888 5 1 JJBF CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 82195859 CSSRTJGPEXKCSW-UVFQYZLESA-N 481.018 4.644 5 1 JJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Br)nccc4[nH]3)cc2)nc1C(F)(F)F 587119521 XIHGJPFVZKRNMU-UHFFFAOYSA-N 467.205 4.559 5 1 JJBF COCCOc1ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1[N+](=O)[O-] 587265237 MYPQWWHNUFJJOP-UHFFFAOYSA-N 460.206 4.945 5 1 JJBF CCOc1ccc(-c2nn(-c3ccc(OC)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC 587669953 RWDRRCNDECQEEC-UHFFFAOYSA-N 461.474 4.767 5 1 JJBF COc1cc([C@@H]2COc3cc4ccc5c(O)cc(OC)c6c5c4c(c3[C@@H]2O)CC6)cc(OC)c1O 2356732953 KWRBBGXCBMVVTQ-XRHLQHRESA-N 474.509 4.738 5 1 JJBF COc1cc2c(=O)n(CCN(C(C)C)C(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 28520492 WRLXHIZGVQVVSV-UHFFFAOYSA-N 477.561 4.568 5 1 JJBF O=C(NCCC1=CCCCC1)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081148 JYQIVTVJJPPTCD-LJQANCHMSA-N 468.579 4.577 5 1 JJBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)c(Br)cc2[nH]1 587117005 PHLBAPJCWOGXCD-UHFFFAOYSA-N 483.042 4.568 5 1 JJBF Cc1c(-c2nc3ccc(I)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979703 IDHGGBOXKJBVJO-UHFFFAOYSA-N 458.053 4.814 5 1 JJBF COC(=O)C1=C(C)NC(C)=C(c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@H]1c1cccc(Cl)c1Cl 587054217 DAODQEUBOVCRQI-QGZVFWFLSA-N 474.304 4.738 5 1 JJBF O=C1C[C@@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587510548 LKHGJEIYVYWLRM-MUUNZHRXSA-N 482.492 4.631 5 1 JJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])c(Br)cc1F 587559864 ZWKJFAWOPPLYNC-FXAWDEMLSA-N 460.211 4.905 5 1 JJBF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)N1 963226514 DWPKHEHTMPXFJP-ZJSXRUAMSA-N 486.440 4.532 5 1 JJBF COc1cc2c(=O)n(CCCN3CCCC3)c3c4cc5c(cc4ccc3c2cc1OC)OCO5 1857633496 XRZGEFCWJMAJDL-UHFFFAOYSA-N 460.530 4.540 5 1 JJBF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1I 587508433 VVTMUDXRLFSSGW-KRWDZBQOSA-N 479.270 4.793 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(O)c([N+](=O)[O-])c2)N1 587680156 SPTBGHVXGNYVNR-KWKYVRJSSA-N 460.097 4.588 5 1 JJBF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC(F)F 587712466 AZQZXKBYEYNYIU-RBHXEPJQSA-N 461.234 4.730 5 1 JJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(F)c(F)c(F)c2[nH]1 586949579 ZMQPZIILATUACU-UHFFFAOYSA-N 462.409 4.665 5 1 JJBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587159739 WFUMNGJTKARQIE-UHFFFAOYSA-N 450.142 4.850 5 1 JJBF NC(=O)c1cc(N2CCC(c3nc4ccc(OCc5ccccc5)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262987 KACSUOSBLQBPHQ-UHFFFAOYSA-N 471.517 4.533 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc([N+](=O)[O-])c[nH]2)(C(Cl)(Cl)Cl)N1 587688309 LFDIKGLPQLODFF-JKYUHCHBSA-N 471.541 4.973 5 1 JJBF COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434407 URTKCVXGQNETKY-KOSHJBKYSA-N 461.426 4.671 5 1 JJBF CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cccc([N+](=O)[O-])c1 114099190 WTMHFLQKBAIDTM-SFHVURJKSA-N 490.000 4.820 5 1 JJBF COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)c4cccc([N+](=O)[O-])c4C)c1)[C@@H](C2)C3=O 587434774 ZNOWHEOXTPJJQI-FNZWTVRRSA-N 458.470 4.827 5 1 JJBF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)N1 963202608 ZUFPRYJSDXNBSE-BONVTDFDSA-N 484.736 4.854 5 1 JJBF COc1ccc2c(c1OC)[C@@]13CC[N+](C)(C)[C@H](C2)[C@]12C=C[C@@]1(OC)[C@H]3N=C(c3ccccc3)[C@]1(C)C2 101256420 DOHPOTFCTOJIQG-VYGMVJOBSA-N 485.648 4.569 5 1 JJBF NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N[C@@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 102820740 PLBPJLPIDAWWPE-POBVKMQOSA-N 486.572 4.624 5 1 JJBF NC(=O)c1cc(N2CCC(c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263605 WNLFAWQWANNCAY-UHFFFAOYSA-N 483.834 4.506 5 1 JJBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1nn(C)cc1[N+](=O)[O-] 587573815 DCOGLUHZDHJCHQ-XUZZJYLKSA-N 489.440 4.538 5 1 JJBF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1cc([N+](=O)[O-])ccc1[N+](=O)[O-] 963863294 SKYFZYPXWMKKFN-IERDGZPVSA-N 471.466 4.537 5 1 JJBF NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 15937531 FILSDAAUMOPZHF-OAQYLSRUSA-N 472.973 4.658 5 3 JJBF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc([N+](=O)[O-])ccc4N4CCCC4)[nH]c3c2)cc1 587269027 HPGXORBNBOHIIM-UHFFFAOYSA-N 493.545 4.548 5 1 JJBF COc1cc2c(cc1OC)[C@@](C[C@@H]1CCC[C@H]1C(=O)O)(c1cccc([N+](=O)[O-])c1)N(C)[C@H](C)C2 962576466 UJSNRDBCRCZBGH-VGZCVSAKSA-N 468.550 4.623 5 1 JJBF O=C(OCCC1CCCCC1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085451 KMBUAOUFEZXARF-FQEVSTJZSA-N 457.552 4.837 5 1 JJBF CCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[P@@](=O)(O)OCC[N+](C)(C)C 169627579 SUCJIOBGMPMVBJ-MZMPXXGTSA-O 480.603 4.598 5 1 JJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587646878 ACWDWMLJWJDGSR-GGAORHGYSA-N 471.425 4.843 5 1 JJBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nn(Cc2ccc(C)cc2)cc1[N+](=O)[O-] 587862938 MEMOCWGSXQLSBZ-UHFFFAOYSA-N 485.422 4.727 5 1 JJBF COc1cc(OCc2nc3cc(Br)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] 587263594 WARZOABMBWDPHB-UHFFFAOYSA-N 457.078 4.584 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3F)c(O)c2c1 587619994 NKCVZKPANVKIGL-UHFFFAOYSA-N 475.429 4.536 5 1 JJBF COc1ccc([C@@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 73168569 AYIWJIOYWAXMMD-SQJMNOBHSA-N 488.500 4.786 5 1 JJBF O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135993 SXZKSHRTTIYYMO-UHFFFAOYSA-N 485.466 4.991 5 1 JJBF CCCCCOc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br 587259638 GJKNGOGIOAHPSD-RDBSUJKOSA-N 452.349 4.555 5 1 JJBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)[C@H]1C[N+](=O)[O-] 587262171 FMKBWUWLDBRSGV-UGFHNGPFSA-N 492.429 4.634 5 1 JJBF Cc1c(O[C@H](C)[C@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)ccc2c1oc(=O)c1ccccc12 962904447 VTSLNRVDUZATBX-FWYXIZJBSA-N 461.489 4.675 5 1 JJBF COc1cc2c(cc1OC)[C@H](c1ccc3ncccc3c1[N+](=O)[O-])N(C(=O)c1ccccc1N)CC2 963160114 WVIVGKDSSHQZOZ-VWLOTQADSA-N 484.512 4.530 5 1 JJBF O=c1c2cc(Br)ccc2oc2cc(OCCCCCCCO[N+](=O)[O-])cc(O)c12 1857747844 AOSMBJKPYLDBKO-UHFFFAOYSA-N 466.284 4.952 5 1 JJBF O=C(c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCCC1 82214861 XFKLEEPMJYAUNR-UHFFFAOYSA-N 465.941 4.986 5 1 JJBF COC(=O)c1cc(Cl)c2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1 587053918 HNUOODNESQIYBR-MRXNPFEDSA-N 465.293 4.692 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12 587750320 HQXXXWUZFSLTML-DAOPMYJZSA-N 467.294 4.867 5 1 JJBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1 587870721 GYDVZNLHOMEITL-UHFFFAOYSA-N 469.860 4.583 5 1 JJBF O=[N+]([O-])c1cc(Br)cc2c1OCC[C@]21c2cccc(F)c2CCN1[C@H]1CCSC1 962700664 KAIXNFPURRTOEY-QKKBWIMNSA-N 479.371 4.886 5 1 JJBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1ccccc1F 4274983 NGQKWGADKSBWRE-DNQXCXABSA-N 485.512 4.835 5 1 JJBF CC[C@@]1([N+]23CCC(CC2)[C@@H](OC(=O)C2(O)c4ccccc4-c4ccccc42)C3)c2ccsc21 113051962 ZPQPPRUNTBNTLT-NFYYLNSISA-N 458.603 4.784 5 1 JJBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)OCC)CC1)CC2=O 587473395 TWRDDOQCBANBCD-DEOSSOPVSA-N 482.533 4.739 5 1 JJBF CCCCOc1ccc([N+](=O)[O-])cc1[C@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962694882 BXKKXTQOHXFZLE-HKUYNNGSSA-N 456.392 4.620 5 1 JJBF COc1ccc(N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]c2=Nc2ccc(C(F)(F)F)cc2)cc1 1857585807 PIUHYKRCIDHZBG-UHFFFAOYSA-N 455.396 4.896 5 1 JJBF CCN(CC)CCn1nc2c3ccccc3sc3c(NCCN4CCOC4=O)ccc1c32 29322970 OHGGBPLBTQJLPD-UHFFFAOYSA-N 451.596 4.610 5 1 JJBF COC(=O)c1ccccc1Oc1ccc([C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1[N+](=O)[O-] 963613171 UDYFRRSPDYFWOA-ODCWNRFASA-N 478.501 4.815 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])N1CCC2CC1 587748260 SYGYFVGYWLPJLZ-RLOVXOQCSA-N 472.358 4.993 5 1 JJBF O=c1nc(N2CCC(CN3CCCCCC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857766851 ZZJPMWAOXZOEIC-UHFFFAOYSA-N 470.517 4.676 5 1 JJBF CC[C@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 774739 QIJFKNWISNBCLH-LBPRGKRZSA-N 450.278 4.724 5 1 JJBF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 774740 QIJFKNWISNBCLH-GFCCVEGCSA-N 450.278 4.724 5 1 JJBF COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)[C@H]1C2 73168563 QGBHXLYHBPGQEH-RDPSFJRHSA-N 458.474 4.777 5 1 JJBF O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc([N+](=O)[O-])cc5[nH]4)(C3)C1)C2 587087255 CPADJZFLJJQZIJ-CVXASFDDSA-N 474.348 4.873 5 1 JJBF CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(C)cc3)[nH]c3cccc([N+](=O)[O-])c23)n1 587647662 LQXMJQVNTXMZQZ-UHFFFAOYSA-N 462.462 4.591 5 1 JJBF COc1cc2c(cc1OC)[C@](c1cccc(OC(C)=O)c1)(c1cccc([N+](=O)[O-])c1)N(C)[C@@H](C)C2 962628156 GZWQXYNODXWQCT-CBZJRKILSA-N 476.529 4.706 5 1 JJBF O=C(Nc1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1Cc2ccccc2[C@@H](c2cc3cccnc3[nH]2)N1 963012972 HRVZYNQZYXXFEA-SVBPBHIXSA-N 485.547 4.800 5 1 JJBF Cc1cc2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2cc1[N+](=O)[O-] 587007754 OVPGFXAWVCQDGM-UHFFFAOYSA-N 455.268 4.978 5 1 JJBF O=C(O)c1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587576767 POXZHMOIJBMOBU-KCWPFWIISA-N 483.432 4.904 5 1 JJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12/C(=C/c1ccccc1[N+](=O)[O-])N1CCC2CC1 587577382 SECGJPZPKHZFCW-QJGHKKGGSA-N 470.481 4.768 5 1 JJBF COc1cc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC 587748327 UMNVRUVBACTMER-PRWKNARSSA-N 453.308 4.506 5 1 JJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C 587860076 MBOIKSZBEPTWEM-GFCCVEGCSA-N 452.298 4.879 5 1 JJBF CC(C)CNC(=O)c1cccc2nc(-c3ccc(COC(=O)c4ccc([N+](=O)[O-])c(O)c4)cc3)oc12 653834960 JMWIAEXFFNCSEK-UHFFFAOYSA-N 489.484 4.851 5 1 JJBF Cc1ccc(CCNc2ncc(C(=O)N3CCC(C)CC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82135844 JEDDSTQIEFTKOG-UHFFFAOYSA-N 459.550 4.887 5 1 JJBF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)C(=O)OC2 586914846 CQOBJHACODDZKF-NYYWCZLTSA-N 471.897 4.939 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Oc3nn(C)cc3[N+](=O)[O-])c2)N1 587752294 QQKAKSJFYGZASH-NSPYISDASA-N 461.291 4.646 5 1 JJBF O=c1c2cc(Br)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1cccc(O)c1 653887791 DSVSANJXLDHHIY-IZZDOVSWSA-N 464.275 4.932 5 1 JJBF COc1cc2c(cc1OC)[C@@](c1ccc(C)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)N(C)[C@@H](C)C2 962634528 KOAFEWFMBAYWHY-CBZJRKILSA-N 476.529 4.787 5 1 JJBF O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 1553419 MTYMLJSBEPCLGC-ULIRXLGVSA-N 470.655 4.747 5 1 JJBF O=C(c1c2ccccc2cc2ccccc12)N1CCN(C2CCN(C(=O)N3CCCCC3)CC2)CC1 49067954 AJIYJPXBZLJLMQ-UHFFFAOYSA-N 484.644 4.821 5 1 JJBF Fc1ccc(-n2c3c/c(=N\CCN4CCOCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1 95574495 CSSOQHNSPCFHAX-WGPBWIAQSA-N 494.574 4.641 5 1 JJBF C[C@H](C(=O)NN1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)c(F)c1 103200297 FEPGGAGLTYILJF-OWJWWREXSA-N 465.506 4.810 5 1 JJBF C[C@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 26163074 QHNMWCWNYWVMDS-NZQKXSOJSA-N 489.597 4.988 5 1 JJBF CC(=O)Oc1ccc2ccc(=O)oc2c1Cc1c(N(C)C)oc2ccc3ccccc3c2c1=O 101144112 DRBOSTCAUIUZEU-UHFFFAOYSA-N 455.466 4.635 5 1 JJBF O=[N+]([O-])c1cncc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c12 586966025 ZJKCVDQSQVSJIL-UHFFFAOYSA-N 467.898 4.712 5 1 JJBF COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577936 UWUGYOGWLQEBRZ-RDGATRHJSA-N 458.426 4.803 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccco3)c(C(=O)C(F)F)c2c1 587620178 RHLMFLKFCYBUFM-UHFFFAOYSA-N 491.428 4.593 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn2C)N1 587754669 ZYHAIWAIFPYGOY-QKVFXAPYSA-N 472.314 4.690 5 1 JJBF Cc1ccc([N+](=O)[O-])c(O[C@H](CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 28334052 ZUZLFJYQRAAUJT-HSZRJFAPSA-N 452.555 4.677 5 1 JJBF C[C@@](C(=O)O[C@H]1C[N+]2(CCOCCc3ccccc3)CCC1CC2)(c1ccccc1)N1CCCCC1 73167192 RUOCWECVFHBXNS-QKZQWPARSA-N 491.696 4.799 5 1 JJBF O=C(c1cc2c(ccc3ccccc32)oc1=O)c1c(CO)oc2cc(Br)cnc12 587276614 OZRZIXFMZRJKKM-UHFFFAOYSA-N 450.244 4.573 5 1 JJBF COCCc1c(-c2ccc(F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587621626 XNABNUKNPSRHRL-UHFFFAOYSA-N 499.520 4.881 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)N1 587682306 RWGGDHPDWJNCAF-DYBLOJMWSA-N 486.135 4.819 5 1 JJBF Cn1cc([N+](=O)[O-])c(Oc2ccccc2[C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)n1 962955888 MZSBZUUJGDWHRI-NRFANRHFSA-N 488.466 4.880 5 1 JJBF CN1C(=O)C[C@H]2CN[C@@H](c3ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o3)c3cccc1c32 963021419 GXPJCPGOHUHRGU-ZAMGYDSWSA-N 453.882 4.563 5 1 JJBF O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857550292 SXLRCJRTHFTCEE-GPQFNORQSA-N 456.606 4.708 5 1 JJBF CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1 29566197 HHPPQSYWYCSWEN-UHFFFAOYSA-N 476.481 4.963 5 1 JJBF COc1ccc([N+](=O)[O-])c([C@@H]2c3cc(OC)c(OC)cc3CCN2CCOc2ccccc2)c1 40891836 XUURCLJGCPKDLG-SANMLTNESA-N 464.518 4.647 5 1 JJBF Cn1cncc1[C@](O)(c1ccc(C(=O)O)cc1)c1cc2cc([N+](=O)[O-])cc(-c3ccccc3)c2o1 40915248 NLLKMGBGDWKEBJ-AREMUKBSSA-N 469.453 4.724 5 1 JJBF COc1cc(N)c(I)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587178412 BEYVLSXXEWFACF-UHFFFAOYSA-N 467.270 4.522 5 1 JJBF Cc1c(Br)cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1C 587270241 TYLQRJRUDKECRF-UHFFFAOYSA-N 457.328 4.870 5 1 JJBF O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2ccccc2Br)c1O 587937340 QFSFKGMJWCASIH-UHFFFAOYSA-N 454.074 4.989 5 1 JJBF CCc1cc(OCc2ccc3c(-c4nnn[nH]4)cc4ccccc4c(=O)c3c2)c2nc(OC)ccc2n1 13742170 PUAVZJAYZRIZLH-UHFFFAOYSA-N 490.523 4.627 5 1 JJBF CCN(CC)C(=O)[C@@H]1CCCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)C1 101150169 XMHZITDXDSDONG-OAHLLOKOSA-N 495.576 4.590 5 1 JJBF O=c1c2cc(Br)ccc2oc2cc(OCCCCCCO[N+](=O)[O-])cc(O)c12 1857748751 NAXFILMGRZTWQW-UHFFFAOYSA-N 452.257 4.562 5 1 JJBF CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 82195863 CSSRTJGPEXKCSW-NBQZKYEYSA-N 481.018 4.644 5 1 JJBF Cc1c(-c2nc3cccc(I)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980195 QPNKQOZYIAECKE-UHFFFAOYSA-N 458.053 4.814 5 1 JJBF Cc1ccc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c([N+](=O)[O-])c1 587657325 UHLSEHNREUCKJA-CQSZACIVSA-N 465.412 4.666 5 1 JJBF COc1c(NS(=O)(=O)c2cccc3ccccc23)cc2oc3cccc(OC)c3c(=O)c2c1O 1857758051 QZBFCLGSFDIRIK-UHFFFAOYSA-N 477.494 4.623 5 1 JJBF O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1C(=O)c1ccc(O)c(-c2cccc([N+](=O)[O-])c2)c1 45202510 LWPJHJTWXVAWIW-RPBOFIJWSA-N 485.540 4.766 5 1 JJBF CC(C)C[C@H](O)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586900604 HIWXXDXJRHLXSK-NRFANRHFSA-N 458.470 4.924 5 1 JJBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587270023 VCZKNFKDOTXKPA-UHFFFAOYSA-N 460.162 4.524 5 1 JJBF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c1cccc2[N+](=O)[O-] 587574328 FFUHKSRLIOUSPB-KCWPFWIISA-N 465.417 4.750 5 1 JJBF O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccc2c(=O)c3ccccc3oc2c1 13734756 CSCCLEWYKCMFHL-UHFFFAOYSA-N 499.636 4.853 5 1 JJBF COc1cc(Nc2nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3nc2-c2ccccc2)cc(OC)c1OC 40864207 FCYDUGAZFOYVOQ-UHFFFAOYSA-N 477.433 4.883 5 1 JJBF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2)cc1 586930862 IRJTVQWXUNKLST-UHFFFAOYSA-N 456.911 4.925 5 1 JJBF COc1ccc(Cl)c2c1CCN[C@]2(C[C@H]1CCCC[C@H]1C(=O)O)c1cccc([N+](=O)[O-])c1 963257368 IWWWKKYSKWDQEV-HGDBAGAISA-N 458.942 4.927 5 1 JJBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCC[C@@H](C)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 49088496 HAAYACSSCTVICJ-VOIUYBSRSA-N 464.518 4.740 5 1 JJBF O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4049961 YQPZFUXNCUOVEM-FYYLOGMGSA-N 467.884 4.838 5 1 JJBF COc1cc2c3c(c1)O[C@](Cc1ccc(C)cc1)(Cc1cc(OC)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587432704 KYDBKTYAUZJPGQ-CCLHPLFOSA-N 475.497 4.598 5 1 JJBF COc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587745932 IMSIXOFLYOCGRE-QKVFXAPYSA-N 460.303 4.919 5 1 JJBF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4076138 BCVILJFBDNPAFF-ZGJUZXCWSA-N 480.348 4.517 5 1 JJBF Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@H](c1ccccc1[N+](=O)[O-])NC(N)=N2 103238809 FTHOGDBGQGCBAD-QFIPXVFZSA-N 469.530 4.936 5 1 JJBF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCn1ccnc1[N+](=O)[O-] 299836132 MPLVHKDDFCZIJT-UHFFFAOYSA-N 472.864 4.748 5 1 JJBF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(F)F 587722472 YXZUMBHBHKCVKV-UGZDLDLSSA-N 475.261 4.773 5 1 JJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)cc2)nc1C(F)(F)F 587117374 CJNFKBNGEYHHSM-UHFFFAOYSA-N 491.739 4.864 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3nn(C)cc3[N+](=O)[O-])cc2)N1 587749277 DKCNUKUKJFUOEH-NSPYISDASA-N 461.291 4.646 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2N)N1 587749815 ZMCSSUXEOYXVOA-XMHCIUCPSA-N 456.315 4.905 5 1 JJBF COc1ccc(Cn2c(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc3cc([N+](=O)[O-])ccc32)cc1 653912236 XZJDTUPYSPENTB-UHFFFAOYSA-N 499.571 4.611 5 1 JJBF COC(=O)[C@H](CCCCN)N(Cc1ccc(OCc2ccccc2)cc1)Cc1cccc([N+](=O)[O-])c1 26153472 RKOBLFPWCFLASS-MHZLTWQESA-N 491.588 4.847 5 1 JJBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)nn2)c1 587268796 AHPIAVCNSJBTMP-UHFFFAOYSA-N 453.178 4.500 5 1 JJBF O=C(c1ccc(NCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)N1CCC(N2CCCCC2)CC1 299855597 AYCCDTFCQQIVRQ-UHFFFAOYSA-N 456.974 4.951 5 1 JJBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587118374 PKNZGDWCUGTUQZ-UHFFFAOYSA-N 472.143 4.824 5 1 JJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 587576199 NFZIBUHRPAUXNK-YWEHKCAJSA-N 494.459 4.704 5 1 JJBF O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(OCc3ccccc3)cc3cccnc23)cc1F 35000897 LOMFTBJXKWMJEF-UHFFFAOYSA-N 453.451 4.662 5 1 JJBF O=C1C([C@H](c2ccc([N+](=O)[O-])cc2)N2CCOCC2)=C(O)[C@H](c2ccccc2)N1c1ccccc1 102961479 WUCFWPWMJKDQQM-DQEYMECFSA-N 471.513 4.568 5 1 JJBF CC(=O)N1CCN(CCOc2ccccc2C=C2c3ccccc3-c3ccc([N+](=O)[O-])cc32)CC1 1857550590 DAKAWKSIWLJKTL-UHFFFAOYSA-N 469.541 4.707 5 1 JJBF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4208380 VATCJNHYEHVFRY-YYESAEFZSA-N 480.348 4.517 5 1 JJBF COc1ccc(NC(=S)NC(=O)c2ccc3c(c2)Sc2ccccc2O3)c([N+](=O)[O-])c1 5596944 WQOBBGURQULTDJ-UHFFFAOYSA-N 453.501 4.987 5 1 JJBF O=C(c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1 82150060 TWWWRLDAXBQQGN-UHFFFAOYSA-N 465.941 4.986 5 1 JJBF COCCOc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] 587266005 TULYFUNZQWFWTD-UHFFFAOYSA-N 476.205 4.824 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2N)N1 587749496 YSJLHLOYFWEPJR-DMZKTXOQSA-N 456.315 4.905 5 1 JJBF O=C(O)c1ccc(N[C@@H](CC(=O)c2cc3ccccc3oc2=O)c2ccc([N+](=O)[O-])cc2)cc1 103191525 IYWQFMWLBSENKU-NRFANRHFSA-N 458.426 4.826 5 1 JJBF O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccccc1)c1cccc2ccccc12 29230220 RSPAJTRUGCCBJD-VWLOTQADSA-N 454.482 4.833 5 1 JJBF O=[N+]([O-])c1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1[N+](=O)[O-] 587178732 JSKXSMDZHFSSJA-UHFFFAOYSA-N 478.124 4.670 5 1 JJBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587260700 ZEXPTCLWTFIUMC-VNQPRFMTSA-N 472.339 4.565 5 1 JJBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(SC(F)(F)F)cc2[nH]1 587265906 YAVAUZBTCSWTCJ-VXJOIVPMSA-N 457.390 4.525 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3nn(C)cc3[N+](=O)[O-])cc2)N1 587749279 DKCNUKUKJFUOEH-WYRIXSBYSA-N 461.291 4.646 5 1 JJBF Cn1cncc1[C@@](O)(c1ccc(C(=O)O)cc1)c1cc2cc([N+](=O)[O-])cc(-c3ccccc3)c2o1 40915246 NLLKMGBGDWKEBJ-SANMLTNESA-N 469.453 4.724 5 1 JJBF C[C@]1(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330968 CMWRVHNKBGEEDH-AZGAKELHSA-N 478.476 4.550 5 1 JJBF COC(=O)c1ccc(Oc2ccccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c([N+](=O)[O-])c1 587434056 QDDLIRWKFYEQHT-MZNJEOGPSA-N 461.426 4.671 5 1 JJBF CN1CCN(c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4n3Cc3cccc(F)c3)cc2)CC1 653874565 KTPRVYMNUSAGKD-UHFFFAOYSA-N 487.535 4.741 5 1 JJBF CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCn2c([N+](=O)[O-])cnc2C)CC1 26506131 NFEXJIDMMMPCSF-UHFFFAOYSA-N 479.556 4.673 5 1 JJBF Cc1ccc(N2Oc3c(c(O)n(-c4ccc(C(=O)O)cc4)c3O)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 169728033 VMYPYHXKELQTME-NRFANRHFSA-N 473.441 4.707 5 1 JJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)c(O)c2[nH]1 587055331 OTTYLVJDXMGWKM-AWEZNQCLSA-N 467.707 4.720 5 1 JJBF Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)cn1 587934917 KJDLBOVGCPESGE-UHFFFAOYSA-N 455.268 4.627 5 1 JJBF O=C(O)CCCCCCCOc1ccc(NC(=O)c2c(O)nc3cccc([N+](=O)[O-])c3c2O)cc1 13440345 RVAUDRRVJOFJJT-UHFFFAOYSA-N 483.477 4.611 5 1 JJBF Cc1ccc(CCNc2ncc(C(=O)NCc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82135897 VGZBHBQGZSDPST-UHFFFAOYSA-N 467.529 4.945 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(F)cc(Br)c2[nH]1 587265348 WVISANJBMJVHAO-SECBINFHSA-N 452.236 4.724 5 1 JJBF CCOC(=O)c1cccc([C@]2(c3ccc([N+](=O)[O-])cc3)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962731913 UVRAETPVHOEVNU-RDGATRHJSA-N 498.457 4.709 5 1 JJBF Nc1c([C@@]2(c3ccc(Cl)cc3)NCCc3c(C(=O)O)cccc32)oc2cc([N+](=O)[O-])ccc12 963137126 HLSRRRSMGMYLAG-DEOSSOPVSA-N 463.877 4.712 5 1 JJBF O=C1NCc2c1c1c3cc(/C=C/n4ccnc4)ccc3n3c1c1c2c2ccccc2n1C[C@@H](CO)C3 28819593 LMWATYNKYSUDRB-PDFOZTTASA-N 473.536 4.592 5 1 JJBF COc1ccc(-c2nnc(-c3ccc4nc(COc5ccc([N+](=O)[O-])c(OC)c5)[nH]c4c3)o2)cc1 587263072 KDVLOUZOIBDCRR-UHFFFAOYSA-N 473.445 4.784 5 1 JJBF O=[N+]([O-])c1cc(/C=C\c2nc3c(I)cnc(Cl)c3[nH]2)ccc1Cl 587047487 ITGFRVZFCFNSMZ-RQOWECAXSA-N 461.046 4.948 5 1 JJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587171154 KXBFBIGCVUFVGU-UHFFFAOYSA-N 491.298 4.841 5 1 JJBF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1OC 587056065 GYCPTEMQZKVFTG-UHFFFAOYSA-N 497.851 4.969 5 1 JJBF CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332246 FRHOKIKZVXTJTD-AOYPEHQESA-N 479.460 4.733 5 1 JJBF COc1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1OCC(=O)Nc1ccc(Br)cc1 586995760 OAHNCUAIYAPDJO-UHFFFAOYSA-N 497.305 4.927 5 1 JJBF Cc1onc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079815 OMFUXZBOSUHFPK-UHFFFAOYSA-N 462.853 4.564 5 1 JJBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21 587470554 LASQNWJWBNIWBO-SANMLTNESA-N 458.470 4.660 5 1 JJBF Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567663 IPDJINIZCLKYOQ-ZEQKJWHPSA-N 472.428 4.927 5 1 JJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O 587647577 JIIOHNXBOKVHFK-DHIUTWEWSA-N 471.425 4.843 5 1 JJBF C[C@@](O)(CSc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857609906 BDFKHTPDCUOAEX-MRXNPFEDSA-N 484.374 4.994 5 1 JJBF COC(=O)c1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c(F)c1Nc1ccccc1 587269423 NKVJOMOHZGYNJM-UHFFFAOYSA-N 464.409 4.532 5 1 JJBF CCN(CC)c1ccc(-c2nn(C(=O)c3ccc([N+](=O)[O-])c(C)c3)c(=O)c3ccccc23)c(O)c1 587664824 JQFMYZLRYJNHOH-UHFFFAOYSA-N 472.501 4.520 5 1 JJBF COc1ccc(C(=O)Nc2cccc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])o4)n3)c2)cc1 653858593 BEPUHLINZMQPDG-UHFFFAOYSA-N 464.459 4.825 5 1 JJBF COc1ccc(CCNc2ncc(C(=O)N3CCC(C)CC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82135843 XZSCXODXCMIQDX-UHFFFAOYSA-N 475.549 4.587 5 1 JJBF CN1C(=O)C[C@H]2CN[C@H](c3ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o3)c3cccc1c32 963021416 GXPJCPGOHUHRGU-NPMABZOXSA-N 453.882 4.563 5 1 JJBF Nc1c([C@]2(c3ccc(Cl)cc3)NCCc3c(C(=O)O)cccc32)oc2cc([N+](=O)[O-])ccc12 963137128 HLSRRRSMGMYLAG-XMMPIXPASA-N 463.877 4.712 5 1 JJBF O=[N+]([O-])c1ccccc1S(=O)(=O)n1c(CCc2ccccn2)nc2cc(Cl)c(Cl)cc21 26506047 URJIWHHBRVXSAJ-UHFFFAOYSA-N 477.329 4.669 5 1 JJBF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587431814 HBKZORSWUQWXPS-RXFWQSSRSA-N 453.454 4.945 5 1 JJBF CC(=O)c1ccc(NCC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 653726377 IDXCLYNESCMNJS-XMMPIXPASA-N 460.465 4.726 5 1 JJBF O=[N+]([O-])c1cc(-n2c(O)c3c(c2O)CCCC3)ccc1NC1CCN(Cc2ccccc2)CC1 169687975 VOAPOOUJCGUHNC-UHFFFAOYSA-N 462.550 4.752 5 1 JJBF CCCCNC[C@H](O)COc1cc(OCc2ccccc2)c2c(=O)c3cccc(OC)c3oc2c1 1772603326 NTEAKDUPEHEKIV-FQEVSTJZSA-N 477.557 4.663 5 1 JJBF CCOC(=O)C1=C(c2ccccc2)Oc2nc3c(c(N)c2[C@H]1c1cccc([N+](=O)[O-])c1)CCCC3 1772652877 YQLOICCICWDZNG-OAQYLSRUSA-N 471.513 4.950 5 1 JJBF COc1ccc(OC(C)(C)[C@H]2OC[C@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 27748227 WPGZXQCLJIYEMI-DHSFWIDPSA-N 486.521 4.697 5 1 JJBF Cc1ccc([N+](=O)[O-])cc1O[C@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C 28340722 JRFQTIHUIBASJA-HSZRJFAPSA-N 452.555 4.677 5 1 JJBF CCOC(=O)NC1=NC(C)(C)N(OCc2cccc3c2ccc2ccccc23)C(NC(=O)OCC)=N1 45229405 VCWJEQXIHNXLQA-UHFFFAOYSA-N 491.548 4.681 5 1 JJBF O=C(O)c1nc2ccc(I)cc2c2[nH]c3c(Br)cccc3c12 230506632 WYQPGNJIFZHADC-UHFFFAOYSA-N 467.060 4.935 5 1 JJBF in-vitro CC(C)C[C@@]1(c2ccc([N+](=O)[O-])cc2)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963137098 HHEUJYRHYZXNQE-VGOFRKELSA-N 461.540 4.587 5 1 JJBF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1cc([N+](=O)[O-])ccc1[N+](=O)[O-] 963863295 SKYFZYPXWMKKFN-IIBYNOLFSA-N 471.466 4.537 5 1 JJBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 587000006 JDSLYOCCYBVTAU-DAFODLJHSA-N 481.100 4.938 5 1 JJBF Cc1nn(Cc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c(C)c1[N+](=O)[O-] 587748462 UWDVQPUHFLCIFQ-OVWNDWIMSA-N 463.307 4.575 5 1 JJBF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 774186 UVIMEJOUBQPPDI-UGSOOPFHSA-N 473.913 4.716 5 1 JJBF CC(C)(Oc1ccc(F)cc1[N+](=O)[O-])[C@@H]1OC[C@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 36242258 POJITNLXQREAAG-BTLYFXQBSA-N 474.485 4.828 5 1 JJBF O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 773452 UCAUYRDSEDDJPD-AEFFLSMTSA-N 459.861 4.743 5 1 JJBF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 148953349 PAFOUZZYRDFTLJ-QHCPKHFHSA-N 481.593 4.653 5 1 JJBF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 586952837 IJUFKDJNTSRIIB-UHFFFAOYSA-N 458.528 4.584 5 1 JJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Br)ncc(F)c4[nH]3)cc2)nc1C(F)(F)F 587117954 HYNVLWOZWNVPSW-UHFFFAOYSA-N 485.195 4.698 5 1 JJBF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](Cc2ccccc2[N+](=O)[O-])(C2CC2)N1 963185012 JZEVAAJVCOBQAH-XLIONFOSSA-N 454.832 4.714 5 1 JJBF Cc1cccc2c1[C@@H](c1cc(F)c([N+](=O)[O-])c(F)c1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863067 NFMBDDQYMDVNNY-FOIQADDNSA-N 462.449 4.907 5 1 JJBF CCN(CC)CCCNc1ccnc2c1ccc1c2ccc2c(NCCN3CCOCC3)ccnc21 1857611889 WVSGJNXDKMJZQS-UHFFFAOYSA-N 486.664 4.824 5 1 JJBF CCc1c(Cc2cccc(Br)c2)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O 40409108 JIQVREMSIGXFTI-UHFFFAOYSA-N 460.353 4.886 5 1 JJBF COc1ccccc1CCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82136036 WREWPBWCPLCNMZ-RTBURBONSA-N 489.576 4.515 5 1 JJBF CC1CCN(c2ccc([N+](=O)[O-])c([C@@]3(C)N[C@@H](C(=O)O)Cc4c(C(F)(F)F)cc(F)cc43)c2)CC1 962701840 KQDBWHYRWSWGSF-OFNKIYASSA-N 495.473 4.851 5 1 JJBF O=C(c1cc(Br)cc([N+](=O)[O-])c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587653102 CPPKEEDTACSQSO-UHFFFAOYSA-N 486.228 4.701 5 1 JJBF Cc1nn(Cc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c(C)c1[N+](=O)[O-] 587749840 ZSJQVMCAXUFOHZ-GIGQVBGESA-N 463.307 4.575 5 1 JJBF CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=S)S[C@H](C[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1857768852 VNZUZDAOASLLJQ-HRCADAONSA-N 491.557 4.735 5 1 JJBF CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 587142323 UWEODFFHBDYPSL-LRDDRELGSA-N 477.880 4.788 5 1 JJBF O=C1c2ccc(O)cc2O[C@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587343488 UBANKLZCEORGMW-ILBGXUMGSA-N 459.433 4.591 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12 587753321 VAXVZGWFROIKLE-DAOPMYJZSA-N 467.294 4.867 5 1 JJBF CN(CC(=O)Nc1ccc(N2CCSCC2)c([N+](=O)[O-])c1)C(=O)c1ccc(-c2ccccc2)cc1 40412193 TUYNZLREPSCMCV-UHFFFAOYSA-N 490.585 4.526 5 1 JJBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCCCc2ccc(OC)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 169723583 OKKUKHGCYSTZHB-UKILVPOCSA-N 494.544 4.791 5 1 JJBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1 587270815 QMYSTPBCBHXIQV-UHFFFAOYSA-N 452.474 4.587 5 1 JJBF COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCc2ccccc2F)cc1 774328 SMMZPAHDCJGLTM-UHFFFAOYSA-N 491.431 4.723 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc([N+](=O)[O-])c[nH]2)(C(Cl)(Cl)Cl)N1 587688312 LFDIKGLPQLODFF-WJWGPLDTSA-N 471.541 4.973 5 1 JJBF O=C1N[C@@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc([N+](=O)[O-])cc1 82158303 CEFDICGJZNUGAH-KDYSTLNUSA-N 480.480 4.705 5 1 JJBF O=[N+]([O-])c1cc(Br)cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 587003703 WQLSAGLTRRKUPF-UHFFFAOYSA-N 465.105 4.589 5 1 JJBF C[C@@](C(=O)O[C@H]1C[N+]2(CCC3=C[C@@H]4CCO[C@H]4C=C3)CCC1CC2)(c1ccccc1)N1CCCCC1 73161791 AIMRQTXCPBQWFD-SGPASRQYSA-N 491.696 4.831 5 1 JJBF O=C1C([C@@H](c2ccc([N+](=O)[O-])cc2)N2CCOCC2)=C(O)[C@H](c2ccccc2)N1c1ccccc1 102961471 WUCFWPWMJKDQQM-RPBOFIJWSA-N 471.513 4.568 5 1 JJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(C(=O)c2ccccc2)CCN1C3 72111364 JJZRYOCBLUEVDI-FQEVSTJZSA-N 482.580 4.902 5 1 JJBF Cc1oc(-c2cnc(N3CCC(O)CC3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 82163698 BLMRBUPFVOPTHT-UHFFFAOYSA-N 457.490 4.643 5 1 JJBF COc1c([N+](=O)[O-])ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F 587714551 GETATTOPKMRDAW-GLEZIHRCSA-N 461.234 4.730 5 1 JJBF O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 775036 ZBIFDCUKQSWLGR-SJLPKXTDSA-N 459.861 4.743 5 1 JJBF O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ncnc3ccc([N+](=O)[O-])cc23)CC1 13538343 CJDWXZXUHOXUIP-UHFFFAOYSA-N 470.489 4.684 5 1 JJBF CCC(CC)Nc1ccc([C@H](CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] 15936220 WGMMQVSUTZGMCC-QHCPKHFHSA-N 462.550 4.624 5 3 JJBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587159185 LRCPZHKKOGDHRF-UHFFFAOYSA-N 450.142 4.850 5 1 JJBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2cccc([N+](=O)[O-])c2)o1 587867769 AFXALZNXBHEMDJ-UHFFFAOYSA-N 488.378 4.741 5 1 JJBF O=[N+]([O-])c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 1857544226 XFFVMBYEMXWPBG-UHFFFAOYSA-N 485.325 4.715 5 1 JJBF COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)O2 34025571 OASYWNFOHKQIGI-RRPNLBNLSA-N 489.524 4.560 5 1 JJBF biogenic COc1ccc2c(c1OC)[C@]13CC[N+](C)(C)[C@H](C2)[C@]12C=C[C@]1(OC)[C@H]3N=C(c3ccccc3)[C@]1(C)C2 43120378 DOHPOTFCTOJIQG-VPESPYTFSA-N 485.648 4.569 5 1 JJBF Cc1cc([N+](=O)[O-])cc(Cl)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl 103285332 ZMOJGRNYKKAJMM-UHFFFAOYSA-N 471.098 4.806 5 1 JJBF CCOC(=O)c1cnn(-c2ccc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)cc2)c1C(F)(F)F 587114799 HXYFPOVJVMPZAA-UHFFFAOYSA-N 463.347 4.658 5 1 JJBF CSc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] 587407646 BFZZLMNHQYZNTB-DEOSSOPVSA-N 464.499 4.815 5 1 JJBF COc1cc([C@]2(C)c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 963840475 AGESCEAHAOOQFS-IQGLISFBSA-N 470.522 4.812 5 1 JJBF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 774183 UVIMEJOUBQPPDI-FZKQIMNGSA-N 473.913 4.716 5 1 JJBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215940 LURFVRBJUISGIF-IGKWTDBASA-N 487.984 4.982 5 1 JJBF O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN1C(=O)c1ccc(O)c(-c2cccc([N+](=O)[O-])c2)c1 45202508 LWPJHJTWXVAWIW-DQEYMECFSA-N 485.540 4.766 5 1 JJBF O=C(c1cc(-c2c(O)c([N+](=O)[O-])cc(F)c2[N+](=O)[O-])cc([N+](=O)[O-])c1O)[C@H]1CCc2ccccc21 96273549 GHKYENVSFWUIAZ-ZDUSSCGKSA-N 483.364 4.541 5 1 JJBF O=C1C[C@H](Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c2c(Br)cccc2O1 587002037 SFXMXIDXXAKBMA-QMMMGPOBSA-N 481.100 4.632 5 1 JJBF N=C=C(C(=N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 169717999 GSWNOYJONWBEHP-OAQYLSRUSA-N 463.475 4.568 5 1 JJBF O=C(C[C@H](NC(=O)OCc1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1)OCc1ccccc1 587204536 ZSBAINKDJCXZAO-FQEVSTJZSA-N 474.473 4.572 5 1 JJBF Cc1nn(Cc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c(C)c1[N+](=O)[O-] 587748461 UWDVQPUHFLCIFQ-GIGQVBGESA-N 463.307 4.575 5 1 JJBF COc1cc2c(cc1OC)[C@@](c1ccc(C)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)N(C)[C@H](C)C2 962634553 KOAFEWFMBAYWHY-XGCWNURASA-N 476.529 4.787 5 1 JJBF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 773623 WYKKQFIOLZUIIN-SJKOYZFVSA-N 461.877 4.846 5 1 JJBF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82135342 HWVUTVTWKSDKMS-QZTJIDSGSA-N 451.571 4.939 5 1 JJBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCC[C@H](C)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 169723581 OQSUXEGRTNTNEG-UIDQEFQQSA-N 464.518 4.953 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2nn(C)cc2[N+](=O)[O-])N1 587754621 ZJSHBXVTVVLJPX-WLRWDXFRSA-N 461.291 4.646 5 1 JJBF Cc1c(O[C@H](C)[C@@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)ccc2c1oc(=O)c1ccccc12 962904431 VTSLNRVDUZATBX-BIAONLRJSA-N 461.489 4.675 5 1 JJBF COc1cc(-c2cc(=O)c3cc(OC)c4c(OC)ccc(OC)c4c3o2)cc(OC)c1OC 299855586 BMZCCFRPPMUBRY-UHFFFAOYSA-N 452.459 4.665 5 1 JJBF CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3cc4c5c(cccc5n3)CC4)c2)CC1 587211615 UTGLYGFEGKGVIG-UHFFFAOYSA-N 460.534 4.966 5 1 JJBF O=c1cc(Cn2cc(COc3ccc(Br)cc3)nn2)c2c(ccc3ccccc32)o1 653767943 CLHBEWRWUDPVGT-UHFFFAOYSA-N 462.303 4.928 5 1 JJBF Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(NC3CCCCCC3)c([N+](=O)[O-])c2)c1 13878849 LDDOBEKETUTSAK-JOCHJYFZSA-N 452.555 4.693 5 3 JJBF O=C(O)c1ccc([N+](=O)[O-])cc1Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1 96258069 MMFRNSZCHVICGH-UHFFFAOYSA-N 453.863 4.797 5 1 JJBF Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@]1(C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963228255 OGPKMRIFXLMYAK-AFMDSPMNSA-N 492.532 4.828 5 1 JJBF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1I 587508439 VVTMUDXRLFSSGW-QGZVFWFLSA-N 479.270 4.793 5 1 JJBF COc1cc(Cc2[nH]c3ccc(S(C)(=O)=O)cc3c2-c2ccc(C)cc2)cc([N+](=O)[O-])c1O 587650801 TUXRQDKLNUNSNQ-UHFFFAOYSA-N 466.515 4.760 5 1 JJBF CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 775848 GGZGIJRGKFLVRA-UHFFFAOYSA-N 481.505 4.647 5 1 JJBF COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587747078 LRXCKEHQZGBZHJ-XUSGNXJCSA-N 460.303 4.919 5 1 JJBF CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@H]1c1cccc(Cl)c1Cl 1772577131 UEGSGOGMURBTEH-KRWDZBQOSA-N 481.339 4.930 5 1 JJBF O=c1nc(N2C[C@H]3CC[C@H]2CN3CC2CCCCC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857610603 LAKIRFAPFJPLIR-CVEARBPZSA-N 482.528 4.817 5 1 JJBF CCOC(=O)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1 587117750 GCGFDDLMDUIJBJ-UHFFFAOYSA-N 459.384 4.578 5 1 JJBF O=C(Nc1nc(-c2cccc(NS(=O)(=O)Cc3ccccc3)c2)cs1)c1ccc([N+](=O)[O-])o1 653861030 DEWLTVWBBOVXIH-UHFFFAOYSA-N 484.515 4.506 5 1 JJBF COc1ccc(CCC[N+]23CCC(CC2)[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C3)cc1 1857596830 YXXULFOTUBYFOD-KJUSFPLJSA-N 486.632 4.716 5 1 JJBF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(-c3ccc([N+](=O)[O-])cc3)c2c1 43120082 KORHSVLODADIEU-UHFFFAOYSA-N 462.458 4.804 5 1 JJBF O=C1c2ccccc2[C@](OC/C=C/CO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 117265284 ZSXCWVPXSODIRG-YMBOSHGCSA-N 464.905 4.670 5 1 JJBF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NCCNc3ccc(C[N+](=O)[O-])cn3)CC[C@H]12 150338628 DIUNUIFNQPGKAT-ZFGIHPCWSA-N 464.610 4.793 5 1 JJBF aggregator CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)cs2)cc1 587014111 KVFMFXAOHFCODS-UHFFFAOYSA-N 452.496 4.927 5 1 JJBF COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587749872 ZVUHQQHDPHOFBZ-XUSGNXJCSA-N 460.303 4.919 5 1 JJBF COc1ccc(C(=O)Oc2c(OC)ccc3c2c[n+]2c4c3ccc3c5c(cc(c34)CC2)OCO5)cc1 96937415 UNMLZOWDFLLXSD-UHFFFAOYSA-N 480.496 4.955 5 1 JJBF NC(=O)c1cc(N2CCC(c3nc4ccc(SC(F)(F)F)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262876 GDRZVMPESGGMOR-UHFFFAOYSA-N 465.457 4.566 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn2C)N1 587754668 ZYHAIWAIFPYGOY-LAJNKCICSA-N 472.314 4.690 5 1 JJBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587946377 XAVKFAISQGDOSZ-UHFFFAOYSA-N 456.405 4.746 5 1 JJBF COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC 775972 BOVQIHUYWCBQBA-UHFFFAOYSA-N 471.485 4.676 5 1 JJBF COc1ccccc1CCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149931 DIVYPHPBJMUAQQ-KDURUIRLSA-N 489.576 4.833 5 1 JJBF COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587748422 URDMXFOHURNSLX-XUSGNXJCSA-N 460.303 4.919 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2nn(C)cc2[N+](=O)[O-])N1 587754619 ZJSHBXVTVVLJPX-JEOXALJRSA-N 461.291 4.646 5 1 JJBF O=C(O[C@@H]1C[N+]2(CCCc3cccc(F)c3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857538960 WFNJQDOBZMZPFU-WAVDKVAFSA-N 474.596 4.847 5 1 JJBF O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 767068 YQPZFUXNCUOVEM-JTHBVZDNSA-N 467.884 4.838 5 1 JJBF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@H](c2nc3ccccc3c3ncccc23)N1 962926049 SPXFXAWHQGAVON-IGKIAQTJSA-N 463.493 4.969 5 1 JJBF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 775210 FPGVWPIGHJMWAZ-YVEFUNNKSA-N 461.877 4.846 5 1 JJBF O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ncnc3cc([N+](=O)[O-])ccc23)CC1 13538359 HNFOSLHDXLGYAL-UHFFFAOYSA-N 470.489 4.684 5 1 JJBF CCN1C(=O)C[C@@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccccc1Cl 587062104 SPVMLFYAYUGVPX-XIKOKIGWSA-N 463.719 4.964 5 1 JJBF CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3ccccc3nc2Cl)S1)c1ccc([N+](=O)[O-])cc1 72107282 NTKPGYDLHBRSQF-HXUWFJFHSA-N 469.910 4.714 5 1 JJBF CSc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(Nc3ccccc3)n(-c3ccccc3)c(=O)c12 95577848 YVOPUBDCCLRCPO-UHFFFAOYSA-N 470.514 4.945 5 1 JJBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587116891 DTCHBPMNJXLAKC-UHFFFAOYSA-N 472.143 4.824 5 1 JJBF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@@H](c1csc([N+](=O)[O-])c1)N2C(=O)OC(C)(C)C 962715336 PTINTNNEWVVVKZ-XMSQKQJNSA-N 462.499 4.536 5 1 JJBF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 774184 UVIMEJOUBQPPDI-SCLBCKFNSA-N 473.913 4.716 5 1 JJBF COc1cc2ncc3c(N)nc(-c4cncc(OC[C@@H](N)Cc5ccc(F)cc5)c4)cc3c2cc1OC 49089587 OBAJYVJLNXGBOG-IBGZPJMESA-N 499.546 4.532 5 1 JJBF O=C([C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 66139801 FOXGQXZERCDEII-QFIPXVFZSA-N 477.392 4.605 5 1 JJBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC/C=C/c1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)C2 72123443 DNQCENQMHBLTIQ-SNDJDQCESA-N 461.396 4.848 5 1 JJBF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc([N+](=O)[O-])c3cccnc23)N1C(=O)c1ccccc1 963412593 DWIJEYVJMQUULA-JYFHCDHNSA-N 492.491 4.865 5 1 JJBF CO/N=c1/ssc(-c2cc(OC)c(OC)c(OC)c2)c1-c1ccc(OC)c([N+](=O)[O-])c1 1772648359 LQMPMUSHXMVLIF-QZQOTICOSA-N 464.521 4.548 5 1 JJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(F)cnc(Br)c2[nH]1 587053121 BKKDPPPTJOVRIM-GFCCVEGCSA-N 470.686 4.548 5 1 JJBF CC(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341448 JKDQCXZGKHVLBZ-JYFHCDHNSA-N 478.476 4.623 5 1 JJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 587610279 BJJWADSTONYBBG-NZQKXSOJSA-N 473.466 4.945 5 1 JJBF O=[N+]([O-])c1ccc(-c2nc3sc(C(F)(F)F)nn3c2/C=C2\SC(=S)N=C2O)cc1 73297633 IWXGMFFYDSWMOD-UITAMQMPSA-N 457.440 4.714 5 1 JJBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149766 XHOYDPCEXVMRQI-RDGPPVDQSA-N 451.571 4.652 5 1 JJBF O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN1C(=O)c1ccc(O)c(-c2cccc([N+](=O)[O-])c2)c1 206899375 LWPJHJTWXVAWIW-LOSJGSFVSA-N 485.540 4.766 5 1 JJBF COc1cc2oc3cc(OC)c(OC)c(C=CC(C)(C)O)c3c(=O)c2c(O)c1CC=C(C)C 2356678777 SPRXFHBMQQEVDG-UHFFFAOYSA-N 454.519 4.970 5 1 JJBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215825 QEYQRMVBJZROEN-XNKDMPNBSA-N 453.967 4.785 5 1 JJBF CC[C@@H](C)n1ncc(I)c1-c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 587181011 LELLSKDCFHAMIK-SSDOTTSWSA-N 490.099 4.673 5 1 JJBF COc1ccc2c(c1OC)[C@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1F)N(C)[C@@H](C)C2 962615717 AFUFYGGBLDCCCX-ODCWNRFASA-N 451.498 4.502 5 1 JJBF CC(=N)N1CCC(Oc2ccc(NCc3cccc(-c4cccc(C(=N)N)c4)c3)cc2[N+](=O)[O-])CC1 13441102 XZUDLMLPCQEKES-UHFFFAOYSA-N 486.576 4.998 5 1 JJBF CN(CCCNc1ccnc2cc(Cl)ccc12)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 35190815 SSGBERKKSKOIMI-UHFFFAOYSA-N 469.350 4.573 5 1 JJBF O=C([C@@H]1CCCCN1Cc1cccc(Cl)c1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 66148783 KLDKTKSMXWACNX-NRFANRHFSA-N 477.392 4.605 5 1 JJBF O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2c1 586956281 DAUHHPITTBNTSO-UHFFFAOYSA-N 454.895 4.543 5 1 JJBF Cc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123667 FURUCFRZBYKTRA-UHFFFAOYSA-N 457.437 4.896 5 1 JJBF C[C@](O)(CSc1cc(C(F)(F)F)ccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857615704 DOYCDSAYUMGNRS-HNNXBMFYSA-N 469.363 4.509 5 1 JJBF CCc1c(Cc2ccccc2Br)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O 40900115 ANVBHMWRZWMPRF-UHFFFAOYSA-N 460.353 4.886 5 1 JJBF COc1cc2nc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc(NCCC(C)(C)C)c2cc1OC 82128897 OZQXIJUFYNODGA-UHFFFAOYSA-N 494.596 4.730 5 1 JJBF CCCCOc1ccc(C[N+]2(C)[C@H]3CC[C@@H]2C[C@@H](OC(=O)[C@H](CO)c2ccccc2)C3)cc1 100377793 ALVDDLOWVXJXCD-JZDGNOGPSA-N 452.615 4.825 5 1 JJBF in-man C[C@H](CS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857560867 QRBKQXWSQAOOLP-SNVBAGLBSA-N 484.374 4.681 5 1 JJBF C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccccc3F)CCC1CC2)(c1cccs1)N1CCCCC1 68197060 RAWSDFNXZQJMDA-XRFQPOIASA-N 471.662 4.983 5 1 JJBF COc1cc(OCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)ccc1[N+](=O)[O-] 587261618 FHOZIAPGTWRRSJ-UHFFFAOYSA-N 488.909 4.513 5 1 JJBF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587421973 OKWZFXHHYQMUDQ-XDHUDOTRSA-N 465.845 4.646 5 1 JJBF CCOc1ccc(-c2nn(C(=O)c3cccc([N+](=O)[O-])c3C)c(=O)c3ccccc23)cc1OCC 587670429 YLTNHKHIMCYRNY-UHFFFAOYSA-N 473.485 4.766 5 1 JJBF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC(F)F 587712462 AZQZXKBYEYNYIU-CQLKUDPESA-N 461.234 4.730 5 1 JJBF CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)N[C@@H](CO)Cc1ccccc1 775799 JTVPAMRPZNROJR-MRXNPFEDSA-N 457.914 4.534 5 1 JJBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214689 WDDNEAFBZWZQKA-MBPVOVBZSA-N 451.951 4.682 5 1 JJBF CCOc1ccccc1Sc1ccc(-c2ccnc(N3CCN(C(C)=O)CC3)c2)cc1[N+](=O)[O-] 16051394 GKGJFUXSTSUKPB-UHFFFAOYSA-N 478.574 4.875 5 1 JJBF in-vivo C[C@@]1(c2cc(Br)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540524 PEGRXYODDSCZEG-RXVVDRJESA-N 456.248 4.940 5 1 JJBF N=C1S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 98084538 GVMPFSNAYGVKTQ-FJUUSQFESA-N 453.461 4.682 5 1 JJBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587264053 JMLALJAUBQTZKT-NZFNHWASSA-N 459.768 4.586 5 1 JJBF CN1C(=O)O[C@@H]2[C@H]1C[C@H]1O[C@]2(C)n2c3ccccc3c3c4c(c5c6ccccc6n1c5c32)C(=O)NC4 13370101 UDXCOJMLJPAVLF-HQFKMNNBSA-N 478.508 4.570 5 1 JJBF CC(C)(C)OC(=O)Nc1ccc(Nc2ncnc(Nc3ccc(C(=N)N)cc3)c2[N+](=O)[O-])cc1 473144422 ATBDZWLXTLSQCB-UHFFFAOYSA-N 464.486 4.503 5 1 JJBF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586939559 WKSSGHQDHWLBGC-GOSISDBHSA-N 465.966 4.988 5 1 JJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc3ncccc3c2[nH]1 586948267 FYDYILJXIQOAIB-UHFFFAOYSA-N 459.487 4.796 5 1 JJBF O=C1C[C@@H](Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c2c(Br)cccc2O1 587002036 SFXMXIDXXAKBMA-MRVPVSSYSA-N 481.100 4.632 5 1 JJBF COc1cc2c(cc1OC)[C@H](c1ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc1)N(C)[C@H](C)C2 962577185 XWERCEONXDDFSS-CPJLOUKISA-N 462.502 4.797 5 1 JJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587170112 ITRJHXCPBCKOPB-UHFFFAOYSA-N 497.327 4.902 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)N1 587685105 XKXMEJXAICOTDA-NIVTXAMTSA-N 470.136 4.983 5 1 JJBF COC(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587434416 UWKDLJLPRUTHSZ-DVECYGJZSA-N 461.426 4.671 5 1 JJBF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(CCCC[C@H]2c2sc([N+](=O)[O-])cc2[N+](=O)[O-])N1 962961779 HCGWQWFPWOHWRT-HTRDADJGSA-N 487.868 4.648 5 1 JJBF O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)c1ccccc1)c1ccc([N+](=O)[O-])cc1Br 72177303 LCKDCKALURNYSE-HNENSFHCSA-N 492.757 4.707 5 1 JJBF CCc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 84687693 GMITTXRKDVNPGH-IQMFZBJNSA-N 491.635 4.725 5 1 JJBF CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC1 587091681 MJEFOKNNZRUUHS-UHFFFAOYSA-N 478.855 4.930 5 1 JJBF O=[N+]([O-])c1ccc(-[n+]2nc(-c3ccc(OCc4ccccc4)cc3)nn2-c2ccccc2)cc1 29130334 GAZWSWILMZGARP-UHFFFAOYSA-N 450.478 4.698 5 1 JJBF C[C@]1(c2cccc(Br)c2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539366 IDJSJMAVLAYAFT-LAUBAEHRSA-N 456.248 4.940 5 1 JJBF CCC[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 653729544 BEIQSAXXWHREFS-INIZCTEOSA-N 485.996 4.624 5 1 JJBF CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)OC[C@@H](O)C[N+](C)(C)C[C@H]4CO4)CCC[C@]3(C)[C@H]2CC1 299841359 ZJYYTABHXNZXLL-PPWHXMARSA-N 460.679 4.501 5 1 JJBF CCOC(=O)CCCCC[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962729304 HUOPWIAGOHCNSX-QPPBQGQZSA-N 492.494 4.998 5 1 JJBF COc1ccc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1COc1ccc(C)cc1[N+](=O)[O-] 963031900 RSJMAENBXIFODV-XRHLQHRESA-N 473.529 4.634 5 1 JJBF COc1cc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H](C)C(C)C)c([N+](=O)[O-])cc1OC 775335 GNLRWEAGGRZNMM-ZDUSSCGKSA-N 457.458 4.847 5 1 JJBF C[C@@](C(=O)O[C@H]1C[N+]2(CCc3cccc(F)c3)CCC1CC2)(c1ccccc1)N1CCCCC1 73161192 ACGBRZCIFNWBLV-NNMXADRKSA-N 465.633 4.922 5 1 JJBF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 114101004 UHOOZFUAJINBBU-HSZRJFAPSA-N 481.593 4.653 5 1 JJBF COc1cc2c(cc1OC)[C@H](c1ccc([N+](=O)[O-])c3cccnc13)N(C(=O)c1ccccc1N)CC2 963134714 BJFGHCXGSMBNIY-SANMLTNESA-N 484.512 4.530 5 1 JJBF C[C@@H]1CCCCN1CC1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 1857652029 HTGIZXVZRITILO-CYBMUJFWSA-N 470.517 4.674 5 1 JJBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(Br)ccc(Br)c2[nH]1 587116916 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O=C1CC2(Oc3c1ccc1c3CCCC1)c1cccc([N+](=O)[O-])c1C(=O)c1c([N+](=O)[O-])cccc12 587513812 UPNAITAKFGQVMA-UHFFFAOYSA-N 470.437 4.835 5 1 JJBF CN(C)CCCN=c1c2ccccc2n(C)c2c1oc1ccc(OCC[N+]3(C)CCCCC3)cc12 1772601355 HOADTJLBVGDARV-UHFFFAOYSA-N 475.657 4.939 5 1 JJBF COc1ccc2c3ccc4c5c(cc6c4c3n(cc-2c1=NC(=O)c1c(C)noc1C)CC6)OCO5 1857536780 NHADSQHESVAIKR-UHFFFAOYSA-N 467.481 4.539 5 1 JJBF CCN(CC)CCn1nc2c3cc(OC)ccc3sc3c(NCCN4CCOC4=O)ccc1c32 29324185 HXRDUTLMMNRZOC-UHFFFAOYSA-N 481.622 4.619 5 1 JJBF Nc1cccc(O)c1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587250380 NVPCHCXPSGPNEM-UHFFFAOYSA-N 479.448 4.800 5 1 JJBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1 587263292 QSOSXIYKXJOARO-UHFFFAOYSA-N 486.937 4.855 5 1 JJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o1)CC2=O 587461604 XTVSPWODEBHUQT-GOSISDBHSA-N 476.283 4.560 5 1 JJBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1nn(COc2ccccc2F)cc1Cl 587946206 RPXXXPJKIHCECI-ZDUSSCGKSA-N 452.870 4.638 5 1 JJBF COc1ccc(Cl)cc1NCC[C@]1(c2ccc([N+](=O)[O-])cc2)NCCc2c(C(=O)O)cccc21 963121043 IPAMVEKAKHMWGG-RUZDIDTESA-N 481.936 4.847 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3nn(C)cc3[N+](=O)[O-])cc2)N1 587749278 DKCNUKUKJFUOEH-WLRWDXFRSA-N 461.291 4.646 5 1 JJBF CCN(CC)CCn1nc2c3ccccc3n(CCN(CC)CC)c3c([N+](=O)[O-])ccc1c23 27106879 NSOBJCFSIMWAST-UHFFFAOYSA-N 450.587 4.736 5 1 JJBF COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc(F)cc3)[C@@H]1C2 73168544 AKVFJZDNQJRQLL-YKSBVNFPSA-N 476.464 4.917 5 1 JJBF O=C(NCCc1cccc(F)c1)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 82135848 PXEYTOTXZUFLQY-UHFFFAOYSA-N 471.492 4.776 5 1 JJBF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1nccn1Cc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587434286 SIXKNWDWBIJLGG-DWACAAAGSA-N 481.508 4.848 5 1 JJBF Cc1[nH]c2c(C(=O)O)cccc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587639015 YIEACHXMDVDSLA-YADHBBJMSA-N 470.437 4.633 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn2C)N1 587754670 ZYHAIWAIFPYGOY-XUSGNXJCSA-N 472.314 4.690 5 1 JJBF Cc1ccccc1[C@@H]1[C@H]([N+](=O)[O-])[C@@H](Cc2cnc[nH]2)N[C@]12c1ccccc1-c1nc3ccccc3nc12 1911581801 GHWMBUKVDAWTFS-GCMXZSHTSA-N 488.551 4.529 5 1 JJBF C[C@@H](n1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc21)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 28951844 MDPZQQLBGOWNCB-PUAOIOHZSA-N 490.470 4.630 5 1 JJBF COc1cc([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3Br)CCN2Cc2cccnc2)ccc1O 40602054 MRQDKVAFRFHRBV-IEXUWNMDSA-N 498.377 4.934 5 1 JJBF O=[N+]([O-])c1ccc(-c2nnc(SCCCN3CCN(c4nc5ccccc5s4)CC3)o2)cc1 103200246 LMYUDRPYHDTTEE-UHFFFAOYSA-N 482.591 4.559 5 1 JJBF C[C@@H](CS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857560866 QRBKQXWSQAOOLP-JTQLQIEISA-N 484.374 4.681 5 1 JJBF COc1ccc(CCn2c(=O)c3ccccc3c3nc4ccc(NCCCn5ccnc5)cn4c32)cc1 103232341 SXNLAGOXLAZNHY-UHFFFAOYSA-N 492.583 4.752 5 1 JJBF NS(=O)(=O)c1cccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 587037998 ORBRFEUJYWAAQO-UHFFFAOYSA-N 483.556 4.546 5 1 JJBF Nc1nc(NCCNc2ncc(-c3ccccn3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-] 1772606826 QXSKXGGWYKQDEL-UHFFFAOYSA-N 497.346 4.922 5 1 JJBF COc1ccc(OCCCN2CCN(Cc3ccc4oc5cc(OC)ccc5c(=O)c4c3)CC2)cc1 1857540334 ZUVQKIIQZXNBMG-UHFFFAOYSA-N 488.584 4.550 5 1 JJBF COc1ccc(Cl)cc1C(=O)Nc1ccc(C2=NN[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 96934170 ZJMNCGPPXRXSFA-NRFANRHFSA-N 450.882 4.948 5 1 JJBF CCCc1c(O)ccc2c1OC1(CC2=O)c2cccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])cccc21 587468905 BTHBMURTQKOWHX-UHFFFAOYSA-N 474.425 4.615 5 1 JJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Cn1nc(C)c([N+](=O)[O-])c1C 587859365 FAMSLCURETXKRY-NSHDSACASA-N 466.325 4.954 5 1 JJBF COc1ccc2c(c1OC)[C@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1F)N(C)[C@H](C)C2 962615724 AFUFYGGBLDCCCX-SGANQWHYSA-N 451.498 4.502 5 1 JJBF Cn1c2ccccc2c(=Nc2ccc(NS(C)(=O)=O)cc2)c2cc(Br)ccc21 378063494 OWABFXOVYGSHPQ-UHFFFAOYSA-N 456.365 4.698 5 1 JJBF Cn1cc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C=O 587345258 ZDWBQANWVHCUGO-AHKZPQOWSA-N 486.455 4.893 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)N1 587751481 MYACWHISUKAXJG-PSLXWICFSA-N 481.325 4.970 5 1 JJBF COc1cc2c(cc1OC)[C@@H](Cc1ccc(Oc3cc(C(=O)O)ccc3OC)cc1)[N+](C)([O-])CC2 13372706 OZDNNMQFQHVQRE-WZOMIXFGSA-N 479.529 4.987 5 1 JJBF COc1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260758 CLAVLTYBVDKECY-UHFFFAOYSA-N 462.178 4.816 5 1 JJBF Cc1ccc(-c2nn(Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)c(=O)c3ccccc23)cc1C 1857636773 RGYHJKVFTDCTCG-UHFFFAOYSA-N 453.458 4.687 5 1 JJBF CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587074107 SHZHJRDFAFTZDJ-QFIPXVFZSA-N 457.918 4.988 5 1 JJBF COc1ccc(-c2nnc(-c3ccc4nc(-c5cc([N+](=O)[O-])n(CC(F)(F)F)n5)[nH]c4c3)o2)cc1 587091269 CWFXJRUSUGLSKX-UHFFFAOYSA-N 485.382 4.623 5 1 JJBF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587111435 CRVSUYVZHACPEK-QGZVFWFLSA-N 471.233 4.652 5 1 JJBF COCCOc1ccc(-c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)cc1[N+](=O)[O-] 587266388 VNEXTXYKGDCZKT-UHFFFAOYSA-N 480.452 4.833 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Cl)c(O)c2c1 587618468 RDZSQOQFDZVUDO-UHFFFAOYSA-N 473.894 4.912 5 1 JJBF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(F)F 587717239 KWSQGJQIPYXHPS-AYLIAGHASA-N 475.261 4.773 5 1 JJBF O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 773451 UCAUYRDSEDDJPD-WMZOPIPTSA-N 459.861 4.743 5 1 JJBF O=C1Nc2ccccc2C1(c1c[nH]c2ccc([N+](=O)[O-])cc12)c1c[nH]c2ccc([N+](=O)[O-])cc12 35984876 GRRKHMNOXCZQQV-UHFFFAOYSA-N 453.414 4.752 5 1 JJBF COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587787705 ODBKSLHEADZYAY-UHFFFAOYSA-N 483.408 4.584 5 1 JJBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(C(=O)OC)c(Br)cc1Cl 587935510 BKQABRAQOIAKQF-JTQLQIEISA-N 475.723 4.815 5 1 JJBF CCCCC1(CCCC)NS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]1O 13553986 LDZIKONCRYGLFY-DNQXCXABSA-N 489.638 4.565 5 1 JJBF CC(C)CN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 82134498 QMYBHURTIKXUHP-IIPCHUTBSA-N 465.598 4.945 5 1 JJBF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc([N+](=O)[O-])c(C)c4)c1)[C@@H](C2)C3=O 587434697 YQXVKIYCRZBHGI-RXFWQSSRSA-N 461.470 4.988 5 1 JJBF COc1cc2ncc3c(N)nc(-c4cncc(Nc5ccc(CO)cc5)c4)cc3c2cc1OC 45256833 HVLQLXFZSIVPJQ-UHFFFAOYSA-N 453.502 4.680 5 1 JJBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135696 BCKPJCAJRJMBOG-HDICACEKSA-N 477.540 4.964 5 1 JJBF O=C(Nc1ccc(S(=O)(=O)N2CCC3(CCCCC3)CC2)cc1)c1ccc([N+](=O)[O-])s1 1772638294 ORDYTITZWUSMJW-UHFFFAOYSA-N 463.581 4.644 5 1 JJBF O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)OCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 1857601760 UWJDTBRZZRNPRQ-LFIBNONCSA-N 492.495 4.785 5 1 JJBF Cc1ccccc1[C@@H]1[C@H]([N+](=O)[O-])[C@@H](Cc2cnc[nH]2)N[C@@]12c1ccccc1-c1nc3ccccc3nc12 1911581804 GHWMBUKVDAWTFS-VSUKXTEZSA-N 488.551 4.529 5 1 JJBF O=C(NCCC1=CCCCC1)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081265 BWQWBTYXFAFGED-SFHVURJKSA-N 468.579 4.577 5 1 JJBF CC(C)Oc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1cnccn1 96285573 GGADRAUNTVDAND-UHFFFAOYSA-N 475.549 4.804 5 1 JJBF COc1cccc([C@]2(c3cccc([N+](=O)[O-])c3)c3ccsc3CCN2Cc2cccnc2)n1 963005062 GERGFNHTPKZPGG-VWLOTQADSA-N 458.543 4.805 5 1 JJBF O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c1cccc2[N+](=O)[O-] 587574329 FFUHKSRLIOUSPB-WNCULLNHSA-N 465.417 4.750 5 1 JJBF O=C1C[C@H](Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c2c(Br)cccc2O1 587004565 WYQJOKXQRDTUTL-QMMMGPOBSA-N 481.100 4.632 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3CCCC[C@@H]3C)c2c1 587620831 HURCVVBWLNJQPF-AWEZNQCLSA-N 458.540 4.573 5 1 JJBF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(c1ccc([N+](=O)[O-])cc1)C1CCNCC1 961776303 LRDKNCKETSYUDN-MUUNZHRXSA-N 492.620 4.989 5 1 JJBF COc1ccc2c(c1OC)[C@@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1F)N(C)[C@@H](C)C2 962615711 AFUFYGGBLDCCCX-MQNRADLISA-N 451.498 4.502 5 1 JJBF NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 13878907 FZSYFVQDMPATJI-DEOSSOPVSA-N 474.561 4.768 5 3 JJBF COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2cc([N+](=O)[O-])cc(OC)c2O)s1 61970977 VTNQZMLBVILNKI-UHFFFAOYSA-O 465.511 4.770 5 1 JJBF O=C(NCC1CCCCC1)c1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 82081670 RZUGLGFRSAXKMA-UHFFFAOYSA-N 478.574 4.958 5 1 JJBF COc1cc2cc(CN3C(=O)CC[C@H]3C(=O)OC(C)(C)C)c3cc(OC)c(OC)cc3c2cc1OC 103170798 OLYLZRRSAXOPOA-NRFANRHFSA-N 495.572 4.860 5 1 JJBF CCOC(=O)CCC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644498 XSRFSCYAWHFHSQ-UHFFFAOYSA-N 459.296 4.961 5 1 JJBF CCOP(=O)(OCC)[C@H](Nn1c(C)nc2sc(CC)cc2c1=O)c1ccc([N+](=O)[O-])cc1 1857551696 SBPQHNJTFZURIK-SFHVURJKSA-N 480.483 4.745 5 1 JJBF COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1Nc1ccc([N+](=O)[O-])cc1 299821436 KDUKKBIETVCAGZ-SIKLNZKXSA-N 492.528 4.939 5 1 JJBF CS(=O)(=O)c1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1Cl 586927781 WGQIUEKKBRMXNQ-UHFFFAOYSA-N 498.664 4.976 5 1 JJBF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 587511226 FJEHJQGYMTZXDU-HHHXNRCGSA-N 454.482 4.881 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)C3(C)CC3)c2c1 587619219 CHJGIFHZOJNBNW-UHFFFAOYSA-N 479.461 4.806 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3nn(C)cc3[N+](=O)[O-])c2)N1 587750795 JNUAVJGKDLUCRC-JEOXALJRSA-N 461.291 4.646 5 1 JJBF COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H](c3ccccc3Br)CC(=O)N2Cc2cccnc2)cc1 26492928 SGISYNKRKGFZQU-HUVFLSCGSA-N 496.361 4.755 5 1 JJBF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82134723 SXVBYSYPOAUJBF-HDICACEKSA-N 451.571 4.844 5 1 JJBF COCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163893 FSFDZCVIECBBPQ-UHFFFAOYSA-N 493.545 4.918 5 1 JJBF O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cs1 587019863 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[O-][N+]12CCC[C@]3(O)CCCCCC[C@@H]4CCN5CCC[C@](O)(CCCCCC[C@H](CC1)O[C@@H]32)[C@@H]5O4 40392376 YGVDXBJSMGJURA-SSLKDGFCSA-N 494.717 4.578 5 1 JJBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135333 KQAKGEYOMBEYLW-MOPGFXCFSA-N 451.571 4.939 5 1 JJBF O=C(O)c1cc2[nH]c([C@H]3CC[C@@H](O)CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586899830 SSKQAKWIYPBATR-OKILXGFUSA-N 470.481 4.863 5 1 JJBF NCc1cccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 587246102 CJZNJKHSZFLRKK-UHFFFAOYSA-N 477.476 4.971 5 1 JJBF Cn1cc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C=O 587345259 ZDWBQANWVHCUGO-BDYUSTAISA-N 486.455 4.893 5 1 JJBF O=C(NCCCN1CCCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4206050 XHFVTMUDHLXWJD-IFMALSPDSA-N 491.375 4.596 5 1 JJBF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82135724 FOLKZYAMEGNVGV-HDICACEKSA-N 477.540 4.646 5 1 JJBF O=C(Nc1ccc(F)cc1)c1ccc(SCCCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)nc1 145008117 VWBRWJWWGMWGDV-UHFFFAOYSA-N 494.504 4.550 5 1 JJBF COC(=O)c1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c(F)c1Nc1ccccc1 587091069 AEAJZCGHHVJQDG-UHFFFAOYSA-N 478.362 4.566 5 1 JJBF CC[C@H](C)n1ncc(I)c1-c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 587181012 LELLSKDCFHAMIK-ZETCQYMHSA-N 490.099 4.673 5 1 JJBF O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(O)ccc([N+](=O)[O-])c21 587343020 QZAPCODMUOOURC-YWEHKCAJSA-N 497.434 4.992 5 1 JJBF O=C([C@@H]([C@H](C[N+](=O)[O-])c1ccccc1)S(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 1857649189 GFXKHXQUZHSCQX-PVAGIDPNSA-N 467.587 4.675 5 1 JJBF CCOC(=O)C1=C[C@@H](C2CCCCC2)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 72140924 LHCBSTHQLLODDR-ZEQRLZLVSA-N 484.574 4.779 5 3 JJBF O=C(N[C@H](Cc1ccccc1)C(=O)NCC1CCCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82075195 YZUXMGLRMPCIPH-JOCHJYFZSA-N 492.601 4.756 5 1 JJBF O=C(Cc1ccccc1)Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)s1 299834535 YRBYORGBAIIWDT-UHFFFAOYSA-N 477.458 4.995 5 1 JJBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962702657 SCNPZPFFJZJZEM-CYFREDJKSA-N 486.421 4.670 5 1 JJBF COc1ccc2c(c1OC)[C@H](c1cccc([N+](=O)[O-])c1Cl)N(C(=O)c1ccccc1N)CC2 963144409 SDPSAIHRBFNIEM-QFIPXVFZSA-N 467.909 4.636 5 1 JJBF COc1ccc2c(c[n+]3c4c2cc(Cc2cccnc2)c2c5c(cc(c24)CC3)OCO5)c1OC 1857538381 FDUXKIPZALJRLW-UHFFFAOYSA-N 451.502 4.722 5 1 JJBF O=c1c2ccccc2nc2c3c(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccc([N+](=O)[O-])cc4)nc3ncn12 45357652 WJCRFEZVOXZJOO-UHFFFAOYSA-N 490.435 4.941 5 1 JJBF CCCCOCCCNC(=O)c1ccc(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 82081666 NZCSMLIFODWBFS-UHFFFAOYSA-N 496.589 4.585 5 1 JJBF CCCC[C@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)NCCOc1ccccc1 82195647 DRFGLMMGEVSXFV-FQEVSTJZSA-N 454.552 4.884 5 1 JJBF COc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(I)c1 587179524 XIWPLZLWZIZPQT-UHFFFAOYSA-N 474.052 4.514 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587264399 RAAOBVBOFZZGBY-ZDUSSCGKSA-N 461.478 4.654 5 1 JJBF COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OCC(=O)c1ccccc1 1857537180 OLTSCKYNUZGTFJ-UHFFFAOYSA-N 464.497 4.989 5 1 JJBF Cc1onc(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079146 HQQAZJQZQREFBZ-UHFFFAOYSA-N 495.721 4.882 5 1 JJBF Cc1ccc(S(=O)(=O)Cc2nc(Nc3ccc(F)cc3)c3cc([N+](=O)[O-])ccc3n2)cc1 45284367 PUCACAXGMYEYPJ-UHFFFAOYSA-N 452.467 4.703 5 1 JJBF Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccccc2[N+](=O)[O-])cc1Cl 103212350 ASXKJJSOVLKZLX-HXUWFJFHSA-N 487.969 4.629 5 1 JJBF C[C@@]1(c2ccc(Br)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542436 XUIFVUKOKARWAW-NQIIRXRSSA-N 456.248 4.940 5 1 JJBF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC(F)F 587714522 GDCTVJPPTZCPKS-WNWIJWBNSA-N 461.234 4.730 5 1 JJBF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1nn(C)cc1[N+](=O)[O-] 587753380 VMRCGQLMVCXUPS-YBTHPKLGSA-N 491.317 4.654 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CC(F)=C(F)F)c2c1 587618348 OYZXSSDOISZNTD-UHFFFAOYSA-N 455.414 4.814 5 1 JJBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 1772581562 PHCTTZNYDOBOHY-UHFFFAOYSA-N 464.400 4.946 5 1 JJBF COc1ccc(OC(C)(C)[C@@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 27748209 WPGZXQCLJIYEMI-DFGWZGOOSA-N 486.521 4.697 5 1 JJBF CC(C)(C)N(Cc1ccc(OCc2ccccc2)cc1)C(=O)COC(=O)c1ccc([N+](=O)[O-])o1 66252647 DKOYNWUGRYZVPU-UHFFFAOYSA-N 466.490 4.751 5 1 JJBF CC(C)[C@@](C)(O)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586888639 LNOJTCQAPJAYKO-AREMUKBSSA-N 458.470 4.708 5 1 JJBF Cc1onc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080657 XGQAHRSCPKEWKF-UHFFFAOYSA-N 464.869 4.912 5 1 JJBF COC(=O)c1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 587159234 NQKHITJSIYPJGP-UHFFFAOYSA-N 454.389 4.859 5 1 JJBF COC(=O)c1ccc(Oc2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c([N+](=O)[O-])c1 587434057 QDDLIRWKFYEQHT-OSPHWJPCSA-N 461.426 4.671 5 1 JJBF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c12 587514533 ZIXLZAHHVKKYOA-MHZLTWQESA-N 469.449 4.625 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3nn(C)cc3[N+](=O)[O-])cc2)N1 587749276 DKCNUKUKJFUOEH-JEOXALJRSA-N 461.291 4.646 5 1 JJBF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(c1ccc([N+](=O)[O-])cc1)C1CCNCC1 961776317 LRDKNCKETSYUDN-NDEPHWFRSA-N 492.620 4.989 5 1 JJBF O=C(CC1CCCCC1)N1CCN(C(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 1857573334 YYAYTIPXQPUUHC-QHCPKHFHSA-N 450.539 4.983 5 1 JJBF C[C@H]1CCCN(CC2CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)C1 1857767627 KAILOASMYSYQIK-ZDUSSCGKSA-N 470.517 4.532 5 1 JJBF O=C1CSC(N2N=C(c3ccccc3[N+](=O)[O-])C[C@@H]2c2cc3cc(F)ccc3nc2Cl)=N1 95571990 SCVMHKVJMLBRMM-GOSISDBHSA-N 469.885 4.716 5 1 JJBF C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](COCc1ccccc1)OCc1cccc2ccccc12 40916966 RZIBNWWSXBUXJC-RUZDIDTESA-O 488.541 4.782 5 1 JJBF O=C1[C@H](Cc2ccccc2)N=C(c2ccccn2)c2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 66073738 AJGSGKQWPAESRQ-VWLOTQADSA-N 462.509 4.985 5 1 JJBF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2cccc([N+](=O)[O-])c2)C1 82135678 ARKJAPGHYSRGRL-IRXDYDNUSA-N 489.532 4.511 5 1 JJBF COC(=O)c1ccc(Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])c(OC)c1 587389971 OLCZUQCHNIVGDM-JOCHJYFZSA-N 478.457 4.779 5 1 JJBF C[C@](N)(CO)CCc1ccc(OCCCCCCCCNc2ccc([N+](=O)[O-])c3nonc23)cc1 28565088 PGAPESPTQZIQPT-RUZDIDTESA-N 485.585 4.605 5 1 JJBF Cc1cc(CCC[N+]23CCC(CC2)[C@@H](OC(=O)[C@](C)(c2ccccc2)N2CCCCC2)C3)ccn1 68197045 DYBHRYASVPRHCT-KIKKPEDASA-N 476.685 4.876 5 1 JJBF CCN(CC)S(=O)(=O)c1ccc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)c([N+](=O)[O-])c1 587863452 KOMZZQNROLTQCC-UHFFFAOYSA-N 498.483 4.505 5 1 JJBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] 27524934 JKMMYHRKBNRZLP-UVDRRRQGSA-N 479.533 4.518 5 1 JJBF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135700 BCKPJCAJRJMBOG-QZTJIDSGSA-N 477.540 4.964 5 1 JJBF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82148195 TXRSSNXUAJSUMG-QZTJIDSGSA-N 451.571 4.844 5 1 JJBF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 169337436 SCVKOIYRAIDSFA-KPKJPENVSA-N 492.484 4.512 5 1 JJBF CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587744803 FRDDYBSPBVILGI-VQDICGIKSA-N 494.317 4.602 5 1 JJBF Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@@]1(C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963228263 OGPKMRIFXLMYAK-SIBVEZHUSA-N 492.532 4.828 5 1 JJBF C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C 82148295 VCYGBLVLCCDEMO-REIYTJMXSA-N 463.582 4.843 5 1 JJBF O=S(=O)(c1ccc(Br)cc1)N1CCN(c2nc3ccccc3c3ccccc23)CC1 1772631608 JALPPGRPTLVYIT-UHFFFAOYSA-N 482.403 4.661 5 1 JJBF COc1cc(CCN(C)C)c2sc3c(O)c(OC)cc(CCN(C)C)c3ssc2c1O 35274614 KVGFSMRBTDAHMD-UHFFFAOYSA-N 482.693 4.939 5 1 JJBF biogenic COc1ccc([C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 66259671 IHLVOCXJWBRQHP-DHIUTWEWSA-N 464.474 4.501 5 1 JJBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1nn(C)cc1[N+](=O)[O-] 587573816 DCOGLUHZDHJCHQ-ZJSXRUAMSA-N 489.440 4.538 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ncccc3C)c(C)c2c1 587620452 CEYIAOVGBKDULX-UHFFFAOYSA-N 452.492 4.564 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc([N+](=O)[O-])cn2C)(C(Cl)(Cl)Cl)N1 587679751 GSRRGJBXIJNCLA-GLEZIHRCSA-N 485.568 4.983 5 1 JJBF COc1cc2c(cc1OC)[C@@](c1ccc([N+](=O)[O-])o1)(c1c(C)c(C=O)c3ccccn13)N(C)[C@@H](C)C2 962574290 UCPNCQXFGAJZRC-RKOGDMNLSA-N 489.528 4.747 5 1 JJBF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239143 IKPUTXKOZBROHL-FFUDGTDTSA-N 495.374 4.789 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)N1 587681598 QLJUXTIICJPPFV-LZVRBXCZSA-N 470.136 4.983 5 1 JJBF COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4053987 ADUSBJNALFZPBK-GMAHTHKFSA-N 465.893 4.665 5 1 JJBF O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1cccc2ccccc12 100916065 GGAMSTJRIBUGTQ-KDURUIRLSA-N 496.589 4.654 5 1 JJBF COC(=O)c1cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c(F)c1Nc1ccccc1 587118078 NOJZBOFIACPUQV-UHFFFAOYSA-N 492.389 4.712 5 1 JJBF O=C1N[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc([N+](=O)[O-])cc1 82158302 CEFDICGJZNUGAH-ZBLYBZFDSA-N 480.480 4.705 5 1 JJBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCc2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 169723571 HRKDEIBQPPISRN-RBBKRZOGSA-N 470.909 4.655 5 1 JJBF Cc1ccc(-c2nnc(SCc3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)n2C)cc1 586965055 IRNGCXGEKQBXNB-UHFFFAOYSA-N 459.329 4.630 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc([C@H](C)OC)cc3)c(N)c2c1 587621533 VIGGCCBUTPSXTR-AWEZNQCLSA-N 496.545 4.842 5 1 JJBF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587431813 HBKZORSWUQWXPS-FNZWTVRRSA-N 453.454 4.945 5 1 JJBF NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 13878906 FZSYFVQDMPATJI-XMMPIXPASA-N 474.561 4.768 5 3 JJBF CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(Br)c(C)c1 36190320 GQUHWGMQUSYEDD-UHFFFAOYSA-N 499.387 4.587 5 1 JJBF COc1cccc(OC)c1CNc1ncc(C(=O)N2CCC(C)CC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135702 MZXPIFGOICWRIH-UHFFFAOYSA-N 491.548 4.553 5 1 JJBF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cc(F)ccc4[N+](=O)[O-])c1)[C@@H](C2)C3=O 587426311 BYVRUDNYCVBJMZ-BVZFJXPGSA-N 465.433 4.819 5 1 JJBF COc1c(OC(F)F)ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] 587720200 SDPCJKIEQYALNO-VXJOIVPMSA-N 461.234 4.730 5 1 JJBF O=C1S/C(=C\c2sc(N3CCCCC3)nc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 103288418 AXUROQYYTTVOTA-GDNBJRDFSA-N 464.956 4.932 5 1 JJBF O=C(Nc1cc2ccccc2cc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1cc([N+](=O)[O-])ccn1 13587597 UWNWXSQXVWBOKI-UHFFFAOYSA-N 473.397 4.584 5 1 JJBF COc1cc(OC)cc(-c2nn(-c3ccc([N+](=O)[O-])cc3Cl)c(=S)n2C[C@H]2CCCO2)c1 45323530 BOBRKUODFXTBIU-OAHLLOKOSA-N 476.942 4.828 5 1 JJBF O=C(C[C@@H](NC(=O)OCc1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1)OCc1ccccc1 587204538 ZSBAINKDJCXZAO-HXUWFJFHSA-N 474.473 4.572 5 1 JJBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C 587871577 KGVKWWUZHNZXEZ-UHFFFAOYSA-N 463.469 4.546 5 1 JJBF CC(C)(Oc1ccc(F)cc1[N+](=O)[O-])[C@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 13740481 POJITNLXQREAAG-CLMJKBCBSA-N 474.485 4.828 5 1 JJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586949510 XPPKSRIFYFMICL-UHFFFAOYSA-N 488.428 4.569 5 1 JJBF Cc1ccccc1[C@@H]1[C@H]([N+](=O)[O-])[C@H](Cc2cnc[nH]2)N[C@]12c1ccccc1-c1nc3ccccc3nc12 1911581802 GHWMBUKVDAWTFS-HLBHGXTFSA-N 488.551 4.529 5 1 JJBF CN[C@@H]1C[C@@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)OC4 101215896 NWWJENKFHKHQLF-WIFUGMKFSA-N 467.525 4.781 5 1 JJBF O=[N+]([O-])c1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cc1[N+](=O)[O-] 587020481 BLZLRJLJKGBGIQ-UHFFFAOYSA-N 459.447 5.308 5 1 JJBF CCOc1ccc([C@@H]2c3c(c4cccnc4c4ncccc34)N[C@@]3(O)COC(=O)[C@H]23)cc1C(F)(F)F 653687653 QLFZWCVDEJMCSF-KNOQFWTLSA-N 495.457 4.620 5 1 JJBF COc1cccc([C@@]2(c3cccc([N+](=O)[O-])c3)c3ccsc3CCN2Cc2cccnc2)n1 963005061 GERGFNHTPKZPGG-RUZDIDTESA-N 458.543 4.805 5 1 JJBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135328 KQAKGEYOMBEYLW-RBUKOAKNSA-N 451.571 4.939 5 1 JJBF COc1ccc(Cl)cc1C(=O)Nc1ccc(C2=NN[C@@H](c3ccccc3[N+](=O)[O-])C2)cc1 96934169 DCPFPDKTJDHPJW-HXUWFJFHSA-N 450.882 4.948 5 1 JJBF COc1cc2c(cc1OC)[C@@](C[C@@H]1CCC[C@H]1C(=O)O)(c1cccc([N+](=O)[O-])c1)N(C)[C@@H](C)C2 962576464 UJSNRDBCRCZBGH-QAOFYBPCSA-N 468.550 4.623 5 1 JJBF O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@@H]2CCCC[C@@H]21 587026298 KWVIUGXIWBXXLW-AXHNFQJDSA-N 455.496 4.516 5 1 JJBF CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccoc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@+]1(C)CC1CC1)[C@H]2O5 473183380 VTGIBPDRGIZMNY-UQTALBOSSA-O 492.636 4.571 5 1 JJBF CC(C)COc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1Br 587092010 KZHYHBOIWBNCPZ-UHFFFAOYSA-N 462.226 4.694 5 1 JJBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1 587116553 HNINMMZQPOPRIC-UHFFFAOYSA-N 462.226 4.593 5 1 JJBF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1C 587165721 KGQQOZVPYPURAF-UHFFFAOYSA-N 481.440 4.715 5 1 JJBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587260698 ZEXPTCLWTFIUMC-KBMXLJTQSA-N 472.339 4.565 5 1 JJBF O=C(NCCCN1CCCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4206061 XHFVTMUDHLXWJD-UNMCSNQZSA-N 491.375 4.596 5 1 JJBF O=C(c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCC1 82135494 DNKDNXMMCCLRRY-UHFFFAOYSA-N 471.439 4.919 5 1 JJBF CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[N+]2(CCCn3cccc3)CCC1CC2 141991571 NCNQPLHOBSEBMQ-LAAOYOPBSA-N 456.610 4.883 5 1 JJBF COC(=O)c1cc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2c(F)c1Nc1ccccc1 587261062 RJEZVFADUXRMEG-UHFFFAOYSA-N 466.425 4.825 5 1 JJBF Cn1ccnc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547084 SKAAGIVMHJCNCB-YKSBVNFPSA-N 477.860 4.593 5 1 JJBF COc1ccc(Oc2c(Cl)cnn(-c3nc4ccccc4c(=O)c4ccccc34)c2=O)cc1 73241975 IRZYMVNNQZMLQQ-UHFFFAOYSA-N 457.873 4.748 5 1 JJBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1C[C@H](c1cccc(Br)c1)N(C)C 587939233 JHNULTUSNASWCO-RDTXWAMCSA-N 454.365 4.689 5 1 JJBF CC(=O)c1ccc(OC(C)(C)[C@@H]2OC[C@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 27748710 DKANVOYVQMYLKY-NHJGRUGCSA-N 498.532 4.891 5 1 JJBF C[C@@H](C(=O)NN1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)c(F)c1 103200304 FEPGGAGLTYILJF-OYLFLEFRSA-N 465.506 4.810 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)c(F)cc2[nH]1 587263142 KEHDAECKBOMPAZ-VIFPVBQESA-N 452.236 4.724 5 1 JJBF Cn1ccnc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547083 SKAAGIVMHJCNCB-RDPSFJRHSA-N 477.860 4.593 5 1 JJBF CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 587691807 INSUTUWTUUYNHW-BIBXISHDSA-N 485.737 4.881 5 1 JJBF COc1cc2cc(C(=O)CCc3cc[n+](Cc4ccc([N+](=O)[O-])o4)cc3)sc2cc1OC 13818104 PIUDKWKHYCTTMB-UHFFFAOYSA-N 453.496 4.571 5 1 JJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(F)cc1[N+](=O)[O-] 587558117 QFLRKKXJYSQBDI-FXAWDEMLSA-N 460.211 4.905 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccnc(Cl)c3)c(C)c2c1 587619075 ZDRUQQUMWKFRCW-UHFFFAOYSA-N 472.910 4.909 5 1 JJBF COc1cc(O)c2c(=O)oc3c(O[C@@]4(C)Oc5cccc(C)c5C4=O)c(OC)cc(C)c3c2c1 2356849443 PWNYACBJAUETEX-AREMUKBSSA-N 462.454 4.656 5 1 JJBF O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4051742 WUAKCAUCGTXYJW-GGAORHGYSA-N 465.893 4.535 5 1 JJBF O=C1CSC(N2N=C(c3cccc([N+](=O)[O-])c3)C[C@@H]2c2cc3cc(F)ccc3nc2Cl)=N1 95574320 IIVMLFOLWVMQJO-GOSISDBHSA-N 469.885 4.716 5 1 JJBF CCOC(=O)C[C@]1(Cc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332245 FRHOKIKZVXTJTD-AHWVRZQESA-N 479.460 4.733 5 1 JJBF CCOC(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332431 GJCCJOLCTCMGFF-UKILVPOCSA-N 465.433 4.647 5 1 JJBF COc1cc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])cc1OC 587341654 ZOUKBXBNQSUHLU-ILBGXUMGSA-N 467.449 4.817 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 587754419 YLULZSQJPUXYPG-RULNZOCKSA-N 483.293 4.573 5 1 JJBF O=[N+]([O-])c1ccccc1-n1cc(-c2cccc(Nc3ncnc4cc5c(cc34)OCCCO5)c2)nn1 1857540287 OTHVQTPKABLBDX-UHFFFAOYSA-N 481.472 4.691 5 1 JJBF CSCC[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(=O)NCc1ccc(F)cc1 82195341 ULSDSRJOYRUBFF-SFHVURJKSA-N 460.556 4.707 5 1 JJBF CC(C)COc1cc(C(=O)Nc2ccc(C(=O)O)cc2OCc2cccnc2)ccc1[N+](=O)[O-] 299852064 MSKLVKKARAFYTQ-UHFFFAOYSA-N 465.462 4.554 5 1 JJBF Cc1c(-c2nc3c(I)cnc(Cl)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979322 AXUSMCZUNYUDFY-UHFFFAOYSA-N 493.486 4.862 5 1 JJBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)F 587553602 FVVKQNWDHPZCBQ-OFNKIYASSA-N 473.384 4.656 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 587754045 XNPAMJVXERKEGH-DAOPMYJZSA-N 467.294 4.867 5 1 JJBF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)N1 963226510 DWPKHEHTMPXFJP-XUZZJYLKSA-N 486.440 4.532 5 1 JJBF CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 28760682 WNZVWTHHTNHQPE-UHFFFAOYSA-N 484.940 4.803 5 1 JJBF CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 34875662 ZHFXMKLWVVBJRC-UHFFFAOYSA-N 460.918 4.558 5 1 JJBF O=C(Nc1cccc(CNc2ncnc3c2cnn3CCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 103253421 QIYVDDZNLYEBCU-UHFFFAOYSA-N 493.527 4.842 5 1 JJBF C[C@H]1CN(c2cc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CCN1Cc1ccccc1 1857556782 WUGMIRJCPOAZDF-AWEZNQCLSA-N 463.481 4.899 5 1 JJBF c1cnc2c(c1)c1nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c1c1cccnc12 586968850 CZALIVVNVXDAIV-UHFFFAOYSA-N 454.471 4.730 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])N1 587700658 VJDPQGIPFPPRJW-DGIBIBHMSA-N 470.726 4.928 5 1 JJBF Cc1c(C(=O)NCc2ccc([N+](=O)[O-])cc2)sc(=O)n1Cc1ccc(-c2ccccc2)cc1 61928770 MXISALMDZXKVRT-UHFFFAOYSA-N 459.527 4.772 5 3 JJBF COC(=O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423698 VKZAPSUOHFFNFN-IQGLISFBSA-N 479.872 4.735 5 1 JJBF CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587744799 FRDDYBSPBVILGI-BSPLBBPOSA-N 494.317 4.602 5 1 JJBF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587140081 BLBBPLGIGKWCMK-INIZCTEOSA-N 475.329 4.983 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(O)c([N+](=O)[O-])c2)N1 587676076 FCKUCAPIXIFFCE-MLXNANBUSA-N 460.097 4.588 5 1 JJBF O=c1c(-c2ccc([N+](=O)[O-])cc2)coc2c1c(O)cc1occ(-c3ccc([N+](=O)[O-])cc3)c(=O)c12 653870775 YCBQYCAKQNISKL-UHFFFAOYSA-N 472.365 4.755 5 1 JJBF CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@H]1c1ccc(Cl)cc1Cl 1772626968 WFQWQDKHSLTLGK-SFHVURJKSA-N 481.339 4.930 5 1 JJBF COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCC2CCCCC2)cc1 773928 GQNQCLXXGKNTIQ-UHFFFAOYSA-N 479.489 4.964 5 1 JJBF O=C(Nc1nc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cs1)c1cccs1 587019196 HIKMYMMPEBHMKJ-UHFFFAOYSA-N 464.326 4.595 5 1 JJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587056874 VMIDVPAELCBPDR-IBGZPJMESA-N 456.865 4.576 5 1 JJBF CN(C)CCCNc1nc2cc([N+](=O)[O-])ccc2nc1NCc1cc(F)cc(C(F)(F)F)c1 1857612948 ZCXJSLYCNYIWML-UHFFFAOYSA-N 466.439 4.672 5 1 JJBF CCCCOc1ccc(C[N+]2(C)[C@H]3CC[C@@H]2C[C@@H](OC(=O)[C@@H](CO)c2ccccc2)C3)cc1 100377789 ALVDDLOWVXJXCD-FNOCBZAHSA-N 452.615 4.825 5 1 JJBF in-man CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 148630296 OVDFJNPAECGHPG-QHCPKHFHSA-N 481.593 4.653 5 1 JJBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587265052 RRMZMYPQPDENRX-UOWDBTKRSA-N 459.768 4.586 5 1 JJBF Cn1cc([C@@]2(c3ccc([N+](=O)[O-])cc3)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1C=O 962961909 XFNNPUCDIILPMD-RUZDIDTESA-N 499.489 4.708 5 1 JJBF O=C(CSc1nnc(COc2ccc3c(c2)CCCC3)o1)Nc1nc2ccc([N+](=O)[O-])cc2s1 1857631361 HVSXQMUAJPFURJ-UHFFFAOYSA-N 497.558 4.776 5 1 JJBF CCN(CC)CCCNc1nc(=O)[nH]c(C)c1C(=O)Nc1cccc2cc3ccccc3cc12 1858437 NRPYGTHRBIATLU-UHFFFAOYSA-N 457.578 4.781 5 1 JJBF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 586947458 ZFVKICDXZJRCOS-SFHVURJKSA-N 457.555 4.994 5 1 JJBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(I)cnc4[nH]3)c2)cc1 587273030 YZUHKWNQGJGXBP-UHFFFAOYSA-N 458.215 4.930 5 1 JJBF CCOC(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332422 GJCCJOLCTCMGFF-ILBGXUMGSA-N 465.433 4.647 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(N=O)c2c1 587621601 WPPUUKAAUHIQJC-UHFFFAOYSA-N 452.448 4.950 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3nn(C)cc3[N+](=O)[O-])c2)N1 587752295 QQKAKSJFYGZASH-WLRWDXFRSA-N 461.291 4.646 5 1 JJBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CS[C@@H]3c3ccc[nH]3)c2c1 1857763776 GUKKVBWRZRWEPF-XMMPIXPASA-N 466.994 4.876 5 1 JJBF C[C@@](C(=O)O[C@H]1C[N+]2(CCC3=C[C@H]4CCO[C@@H]4C=C3)CCC1CC2)(c1ccccc1)N1CCCCC1 73161786 AIMRQTXCPBQWFD-VRQOAZDQSA-N 491.696 4.831 5 1 JJBF COc1cc(OCc2nc3c(Br)ccc(Br)c3[nH]2)ccc1[N+](=O)[O-] 587263301 RBHOEBKSVVYXPD-UHFFFAOYSA-N 457.078 4.584 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3nn(C)cc3[N+](=O)[O-])cc2)N1 587752846 SZTCJJPXDDQSGT-JEOXALJRSA-N 461.291 4.646 5 1 JJBF O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21 100706022 XWSXOWCXRRXRJH-UHFFFAOYSA-N 497.536 4.821 5 1 JJBF COc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2cc1C 586948525 JUAREJWVKOTHKU-UHFFFAOYSA-N 452.492 4.564 5 1 JJBF N[C@H](Cc1ccc(I)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587185660 MGHSUPZAPDIDBC-MRXNPFEDSA-N 465.298 4.506 5 1 JJBF O=[N+]([O-])c1ccccc1N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 1857550486 ULMWAKXWMKUGMX-UHFFFAOYSA-N 494.617 4.639 5 1 JJBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 82214875 JXAUOCRWZJKBRE-QGFMHUBQSA-N 451.571 4.652 5 1 JJBF COc1cc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC 587749122 XCLJUCGSJRKZGQ-YBTHPKLGSA-N 453.308 4.506 5 1 JJBF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 586939745 DRKKZPKWIDIFLH-DEOSSOPVSA-N 498.608 4.820 5 1 JJBF CC(C)CCOc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1Br 587269754 OHDMNJPWQPAVGH-UHFFFAOYSA-N 471.315 4.906 5 1 JJBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)o1 587862739 GSVBCKZFARZBCB-UHFFFAOYSA-N 489.410 4.629 5 1 JJBF COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4053989 ADUSBJNALFZPBK-JTHBVZDNSA-N 465.893 4.665 5 1 JJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc([N+](=O)[O-])cn2ccnc12 587574083 ALWKAQBCTZSKIP-KCWPFWIISA-N 479.448 4.854 5 1 JJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O 587646868 ACWDWMLJWJDGSR-FYYLOGMGSA-N 471.425 4.843 5 1 JJBF O=C(NCc1cccc(F)c1)c1nc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1 1772635755 STZRSMPMJIKODS-UHFFFAOYSA-N 459.311 4.973 5 1 JJBF CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc2c(c1)CCN(Cc1ccc([N+](=O)[O-])o1)C2 1857580237 YFIYVXGJNKOXID-UHFFFAOYSA-N 493.951 4.540 5 1 JJBF Cc1cccc([C@@H]2[C@H]([N+](=O)[O-])[C@H](Cc3cnc[nH]3)N[C@@]23c2ccccc2-c2nc4ccccc4nc23)c1 1911571026 FXEUHDCDRKHKGM-RCZLLDMCSA-N 488.551 4.529 5 1 JJBF Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(OCCCP(=O)(O)O)cc3C)cc12 68250619 VQMOJMMCAWMCAQ-UHFFFAOYSA-N 465.490 4.714 5 1 JJBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)nn2)c1 587269221 IRXRSSRNXUQMAK-UHFFFAOYSA-N 453.178 4.500 5 1 JJBF Cc1[nH]c2c(C(=O)O)cccc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O 587639010 YIEACHXMDVDSLA-FGZHOGPDSA-N 470.437 4.633 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2nccn2C)N1 587691784 IFCWHPXCIUUXJZ-YBTHPKLGSA-N 479.737 4.709 5 1 JJBF O=C(O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1[C@]21c2ccsc2CCN1Cc1cccnc1 962996271 IJSAXDNWONBDNE-MHZLTWQESA-N 497.532 4.644 5 1 JJBF CC(C)CN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 82216972 IXGDHUOPUGZMBO-IIPCHUTBSA-N 465.598 4.945 5 1 JJBF CC(=O)c1ccc2c(c1)[C@@H](c1cc(Cl)ccc1[N+](=O)[O-])N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962625343 HMEHIURQZYYPHA-PMACEKPBSA-N 474.897 4.787 5 1 JJBF O=S(=O)(N[C@@H](c1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(F)cc1 587170785 JWQSRCDFISLEQL-NRFANRHFSA-N 483.528 4.866 5 1 JJBF O=C1C[C@@H](c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)Oc2c1ccc1c2CCCC1 587496606 JARWIMNPJSRYJF-IBGZPJMESA-N 472.295 4.780 5 1 JJBF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586935380 IIJXERLJEANQIM-AWEZNQCLSA-N 468.988 4.514 5 1 JJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587055873 QZPWKSGMQMZIGT-MRXNPFEDSA-N 452.254 4.813 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)c(F)cc2[nH]1 587263140 KEHDAECKBOMPAZ-SECBINFHSA-N 452.236 4.724 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2nccn2C)N1 587698036 YBHCGDPYGYYEQU-GIPWTMENSA-N 479.737 4.709 5 1 JJBF CN(C)CCNC(=O)c1cccc2c1nc(-c1ccc(I)cc1)c1ccccc12 27873049 OBLNVWJMLFMULX-UHFFFAOYSA-N 495.364 4.951 5 1 JJBF COc1ccc(-c2cnc(-c3cnc(N4CCOCC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 82221470 BDYRCNIWGWIGPV-UHFFFAOYSA-N 475.530 4.688 5 1 JJBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 587000007 JDSLYOCCYBVTAU-RJRFIUFISA-N 481.100 4.938 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 587754050 XNPAMJVXERKEGH-SFDCACGMSA-N 467.294 4.867 5 1 JJBF COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)[C@@H]1C2 73168559 QGBHXLYHBPGQEH-YKSBVNFPSA-N 458.474 4.777 5 1 JJBF COc1cc(C(=O)Nc2ccc(-c3cccc(C(C)=O)c3)cc2[N+](=O)[O-])cc(OC)c1OC 82157355 PRMGBNOSLSTPFM-UHFFFAOYSA-N 450.447 4.743 5 1 JJBF O=C([C@@H]1CCCCN1C1c2ccccc2-c2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 84758614 YWIUSXAORAQACC-MHZLTWQESA-N 482.584 4.868 5 1 JJBF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 587042229 KEHLRTDIWVCYMZ-OAHLLOKOSA-N 477.340 4.520 5 1 JJBF COc1cc2c(cc1OC)[C@](c1cccc([N+](=O)[O-])c1)(C1CC1)N(C(=O)c1ccccc1N)CC2 963143755 UKKVJECSMBPWRI-HHHXNRCGSA-N 473.529 4.546 5 1 JJBF COc1cc(NS(C)(=O)=O)ccc1N=c1c2ccccc2n(C)c2cc(Br)ccc12 378655030 RDDVEFSGUGEHMU-UHFFFAOYSA-N 486.391 4.707 5 1 JJBF Cc1onc(-c2nc3c(Br)cc(Cl)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080078 QLWUUSDFZZYKLA-UHFFFAOYSA-N 472.086 4.749 5 1 JJBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587274777 SMZVVXVATFFWLT-NSHDSACASA-N 476.390 4.882 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(O)c([N+](=O)[O-])c2)N1 587680157 SPTBGHVXGNYVNR-MLXNANBUSA-N 460.097 4.588 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587752949 UTABWJIEJSUBNV-GTJPDFRWSA-N 475.318 4.661 5 1 JJBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]12CCCC[C@H]2c1ccc([N+](=O)[O-])cc1 963140236 JQAVPENMEIPMFJ-CEXJFXJFSA-N 473.551 4.851 5 1 JJBF CC(=O)N1N=C(c2ccc(OCc3cn(Cc4ccc([N+](=O)[O-])cc4)nn3)cc2)C[C@H]1c1ccccc1 98082380 SHGACEMEYWIXAY-MHZLTWQESA-N 496.527 4.511 5 1 JJBF O=C(/C=C1/C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)Nc1ccc2ncccc2c1 299862272 MWWSMWWVLKDONT-PXLXIMEGSA-N 450.454 4.712 5 1 JJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 587610284 BJJWADSTONYBBG-REWPJTCUSA-N 473.466 4.945 5 1 JJBF COc1ccc([C@@H]2[C@@H](c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 71318775 MPRAOXXNXNHHOL-NHCUHLMSSA-N 470.503 4.562 5 1 JJBF O=c1ccn(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2ccn(Cc3ccc(Cl)cc3)c(=O)c12 653899268 GDWGAWXNXDKFRR-UHFFFAOYSA-N 475.810 4.781 5 1 JJBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] 27524933 JKMMYHRKBNRZLP-ZZIWUOEGSA-N 479.533 4.518 5 1 JJBF C[C@H](C(=O)NN1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)c(F)c1 103200301 FEPGGAGLTYILJF-IZHWHUGBSA-N 465.506 4.810 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(O)c2c1 587618020 MAVSUURNZIPQAP-UHFFFAOYSA-N 473.894 4.912 5 1 JJBF CN1CCN(c2ccc(-c3cc(-c4ccc(C(N)=O)cc4)cc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)CC1 1857571757 ZEAZDUINQCOMQO-UHFFFAOYSA-N 493.567 4.842 5 1 JJBF CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@]2(CCc3c([nH]c4ccccc34)C2=O)[C@]12C(=O)Nc1ccccc12 40403110 ZJOAVGUYGVLFTO-GJDOKZOISA-N 492.535 4.768 5 1 JJBF COc1c(OC(F)F)ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] 587720195 SDPCJKIEQYALNO-AYVTZFPOSA-N 461.234 4.730 5 1 JJBF Cc1sc2c(c1C)CCN[C@@]21CCCC(=O)[C@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 963012915 ROGLHPKSVGOZNG-GHTZIAJQSA-N 466.481 4.885 5 1 JJBF COc1cccc2cc3c(nc12)[C@@](C[C@H]1CC[C@H](C(=O)O)CC1)(c1cccc([N+](=O)[O-])c1)NCC3 963057163 MFYIFULDMHQKPN-KMVLGAPJSA-N 475.545 4.822 5 1 JJBF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OCCN(C)Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 100370085 UCNNFOLIPMLBKV-PNNQIPOWSA-N 479.533 4.518 5 3 JJBF investigational Cc1cc([N+](=O)[O-])nn1COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587752950 UTABWJIEJSUBNV-LAJNKCICSA-N 475.318 4.661 5 1 JJBF CSc1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1 586949400 VXBJOPMLVLELBQ-UHFFFAOYSA-N 454.533 4.969 5 1 JJBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 963178294 JLMYZSTYEDGYNF-IAQYHMDHSA-N 468.737 4.974 5 1 JJBF CCOC(=O)[C@H]1CCCCN1C(=O)c1cc2ccc(OC)cc2c2cc(OC)c(OC)cc12 61948163 UVBQDLPEOOVHML-JOCHJYFZSA-N 451.519 4.577 5 3 JJBF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587041486 WAJYLUUUZUYPKF-IBGZPJMESA-N 455.543 4.946 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)c(F)c(F)c2[nH]1 587263954 PKLGXXFCLIWGEL-QMMMGPOBSA-N 470.226 4.863 5 1 JJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1c([N+](=O)[O-])cc(Br)cc12 587548549 UVPSOJGOOGEZEV-PGRDOPGGSA-N 484.258 4.703 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(OC(C)=O)c2c1 587621614 XBMAGJFCIQEATP-UHFFFAOYSA-N 499.476 4.617 5 1 JJBF NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N[C@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 102820742 PLBPJLPIDAWWPE-XKEWOQQVSA-N 486.572 4.624 5 1 JJBF O=[N+]([O-])c1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Cl 587169992 HBYKTJSGTPFYBX-UHFFFAOYSA-N 452.876 4.793 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(Cl)c(Br)cnc2[nH]1 587263328 LMZKZSJDHODQQB-MRVPVSSYSA-N 469.679 4.633 5 1 JJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Br)c([N+](=O)[O-])cc12 587545987 NFRGHJZMISMYSE-DENIHFKCSA-N 468.259 4.866 5 1 JJBF COc1cc2c(cc1OC)[C@H](c1c(-c3ccc([N+](=O)[O-])cc3)nc3sccn13)N(C)[C@H](C)C2 962566796 JAFJRZRXAYXAIR-JLCFBVMHSA-N 464.547 4.954 5 1 JJBF CCOC(=O)C1=C[C@@H](C(C)(C)C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1Cl 199360719 KVTWVTJGSQDCLS-SFTDATJTSA-N 492.981 4.898 5 3 JJBF Nc1cc([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3Br)CCN2Cc2cccnc2)ccc1O 40767361 PEOKHNHADIWRHF-NMNUPHIUSA-N 483.366 4.508 5 1 JJBF O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1Cl 587167456 NLMGVZTWXVVKGJ-UHFFFAOYSA-N 452.876 4.793 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])N1 587701397 XKPQJHNTVLLALK-GIGQVBGESA-N 470.726 4.928 5 1 JJBF Cc1oc(=O)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1[C@@]1(C)NCCc2c(Cl)cc(Cl)cc21 963114943 YGKRGZZQWXCKEH-HSZRJFAPSA-N 488.327 4.825 5 1 JJBF O=C(COc1ccc2c(=O)c3ccccc3oc2c1)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 103228928 BBZNRHRAGTVUSZ-WUFINQPMSA-N 465.505 4.916 5 1 JJBF O=C(N[C@H](c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccccc1 587219712 PUPFLOZOJDQLPX-QGZVFWFLSA-N 451.280 4.753 5 1 JJBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587264051 JMLALJAUBQTZKT-KWKYVRJSSA-N 459.768 4.586 5 1 JJBF O=[N+]([O-])c1ccc(COc2ccccc2Nc2ncnc3cc4c(cc23)OCCOCCO4)cc1 1857596585 HHOYSIOHDKPZAE-UHFFFAOYSA-N 474.473 4.648 5 1 JJBF O=C(NC1CCCCC1)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774962 PXYSHPABQQDDBX-UHFFFAOYSA-N 453.426 4.847 5 1 JJBF O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 775037 ZBIFDCUKQSWLGR-WMZOPIPTSA-N 459.861 4.743 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)N1 587682311 RWGGDHPDWJNCAF-NIVTXAMTSA-N 486.135 4.819 5 1 JJBF COc1cc(OC(C)(C)COC(C)=O)c(COC(C)=O)c2c1c(=O)c1cc3ccccc3cc1n2C 40862648 MWYUYGRAGPSCNY-UHFFFAOYSA-N 491.540 4.637 5 1 JJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12/C(=C\c1ccccc1[N+](=O)[O-])N1CCC2CC1 587577379 SECGJPZPKHZFCW-AVHRUSQKSA-N 470.481 4.768 5 1 JJBF COc1ccc2c(c1OC)[C@](C)(c1ccc([N+](=O)[O-])cc1Cl)N(C(=O)c1ccccc1N)CC2 963147249 WREUGDOQMOBGKW-VWLOTQADSA-N 481.936 4.810 5 1 JJBF CC(=O)c1ccc(OC(C)(C)[C@@H]2OC[C@H](C/C=C\CCC(=O)O)[C@H](c3cccnc3)O2)c([N+](=O)[O-])c1 36242365 DKANVOYVQMYLKY-LYBRWQEESA-N 498.532 4.891 5 1 JJBF O=C(c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1)N1CCCC1 82135243 IFGVABNZEVHHNQ-UHFFFAOYSA-N 471.439 4.919 5 1 JJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587058029 ZMUBBABWTJRJDU-OAHLLOKOSA-N 496.705 4.922 5 1 JJBF COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587388602 DMCQQMKLFPRFDW-QHCPKHFHSA-N 462.458 4.558 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])N1CCC2CC1 587748254 SYGYFVGYWLPJLZ-BFGHQZNYSA-N 472.358 4.993 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2N)N1 587749813 ZMCSSUXEOYXVOA-MCMMXHMISA-N 456.315 4.905 5 1 JJBF O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c([N+](=O)[O-])ccc(O)c21 587341938 KUBKYYPFGLUMCT-YWEHKCAJSA-N 497.434 4.992 5 1 JJBF CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 587671299 VAMVNKWCNOBYTQ-UHFFFAOYSA-N 489.557 4.769 5 1 JJBF C[C@]1(COc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)Cn2cc([N+](=O)[O-])nc2O1 653796414 NIHASSDDJLBISC-HXUWFJFHSA-N 477.399 4.684 5 1 JJBF CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)OC4 29558713 NWWJENKFHKHQLF-FYTWVXJKSA-N 467.525 4.781 5 1 JJBF CCN(CC)CCC(=O)Nc1ccc2c(c1)c(=O)c1ccccc1n2Cc1cc(OC)cc(OC)c1 64513427 VJNJRJYZIPHNOK-UHFFFAOYSA-N 487.600 4.891 5 1 JJBF Cc1sc(N)c(C(=O)c2ccc(Cl)cc2)c1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 95552345 LLZNEOSUOOMOND-UHFFFAOYSA-N 470.982 4.754 5 1 JJBF CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccccc1[N+](=O)[O-] 114099213 IVZPMFBSMVAJGU-SFHVURJKSA-N 490.000 4.820 5 1 JJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)c(O)c2[nH]1 587055333 OTTYLVJDXMGWKM-CQSZACIVSA-N 467.707 4.720 5 1 JJBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587264512 NBJKBDFVPVKALF-WJWGPLDTSA-N 493.320 4.951 5 1 JJBF CCCCOc1ccc([N+](=O)[O-])cc1[C@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962694893 BXKKXTQOHXFZLE-MJGOQNOKSA-N 456.392 4.620 5 1 JJBF C[C@@](C(=O)O[C@H]1C[N+]2(CCc3cccc(F)c3)CCC1CC2)(c1cccs1)N1CCCCC1 73161195 MZAVVLWULQNHMR-XRFQPOIASA-N 471.662 4.983 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587754425 YPGNLOZRMNTVHP-QKVFXAPYSA-N 475.318 4.661 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2nn(C)cc2[N+](=O)[O-])N1 587754432 YPWPUWFIMKKYQP-JEOXALJRSA-N 461.291 4.646 5 1 JJBF CCOP(=O)(OCC)[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cc2cc(OC)ccc2[nH]c1=O 1857654977 MGJHMUUYGLDBRR-NRFANRHFSA-N 461.411 4.822 5 1 JJBF CC(C)OC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 45368810 CYUZDYTXUFMOPR-JKSUJKDBSA-N 460.508 4.718 5 1 JJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(I)c2[nH]1 587053993 IAUBRCDBZSSILX-HNNXBMFYSA-N 498.708 4.856 5 1 JJBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587119068 WSZYYSVNUADCDW-UHFFFAOYSA-N 488.142 4.704 5 1 JJBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 963134622 BATQAQVADMUUCI-MAUKXSAKSA-N 471.491 4.647 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577727 ONPWCOSLQAELSK-RCZVLFRGSA-N 473.441 4.545 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587754306 XYWBHAYCWIOLJD-LAJNKCICSA-N 475.318 4.661 5 1 JJBF Cc1ccc(S(=O)(=O)N(CCNCCCCN)Cc2c3ccccc3cc3ccccc23)cc1 13522118 WCZHKNXHKWNNIF-UHFFFAOYSA-N 475.658 4.821 5 1 JJBF CCCCn1c(=O)c2cc3c(cc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21)OCO3 71318073 ABBDVHWEHHPSLE-UHFFFAOYSA-N 461.358 4.996 5 1 JJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 586947890 BGOVLLHDVRVFPM-UHFFFAOYSA-N 478.317 4.949 5 1 JJBF O=[N+]([O-])c1ccc(OCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1F 587149476 SVHMCWDQALMNQH-UHFFFAOYSA-N 450.142 4.850 5 1 JJBF O=[N+]([O-])c1ccc(COc2cccc(Nc3ncnc4cc5c(cc34)OCCOCCO5)c2)cc1 1857533964 NUFFKGBVUUHBBZ-UHFFFAOYSA-N 474.473 4.648 5 1 JJBF O=C(O[C@H]1C[N+]2(CCSc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857557568 YDKILWXULISVAK-VTIINTLQSA-N 474.646 4.867 5 1 JJBF O=C(NCCCN1CCCC1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4054977 MQVMYVVFYDFLHP-IRLDBZIGSA-N 491.375 4.596 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(-c3ccncc3)c2c1 587620701 YYTNTVFYODOKMH-UHFFFAOYSA-N 492.435 4.966 5 1 JJBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 587946695 ZCWUDIDDGFYTRO-GFCCVEGCSA-N 462.503 4.833 5 1 JJBF COC(=O)c1cc(Br)c2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3C)nc2c1 586980236 SXUYZGAOVMIHAR-UHFFFAOYSA-N 469.089 4.758 5 1 JJBF O=C(O[C@H]1C[N+]2(CCCc3cccc(F)c3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857538959 WFNJQDOBZMZPFU-JUEZVXFGSA-N 474.596 4.847 5 1 JJBF C[C@@H]1[C@@H](NC(=O)c2ccc(S(=O)(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)CCC[C@H]1C 248125295 WPRZEZBEIDYKAF-KEYYUXOJSA-N 450.944 4.636 5 1 JJBF O=[N+]([O-])c1cccnc1NCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587268945 OFOIWAPVTJEMNE-UHFFFAOYSA-N 454.284 4.820 5 1 JJBF COc1ccc(Cl)c2c1CCN[C@@]2(C[C@H]1CCCC[C@H]1C(=O)O)c1cccc([N+](=O)[O-])c1 963257369 IWWWKKYSKWDQEV-RGNVDHMSSA-N 458.942 4.927 5 1 JJBF C[C@@](O)(CSc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857617879 HOJGRSXMBUPECB-OAHLLOKOSA-N 469.363 4.509 5 1 JJBF CCOC(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332428 GJCCJOLCTCMGFF-NOZRDPDXSA-N 465.433 4.647 5 1 JJBF COc1ccc(Cl)cc1-c1c(Cc2cccc([N+](=O)[O-])c2)nnc(O)c1Br 653739721 AWTXOPZTRMYDGX-UHFFFAOYSA-N 450.676 4.773 5 1 JJBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccccc1N 4080458 QVZHWYSVBTZVDF-BJKOFHAPSA-N 484.553 4.525 5 1 JJBF C[C@@H](Nc1ncnc2c1cc(-c1ccc(N)cc1)n2CCCCCC(=O)NO)c1ccccc1 138933032 XAXBZYMWDNYPBE-GOSISDBHSA-N 458.566 4.919 5 1 JJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587056877 VMIDVPAELCBPDR-LJQANCHMSA-N 456.865 4.576 5 1 JJBF CCCCCOc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br 587259633 GJKNGOGIOAHPSD-HZSPNIEDSA-N 452.349 4.555 5 1 JJBF Cn1ccnc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547073 SKAAGIVMHJCNCB-GBXCKJPGSA-N 477.860 4.593 5 1 JJBF COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574355 FRSPPXQLKXDECQ-DHLKQENFSA-N 458.426 4.803 5 1 JJBF COc1cc2c(cc1OC)[C@H](c1ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc1)N(C)[C@@H](C)C2 962577212 XWERCEONXDDFSS-LMKMVOKYSA-N 462.502 4.797 5 1 JJBF CCOC(=O)CCCCC[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962729307 HUOPWIAGOHCNSX-URXFXBBRSA-N 492.494 4.998 5 1 JJBF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 963170389 ADVBEDAQXDGHIH-NHYWBVRUSA-N 497.626 4.857 5 1 JJBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccccc1N 4080460 QVZHWYSVBTZVDF-ZEQRLZLVSA-N 484.553 4.525 5 1 JJBF O=C1C[C@@H](Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c2c(Br)cccc2O1 587004564 WYQJOKXQRDTUTL-MRVPVSSYSA-N 481.100 4.632 5 1 JJBF O=[N+]([O-])c1ccc(CSc2nc(O)c3c(n2)N=C2CCCC(O)=C2[C@H]3c2ccncc2)cc1 104056446 QPYBPEVIFAIJLJ-GOSISDBHSA-N 461.503 4.992 5 1 JJBF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1nn(C)cc1[N+](=O)[O-] 587752085 QCNMJJBXNIXHIE-GIPWTMENSA-N 491.317 4.654 5 1 JJBF CN(C)c1ccc2c(-c3cc(N4C(=O)C=CC4=O)ccc3C(=O)O)c3ccc(N(C)C)cc3[o+]c2c1 35166753 KTVDADGGDFOITB-UHFFFAOYSA-O 482.516 4.794 5 1 JJBF COCCNc1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] 587261812 JQFNKRZOOCTLJF-UHFFFAOYSA-N 459.222 4.978 5 1 JJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587169833 BJQNFMVQCXXQJL-UHFFFAOYSA-N 497.327 4.902 5 1 JJBF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC(F)F 587714080 GDCTVJPPTZCPKS-CQLKUDPESA-N 461.234 4.730 5 1 JJBF CCOc1cc([C@H]2c3cc(OC)ccc3CCN2C(C)C)ccc1Oc1nn(C)cc1[N+](=O)[O-] 962089432 JAIBYMXGCQNBOL-DEOSSOPVSA-N 466.538 4.884 5 1 JJBF COc1ccc2c(c1OC)C[N@+]1(Cc3ccc(C(=O)O)cc3)CCc3cc4c(cc3[C@@H]1C2)OCO4 1857552661 CQYSUINIZQQYFG-MUAVYFROSA-O 474.533 4.501 5 1 JJBF COc1ccc2c(c1OC)C[N@+]1(Cc3ccc(C(=O)O)cc3)CCc3cc4c(cc3[C@H]1C2)OCO4 1857552662 CQYSUINIZQQYFG-RNWIMVQKSA-O 474.533 4.501 5 1 JJBF O=C1c2ccc(O)cc2O[C@@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)[C@H]1c1ccc(F)cc1 587343492 UBANKLZCEORGMW-ZCYQVOJMSA-N 459.433 4.591 5 1 JJBF O=C1C[C@H](c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)Oc2c1ccc1c2CCCC1 587496614 JARWIMNPJSRYJF-LJQANCHMSA-N 472.295 4.780 5 1 JJBF COc1cc([C@@H]2NCC(C)(C)c3cc4c(cc32)OCO4)ccc1OCc1ccccc1[N+](=O)[O-] 963391627 VTCPAPSILNULSO-VWLOTQADSA-N 462.502 4.881 5 1 JJBF COc1cc2c(cc1OC)CN(CCCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 1772605511 KMLBJUJNEUQEJH-UHFFFAOYSA-N 453.461 4.881 5 1 JJBF O=C(NCCc1cccc(F)c1)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135582 PDXJKEFOECALSN-UHFFFAOYSA-N 463.513 4.908 5 1 JJBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)nn2)c1 587269659 LHIVVFRCLWKVDL-UHFFFAOYSA-N 453.178 4.500 5 1 JJBF COc1cc2c(cc1CC(C)(C)O)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 29125794 CWSWWLGVJROEDF-UHFFFAOYSA-N 463.490 4.902 5 1 JJBF CC(C)(C)n1ncc(OCc2nnc(-c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)o2)c(Cl)c1=O 103217200 QQTBELQXHMISNP-UHFFFAOYSA-N 492.678 4.635 5 1 JJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 586949565 YTSDNMUQKBNHNQ-UHFFFAOYSA-N 478.317 4.949 5 1 JJBF O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 43023050 NVEZMQGUUUDQFV-QZLZOZNSSA-N 472.605 4.544 5 1 JJBF O=C(Nc1cccc(F)c1)Nc1nc(Nc2ccc(C(=O)O)cc2)c2cc([N+](=O)[O-])ccc2n1 71317131 NJIAPCDZHKPOER-UHFFFAOYSA-N 462.397 4.763 5 1 JJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4ncc(C(F)(F)F)cc4[nH]3)cc2)nc1C(F)(F)F 587119609 ZFJQQIMTKNZLRN-UHFFFAOYSA-N 456.306 4.816 5 1 JJBF Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(NC3CCCCCC3)c([N+](=O)[O-])c2)c1 13878848 LDDOBEKETUTSAK-QFIPXVFZSA-N 452.555 4.693 5 3 JJBF O=[N+]([O-])c1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)nn1CC(F)(F)F 587092126 MQOFCSIDOADKBD-UHFFFAOYSA-N 458.116 4.678 5 1 JJBF O=[N+]([O-])c1cc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2cc1Cl 587106917 DKHLYNGHLDAXIO-CQSZACIVSA-N 474.848 4.669 5 1 JJBF COc1ccccc1CCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc([N+](=O)[O-])c1 82135942 SWZZBAKFXAAWIN-UHFFFAOYSA-N 487.516 4.546 5 1 JJBF Cc1ccc(-c2ccc([C@@H]3c4ccccc4C[C@]4(C5CCC5)C(=O)NC(=O)N34)o2)c([N+](=O)[O-])c1 962663050 JHCMAARXFALXEJ-OZXSUGGESA-N 457.486 4.899 5 1 JJBF O=C1c2ccccc2-c2cc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc3ccc(O)c1c23 586986985 INLZDQDXLDCTFR-UHFFFAOYSA-N 453.454 4.564 5 1 JJBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)(F)F 587551001 XBJOTKOSPGEUPO-KNQAVFIVSA-N 491.374 4.953 5 1 JJBF NC(=S)N1N=C(c2ccc(Br)c(Br)c2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 53313880 VUIGVGSVNFDIKW-OAHLLOKOSA-N 484.173 4.515 5 1 JJBF O=[N+]([O-])c1cccc(CCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1 587270773 TVSIJMFFJJMKTB-UHFFFAOYSA-N 456.911 4.711 5 1 JJBF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 100028538 ATOVTJIRCNOBJZ-HFEWCJDKSA-N 451.479 4.628 5 1 JJBF CC(C)COc1cc(C(=O)Nc2ccc(C(=O)O)cc2OCc2ccccn2)ccc1[N+](=O)[O-] 299852444 SDQVYDHVIKCJQX-UHFFFAOYSA-N 465.462 4.554 5 1 JJBF O=C(N[C@@H](c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccccc1 587219711 PUPFLOZOJDQLPX-KRWDZBQOSA-N 451.280 4.753 5 1 JJBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587273351 HFOFJFWYXJXEHX-GFCCVEGCSA-N 458.400 4.742 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3nn(C)cc3[N+](=O)[O-])cc2)N1 587752849 SZTCJJPXDDQSGT-WYRIXSBYSA-N 461.291 4.646 5 1 JJBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCCCc2ccc(OC)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 169723585 OKKUKHGCYSTZHB-ZCYQVOJMSA-N 494.544 4.791 5 1 JJBF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2F)c1 587143349 CYUYLRICGSPGOR-UHFFFAOYSA-N 452.354 4.559 5 1 JJBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CS[C@H]3c3ccncc3)c2c1 1857760140 CKPGLAUWPKVHIM-VWLOTQADSA-N 479.005 4.943 5 1 JJBF CCCCCOc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 586920758 XQWHWNMUKIITIM-UHFFFAOYSA-N 482.356 4.777 5 1 JJBF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(F)F 587717242 KWSQGJQIPYXHPS-ZRNGKTOUSA-N 475.261 4.773 5 1 JJBF NC(=S)N1N=C(c2ccc(Br)c(Br)c2)C[C@H]1c1ccc([N+](=O)[O-])cc1 53313879 VUIGVGSVNFDIKW-HNNXBMFYSA-N 484.173 4.515 5 1 JJBF COc1nc([N+](=O)[O-])cn1C[C@@H](OCc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1F 66098947 QNUXTKMXRFVZKB-QGZVFWFLSA-N 473.354 4.935 5 1 JJBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2coc(-c3ccc([N+](=O)[O-])cc3)n2)N1 963190065 NUHNXFQFLSBLTB-CXAGYDPISA-N 467.787 4.610 5 1 JJBF O=C(O)CCCCCCCOc1ccc(NC(=O)c2c(O)nc3ccc([N+](=O)[O-])cc3c2O)cc1 13440355 IMZSHAPVERWPQP-UHFFFAOYSA-N 483.477 4.611 5 1 JJBF Cc1cc(OCCn2c(O)ccc2OCCn2c([N+](=O)[O-])cnc2C)c(C(C)C)cc1Cl 587943246 RUNJYOXHTPWVCG-UHFFFAOYSA-N 462.934 4.850 5 1 JJBF O=C(c1ccco1)N1CCC(N2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)CC1 84466394 RXUCYGRFNVMPMN-UHFFFAOYSA-N 467.569 4.649 5 1 JJBF COc1cc(OC)c2c(c1)O[C@@H](c1cc(OC)c(OC(=O)Nc3ccccc3)c([N+](=O)[O-])c1)CC2=O 98085159 OEJZESWOHWQGAQ-LJQANCHMSA-N 494.456 4.938 5 1 JJBF C[C@@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2c1 35079466 NXWHGMSIVVPFJT-GFCCVEGCSA-N 458.879 4.781 5 1 JJBF CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587220270 RFTPOFLTULBJFN-MRXNPFEDSA-N 472.473 4.700 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3ccco3)c2c1 587620574 VVLRNOIVIFQCIN-UHFFFAOYSA-N 491.428 4.647 5 1 JJBF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](Cc2ccccc2[N+](=O)[O-])(C2CC2)N1 963184999 JZEVAAJVCOBQAH-FXAWDEMLSA-N 454.832 4.714 5 1 JJBF COc1ccc2c(c1OC)C[N@@+]1(Cc3ccc(C(=O)O)cc3)CCc3cc4c(cc3[C@H]1C2)OCO4 1857552659 CQYSUINIZQQYFG-BTYSJIOQSA-O 474.533 4.501 5 1 JJBF O=C(NCC1CCCCC1)c1ccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1 82081730 RDRNOJAAZRHKPL-UHFFFAOYSA-N 478.574 4.958 5 1 JJBF O=C(N=c1ssc(=Nc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)NCc1ccccc1 2356818521 OLYCCRXTGOIHKW-UHFFFAOYSA-N 463.544 4.551 5 1 JJBF CCCNC(=O)c1ccc(N2CCC3(CC2)CC(c2ccc(Cl)cc2)=NO3)c([N+](=O)[O-])c1 15935491 VCNHNDCDWOWWTJ-UHFFFAOYSA-N 456.930 4.552 5 3 JJBF CN(C(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1 82214842 MQFXSHMEVNHOIX-UHFFFAOYSA-N 489.532 4.797 5 1 JJBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 100009339 XEMMMYRHLQVPBM-LSJTZCTPSA-N 491.544 4.661 5 1 JJBF COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098285 PTHPLCKBYHAHRR-UHFFFAOYSA-N 453.454 4.853 5 1 JJBF COCCNc1ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1[N+](=O)[O-] 587261449 BTBYJUIAVSXJMV-UHFFFAOYSA-N 475.221 4.858 5 1 JJBF Cc1sc2c(c1C)CCN[C@]21CCCC(=O)[C@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 963012920 ROGLHPKSVGOZNG-RXVVDRJESA-N 466.481 4.885 5 1 JJBF CC(C)(C)OC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3[N+](=O)[O-])c2)cc1 3944119 SGMIAJPDIKOVLS-UHFFFAOYSA-N 497.529 4.603 5 1 JJBF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1 587119098 VQAGVXJTBNESBC-UHFFFAOYSA-N 473.411 4.507 5 1 JJBF CCOC(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345566 ZZSUHRCELXCGCV-NOZRDPDXSA-N 465.433 4.647 5 1 JJBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(C(=O)OC)c(Br)cc1Cl 587935517 BKQABRAQOIAKQF-SNVBAGLBSA-N 475.723 4.815 5 1 JJBF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 586953891 UQODFPVVYNERNS-UHFFFAOYSA-N 458.528 4.584 5 1 JJBF O=[N+]([O-])c1cc(-c2nc3c(O)nc(S)nc3[nH]2)ccc1Sc1nc2ccccc2s1 587038055 PSSBZASMWWUCIX-UHFFFAOYSA-N 454.518 4.683 5 1 JJBF COC(=O)c1cc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2c(F)c1Nc1ccccc1 587263626 XLJCWFJDHBIRNJ-UHFFFAOYSA-N 466.425 4.728 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2nccn2C)N1 587698033 YBHCGDPYGYYEQU-BIBXISHDSA-N 479.737 4.709 5 1 JJBF CC(=N)N1CCC(Oc2ccc3c(nc(C)n3Cc3ccc4ccc(C(=N)N)cc4c3)c2[N+](=O)[O-])CC1 13441127 AMHANGMCUDSEIH-UHFFFAOYSA-N 499.575 4.579 5 1 JJBF COc1cc2c(cc1OC)[C@H](c1c(-c3ccc([N+](=O)[O-])cc3)nc3sccn13)N(C)[C@@H](C)C2 962566806 JAFJRZRXAYXAIR-RCDICMHDSA-N 464.547 4.954 5 1 JJBF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC(C)(C)c1ccc([N+](=O)[O-])o1 1772620834 GSOJKBWGMDWZOY-UHFFFAOYSA-N 471.462 4.767 5 1 JJBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214687 WDDNEAFBZWZQKA-UMSONDCASA-N 451.951 4.682 5 1 JJBF O=C(NCCC1=CCCCC1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081266 BWQWBTYXFAFGED-GOSISDBHSA-N 468.579 4.577 5 1 JJBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 587871973 RGIZPWCIPVFCGC-UHFFFAOYSA-N 451.410 4.857 5 1 JJBF Cc1ccc2c(Nc3nc(N4CCOCC4)ncc3[N+](=O)[O-])c(C(=O)c3ccc(Cl)cc3)[nH]c2c1 1772619908 NSUUDDVPBATPDG-UHFFFAOYSA-N 492.923 4.639 5 1 JJBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccccc1OC 4275063 ZRAFWFWGMKMGRT-DNQXCXABSA-N 483.521 4.662 5 1 JJBF Cn1ccc2ccc3c4[nH]c5c(CCCN[C@H]6CC[C@H](O)CC6)cccc5c4c4c(c3c21)C(=O)NC4=O 100373880 SDUWPCYMTHMQAZ-KDURUIRLSA-N 494.595 4.675 5 1 JJBF Nc1ncc(Cl)nc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587087439 QJBSWTDYKZTHGG-UHFFFAOYSA-N 499.870 4.538 5 1 JJBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587260694 ZEXPTCLWTFIUMC-BMFZPTHFSA-N 472.339 4.565 5 1 JJBF COC(=O)c1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1 587265546 WAINHXRSKUFQLV-UHFFFAOYSA-N 465.397 4.639 5 1 JJBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCn3c([N+](=O)[O-])cnc3C)c(OCC)c1)CC2=O 587469385 DHAQJZZUNOAMFC-QHCPKHFHSA-N 495.532 4.942 5 1 JJBF CCOC(=O)c1c(C2CCN(C(=O)OCc3ccccc3)CC2)[nH]c2cc([N+](=O)[O-])ccc12 587648630 JJAMGNCVHIBTMV-UHFFFAOYSA-N 451.479 4.769 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 587754051 XNPAMJVXERKEGH-SPSFWMDKSA-N 467.294 4.867 5 1 JJBF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)NCC2 962927967 GCKUGBUOEUGNGU-QHCPKHFHSA-N 451.910 4.977 5 1 JJBF O=c1c(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 587112800 ZUIJGZHIAJMJRV-UHFFFAOYSA-N 483.328 4.781 5 1 JJBF Cc1nn(Cc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c(C)c1[N+](=O)[O-] 587748459 UWDVQPUHFLCIFQ-APBUJDDRSA-N 463.307 4.575 5 1 JJBF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1nn(C)cc1[N+](=O)[O-] 587752090 QCNMJJBXNIXHIE-YBTHPKLGSA-N 491.317 4.654 5 1 JJBF CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 29124559 VYNPEVWYFCVEKU-UHFFFAOYSA-N 483.509 4.874 5 1 JJBF O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1cccs1)C1CCCC1 34315727 MTYMLJSBEPCLGC-SETCOJICSA-N 470.655 4.747 5 1 JJBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587262170 FMKBWUWLDBRSGV-KCPJHIHWSA-N 492.429 4.634 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CC3)c(C(=O)C(F)(F)F)c2c1 587620254 TUFDKTLDLNVXHB-UHFFFAOYSA-N 483.424 4.508 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3ccccc3[N+](=O)[O-])c2c1 587620904 JKXMKBBQOGQSTA-UHFFFAOYSA-N 496.501 4.693 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)N1 587675724 APBVLMBIUOLQBD-LZVRBXCZSA-N 486.135 4.819 5 1 JJBF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O[C@@H](C)c1ccc([N+](=O)[O-])o1 1772616755 JVQVLEIOTWAUMI-ZDUSSCGKSA-N 457.435 4.593 5 1 JJBF Cc1ccc(CNc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82135580 XZVQJYLBODZYIT-UHFFFAOYSA-N 475.480 4.677 5 1 JJBF O=c1nc(N2CCN(CCCCc3ccccc3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 299830133 MXLQKVYWDWGMAL-UHFFFAOYSA-N 492.523 4.728 5 1 JJBF CN(C)CCC[N+](C)(C)CCCn1c2ccccc2[n+]2nc3c(cc12)-c1cccc2cccc-3c12 299844668 PLWIUZPYESMGGW-UHFFFAOYSA-N 465.645 4.994 5 1 JJBF Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576115 MOROBHPZJLFGIQ-BVAGGSTKSA-N 454.438 4.788 5 1 JJBF CCOc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2N)cc1 587620777 GBEUHQCYEFIMOU-UHFFFAOYSA-N 482.518 4.533 5 1 JJBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CS[C@@H]3c3ccncc3)c2c1 1857760139 CKPGLAUWPKVHIM-RUZDIDTESA-N 479.005 4.943 5 1 JJBF CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4208381 VATCJNHYEHVFRY-IQXLRZELSA-N 480.348 4.517 5 1 JJBF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587000304 QCZFLBJEQUCJBX-UHFFFAOYSA-N 459.259 4.901 5 1 JJBF COCCOc1ccc(-c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)cc1[N+](=O)[O-] 587265183 MALUGIIYAHSQLM-UHFFFAOYSA-N 487.472 4.889 5 1 JJBF COc1ccc2cc3n(cc-2/c1=N/CCc1ccc([N+](=O)[O-])cc1)CCc1cc2c(cc1-3)OCO2 169725113 RNYPFNPXZQOOJY-DQSJHHFOSA-N 469.497 4.605 5 1 JJBF O=[N+]([O-])c1cccc(CCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1 587269815 HEQGVMNXPCJFLF-UHFFFAOYSA-N 456.911 4.711 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)N1 587751482 MYACWHISUKAXJG-QKFKETGDSA-N 481.325 4.970 5 1 JJBF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587111434 CRVSUYVZHACPEK-KRWDZBQOSA-N 471.233 4.652 5 1 JJBF O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 775038 ZBIFDCUKQSWLGR-AEFFLSMTSA-N 459.861 4.743 5 1 JJBF CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)CC1 13814844 VQVVXSALLAVZRC-XVNBXDOJSA-N 480.373 4.757 5 1 JJBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C(=O)Oc3ccccc3)CC2)c(F)c1 103245451 TUWDRSQIERZYNJ-MDWZMJQESA-N 490.491 4.707 5 1 JJBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc([N+](=O)[O-])c1 587137043 QBTJQPGGUDJNJS-UHFFFAOYSA-N 454.483 4.503 5 1 JJBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](c2cccc([N+](=O)[O-])c2)(c2ccccn2)N1 963193213 ZAADKKITEDOSEY-IERDGZPVSA-N 477.826 4.553 5 1 JJBF CCN(CC)CCCn1c(=O)c2cc(OC)c(OC)cc2c2ccc3cc4c(cc3c21)OCO4 1857761758 SZKMOVXVZLVZEA-UHFFFAOYSA-N 462.546 4.786 5 1 JJBF CCCCNC(=O)c1cnc(NCCc2ccc(OCC)c(OC)c2)nc1-c1cccc([N+](=O)[O-])c1 82134802 LRZLOPHJHBODGB-UHFFFAOYSA-N 493.564 4.644 5 1 JJBF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](NCCNc3ccc(C[N+](=O)[O-])cn3)CC[C@H]12 299872379 DIUNUIFNQPGKAT-CMSSPHMHSA-N 464.610 4.793 5 1 JJBF aggregator O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 586920431 JQXCGFSIZQRHRM-UHFFFAOYSA-N 450.501 4.722 5 1 JJBF COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c1)[C@@H](C2)C3=O 587432427 KBBXFFMNCUHIDS-FNZWTVRRSA-N 458.470 4.827 5 1 JJBF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(C)c1cc2c(cc1[N+](=O)[O-])OCO2 961781347 JEBICFXYGZUGEX-VWLOTQADSA-N 467.522 4.738 5 1 JJBF CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(C)c2ccsc2CCN1Cc1ccco1 962701046 CRVNWFPAXPAZFB-NZQKXSOJSA-N 469.519 4.879 5 1 JJBF CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)NC(=O)N1 84632572 DZEVSOYTNRNDKJ-RUZDIDTESA-N 494.511 4.714 5 1 JJBF COc1ccc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1COc1ccc(C)cc1[N+](=O)[O-] 963031897 RSJMAENBXIFODV-MYUZEXMDSA-N 473.529 4.634 5 1 JJBF COc1cc2c(cc1OC)[C@@H](Cc1ccc(Oc3cc(C(=O)O)ccc3O)cc1)[N+](C)([O-])CC2 13372704 YTMHHLJMBBIVIK-XJQHNOHDSA-N 465.502 4.684 5 1 JJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc2)nc1C(F)(F)F 587119042 UMSQIOABWIYXTL-UHFFFAOYSA-N 459.384 4.563 5 1 JJBF COc1cc2c(cc1OC)[C@@](c1cccc([N+](=O)[O-])c1)(C1CC1)N(C(=O)c1ccccc1N)CC2 963143756 UKKVJECSMBPWRI-MHZLTWQESA-N 473.529 4.546 5 1 JJBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 100235454 VYHIJYQMAJYKEO-ZZIWUOEGSA-N 479.533 4.518 5 3 JJBF in-vitro COP(=O)(OC)[C@H](OC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 103205051 IMWHYOYRCYCEBH-KRWDZBQOSA-N 463.301 4.720 5 1 JJBF CS(=O)(=O)c1ccc2cc([C@H](O)C[C@H]3CCCCN3)c3ccc(C(F)(F)F)cc3c2c1 169339442 FTVGFDBBBXJAAM-OPAMFIHVSA-N 451.510 4.981 5 1 JJBF COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCc2ccccc2F)c([N+](=O)[O-])cc1OC 775979 CEXSIQCCNDDRBK-UHFFFAOYSA-N 457.458 4.634 5 1 JJBF O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 1857641715 PATMYSWCNGCHOB-UHFFFAOYSA-N 481.512 4.800 5 1 JJBF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2c1 586973055 MONBDEBJAINWBH-UHFFFAOYSA-N 462.597 4.917 5 1 JJBF O=C1c2cccc3cccc(c23)C(=O)N1CCCCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 1857568328 WPBPWIAMOQOWJZ-UHFFFAOYSA-N 486.572 4.727 5 1 JJBF O=C(NCCc1ccc(F)cc1)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 773374 GHQFSLBRISPHAV-UHFFFAOYSA-N 493.422 4.896 5 1 JJBF CCN(C)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc([N+](=O)[O-])cc1 82149894 KUUDLRBBIZZZQI-UHFFFAOYSA-N 459.428 4.775 5 1 JJBF COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587747466 OAUAYRUOUZHAQO-XZSINXGWSA-N 463.303 4.502 5 1 JJBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148901 SULVGCWVDXVYNG-RBUKOAKNSA-N 451.571 4.939 5 1 JJBF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587198892 VARCRLKEHWOCLF-UHFFFAOYSA-N 466.295 4.759 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 587750889 KHCCJOOGJKNTHT-BSEYFRJRSA-N 496.336 4.821 5 1 JJBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)N1 963202606 ZUFPRYJSDXNBSE-BMIGLBTASA-N 484.736 4.854 5 1 JJBF CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc2c(c1)CCN(Cc1ccc([N+](=O)[O-])o1)C2 1857618764 LMDUFUSOVCEHRO-UHFFFAOYSA-N 493.951 4.540 5 1 JJBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214693 WDDNEAFBZWZQKA-SEVLPDGMSA-N 451.951 4.682 5 1 JJBF O=[N+]([O-])c1cc(Br)cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587018604 JRHLBHOZSPVQNR-UHFFFAOYSA-N 473.308 4.719 5 1 JJBF Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)Cc4ccccc4)ccc3n(C)c12 26289973 SONNJBMVVVOHQN-UHFFFAOYSA-N 494.595 4.628 5 1 JJBF COc1cc([C@@H]2c3cc4c(cc3CCN2c2ccc([N+](=O)[O-])cc2)OCCO4)cc(OC)c1OC 1857746128 WGEAGOOAHYLKSX-RUZDIDTESA-N 478.501 4.544 5 1 JJBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215823 QEYQRMVBJZROEN-PXNLJIHASA-N 453.967 4.785 5 1 JJBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149769 XHOYDPCEXVMRQI-FCGDIQPGSA-N 451.571 4.652 5 1 JJBF COc1cc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])cc1OC 587341660 ZOUKBXBNQSUHLU-ZCYQVOJMSA-N 467.449 4.817 5 1 JJBF Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576118 MOROBHPZJLFGIQ-JYFHCDHNSA-N 454.438 4.788 5 1 JJBF Cc1nn(-c2ccccc2)c(Oc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)c1[N+](=O)[O-] 1772637845 BMQIGBHOMOHWQO-UHFFFAOYSA-N 454.446 4.523 5 1 JJBF C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@H]1c1cccc([N+](=O)[O-])c1 103189576 SCQLIQIBCHUZKS-LZVRBXCZSA-N 490.752 4.628 5 1 JJBF 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495.374 4.789 5 1 JJBF CCOC(=O)c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]c2ccc(S(C)(=O)=O)cc12 587650185 YXLVLSAKRMGKHM-UHFFFAOYSA-N 457.291 4.630 5 1 JJBF CC1CCN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)CC1 82135714 REWUKAUVOGOREU-UHFFFAOYSA-N 463.513 4.718 5 1 JJBF O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN1C(=O)c1ccc(O)c(-c2cccc([N+](=O)[O-])c2)c1 206899422 LWPJHJTWXVAWIW-JWQCQUIFSA-N 485.540 4.766 5 1 JJBF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c1cccc2[N+](=O)[O-] 587574327 FFUHKSRLIOUSPB-HOFKKMOUSA-N 465.417 4.750 5 1 JJBF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 26388118 ATOVTJIRCNOBJZ-IAMBOQNYSA-N 451.479 4.628 5 1 JJBF COc1cc2c(cc1OCCNC(=O)c1cccc3cc4ccccc4nc13)N=C[C@@H]1CCCN1C2=O 28372723 MEVICIBVAINNRK-FQEVSTJZSA-N 494.551 4.526 5 1 JJBF Cc1ccc2c(Cc3nn4c(CN5CCOCC5)c(-c5ccc([N+](=O)[O-])cc5)nc4s3)coc2c1 40949317 IZFGNDCPEXYBBY-UHFFFAOYSA-N 489.557 4.844 5 1 JJBF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1cc(F)ccc1[N+](=O)[O-] 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CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(I)cnc2[nH]1 586968471 DXEAAHWELHKGCU-UHFFFAOYSA-N 454.293 4.886 5 1 JJBF Cc1c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979310 ASMMBJDAVFVBMI-UHFFFAOYSA-N 455.062 4.670 5 1 JJBF CC(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341449 JKDQCXZGKHVLBZ-OZXSUGGESA-N 478.476 4.623 5 1 JJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O 587647581 JIIOHNXBOKVHFK-XZOQPEGZSA-N 471.425 4.843 5 1 JJBF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](Cc2ccccc2[N+](=O)[O-])(C2CC2)N1 963185015 JZEVAAJVCOBQAH-YLJYHZDGSA-N 454.832 4.714 5 1 JJBF O=C(O)c1cc2[nH]c(C3CC4(COC4)C3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586916381 LWEDLLXAAXZHFL-UHFFFAOYSA-N 468.465 4.739 5 1 JJBF C[C@]1(CC(=O)Nc2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338549 CTKJZJZZIOIOFU-LADGPHEKSA-N 450.422 4.586 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587750930 KNIJUBYPPKVWHY-LAJNKCICSA-N 475.318 4.661 5 1 JJBF O=C1NCc2c1c1c3cc(/C=C/Cn4ccnc4)ccc3n3c1c1c2c2ccccc2n1C[C@H](CO)C3 28819599 OFYGMIJOYCZKPM-RTLBZRNLSA-N 487.563 4.678 5 1 JJBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587266868 BQPMJPNCLKZKOO-ZDUSSCGKSA-N 456.300 4.927 5 1 JJBF [O]C(=C1C=CN(CC(=O)c2ccc(I)c([N+](=O)[O-])c2)C=C1)c1ccccc1 2356811224 HUZHTQTVGBTDLZ-UHFFFAOYSA-N 473.246 4.567 5 1 JJBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Br)c(Br)cc3[nH]2)c1 587261410 BEQLVPVDNASTIH-UHFFFAOYSA-N 455.106 4.926 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Oc3ccccc3[N+](=O)[O-])c2c1 587621208 QLSHKVQUEQXSQU-UHFFFAOYSA-N 498.473 4.894 5 1 JJBF COc1c(OC(F)F)ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] 587717678 MAXMKOOWRJJAMI-AYVTZFPOSA-N 461.234 4.730 5 1 JJBF Cn1c2ccccc2c(=NCCN2CCCCC2)c2oc3ccc(OCC[N+](C)(C)C)cc3c21 1772603927 HITJRDDNZSLXCC-UHFFFAOYSA-N 461.630 4.549 5 1 JJBF O=C(NCc1ccc2c(c1)CCN(Cc1ccc(Cl)cc1)C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1857768490 XKEFKNXRJUQDRJ-UHFFFAOYSA-N 480.908 4.645 5 1 JJBF O=C(c1cccs1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 66262225 RAXSTVWQMZFMTA-XSARVHFWSA-N 459.527 4.565 5 1 JJBF CCCCNC(=O)c1cnc(NCCc2ccc(OCC)c(OC)c2)nc1-c1ccc([N+](=O)[O-])cc1 82148206 VYSWUABTYCOYEH-UHFFFAOYSA-N 493.564 4.644 5 1 JJBF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)N2 587030591 GCRYTZYXEGOXQH-VYJZUSIPSA-N 460.497 4.506 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587577824 PHMWSEMVHDLOMH-DHLKQENFSA-N 473.441 4.545 5 1 JJBF CN1C(=O)C[C@@H]2CN[C@H](c3ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o3)c3cccc1c32 963021420 GXPJCPGOHUHRGU-ZLOXQWCVSA-N 453.882 4.563 5 1 JJBF O=[N+]([O-])[C@H]1[C@@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@@H]1c1ccc(O)cc1 13521592 INEZMESPIHIHHF-MZYLBHOOSA-N 468.351 4.926 5 1 JJBF C[C@H](N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 36476043 KFPHFFIKCBRUCO-PKKBDPGCSA-N 453.564 4.688 5 1 JJBF C[C@@](C(=O)O[C@H]1C[N+]2(CCC3=C[C@H]4CCO[C@H]4C=C3)CCC1CC2)(c1ccccc1)N1CCCCC1 73161794 AIMRQTXCPBQWFD-VSAZJDDISA-N 491.696 4.831 5 1 JJBF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149451 BIFFQMDBVHFEGM-ROUUACIJSA-N 477.540 4.964 5 1 JJBF Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@H](c1cccc([N+](=O)[O-])c1)NC(N)=N2 103238814 JSFCJWIQNLJBBB-QFIPXVFZSA-N 469.530 4.936 5 1 JJBF O=C(NCCc1ccccc1F)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 773737 FGVRIQPLMONPTL-UHFFFAOYSA-N 493.422 4.896 5 1 JJBF CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1[N+](=O)[O-] 13831907 IXMJCBAYROCMQD-LICLKQGHSA-N 469.519 4.653 5 1 JJBF COc1cc(OCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1[N+](=O)[O-] 587263206 ORDXHVDCFBMNPO-UHFFFAOYSA-N 462.178 4.720 5 1 JJBF CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21 587697558 WPKHYEGXRUAMAK-PRWKNARSSA-N 485.737 4.881 5 1 JJBF O=C(c1cccs1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 66262223 RAXSTVWQMZFMTA-DYZUWXGSSA-N 459.527 4.565 5 1 JJBF C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@@H]1C2(C)C 82134776 OABMUTYFUHFZTO-IIPCHUTBSA-N 463.582 4.843 5 1 JJBF CNC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)c1nc(NC3CC3)ncc12 199792760 FQHYUKAAVDREIZ-UHFFFAOYSA-N 452.440 4.874 5 1 JJBF CCCOc1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cc1Br 586926320 NFNLQYQDSMJWJI-UHFFFAOYSA-N 488.747 4.746 5 1 JJBF O=S(=O)(Cc1nc2c3cccnc3c3ncccc3c2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950600 HMDUNULNNCBESR-UHFFFAOYSA-N 472.574 4.592 5 1 JJBF COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334403 JIYAWZBPCAWIHL-ZCYQVOJMSA-N 480.448 4.595 5 1 JJBF O=c1c(-c2ccccc2[N+](=O)[O-])coc2c1c(O)cc1occ(-c3ccccc3[N+](=O)[O-])c(=O)c12 653870660 BRVZLEHZSCOALY-UHFFFAOYSA-N 472.365 4.755 5 1 JJBF N[C@@H](CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271303 DZSXWWLTVVWXKB-KRWDZBQOSA-N 472.530 4.646 5 1 JJBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)F 587553603 FVVKQNWDHPZCBQ-REWPJTCUSA-N 473.384 4.656 5 1 JJBF COCCOc1ccc(-c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)cc1[N+](=O)[O-] 587266472 YLFNYIVLEBXAEK-UHFFFAOYSA-N 463.446 4.742 5 1 JJBF COC(=O)c1cccc(Oc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])c1 587434031 PBUAETMWTTYRBQ-KOSHJBKYSA-N 461.426 4.671 5 1 JJBF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 773624 WYKKQFIOLZUIIN-YVEFUNNKSA-N 461.877 4.846 5 1 JJBF CCN(CC)CCC(=O)Nc1ccc2cc3ccc(NC(=O)CCN(CC)CC)cc3nc2c1 26495952 FPJWQLFLSFLXOX-UHFFFAOYSA-N 463.626 4.729 5 1 JJBF COC(=O)[C@@H]1CCCCN1Cc1cc2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 103175457 BARCRTBJOAKKLX-NRFANRHFSA-N 453.535 4.555 5 1 JJBF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cc([N+](=O)[O-])c(C)cc3[nH]1)C(=O)OC2 586915226 JJEKMHSNEACURE-LFYBBSHMSA-N 451.479 4.594 5 1 JJBF O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(F)cc1 587169619 FCDQPDVUTHVCJU-VWLOTQADSA-N 483.528 4.866 5 1 JJBF CS(=O)(=O)c1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586925378 HLJRAWKXZWZBRS-UHFFFAOYSA-N 470.212 4.747 5 1 JJBF N[C@@H](Cc1ccc(I)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587185659 MGHSUPZAPDIDBC-INIZCTEOSA-N 465.298 4.506 5 1 JJBF O=C1NCc2c1c1c3cc(Br)ccc3n3c1c1c2c2ccccc2n1C[C@@H](CO)C3 28819526 YBEODDCUCSWRHI-GFCCVEGCSA-N 460.331 4.530 5 1 JJBF CCCCOc1ccc(C[N@+]2(C)[C@H]3CC[C@@H]2C[C@@H](OC(=O)[C@@H](CO)c2ccccc2)C3)cc1 254085942 ALVDDLOWVXJXCD-GQSOHLTDSA-N 452.615 4.825 5 1 JJBF CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 586928729 IYSHCYGNQXAWAR-UHFFFAOYSA-N 492.001 4.812 5 1 JJBF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1[N+](=O)[O-] 587514424 XSVQEKDHKXPTLN-MHZLTWQESA-N 469.449 4.625 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])N1 587701395 XKPQJHNTVLLALK-DGIBIBHMSA-N 470.726 4.928 5 1 JJBF COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587749869 ZVUHQQHDPHOFBZ-GTJPDFRWSA-N 460.303 4.919 5 1 JJBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962702663 SCNPZPFFJZJZEM-DVECYGJZSA-N 486.421 4.670 5 1 JJBF Cc1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1O 29235091 IODFMQNFOCMKSB-UHFFFAOYSA-N 455.810 4.654 5 1 JJBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C 587943160 OFJFJOQFNZFAFR-SNVBAGLBSA-N 460.256 4.731 5 1 JJBF CCNC(=O)c1csc([C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)c2cccc3ccccc23)n1 29233059 BAXNZFTYFFRSMD-NRFANRHFSA-N 474.542 4.668 5 1 JJBF O=C1C[C@@H]2OCC=C3C[N+]4(Cc5ccc6ccccc6c5)CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]64 43910923 XGFSECKOYNLTFU-AQHLSBRRSA-N 475.612 4.961 5 1 JJBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587276949 OVVWXERBRHVAQE-ZDUSSCGKSA-N 456.300 4.813 5 1 JJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 587859721 HKZLRZIGBRMOKB-UHFFFAOYSA-N 476.276 4.690 5 1 JJBF CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1Cl 1857591357 YKYYDVOMNMXOFY-OAQYLSRUSA-N 496.944 4.766 5 1 JJBF O=C(NCc1ccccc1)c1ccc(N2CCC3(CC2)CC(c2ccccc2)=NO3)c([N+](=O)[O-])c1 15935304 VEEHCKAGORHMKI-UHFFFAOYSA-N 470.529 4.688 5 3 JJBF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc([N+](=O)[O-])cc1 82150358 OJTBXCQJMIINAD-UHFFFAOYSA-N 459.550 4.950 5 1 JJBF Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)NC(N)=N2 103238816 KVXROGSGLFTWMX-JOCHJYFZSA-N 469.530 4.936 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)cc(F)c2[nH]1 587261327 AZTGKVJHIGOBGL-VIFPVBQESA-N 452.236 4.724 5 1 JJBF CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)nc2c1 587264479 GDGBZKRFWYCFEL-UHFFFAOYSA-N 498.337 4.939 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587748622 AOUPYUYEOJDGGI-QKVFXAPYSA-N 475.318 4.661 5 1 JJBF COc1cc2ncnc(NCc3cccc(NC(=O)Nc4ccc([N+](=O)[O-])cc4)c3)c2cc1OC 653784984 NOMHZODGRVFULV-UHFFFAOYSA-N 474.477 4.811 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 587754048 XNPAMJVXERKEGH-MYODQAERSA-N 467.294 4.867 5 1 JJBF CC(C)OC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 45368804 CYUZDYTXUFMOPR-HOTGVXAUSA-N 460.508 4.718 5 1 JJBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1 774006 YMJKNAJOROJKFF-PKOBYXMFSA-N 471.897 4.612 5 1 JJBF CC(C)CCCCCCCCC[C@@H](C)C(=O)OC[C@@H](O)CO[P@](=O)(O)CC[N+](C)(C)C 40916022 XZVWVQIWDKJIQE-FGZHOGPDSA-O 466.620 4.602 5 1 JJBF O=C(NCc1ccccc1C(F)(F)F)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1 82134307 XSIZEGRYWDDKJX-UHFFFAOYSA-N 471.439 4.823 5 1 JJBF CC[C@]1([N+]23CCC(CC2)[C@@H](OC(=O)C2(O)c4ccccc4-c4ccccc42)C3)c2ccsc21 113051966 ZPQPPRUNTBNTLT-IGYWSMDOSA-N 458.603 4.784 5 1 JJBF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586939547 WBTXXPKTGPSLDQ-JOCHJYFZSA-N 465.966 4.988 5 1 JJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 587610267 BJJWADSTONYBBG-NFBKMPQASA-N 473.466 4.945 5 1 JJBF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 114099315 OVDFJNPAECGHPG-HSZRJFAPSA-N 481.593 4.653 5 1 JJBF O=C(Nc1nc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cs1)c1cccc(O)c1 587019942 TYEAESQQQUYEST-UHFFFAOYSA-N 452.499 4.665 5 1 JJBF O=c1cc(Cn2cc(COc3ccc(Br)cc3)nn2)c2ccc3ccccc3c2o1 653778072 NIIUWMQYLZOGFO-UHFFFAOYSA-N 462.303 4.928 5 1 JJBF CCN(CC)CCCN=c1c2ccccc2n(C)c2c1oc1ccc(OCC[N+](C)(C)C)cc12 1772576961 DTFPKXQJTKQDOD-UHFFFAOYSA-N 463.646 4.795 5 1 JJBF CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)C[C@@H]1c1ccccc1 101146335 WWMIANBTGGZJEJ-JOCHJYFZSA-N 487.556 4.998 5 1 JJBF CC(C)CN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 105175303 IXGDHUOPUGZMBO-VZVVXEKASA-N 465.598 4.945 5 1 JJBF CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2cc(O)c([N+](=O)[O-])c(F)c2)CC1 118199312 QDOHXPNPQLVMTN-ZDUSSCGKSA-N 484.450 4.510 5 1 JJBF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586935382 IIJXERLJEANQIM-CQSZACIVSA-N 468.988 4.514 5 1 JJBF O=C(NCCc1ccccc1)c1cc2c([N+](=O)[O-])cccc2n(Cc2ccc(Cl)cc2)c1=O 1772636192 YQJSZAXQQCDLFI-UHFFFAOYSA-N 461.905 4.584 5 1 JJBF Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4cc5ccccc5nc34)cc2)no1 5729297 KKVKRNDSGZWACU-UHFFFAOYSA-N 458.499 4.738 5 1 JJBF COc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)c(OC)c1 45245322 CVFXBGIOWQDKLH-WUXMJOGZSA-N 460.446 4.518 5 1 JJBF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)N2 587030592 GCRYTZYXEGOXQH-WFNNLQEBSA-N 460.497 4.506 5 1 JJBF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc([N+](=O)[O-])c21 587573383 BKYSQVAUNPEWGB-KCWPFWIISA-N 465.417 4.750 5 1 JJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Cn1nc(C)c([N+](=O)[O-])c1C 587859353 FAMSLCURETXKRY-LLVKDONJSA-N 466.325 4.954 5 1 JJBF COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988079 XVIPKENKDRYPFG-PDGQHHTCSA-N 452.422 4.774 5 1 JJBF CN(CCCNC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 2483348 SFCZXINKSWWKLX-UHFFFAOYSA-N 480.521 4.532 5 1 JJBF COP(=O)(OC)[C@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 103219726 LPUVCOWJGBCTCU-KRWDZBQOSA-N 463.301 4.720 5 1 JJBF O=C(Nc1nc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cs1)c1cccc(O)c1 587019058 FBWNNLAWYHBVIK-UHFFFAOYSA-N 452.499 4.665 5 1 JJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 587576198 NFZIBUHRPAUXNK-UFHPHHKVSA-N 494.459 4.704 5 1 JJBF COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587748418 URDMXFOHURNSLX-LAJNKCICSA-N 460.303 4.919 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12 587750325 HQXXXWUZFSLTML-SFDCACGMSA-N 467.294 4.867 5 1 JJBF O=C(O)c1cc(Oc2cccc(Br)c2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1857765485 DSHVBBHFCWFPNO-UHFFFAOYSA-N 493.291 4.649 5 1 JJBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCOc1ccccc1 4215368 GOZIJJMBCNVOFW-LOSJGSFVSA-N 499.564 4.821 5 1 JJBF COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)O2 26833980 OASYWNFOHKQIGI-SXOMAYOGSA-N 489.524 4.560 5 1 JJBF biogenic CCOC(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345572 ZZSUHRCELXCGCV-ZCYQVOJMSA-N 465.433 4.647 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CCC(F)(F)F)c2c1 587619507 IABQVHMZSZZQPA-UHFFFAOYSA-N 457.430 4.689 5 1 JJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CN(C(=O)c2ccccc2)CCN1C3 72105462 JJZRYOCBLUEVDI-HXUWFJFHSA-N 482.580 4.902 5 1 JJBF Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(-c4ccc([N+](=O)[O-])cc4)nc(O)n3)cc2)cc1 299871005 XMNLGRPAQXNQJC-UHFFFAOYSA-N 462.487 4.534 5 1 JJBF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)O2 587372935 BSJFSUAMLLFGSP-QHCPKHFHSA-N 452.850 4.746 5 1 JJBF COc1cc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC 587748322 UMNVRUVBACTMER-BIBXISHDSA-N 453.308 4.506 5 1 JJBF O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1-n1nc2cc1Oc1ccc(F)cc1-2 587877026 ZDZVGFSZIOKLJM-UHFFFAOYSA-N 452.423 4.493 5 1 JJBF O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4053831 KQPVVTIAKVTCCK-FYYLOGMGSA-N 467.884 4.838 5 1 JJBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCCCc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 169723574 NUVCGNYKSUFXRR-ISKFKSNPSA-N 464.518 4.782 5 1 JJBF COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988078 XVIPKENKDRYPFG-LDADJPATSA-N 452.422 4.774 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CC3)c(-c3ccccn3)c2c1 587621068 OGHBLYBYCCAARH-UHFFFAOYSA-N 464.503 4.825 5 1 JJBF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OCCN(C)Cc2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] 169715054 DIMFFZPUYRZBBB-PNNQIPOWSA-N 479.533 4.518 5 1 JJBF COC(=O)c1cc(Br)c2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc2c1 587269889 IKHSDKQZPYKWPI-UHFFFAOYSA-N 453.252 4.749 5 1 JJBF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])CC2=O 587458677 AJAUKXYOKDEVII-QGZVFWFLSA-N 455.385 4.909 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N)c([N+](=O)[O-])c2)N1 587747885 QTJQHNJLGXIPGF-DMZKTXOQSA-N 456.315 4.905 5 1 JJBF CCc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 84687692 GMITTXRKDVNPGH-WNSKOXEYSA-N 491.635 4.725 5 1 JJBF O=S(=O)(N[C@H](c1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(F)cc1 587169618 FCDQPDVUTHVCJU-RUZDIDTESA-N 483.528 4.866 5 1 JJBF O=S(=O)(N[C@H](c1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(F)cc1 587170786 JWQSRCDFISLEQL-OAQYLSRUSA-N 483.528 4.866 5 1 JJBF CCN(CC)CCn1[nH]c2c3cc(OC(=O)C(C)(C)C)ccc3nc3c([N+](=O)[O-])ccc1c32 27103082 XHFFFWNPSNKZAM-UHFFFAOYSA-N 451.527 4.872 5 1 JJBF CC(C)CN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1 82148005 WMMMPNNURSGVTL-UHFFFAOYSA-N 451.502 4.574 5 1 JJBF C[C@@H](C(=O)NN1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)c(F)c1 103200299 FEPGGAGLTYILJF-MYYSRTQBSA-N 465.506 4.810 5 1 JJBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2)cc1 587272473 UHOZGANWVSOEEY-UHFFFAOYSA-N 454.446 4.990 5 1 JJBF CCCCNC[C@@H](O)COc1cc(OCc2cccc(OC)c2)c2c(=O)c3ccccc3oc2c1 1772574602 AXWDFRDWXCOARE-HXUWFJFHSA-N 477.557 4.663 5 1 JJBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCN(CC)CC 4213579 QLHOLLZHKCTCGF-LEWJYISDSA-N 452.983 4.720 5 1 JJBF Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2)c(C)c1C 586950626 HUYRUZXTJZFDAS-UHFFFAOYSA-N 465.535 4.876 5 1 JJBF O=[N+]([O-])c1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1[N+](=O)[O-] 587165656 IGGXJGJOUZEEQB-UHFFFAOYSA-N 473.424 4.856 5 1 JJBF CCN1CC[C@@]2(CCCN(C3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)C2)C1=O 73140757 OCMDYJWGAQELTA-SSEXGKCCSA-N 469.629 4.932 5 1 JJBF Cc1c(F)ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccn3)CC2)c1Cl 1772646577 UIGUIQVPCKAJLZ-UHFFFAOYSA-N 469.904 4.670 5 1 JJBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Cl 586957831 FIPYTAKKIXDZDK-VIZZQPHQSA-N 460.943 4.819 5 1 JJBF CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587222121 YEVPWORIWNUCMX-QGZVFWFLSA-N 454.483 4.561 5 1 JJBF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cc(F)ccc4[N+](=O)[O-])c1)[C@@H](C2)C3=O 587426310 BYVRUDNYCVBJMZ-AVRWGWEMSA-N 465.433 4.819 5 1 JJBF O=C(O)Cn1c(Cc2ccc(Cl)cc2)nc2c(-c3ccccc3)nc3ccccc3c2c1=O 1857759196 YUKBYTSZEOGSDL-UHFFFAOYSA-N 455.901 4.941 5 1 JJBF COc1ccccc1-c1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 84758565 AZQUXXBPIZVHEQ-UHFFFAOYSA-N 451.910 4.886 5 1 JJBF Cc1cc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccc1[N+](=O)[O-] 587656257 IDZYAUBIBKSEQC-AWEZNQCLSA-N 465.412 4.666 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 587753882 WUXNTFJYWPCIMN-BGJPBQGDSA-N 483.293 4.573 5 1 JJBF C[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963172844 DOVQDRHXFXTFPS-MJGOQNOKSA-N 453.804 4.611 5 1 JJBF O=[N+]([O-])c1ccc2c(c1)c(NC1CCN(Cc3ccc4c(c3)OCO4)CC1)nn2Cc1ccccc1 28529515 QUYAYKFWXNRNJW-UHFFFAOYSA-N 485.544 4.798 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2nccn2C)N1 587691781 IFCWHPXCIUUXJZ-BIBXISHDSA-N 479.737 4.709 5 1 JJBF O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4051739 WUAKCAUCGTXYJW-FYYLOGMGSA-N 465.893 4.535 5 1 JJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587055851 QQTDHICBPVCDAY-SNVBAGLBSA-N 477.230 4.665 5 1 JJBF CCOC(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341638 ZFXORGQMGUSRTR-NOZRDPDXSA-N 465.433 4.647 5 1 JJBF O=C1c2ccc(O)cc2O[C@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)[C@H]1c1ccc(F)cc1 587343491 UBANKLZCEORGMW-UKILVPOCSA-N 459.433 4.591 5 1 JJBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC(F)F 587556313 OABQPNQSYRFGTB-GHTZIAJQSA-N 459.357 4.613 5 1 JJBF COc1ccc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1COc1ccc(C)cc1[N+](=O)[O-] 963031893 RSJMAENBXIFODV-CLYVBNDRSA-N 473.529 4.634 5 1 JJBF O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@](O)(CSc1ccccc1)C(F)(F)F 28022633 YPKTXZIHCJRSNJ-HNNXBMFYSA-N 454.348 4.638 5 1 JJBF CCOC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H]1c1ccccc1 103277065 VGTPYWFPZMWGMC-HXUWFJFHSA-N 473.938 4.702 5 1 JJBF CS(=O)(=O)c1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc([N+](=O)[O-])c1Cl 586927680 VKZJIDQTVCUZDQ-UHFFFAOYSA-N 457.895 4.774 5 1 JJBF COc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261226 ZLGRBPUSINLXLR-UHFFFAOYSA-N 457.078 4.680 5 1 JJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc([N+](=O)[O-])cc1F 587865185 RWLIBLBAMGWQFU-UHFFFAOYSA-N 453.348 4.734 5 1 JJBF COc1ccc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1COc1ccc([N+](=O)[O-])cc1Cl 963036084 WXSATVVNJNYOFT-QMTYFTJSSA-N 493.947 4.979 5 1 JJBF COc1cc2[nH]c3cc(Oc4ccc(CN5CCOCC5)cc4)ccc3c(=O)c2cc1Cl 1911584611 BJRLIRQFTLZXOI-UHFFFAOYSA-N 450.922 4.968 5 1 JJBF C[C@](O)(COc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 6733290 JLXWDSZBWVTJAX-INIZCTEOSA-N 453.200 4.689 5 1 JJBF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 586999515 DZFSPTCRMPWCBF-UHFFFAOYSA-N 459.259 4.901 5 1 JJBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 774008 YMJKNAJOROJKFF-HKUYNNGSSA-N 471.897 4.612 5 1 JJBF O=C(NCc1ccccc1Cl)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82149921 KWRFZNGPXBYNBN-UHFFFAOYSA-N 451.914 4.626 5 1 JJBF CCN(C)C(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1ccc([N+](=O)[O-])cc1 82150223 UYECGNSJSYRCCY-UHFFFAOYSA-N 459.428 4.775 5 1 JJBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1)[C@@H](C2)C3=O 587421545 LTBUKRGQAHMTAR-HTAPYJJXSA-N 462.424 4.871 5 1 JJBF O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)C(O)(c1cccs1)c1cccs1 113052845 WYUKPSKQONSETN-PSWPWZSKSA-N 474.693 4.892 5 1 JJBF Cc1nc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2cc1Br 587118126 KFZJOGVZANFXOB-UHFFFAOYSA-N 481.232 4.868 5 1 JJBF COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587747998 RHPAEFKNWDENOY-IZAMGOIISA-N 463.303 4.502 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587754429 YPGNLOZRMNTVHP-XUSGNXJCSA-N 475.318 4.661 5 1 JJBF CCOc1cc([C@@H]2c3cc(OC)ccc3CCN2C(C)C)ccc1Oc1nn(C)cc1[N+](=O)[O-] 962089433 JAIBYMXGCQNBOL-XMMPIXPASA-N 466.538 4.884 5 1 JJBF O=C(CC1CCCCC1)N1CCN(C(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 1857573333 YYAYTIPXQPUUHC-HSZRJFAPSA-N 450.539 4.983 5 1 JJBF O=C(NCc1ccccc1F)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 773744 ABDUUUWWIRTYPF-UHFFFAOYSA-N 479.395 4.854 5 1 JJBF C[C@@](C(=O)O[C@H]1C[N+]2(CCOc3ccc(F)cc3)CCC1CC2)(c1ccccc1)N1CCCCC1 73164228 NOIIZVLZESZXLC-BNAAVTMESA-N 481.632 4.758 5 1 JJBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 587268880 CHOLKZOXENSOHT-UHFFFAOYSA-N 469.370 4.540 5 1 JJBF CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21 587691808 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C[C@@]1(c2cccc(Br)c2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539367 IDJSJMAVLAYAFT-UTKZUKDTSA-N 456.248 4.940 5 1 JJBF O=c1scc(O)n1[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 169728524 CBFBXOSIDWPJDX-NRFANRHFSA-N 463.515 4.839 5 1 JJBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)F 587553600 FVVKQNWDHPZCBQ-NZQKXSOJSA-N 473.384 4.656 5 1 JJBF CC1=C[C@H](CN2CCC(CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2356873997 SKJXKWRUAOOKHW-ZDXQCDESSA-N 468.598 4.746 5 1 JJBF O=C1N[C@@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc([N+](=O)[O-])cc1 82158304 CEFDICGJZNUGAH-JIPXPUAJSA-N 480.480 4.705 5 1 JJBF COc1cc(Br)cc(C=O)c1OCc1nc2cc3nc4ccccc4nc3cc2[nH]1 586980624 YXVBCCJSDRJONK-UHFFFAOYSA-N 463.291 4.822 5 1 JJBF CCCCOc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1Br 587092510 QIXYRUIRYGBAHQ-UHFFFAOYSA-N 462.226 4.838 5 1 JJBF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCC(C(=O)OCC)CC3)c([N+](=O)[O-])c1)CC2=O 587472732 LWQCWNSEUBOATG-DEOSSOPVSA-N 482.533 4.739 5 1 JJBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCOc1ccccc1 4215362 GOZIJJMBCNVOFW-JWQCQUIFSA-N 499.564 4.821 5 1 JJBF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82148188 TXRSSNXUAJSUMG-HDICACEKSA-N 451.571 4.844 5 1 JJBF O=C1CSC(N2N=C(c3ccc([N+](=O)[O-])cc3)C[C@@H]2c2cc3cc(F)ccc3nc2Cl)=N1 95575585 CSQHLFAISFAFAQ-GOSISDBHSA-N 469.885 4.716 5 1 JJBF COc1ccc(-c2cn3nc(-c4ccc(NC[C@H]5CCCO5)c([N+](=O)[O-])c4)sc3n2)cc1 103230621 DLEVYDTXSLCUHV-QGZVFWFLSA-N 451.508 4.633 5 1 JJBF Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc([N+](=O)[O-])c(F)cc5[nH]4)c3n2)cnn1C 587128929 FXNFDDLEQFFXNR-UHFFFAOYSA-N 496.453 4.927 5 1 JJBF Cn1nc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(I)c1C(=O)O 587180207 FAXPMLCSGYOGJT-UHFFFAOYSA-N 468.254 4.573 5 1 JJBF CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1NC(=O)OC(C)(C)C 587621100 OFZJGTFJMDUIID-UHFFFAOYSA-N 490.538 4.795 5 1 JJBF Cc1ccc(OC(C)(C)[C@@H]2OC[C@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 27747959 VGBBXLWOWUXXFE-DBIZQGMDSA-N 470.522 4.997 5 1 JJBF C[N+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 34802185 QTWQZQOULZVQSB-UOQVMRJOSA-O 462.564 4.695 5 1 JJBF Cn1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575696 KIROIVHDOQQWQN-ATIYNZHBSA-N 470.437 4.573 5 1 JJBF CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(Cl)cc3)[nH]c3cccc([N+](=O)[O-])c23)n1 587645121 WMXURVOIAFWYAQ-UHFFFAOYSA-N 482.880 4.936 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N)c([N+](=O)[O-])c2)N1 587747894 QTJQHNJLGXIPGF-XMHCIUCPSA-N 456.315 4.905 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3nn(C)cc3[N+](=O)[O-])c2)N1 587750800 JNUAVJGKDLUCRC-WYRIXSBYSA-N 461.291 4.646 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 587753883 WUXNTFJYWPCIMN-BSNNYGBQSA-N 483.293 4.573 5 1 JJBF CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)N[C@H](CO)Cc1ccccc1 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COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)c1 82163731 PSVJWFZQPMDMNZ-UHFFFAOYSA-N 475.505 4.995 5 1 JJBF FC(F)(F)c1nn(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Br 587119071 VHPRQLSHCDTJRE-UHFFFAOYSA-N 461.245 4.880 5 1 JJBF O=c1ccn(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c2ccn(Cc3ccc(Cl)cc3)c(=O)c12 653889541 MIKSTHQRUKIZJC-UHFFFAOYSA-N 475.810 4.781 5 1 JJBF CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccccc1N 771934 HYHPUNHGLGOFPY-UPVQGACJSA-N 494.935 4.637 5 1 JJBF COCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)ccc21 28524806 YSOJOINIAQPRFU-UHFFFAOYSA-N 487.582 4.812 5 1 JJBF C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@@H]1c1cccc([N+](=O)[O-])c1 103189579 SCQLIQIBCHUZKS-NIVTXAMTSA-N 490.752 4.628 5 1 JJBF COC(=O)c1cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1Cl 103284039 DYGPXODNNBSMMJ-UHFFFAOYSA-N 455.132 4.754 5 1 JJBF O=C(O)c1ccc(CSc2nc3n(n2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(O)CCCC2=N3)cc1 104060393 YMPJEAJGSJGPRG-HXUWFJFHSA-N 477.502 4.848 5 1 JJBF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cc(C)ccc4[N+](=O)[O-])c1)[C@@H](C2)C3=O 587431779 GMGGIXAUEUPWKR-AFMDSPMNSA-N 461.470 4.988 5 1 JJBF COc1c([N+](=O)[O-])ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F 587720762 UQFBGXUAWWBGJI-AYVTZFPOSA-N 461.234 4.730 5 1 JJBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC 4050805 ZFNRRFDEXZQKCG-JQRIVJTKSA-N 493.491 4.720 5 1 JJBF C[N@@+]1(CCCOc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 261116521 IWVCFEIBBOTGAN-XYFQYJLHSA-O 456.610 4.643 5 1 JJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 586949451 WRRLQZUOCHKOBI-UHFFFAOYSA-N 465.535 4.940 5 1 JJBF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 587043393 QFKDDMZQPZBVDV-INIZCTEOSA-N 477.340 4.520 5 1 JJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(I)cnc(Cl)c2[nH]1 587109458 KIGRDCFDVAJACL-UHFFFAOYSA-N 482.587 4.734 5 1 JJBF CCCC[C@H](Nc1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1)C(=O)NCCOc1ccccc1 82195649 FMTZGWXSSNWMSD-IBGZPJMESA-N 484.578 4.893 5 1 JJBF O=[N+]([O-])c1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 95539715 PYENYCNAXULFMV-RBBKRZOGSA-N 459.955 4.982 5 1 JJBF C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCCCCCCCC(=O)O1 103218226 SCZWTBHMXIPYJL-RBUKOAKNSA-N 454.589 4.868 5 1 JJBF CCOC(=O)C[C@]1(Cc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332250 FRHOKIKZVXTJTD-RSXGOPAZSA-N 479.460 4.733 5 1 JJBF Cc1[nH]c2c(C(=O)O)cccc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587639013 YIEACHXMDVDSLA-VXKWHMMOSA-N 470.437 4.633 5 1 JJBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2cccc([N+](=O)[O-])c2)o1 587872408 XHTQKNYSCMWDTR-UHFFFAOYSA-N 451.410 4.857 5 1 JJBF O=[N+]([O-])c1ccc([C@H](c2nnnn2C2CCCCC2)N2CCc3c([nH]c4ccccc34)C2)cc1 1857654183 IORXZXGEDNVQBZ-XMMPIXPASA-N 457.538 4.716 5 1 JJBF COc1cc(O)c2c(=O)oc3c(O[C@]4(C)Oc5cccc(C)c5C4=O)c(OC)cc(C)c3c2c1 2356849444 PWNYACBJAUETEX-SANMLTNESA-N 462.454 4.656 5 1 JJBF O=C1NCc2c1c1c3cc(Br)ccc3n3c1c1c2c2ccccc2n1C[C@H](CO)C3 28819528 YBEODDCUCSWRHI-LBPRGKRZSA-N 460.331 4.530 5 1 JJBF Cc1ccc(OCC[N+]23CCC(CC2)[C@@H](OC(=O)[C@](C)(c2ccccc2)N2CCCCC2)C3)cc1 73164235 KTGKJEWKNRXADV-SHZVQYQYSA-N 477.669 4.927 5 1 JJBF CN(C)CCN1CCN(c2c3cc(-c4ccncc4)ccc3nc3c2[nH]c2ccccc23)CC1 95573286 CBPWUXOIHWHIGX-UHFFFAOYSA-N 450.590 4.615 5 1 JJBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCCc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 49784127 NGROOZMESKWZQC-DEOSSOPVSA-N 464.518 4.569 5 1 JJBF C[C@]1(c2ccc(Br)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541097 SSHKCADQYJLCRQ-GHTZIAJQSA-N 456.248 4.940 5 1 JJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Cn1nc([N+](=O)[O-])cc1C 587860001 KXHSSASHGCTUGW-NSHDSACASA-N 452.298 4.645 5 1 JJBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21 587470553 LASQNWJWBNIWBO-AREMUKBSSA-N 458.470 4.660 5 1 JJBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)(F)F 587551000 XBJOTKOSPGEUPO-DENIHFKCSA-N 491.374 4.953 5 1 JJBF COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NC2CCCC2)cc1 773934 JMTFTUWSZNHZOF-UHFFFAOYSA-N 467.478 4.615 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(C)cn3)c2c1 587620959 KVJYLSZXRBIPKJ-UHFFFAOYSA-N 452.492 4.564 5 1 JJBF COC(O)=C1C(C)=NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 2356834952 VYHIJYQMAJYKEO-XMMPIXPASA-N 479.533 4.518 5 1 JJBF Cn1cncc1CN1CC[C@@H](c2ccccc2Br)[C@H]([N+](=O)[O-])[C@H]1c1ccccc1 28713120 KIDWWVDWSSWKTP-NNWRFLSQSA-N 455.356 4.559 5 1 JJBF CC(=O)c1ccc2c(c1)[C@H](c1c(C)[nH]c3ccc([N+](=O)[O-])cc13)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962626283 JCFROGLRRUXCAJ-JTHBVZDNSA-N 493.516 4.923 5 1 JJBF Cc1c([N+](=O)[O-])cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1[N+](=O)[O-] 587574949 HHEHXRZPYSUSSG-AUSIDOKSSA-N 450.403 4.702 5 1 JJBF Clc1ccccc1-n1cc(CN2CCN(c3nc4ccccc4c4ccccc34)CC2)nn1 103247828 QNOPKRKZIBHRPF-UHFFFAOYSA-N 454.965 4.944 5 1 JJBF O=[N+]([O-])c1ccc(-c2cn([C@@H](CN3CCNCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 653894817 PUDVQKKSAONRPO-DEOSSOPVSA-N 484.585 4.716 5 1 JJBF C[C@]1(c2cc(F)c([N+](=O)[O-])cc2Br)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962707891 YUXIJXXJBQMVIQ-YOEHRIQHSA-N 495.198 4.517 5 1 JJBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 601265 VYHIJYQMAJYKEO-UVDRRRQGSA-N 479.533 4.518 5 3 JJBF in-vitro CC1(C)C=Cc2cc(CN(c3ccccc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ncc2O1 73219622 YWRKQJJDIHNZSG-UHFFFAOYSA-N 451.504 4.570 5 1 JJBF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 103219731 BUMBBJWJVGHDOB-QGZVFWFLSA-N 463.301 4.720 5 1 JJBF CN(C)C(=O)c1ccc2c(c1)[C@](c1ccc([N+](=O)[O-])cc1)(c1cccc3ccccc13)NCC2 962931619 OOPKDGFLCRZLEL-NDEPHWFRSA-N 451.526 4.887 5 1 JJBF Cc1ccc(CNC(=O)c2cc(-c3ccccc3)nn2C[C@@H]2CC(c3cccc([N+](=O)[O-])c3)=NO2)cc1 12477149 QSUJIBIJWFKIBQ-DEOSSOPVSA-N 495.539 4.890 5 3 JJBF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 773626 WYKKQFIOLZUIIN-SJCJKPOMSA-N 461.877 4.846 5 1 JJBF CCOCCN(CCOCC)C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82148652 ZVSBHDQDTPSCKA-UHFFFAOYSA-N 499.612 4.559 5 1 JJBF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1 587140254 VUFIVOMGHYUVEO-UHFFFAOYSA-N 476.873 4.740 5 1 JJBF COc1c(OC(F)F)ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] 587717681 MAXMKOOWRJJAMI-GLEZIHRCSA-N 461.234 4.730 5 1 JJBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587158725 GJWBURQXWKWDDV-UHFFFAOYSA-N 476.873 4.643 5 1 JJBF O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c([N+](=O)[O-])ccc(O)c21 587341931 KUBKYYPFGLUMCT-CUBQBAPOSA-N 497.434 4.992 5 1 JJBF COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCCC(C)C)c([N+](=O)[O-])cc1OC 775424 QFWGJBYWKSDZIP-UHFFFAOYSA-N 457.458 4.849 5 1 JJBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587265054 RRMZMYPQPDENRX-WJWGPLDTSA-N 459.768 4.586 5 1 JJBF CCCc1nc2c(C)ccnc2n1Cc1ccc(O[C@H](C(=O)O)c2ccccc2[N+](=O)[O-])cc1 29335393 NYULTYGJSFMOPN-QHCPKHFHSA-N 460.490 4.853 5 1 JJBF CCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1)C(=O)c1cccc([N+](=O)[O-])c1 35143073 AENOUHZYGMXKPR-UHFFFAOYSA-N 477.565 4.877 5 1 JJBF COc1ccc2cc3[n+](cc2c1NCCc1ccc([N+](=O)[O-])cc1)CCc1cc2c(cc1-3)OCO2 73167426 RNYPFNPXZQOOJY-UHFFFAOYSA-O 470.505 4.651 5 1 JJBF Cc1ccc(N2Oc3c(c(O)n(-c4ccc(C(=O)O)cc4)c3O)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 169728032 RPEXESYXYVJMLJ-NRFANRHFSA-N 473.441 4.707 5 1 JJBF O=C(Nc1cccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)c1)c1ccc(F)cc1 653866616 LWHMBOHGIYMEBE-UHFFFAOYSA-N 452.423 4.955 5 1 JJBF C[C@](O)(CSc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857617878 HOJGRSXMBUPECB-HNNXBMFYSA-N 469.363 4.509 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C/c1ccccc1[N+](=O)[O-])N1CCC2CC1 587748257 SYGYFVGYWLPJLZ-MQMSSNNZSA-N 472.358 4.993 5 1 JJBF O=C(O[C@@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857550291 SXLRCJRTHFTCEE-DPPLCSQNSA-N 456.606 4.708 5 1 JJBF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587200780 OHIQAFSJQKSHGN-UHFFFAOYSA-N 460.288 4.751 5 1 JJBF CCCc1c(-c2cccnc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587620772 GVTSBPPMRMNRQO-UHFFFAOYSA-N 466.519 4.900 5 1 JJBF O=c1c(-c2ccccc2[N+](=O)[O-])coc2cc3occ(-c4ccccc4[N+](=O)[O-])c(=O)c3c(O)c12 653882302 JEJJTKYZWJVMHL-UHFFFAOYSA-N 472.365 4.755 5 1 JJBF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)NCC2 962927963 GCKUGBUOEUGNGU-HSZRJFAPSA-N 451.910 4.977 5 1 JJBF Cc1ccc([C@@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])CC(=O)c3cc(C)cc(N)c3O2)cc1 587388932 HVSDFRWPFKOIAF-HHHXNRCGSA-N 468.513 4.948 5 1 JJBF Cc1cccc(C)c1C(=O)[C@H]1CCCc2sc(NC(=O)c3ccccc3[N+](=O)[O-])c(C(N)=O)c21 62241670 UVBIDCXWPPYKMW-INIZCTEOSA-N 477.542 4.927 5 1 JJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586948461 IPNVFZXDZAHWKP-UHFFFAOYSA-N 492.492 4.572 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2nccn2C)N1 587698043 YBHCGDPYGYYEQU-YBTHPKLGSA-N 479.737 4.709 5 1 JJBF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c12 587268731 KLADKQGCWQOBRM-UHFFFAOYSA-N 474.374 4.888 5 1 JJBF COc1cc2c(cc1OC)[C@](C[C@@H]1CCC[C@H]1C(=O)O)(c1cccc([N+](=O)[O-])c1)N(C)[C@H](C)C2 962576461 UJSNRDBCRCZBGH-IKLMUHQQSA-N 468.550 4.623 5 1 JJBF O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C(c2cccc(Cl)c2)=NN1c1ccccc1 8801908 YLELNCIKEMWFDR-FYYLOGMGSA-N 490.903 4.604 5 3 JJBF aggregator CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215928 LURFVRBJUISGIF-IEXUWNMDSA-N 487.984 4.982 5 1 JJBF CC(=O)c1ccc(NCC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 653726376 IDXCLYNESCMNJS-DEOSSOPVSA-N 460.465 4.726 5 1 JJBF O=[N+]([O-])c1ccc(N2CCC(NCC[C@H](O)c3ccc(F)c(F)c3)CC2)c(C(F)(F)F)c1 1857750936 ZVTYAGIJVHEBBK-FQEVSTJZSA-N 459.415 4.574 5 1 JJBF CCN(CC)c1ccc2c(-c3ccc4c(nnn4C)c3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1 38852639 AAMLXWSFNKOTDW-UHFFFAOYSA-O 498.607 4.843 5 1 JJBF Cc1cc2[nH]c(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)nc2cc1[N+](=O)[O-] 586963940 RRDUWDGSLDYYNM-UHFFFAOYSA-N 456.915 4.564 5 1 JJBF O=C1Nc2ccccc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@@H]([N+](=O)[O-])[C@@H]2c1ccc(Cl)cc1 1857600753 RAYYZCUOWMRRFF-TWZJLLKVSA-N 472.932 4.612 5 1 JJBF O=C(O[C@@H]1C[N+]2(CCCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857612918 MASSECXUPYPQEW-KJUSFPLJSA-N 486.632 4.934 5 1 JJBF O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2c(c(-c3ccccc3)nn2C(=O)c2ccccc2)C1 96285322 AYRMACPJAXIUJQ-UHFFFAOYSA-N 467.485 4.737 5 1 JJBF O=[N+]([O-])c1cc(Br)cc2c1OCC[C@@]21c2cccc(F)c2CCN1[C@@H]1CCSC1 962700666 KAIXNFPURRTOEY-SPLOXXLWSA-N 479.371 4.886 5 1 JJBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148909 SULVGCWVDXVYNG-MOPGFXCFSA-N 451.571 4.939 5 1 JJBF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82214778 XCSYBFHQBRRBFB-RQXXJAGISA-N 451.571 4.843 5 1 JJBF COc1ccc2c(C)c(CCc3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c(=O)oc2c1C 586919044 XOTZQVRGMUHVBM-UHFFFAOYSA-N 472.295 4.751 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)(C)C)c(C(=O)C(F)(F)F)c2c1 587617839 KMNCBNOBIOEKKT-UHFFFAOYSA-N 499.467 4.928 5 1 JJBF COc1ccc(N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]c2=Nc2ccc(OC(F)(F)F)cc2)cc1 1857620153 XQJQWHVHEVTGGP-UHFFFAOYSA-N 471.395 4.776 5 1 JJBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1ccccc1F 4274986 NGQKWGADKSBWRE-ZEQRLZLVSA-N 485.512 4.835 5 1 JJBF CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 82195857 CSSRTJGPEXKCSW-IIMJZQEZSA-N 481.018 4.644 5 1 JJBF CCOc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC 587670460 YZDRRXYAGOGFFZ-UHFFFAOYSA-N 476.445 4.667 5 1 JJBF COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587747076 LRXCKEHQZGBZHJ-QKVFXAPYSA-N 460.303 4.919 5 1 JJBF O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21 43121607 ZMGKLIJUSAOHFP-JHHOKDCISA-N 470.589 4.524 5 1 JJBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCC[C@H](C)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 49088498 HAAYACSSCTVICJ-UPCLLVRISA-N 464.518 4.740 5 1 JJBF C[C@@]1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342352 NEBVXUKOFQXTLN-VWNXMTODSA-N 450.422 4.586 5 1 JJBF COc1cc(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)ccc1[N+](=O)[O-] 587748121 SLXMLEHPWCLDMF-ZDUSSCGKSA-N 464.335 4.535 5 1 JJBF CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1cccc(OC)c1[N+](=O)[O-] 13831899 QBNTVYNOISITTQ-SFQUDFHCSA-N 455.536 4.963 5 1 JJBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149501 FZXXRTSAWICWQT-CALCHBBNSA-N 489.532 4.511 5 1 JJBF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)c1 587231630 CTZHHXRPDCODPI-UHFFFAOYSA-N 465.307 4.851 5 1 JJBF CN(C)CCCN=c1c2ccccc2n(C)c2c1oc1ccc(OCC3CC[N+](C)(C)CC3)cc12 1772570379 FXYKXTOSLBXKAE-UHFFFAOYSA-N 475.657 4.795 5 1 JJBF CS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586926876 QCENNHNFRCDFCC-UHFFFAOYSA-N 498.664 4.976 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(O)c([N+](=O)[O-])c2)N1 587676073 FCKUCAPIXIFFCE-KWKYVRJSSA-N 460.097 4.588 5 1 JJBF CC(C)(Oc1ccccc1[N+](=O)[O-])[C@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 13740475 BEIYGOMTQGIYEM-WBWTVWGBSA-N 456.495 4.689 5 1 JJBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587270028 HUKBGEACAFGTHC-SFHVURJKSA-N 469.423 4.985 5 1 JJBF COc1cc2c(=Nc3ccc(Cl)cc3)c([N+](=O)[O-])c[nH]c2cc1OCCC[n+]1ccccc1 1857563621 JXXGLJRVXCMMSG-UHFFFAOYSA-N 465.917 4.727 5 1 JJBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135330 KQAKGEYOMBEYLW-OALUTQOASA-N 451.571 4.939 5 1 JJBF COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(C)c([N+](=O)[O-])cc5[nH]4)[nH]c23)cc1 586954044 ZCNYIKAZHUQGTO-UHFFFAOYSA-N 477.502 4.737 5 1 JJBF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C[C@H](C)O1 586967976 IAQWOIRUJHOQDH-STQMWFEESA-N 484.969 4.974 5 1 JJBF COc1cc2c(c3nc4ccccc4nc13)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2 6003049 CADONKLZQMNOGF-SFHVURJKSA-N 457.555 4.664 5 1 JJBF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 103205053 IMWHYOYRCYCEBH-QGZVFWFLSA-N 463.301 4.720 5 1 JJBF COc1c(OCC(=O)O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C 148380705 BFAOLNPGSUJLCY-UHFFFAOYSA-N 468.502 4.847 5 1 JJBF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586936740 KAMWJUXEMOCZOO-AWEZNQCLSA-N 487.763 4.563 5 1 JJBF Cc1cc2[nH]c([C@@H](CC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc2cc1[N+](=O)[O-] 587204529 ZNNWGKYPSFORNF-JOCHJYFZSA-N 488.500 4.881 5 1 JJBF COc1cc(OCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1[N+](=O)[O-] 587263597 WDHJLNKECPCEMZ-UHFFFAOYSA-N 462.178 4.720 5 1 JJBF COc1cc(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)ccc1[N+](=O)[O-] 587748096 SHKWLFGWKSXSIM-CYBMUJFWSA-N 464.335 4.535 5 1 JJBF Cc1ccc(OC(C)(C)[C@@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 27747949 VGBBXLWOWUXXFE-NWCMJKHSSA-N 470.522 4.997 5 1 JJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])c(Br)cc1F 587559866 ZWKJFAWOPPLYNC-XLIONFOSSA-N 460.211 4.905 5 1 JJBF Cc1c([N+](=O)[O-])cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1[N+](=O)[O-] 587574952 HHEHXRZPYSUSSG-XXBNENTESA-N 450.403 4.702 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 587751986 PFHYCDLZEGLWAT-SPSFWMDKSA-N 467.294 4.867 5 1 JJBF Cc1c([N+](=O)[O-])cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1[N+](=O)[O-] 587748362 WMXPRPNXSAYIRT-AYLIAGHASA-N 452.280 4.819 5 1 JJBF O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1Cc1nnc(Nc2ccc([N+](=O)[O-])cc2)s1 1857581433 WIWJJBQZCRGOAL-UHFFFAOYSA-N 483.513 4.524 5 1 JJBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 21297271 XEMMMYRHLQVPBM-ZSMKPUFPSA-N 491.544 4.661 5 1 JJBF CC(C)(Oc1ccccc1[N+](=O)[O-])[C@@H]1OC[C@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 36242438 BEIYGOMTQGIYEM-QSUIMUHQSA-N 456.495 4.689 5 1 JJBF CN[C@@H](c1cccnc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587223681 PFNCWNVRHSHHFB-SANMLTNESA-N 492.491 4.549 5 1 JJBF COc1ccc(CCNc2ncc(C(=O)NCc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82135896 VBUVTSXZBRYDNR-UHFFFAOYSA-N 483.528 4.645 5 1 JJBF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1C 587166221 VNQRFACROYLMLP-UHFFFAOYSA-N 454.433 4.946 5 1 JJBF CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239666 MYPINEGZLRXFCU-LBBIBPJZSA-N 450.923 4.680 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccccc3C)c2c1 587620868 IAPNZOMRAZXGKQ-UHFFFAOYSA-N 494.529 4.755 5 1 JJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(F)cc1[N+](=O)[O-] 587864743 KGVWQYSHEGWKKW-UHFFFAOYSA-N 453.348 4.734 5 1 JJBF O=[N+]([O-])c1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1F 587178847 MUYLYGCYJANNEV-UHFFFAOYSA-N 451.117 4.901 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3cccc(F)c3)c2c1 587620439 BXKKYCWNKRXAJK-UHFFFAOYSA-N 498.492 4.585 5 1 JJBF CN(C)CCCCNc1nc2cc([N+](=O)[O-])ccc2nc1NCc1ccc(C(F)(F)F)cc1 1857558683 YMHQSSJFEVBTMF-UHFFFAOYSA-N 462.476 4.923 5 1 JJBF CC(C)CN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 82134695 JCPIVYZMLQCNLC-UHFFFAOYSA-N 451.502 4.574 5 1 JJBF C[N@+]1(CCCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 261116509 IWVCFEIBBOTGAN-DICHSLLOSA-O 456.610 4.643 5 1 JJBF O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 586951155 JFVOLSGDQZUGKY-UHFFFAOYSA-N 494.374 4.530 5 1 JJBF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 587511229 FJEHJQGYMTZXDU-MHZLTWQESA-N 454.482 4.881 5 1 JJBF COc1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587578728 XGJQEMKSIAKNGD-RCZVLFRGSA-N 458.426 4.803 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)C)c(C(=O)C(F)(F)F)c2c1 587617995 LBRWZLGNBWNXTG-UHFFFAOYSA-N 485.440 4.754 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587750929 KNIJUBYPPKVWHY-GTJPDFRWSA-N 475.318 4.661 5 1 JJBF Cn1cc([N+](=O)[O-])c(Oc2ccccc2[C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)n1 962955892 MZSBZUUJGDWHRI-OAQYLSRUSA-N 488.466 4.880 5 1 JJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587053430 FDJZDEVEDSCJSI-MRXNPFEDSA-N 452.801 4.573 5 1 JJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 587859284 DOIHUFSQWLRLSB-UHFFFAOYSA-N 491.331 4.689 5 1 JJBF O=[N+]([O-])c1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1[N+](=O)[O-] 587019934 SSYURISFCPJGDN-UHFFFAOYSA-N 466.298 4.918 5 1 JJBF O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccc([N+](=O)[O-])cc1 587211456 QMEPFXOWMUOZNU-NVQXNPDNSA-N 464.477 4.986 5 1 JJBF COCCNC(=O)c1cccc(NC(=O)CCc2nc3c4ccccc4c4ccccc4c3[nH]2)c1 587230210 GJHWXAMRDCZQNM-UHFFFAOYSA-N 466.541 4.817 5 1 JJBF COc1ccc2c(c1OC)[C@@H](c1ccc(-c3ccc(C(=O)O)cc3)cc1[N+](=O)[O-])N(C)[C@H](C)C2 962623858 LBGFIGYJFCNUEG-OYLFLEFRSA-N 462.502 4.943 5 1 JJBF CCOC(=O)C1=C[C@@H](C(C)(C)C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccc(Cl)c1 199360748 UNEVYLWYGIRYIC-SFTDATJTSA-N 492.981 4.898 5 3 JJBF COCCOC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986919 HOLZGBALVHWDRC-KGENOOAVSA-N 496.475 4.790 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)N1 587751479 MYACWHISUKAXJG-FATZIPQQSA-N 481.325 4.970 5 1 JJBF CCOC(=O)C1=C(N)Oc2ccc(Sc3nc4ccccc4[nH]3)cc2[C@@H]1c1ccc([N+](=O)[O-])cc1 64448477 NPFYJOMHPHMJLL-NRFANRHFSA-N 488.525 4.880 5 1 JJBF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1C=O 586968105 MXCSEUVTOWSPEJ-UHFFFAOYSA-N 459.890 4.922 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587748620 AOUPYUYEOJDGGI-GTJPDFRWSA-N 475.318 4.661 5 1 JJBF CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccc([N+](=O)[O-])cc1 114098017 WUQDAVSJXICDKW-GOSISDBHSA-N 490.000 4.820 5 1 JJBF C[C@@](O)(CSc1ccccc1OC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857602254 QYGXWJVCHFRKKM-MRXNPFEDSA-N 484.374 4.994 5 1 JJBF COc1cccc(CCNc2ncc(-c3ncc(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)c1OC 82163721 XUKMEGZXYWRQIM-UHFFFAOYSA-N 461.478 4.687 5 1 JJBF COC(=O)[C@H]1CCCCN1Cc1cc2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 103175454 BARCRTBJOAKKLX-OAQYLSRUSA-N 453.535 4.555 5 1 JJBF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(Cl)cc([N+](=O)[O-])c4F)[nH]c3c2)cc1 587139306 GXUXMWVMGBOQRZ-UHFFFAOYSA-N 476.873 4.740 5 1 JJBF COc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587745928 IMSIXOFLYOCGRE-GTJPDFRWSA-N 460.303 4.919 5 1 JJBF COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587747432 NTRMVRCCOLCNHC-GTJPDFRWSA-N 460.303 4.919 5 1 JJBF CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])c2ccsc2CCN1Cc1cccnc1 963000072 UKKNVBJSOIIGNP-DEOSSOPVSA-N 451.548 4.501 5 1 JJBF O=C(NCc1cccs1)c1cc(-c2ccccc2)nn1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 12477140 WVGSMUFQJJLEMW-HXUWFJFHSA-N 487.541 4.643 5 3 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587754311 XYWBHAYCWIOLJD-XUSGNXJCSA-N 475.318 4.661 5 1 JJBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1 587870730 HGSFUVMHBMXLPP-UHFFFAOYSA-N 485.859 4.571 5 1 JJBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(Cn2nc(C)c([N+](=O)[O-])c2C)c1 587872361 WHKYGTTVGMGLPD-UHFFFAOYSA-N 463.469 4.546 5 1 JJBF CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccccc1N 771936 HYHPUNHGLGOFPY-LADGPHEKSA-N 494.935 4.637 5 1 JJBF C[C@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 26163088 QHNMWCWNYWVMDS-REWPJTCUSA-N 489.597 4.988 5 1 JJBF CCN(CC)C(=O)[C@H]1CCCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)C1 101150171 XMHZITDXDSDONG-HNNXBMFYSA-N 495.576 4.590 5 1 JJBF CCOc1cc(NC(=O)CCCCCCC(=O)Nc2ccccc2N)cc2c1OCC([N+](=O)[O-])=C2 1772614225 LWBOIYGPRXHUIW-UHFFFAOYSA-N 482.537 4.595 5 1 JJBF Cn1c2ccc([N+](=O)[O-])cc2c2nnc(SCCNc3ccnc4cc(Cl)ccc34)nc21 103225746 QKQKMAPBURKCJI-UHFFFAOYSA-N 465.926 4.831 5 1 JJBF O=c1cccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)n1CCOc1ccccc1Cl 587065077 YYQQJCLBQCGIQX-UHFFFAOYSA-N 489.713 4.795 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(C(C)=O)c2c1 587621273 RPFPZCMARVVHJU-UHFFFAOYSA-N 483.477 4.894 5 1 JJBF O=C(O[C@@H]1C[N+]2(CCCc3ccc(F)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857551060 ROGWHWMEXSUERD-WAVDKVAFSA-N 474.596 4.847 5 1 JJBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148907 SULVGCWVDXVYNG-RTBURBONSA-N 451.571 4.939 5 1 JJBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1Cl 587118909 RNBODPFQQJKQNZ-UHFFFAOYSA-N 466.763 4.963 5 1 JJBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587119076 WTVFANBORYQMDP-UHFFFAOYSA-N 488.142 4.704 5 1 JJBF O=[N+]([O-])c1ccc(O)c2nc([C@H]3NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)ccc12 962961169 SLYLFAKORWSPRA-OAQYLSRUSA-N 459.424 4.608 5 1 JJBF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc(Cl)cc1[N+](=O)[O-] 586985750 JSPZSYINYRCNJZ-UHFFFAOYSA-N 459.845 4.895 5 1 JJBF COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@H]2NCCc3ccc(C(=O)N(C)C)cc32)c1 962930525 YIMBSQPDUBPJCE-VWLOTQADSA-N 493.585 4.700 5 1 JJBF CC[C@H]1C[N@@+]2(O)CCc3cc(O)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1ccc(O)cc21 1911573805 BHEUZLKQYKAAAO-NOMUPUFGSA-O 478.613 4.714 5 1 JJBF CS(=O)(=O)c1cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586925201 FYCWCLBYIVZQNH-UHFFFAOYSA-N 457.895 4.774 5 1 JJBF C[C@]1(CC(=O)OCc2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340487 HVXPRIHEBQAUDD-UKILVPOCSA-N 465.433 4.691 5 1 JJBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccccc1OC 4275065 ZRAFWFWGMKMGRT-BJKOFHAPSA-N 483.521 4.662 5 1 JJBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCCc2ccc(OC)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 49112544 WIRHBSQCWOVAMI-RUZDIDTESA-N 494.544 4.577 5 1 JJBF CCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1 64560319 SMQRNIUHTYOXCK-JOCHJYFZSA-O 450.644 4.517 5 1 JJBF O=C(O)C1=Cc2ccccc2O[C@@]1(OCc1cc(-c2ccc([N+](=O)[O-])cc2)no1)C(F)(F)F 169309673 PVKYKZZUFIQDNK-HXUWFJFHSA-N 462.336 4.586 5 1 JJBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587262168 FMKBWUWLDBRSGV-BYCMXARLSA-N 492.429 4.634 5 1 JJBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1 587263131 NCXQJEDZUXZCDW-UHFFFAOYSA-N 486.937 4.855 5 1 JJBF O=[N+]([O-])c1ccc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c([N+](=O)[O-])c1 587265701 WPEYLHDFWBVGOP-UHFFFAOYSA-N 461.150 4.631 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc([N+](=O)[O-])c3)c(C)c2c1 587621506 UZPVUAQIDBNTMQ-UHFFFAOYSA-N 482.474 4.769 5 1 JJBF COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587747435 NTRMVRCCOLCNHC-LAJNKCICSA-N 460.303 4.919 5 1 JJBF CN(C)C(=O)c1ccc2c(c1)[C@](c1ccc(F)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)NCC2 962926369 BSIZSFRSANOMRC-DEOSSOPVSA-N 453.901 4.527 5 1 JJBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCCCc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 169723575 NUVCGNYKSUFXRR-LADGPHEKSA-N 464.518 4.782 5 1 JJBF CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239667 MYPINEGZLRXFCU-VQDICGIKSA-N 450.923 4.680 5 1 JJBF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(C)cc4[N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O 587432763 LPYISDKGQWBZCU-SIBVEZHUSA-N 461.470 4.988 5 1 JJBF C[C@@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)[C@@H]1C 5493638 WPRZEZBEIDYKAF-CKEIUWERSA-N 450.944 4.636 5 1 JJBF Clc1ccc(-n2cc(CN3CCN(c4nc5ccccc5c5ccccc45)CC3)nn2)cc1 103247825 PKJSWCDCRZTSQY-UHFFFAOYSA-N 454.965 4.944 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3CCCC[C@H]3C)c2c1 587620834 HURCVVBWLNJQPF-CQSZACIVSA-N 458.540 4.573 5 1 JJBF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2C2(CCN(c3ccc([N+](=O)[O-])cc3F)CC2)N1 963181790 RGGQPWYTKUODKF-QGZVFWFLSA-N 487.837 4.501 5 1 JJBF O=C(O)c1cc2[nH]c([C@@H](O)c3cccc(O)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586891992 QOFYZFNICWPJII-SANMLTNESA-N 494.459 4.632 5 1 JJBF O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc([N+](=O)[O-])c21 587573386 BKYSQVAUNPEWGB-WNCULLNHSA-N 465.417 4.750 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3O)c(C)c2c1 587620021 OOFZXIKMPVMDOH-UHFFFAOYSA-N 471.466 4.706 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587748621 AOUPYUYEOJDGGI-LAJNKCICSA-N 475.318 4.661 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2N)N1 587749498 YSJLHLOYFWEPJR-WHEQGISXSA-N 456.315 4.905 5 1 JJBF CCCc1c(O)ccc2c1O[C@@](c1ccc(NC)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)CC2=O 587472546 JMMJWZMAFXNSGY-SANMLTNESA-N 476.485 4.902 5 1 JJBF O=C(c1cc(N2CCCCC2)ccc1[N+](=O)[O-])n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660500 GCGAUYCVNMKQLR-UHFFFAOYSA-N 472.476 4.790 5 1 JJBF CCOc1ccc(-c2nn(C(=O)CNc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1OCC 587670431 YOBRCWGXHQWVMB-UHFFFAOYSA-N 488.500 4.521 5 1 JJBF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC(F)F 587714082 GDCTVJPPTZCPKS-QPFGOUBPSA-N 461.234 4.730 5 1 JJBF COc1cc2c(cc1OC)[C@@H](c1ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc1)N(C)[C@H](C)C2 962577217 XWERCEONXDDFSS-PUAOIOHZSA-N 462.502 4.797 5 1 JJBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccccc1OC 4275070 UMVQQDLMVWTSTE-DQEYMECFSA-N 499.564 4.951 5 1 JJBF COC(=O)c1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c(F)c1Nc1ccccc1 587149516 UIPKXJBJPCYSNM-UHFFFAOYSA-N 454.389 4.859 5 1 JJBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587269021 HGQREAKWNUFJIR-UHFFFAOYSA-N 460.162 4.524 5 1 JJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3nn(C)cc3[N+](=O)[O-])c(OCC)c1)CC2=O 587470526 KSFHJESQFPOZOD-OAQYLSRUSA-N 467.478 4.884 5 1 JJBF O=[N+]([O-])c1ccc(O)c2nc([C@@H]3NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)ccc12 962961166 SLYLFAKORWSPRA-NRFANRHFSA-N 459.424 4.608 5 1 JJBF COc1ccc(-c2cc(Cl)cn3c([N+](=O)[O-])c(CS(=O)(=O)c4ccccc4)nc23)cc1 1857771057 JMHASKIYQUPUQJ-UHFFFAOYSA-N 457.895 4.545 5 1 JJBF O=[N+]([O-])[C@H]1[C@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@@H]1c1cccnc1 28713117 OSNQDOFNTGZEMD-NNWRFLSQSA-N 453.340 4.615 5 1 JJBF O=C(NCC1CC1)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1 82135138 AYQVBWVLOAHGLS-UHFFFAOYSA-N 471.439 4.823 5 1 JJBF CC1(C)OC(=O)C[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586905925 AHNTUYMMVFBCLK-SFHVURJKSA-N 484.464 4.654 5 1 JJBF CC(C)OC(=O)N1c2c(c(=O)oc3ccccc23)N[C@H](c2ccc([N+](=O)[O-])cc2)N1C(=O)OC(C)C 1772619633 XDMFQJGFCIXKTN-NRFANRHFSA-N 496.476 4.939 5 1 JJBF O=[N+]([O-])c1cccc(-c2nc(N3CCC(O)CC3)ncc2-c2ncc(-c3ccccc3)s2)c1 82163705 WHQJOBXCBYDJDH-UHFFFAOYSA-N 459.531 4.803 5 1 JJBF O=C1C([C@H](c2ccc([N+](=O)[O-])cc2)N2CCOCC2)=C(O)[C@@H](c2ccccc2)N1c1ccccc1 102961474 WUCFWPWMJKDQQM-LOSJGSFVSA-N 471.513 4.568 5 1 JJBF C[C@]1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342349 NEBVXUKOFQXTLN-LADGPHEKSA-N 450.422 4.586 5 1 JJBF COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4c([N+](=O)[O-])cccc14)[C@@H](C2)C3=O 587429246 AEJPYFSOVVPTRS-OYHNWAKOSA-N 450.447 4.830 5 1 JJBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587265050 RRMZMYPQPDENRX-JKYUHCHBSA-N 459.768 4.586 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(N)c2c1 587618501 STMUCWFQLYDEGQ-UHFFFAOYSA-N 472.910 4.788 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc(F)cc3)c2c1 587620554 DQLNBKJNQFPLFO-UHFFFAOYSA-N 498.492 4.585 5 1 JJBF COCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2481218 KDJGMHMIBZCPFQ-UHFFFAOYSA-N 450.278 4.990 5 1 JJBF CCc1nc(N)nc(N)c1-c1ccc(N(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1 26503070 IRPUKYZSRMCQGP-UHFFFAOYSA-N 454.534 4.985 5 1 JJBF O=C(CCCCN1CCN(c2ccc(Cl)cc2)CC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 473090141 MZGSPNOCILJQET-UHFFFAOYSA-N 473.986 4.789 5 1 JJBF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cs1 587019446 NHIKUFTWYAILPG-UHFFFAOYSA-N 454.306 4.628 5 1 JJBF CCN(CC)c1ccc(-c2nn(C(=O)c3ccc([N+](=O)[O-])cc3Cl)c(=O)c3ccccc23)c(O)c1 587666320 WMTLSYPJVSVHIY-UHFFFAOYSA-N 492.919 4.865 5 1 JJBF CCCNCc1ccc(-c2ccc(CN(CCOC)C(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)nc1 45230110 LYDYIJLRENPPLK-UHFFFAOYSA-N 476.577 4.754 5 1 JJBF CS(=O)(=O)c1ccc2cc([C@@H](O)C[C@@H]3CCCCN3)c3ccc(C(F)(F)F)cc3c2c1 169339432 FTVGFDBBBXJAAM-AOMKIAJQSA-N 451.510 4.981 5 1 JJBF COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(I)c1 587180746 YUPLDQHBFRTHDJ-UHFFFAOYSA-N 452.255 4.940 5 1 JJBF O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c([N+](=O)[O-])ccc(O)c21 587341934 KUBKYYPFGLUMCT-RBJSKKJNSA-N 497.434 4.992 5 1 JJBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1c(Br)cccc1-c1cnn(C)c1 587934445 FSKKUQRKRUANPZ-CYBMUJFWSA-N 463.332 4.775 5 1 JJBF COc1cccc([C@@]2(Cc3ccc([N+](=O)[O-])cc3)NCCc3cnc4c(OC)cccc4c32)c1 963046565 KTJNCLOZLQTIBS-HHHXNRCGSA-N 455.514 4.792 5 1 JJBF COc1ccc2c(c1[N+](=O)[O-])[C@@]1(CC2)c2c(C)cccc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963863363 UXUWOVJPROFEOL-WXTAPIANSA-N 482.533 4.738 5 1 JJBF COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4ccc([N+](=O)[O-])cc14)[C@@H](C2)C3=O 587434083 QWEJBMNLYWTESU-KSFYIVLOSA-N 450.447 4.830 5 1 JJBF CC1(C)OC(=O)C[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586905922 AHNTUYMMVFBCLK-GOSISDBHSA-N 484.464 4.654 5 1 JJBF COc1cc(OCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] 587263389 SNMWRLDCNLKGMA-UHFFFAOYSA-N 450.289 4.856 5 1 JJBF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@]1(CCc3cc([N+](=O)[O-])ccc31)N2C(=O)OC(C)(C)C 962709101 MTQVGJPDGMQSQV-FTJBHMTQSA-N 482.508 4.575 5 1 JJBF COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NC2CCCCC2)cc1 773927 BKKPZEBPVVRMCP-UHFFFAOYSA-N 465.462 4.717 5 1 JJBF COc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(I)c1 587178778 LFIKFLNMTRGRBD-UHFFFAOYSA-N 474.052 4.514 5 1 JJBF Nc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587574367 FWKUWJTYRBEIPP-BVAGGSTKSA-N 454.438 4.788 5 1 JJBF Cn1cc([N+](=O)[O-])c(Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)n1 587577566 SSJGROMUFNRMCX-NFBKMPQASA-N 459.414 4.529 5 1 JJBF CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccccc1N 4080154 HYHPUNHGLGOFPY-VWNXMTODSA-N 494.935 4.637 5 1 JJBF CC(C)N(c1ccc([C@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 34891813 VJPWMKBQLPVWFS-KRWDZBQOSA-N 466.865 4.622 5 1 JJBF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587430846 CASBQXSFWWPKII-RXFWQSSRSA-N 453.454 4.945 5 1 JJBF Cn1cc([N+](=O)[O-])c(Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)n1 587577569 SSJGROMUFNRMCX-REWPJTCUSA-N 459.414 4.529 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12 587750326 HQXXXWUZFSLTML-SPSFWMDKSA-N 467.294 4.867 5 1 JJBF O=C(O)C1=Cc2ccccc2O[C@]1(OCc1cc(-c2ccc([N+](=O)[O-])cc2)no1)C(F)(F)F 169309674 PVKYKZZUFIQDNK-FQEVSTJZSA-N 462.336 4.586 5 1 JJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cnc3ccccc3c2[nH]1 586948885 PVUJLMBFBSHNIX-UHFFFAOYSA-N 459.487 4.796 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc([N+](=O)[O-])c[nH]2)(C(Cl)(Cl)Cl)N1 587690112 ZENZHNUHISBSCD-UOWDBTKRSA-N 471.541 4.973 5 1 JJBF CC(C)C[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962926863 NKQPXPFNCYIUSG-AZGAKELHSA-N 462.502 4.981 5 1 JJBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCOc1ccccc1 4215356 YSGRIKWGKDQXLY-RPWUZVMVSA-N 483.521 4.533 5 1 JJBF CC(=O)N1N=C(c2ccc(OCc3cn(Cc4ccc([N+](=O)[O-])cc4)nn3)cc2)C[C@@H]1c1ccccc1 98082381 SHGACEMEYWIXAY-HHHXNRCGSA-N 496.527 4.511 5 1 JJBF COc1cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1OCC(=O)Nc1ccc(Br)cc1 586996209 SWNKDHXVQOVDPK-UHFFFAOYSA-N 497.305 4.927 5 1 JJBF CC[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)n1cc(I)c(C)n1 587184403 JFBRYUWRMSPHOH-HNNXBMFYSA-N 468.302 4.768 5 1 JJBF CC(=O)CCCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ncc(-c2ccccc2)[nH]1 40394288 JAAMXBCUFMLBAV-FQEVSTJZSA-N 488.541 4.683 5 1 JJBF CC(C)COc1cc(C(=O)Nc2ccc(C(=O)O)cc2OCc2ccncc2)ccc1[N+](=O)[O-] 299852400 RFVKHDMLDZGOHH-UHFFFAOYSA-N 465.462 4.554 5 1 JJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1F 587140303 YEEUMVAYZRATIK-UHFFFAOYSA-N 452.998 4.584 5 1 JJBF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c12 587273210 JDSAEZHKZFUKSK-UHFFFAOYSA-N 458.400 4.572 5 1 JJBF O=[N+]([O-])c1ccc(-c2nc3sc(Cc4noc5ccccc45)nn3c2Br)cc1 43118465 KGYQFBQFYIYKPS-UHFFFAOYSA-N 456.281 4.861 5 1 JJBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCCc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 49784128 NGROOZMESKWZQC-XMMPIXPASA-N 464.518 4.569 5 1 JJBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCC(C(=O)OCC)CC3)c([N+](=O)[O-])c1)CC2=O 587472524 JDGRGOSLFCXZKG-MHZLTWQESA-N 496.560 4.913 5 1 JJBF Cn1cc([N+](=O)[O-])c(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587576242 NPMMQIZNPXKOJW-OFNKIYASSA-N 459.414 4.529 5 1 JJBF O=C(c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1)n1nc2cc1Oc1ccc(F)cc1-2 587873140 VGFVUGOGOSAVBK-UHFFFAOYSA-N 484.241 4.399 5 1 JJBF CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)O/C2=C\c2cccc([N+](=O)[O-])c2)cc1 96923089 AOLHTQDLHWAXQZ-STZFKDTASA-N 465.458 4.646 5 1 JJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(O)c(Br)ccc4[nH]3)cc2)nc1C(F)(F)F 587117292 BRRDOMOMLCXVFI-UHFFFAOYSA-N 482.216 4.870 5 1 JJBF COc1ccc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1COc1ccc([N+](=O)[O-])cc1Cl 963036081 WXSATVVNJNYOFT-DXPJPUQTSA-N 493.947 4.979 5 1 JJBF CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCCc1c[nH]c2ccccc12 775689 RUABHMNKENSZNU-UHFFFAOYSA-N 476.489 4.730 5 1 JJBF COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2C1 84653541 MQVDBYGXBYZOBA-NRFANRHFSA-N 486.933 4.801 5 1 JJBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(Br)ccc(Br)c3[nH]2)c1 587261420 BHMAABPTSVUGIF-UHFFFAOYSA-N 455.106 4.926 5 1 JJBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1nn(C)cc1[N+](=O)[O-] 587573813 DCOGLUHZDHJCHQ-QPPBQGQZSA-N 489.440 4.538 5 1 JJBF CC(=O)c1ccc2c(c1)[C@H](c1cc(Cl)ccc1[N+](=O)[O-])N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962625356 HMEHIURQZYYPHA-VQTJNVASSA-N 474.897 4.787 5 1 JJBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1ccc(F)cc1 4213893 BGCWVILVSFCQJD-ZEQRLZLVSA-N 485.512 4.835 5 1 JJBF COC(=O)C1=C(C)NC(C)=C(c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@H]1c1cccc(Cl)c1Cl 587055840 NPRZLKOLSQJKFA-QGZVFWFLSA-N 474.304 4.738 5 1 JJBF COC(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 587341259 YDNUYBIGJOVVDL-XUZZJYLKSA-N 466.421 4.892 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(O)c([N+](=O)[O-])c2)N1 587676077 FCKUCAPIXIFFCE-NZFNHWASSA-N 460.097 4.588 5 1 JJBF CC1(C)Cc2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)cc5C(=O)O)CC4(C)C)cc3C(=O)O 49068686 HMHMMHWBIBJFCU-UHFFFAOYSA-N 458.518 4.752 5 1 JJBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587266456 YBFILAAUMKPCBD-INIZCTEOSA-N 485.422 4.690 5 1 JJBF COc1ccc2c(c1OC)[C@@]13CC[N+](C)(C)[C@@H](C2)[C@]12C=C[C@@]1(OC)[C@H]3N=C(c3ccccc3)[C@]1(C)C2 299869939 DOHPOTFCTOJIQG-YAYUTTHUSA-N 485.648 4.569 5 1 JJBF in-vivo CCCCc1c(-c2cn(C)nc2C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587620169 AFHMPSKOWHRYMB-UHFFFAOYSA-N 497.577 4.937 5 1 JJBF O=C1c2ccccc2[C@@](OCCCCO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 59151966 MSILRQSPKGOYIL-VWLOTQADSA-N 466.921 4.894 5 1 JJBF O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)c1ccccc1)c1ccc([N+](=O)[O-])cc1C(F)(F)F 72178169 ITCTVQHAWXRREG-HNENSFHCSA-N 481.858 4.964 5 1 JJBF COc1ccc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587745934 IMSIXOFLYOCGRE-XUSGNXJCSA-N 460.303 4.919 5 1 JJBF COc1cccc2cc3c(nc12)[C@](c1ccc(OC(C)=O)cc1)(c1ccc([N+](=O)[O-])cc1)NCC3 963046902 LQGQAMKUDUELOL-HHHXNRCGSA-N 469.497 4.515 5 1 JJBF C[N+](C)(C)CCO[P@@](=O)(O)OC[C@H](COCc1ccccc1)OCc1cccc2ccccc12 40916968 RZIBNWWSXBUXJC-VWLOTQADSA-O 488.541 4.782 5 1 JJBF CN(C)CCNC(=O)c1ccc(NCc2ccncc2)c2c(O)c3cc(Cl)cc(Cl)c3nc12 299859611 GAANJGVEIFKOCE-UHFFFAOYSA-N 484.387 4.699 5 1 JJBF CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587514432 YCXAEFFOBVLXKC-RUZDIDTESA-N 478.545 4.960 5 1 JJBF C[C@]1(c2ccc(Br)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542439 XUIFVUKOKARWAW-WIYYLYMNSA-N 456.248 4.940 5 1 JJBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)N1 963202609 ZUFPRYJSDXNBSE-MEBBXXQBSA-N 484.736 4.854 5 1 JJBF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82214852 HWVUTVTWKSDKMS-HDICACEKSA-N 451.571 4.939 5 1 JJBF COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587749871 ZVUHQQHDPHOFBZ-QKVFXAPYSA-N 460.303 4.919 5 1 JJBF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4076153 BCVILJFBDNPAFF-YYESAEFZSA-N 480.348 4.517 5 1 JJBF C[C@@]1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342350 NEBVXUKOFQXTLN-UPVQGACJSA-N 450.422 4.586 5 1 JJBF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC(F)F 587712468 AZQZXKBYEYNYIU-WNWIJWBNSA-N 461.234 4.730 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587264865 URGDQYTZQIFHSO-ZDUSSCGKSA-N 457.446 4.919 5 1 JJBF Cc1nn(Cc2ccccc2-c2nc3ccc(I)cc3[nH]2)c(C)c1[N+](=O)[O-] 587268089 WWLPFLGYUCWONQ-UHFFFAOYSA-N 473.274 4.604 5 1 JJBF O=[N+]([O-])c1cc(Br)ccc1CN1CCc2cc(NS(=O)(=O)C3CCCCC3)ccc21 1857603564 LTLYQOBEAXVJCH-UHFFFAOYSA-N 494.411 4.994 5 1 JJBF CNc1nc(Nc2c(C)cc(C)cc2C)nc(NC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)n1 73295010 HUMIFFIGBBBJLE-UHFFFAOYSA-N 476.585 4.567 5 1 JJBF O=c1c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170905 GMJPGZHKZPTCBU-UHFFFAOYSA-N 461.222 4.829 5 1 JJBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587276947 OVVWXERBRHVAQE-CYBMUJFWSA-N 456.300 4.813 5 1 JJBF O=C1c2ccccc2[C@@](OC/C=C\CO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 66102848 ZSXCWVPXSODIRG-CELOVTIJSA-N 464.905 4.670 5 1 JJBF C[C@@]1(c2cccc(Br)c2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539368 IDJSJMAVLAYAFT-UWJYYQICSA-N 456.248 4.940 5 1 JJBF Cc1cc(NS(=O)(=O)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2C(F)(F)F)c(Cl)cc1Cl 64448178 ZRLBTHMRMLXVMZ-UHFFFAOYSA-N 474.200 4.938 5 1 JJBF Nc1ncc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(C(F)(F)F)c5)c4c3c2)cn1 71318048 FBVHMAKBERSOGA-UHFFFAOYSA-N 451.383 4.736 5 1 JJBF CC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987929 VLVCQBFEZSCNMU-GOSISDBHSA-N 483.436 4.884 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587752951 UTABWJIEJSUBNV-QKVFXAPYSA-N 475.318 4.661 5 1 JJBF CN(C1CCCCC1)C1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 1857767814 ZNTTWDXOMFRFPL-UHFFFAOYSA-N 470.517 4.817 5 1 JJBF O=c1[nH]nc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)n1C1CCCCC1 1860811 BYBLYGQFUXYQTB-UHFFFAOYSA-N 477.366 4.939 5 1 JJBF CCCCOc1ccc(C[N+]2(C)[C@H]3CC[C@@H]2CC(OC(=O)[C@@H](CO)c2ccccc2)C3)cc1 15848216 ALVDDLOWVXJXCD-FFKPWKSBSA-N 452.615 4.825 5 1 JJBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1[N+](=O)[O-] 586941590 KZNNVRYLNCQBAM-UHFFFAOYSA-N 486.600 4.823 5 1 JJBF O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@H]2CCCC[C@@H]21 587026300 KWVIUGXIWBXXLW-AZOIQLNYSA-N 455.496 4.516 5 1 JJBF O=C(C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1)OCc1ccccc1 587203797 UKUPUXSQWZEICZ-JOCHJYFZSA-N 474.473 4.572 5 1 JJBF Cc1ccc(CNC(=O)c2cc(-c3ccccc3)nn2C[C@H]2CC(c3cccc([N+](=O)[O-])c3)=NO2)cc1 12477154 QSUJIBIJWFKIBQ-XMMPIXPASA-N 495.539 4.890 5 3 JJBF COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc1)CC2 40913976 GAVZNCJRMXEVRP-UHFFFAOYSA-N 476.533 4.857 5 1 JJBF C[C@H](CC(=O)O)[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549233 ZASXUSWIPDNGKC-KCSLVJNWSA-N 483.860 4.922 5 1 JJBF Nc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587574369 FWKUWJTYRBEIPP-OZXSUGGESA-N 454.438 4.788 5 1 JJBF O=C(NCCCN1CCCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4206058 XHFVTMUDHLXWJD-RBBKRZOGSA-N 491.375 4.596 5 1 JJBF CCCCOc1ccc(C[N+]2(C)[C@@H]3CC[C@@H]2CC(OC(=O)[C@@H](CO)c2ccccc2)C3)cc1 100218063 ALVDDLOWVXJXCD-SCKCMBOOSA-N 452.615 4.825 5 1 JJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4nccc(Br)c4[nH]3)cc2)nc1C(F)(F)F 587119551 XZFHYBFFYCYGAC-UHFFFAOYSA-N 467.205 4.559 5 1 JJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])c(Br)cc1F 587559867 ZWKJFAWOPPLYNC-YLJYHZDGSA-N 460.211 4.905 5 1 JJBF NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 254017899 PLBPJLPIDAWWPE-WAKVWTGMSA-N 486.572 4.624 5 3 JJBF CC(C)N(c1ccc([C@@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 34891814 VJPWMKBQLPVWFS-QGZVFWFLSA-N 466.865 4.622 5 1 JJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc([N+](=O)[O-])cn2ccnc12 587574079 ALWKAQBCTZSKIP-HOFKKMOUSA-N 479.448 4.854 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3CCCCCC3)c2c1 587621078 OJIUCNKNVONZKE-UHFFFAOYSA-N 458.540 4.574 5 1 JJBF CC(C)C[C@@]1(c2ccc([N+](=O)[O-])cc2)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963137094 HHEUJYRHYZXNQE-HTAPYJJXSA-N 461.540 4.587 5 1 JJBF C[C@@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 26163081 QHNMWCWNYWVMDS-OFNKIYASSA-N 489.597 4.988 5 1 JJBF CC(C)CN(C)c1ncc(C(=O)NCc2ccccc2Cl)c(-c2cccc([N+](=O)[O-])c2)n1 82135631 IRILKABVUBYVLO-UHFFFAOYSA-N 453.930 4.727 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587261534 CDDPVCVACHVKBW-VIFPVBQESA-N 474.342 4.871 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c3cccnc3c3ncccc3c2[nH]1 587265614 XBZCZHBKBYSIPO-CYBMUJFWSA-N 457.446 4.919 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 587750896 KHCCJOOGJKNTHT-SHACYNPGSA-N 496.336 4.821 5 1 JJBF C[N+](C)(C)C[C@H](c1c[nH]c2cc(Br)ccc12)c1c(=O)c(O)c2[nH]ccc3[nH]ccc1c32 205428988 SEYPOVFNBREYAZ-QGZVFWFLSA-O 480.386 4.797 5 1 JJBF O=C1OCC2=C1[C@@H](c1ccc(O)c(Br)c1)c1c(c3cccnc3c3ncccc13)N2 299836428 GPLGXOLMSGHYJU-KRWDZBQOSA-N 460.287 4.619 5 1 JJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c12 587154414 MVWRFOGWJKIXKP-UHFFFAOYSA-N 491.298 4.841 5 1 JJBF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc([N+](=O)[O-])c1 82134606 FIWZHSIRDTUXPE-KKSFZXQISA-N 489.532 4.701 5 1 JJBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Cl 586957832 FIPYTAKKIXDZDK-YHBQJITHSA-N 460.943 4.819 5 1 JJBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587268991 GLSLDXYTXTZURX-UHFFFAOYSA-N 460.162 4.524 5 1 JJBF CC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(C)c2ccsc2CCN1Cc1ccco1 962701045 CRVNWFPAXPAZFB-NFBKMPQASA-N 469.519 4.879 5 1 JJBF 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454.589 4.868 5 1 JJBF COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCn1ccnc1[N+](=O)[O-] 299821873 LHRIOONCESTBQE-UHFFFAOYSA-N 472.864 4.748 5 1 JJBF O=[N+]([O-])c1cnc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)s1 1772633817 DXRGGPJYOLXSJU-UHFFFAOYSA-N 477.337 4.525 5 1 JJBF O=[N+]([O-])c1cc(/C=C/c2nc3c(I)cnc(Cl)c3[nH]2)ccc1Cl 587047486 ITGFRVZFCFNSMZ-DUXPYHPUSA-N 461.046 4.948 5 1 JJBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587264052 JMLALJAUBQTZKT-MLXNANBUSA-N 459.768 4.586 5 1 JJBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587264510 NBJKBDFVPVKALF-NXSYQRQQSA-N 493.320 4.951 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2N)N1 587749814 ZMCSSUXEOYXVOA-WHEQGISXSA-N 456.315 4.905 5 1 JJBF COCCNc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1[N+](=O)[O-] 587261755 HSZONEPZMIYTEW-UHFFFAOYSA-N 470.121 4.721 5 1 JJBF CCOC(=O)C[C@@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420972 KALSSMFYYKXEOM-ASSNKEHSSA-N 466.273 4.506 5 1 JJBF CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587747932 QYJAMSIIJKPYIL-DBLBYYFGSA-N 494.317 4.602 5 1 JJBF O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1[C@H]1CC[C@@H](CO)CC1)c1cccc([N+](=O)[O-])c1 653749361 QPKFIZDVDMZSPR-IQGASKDCSA-N 491.592 4.906 5 1 JJBF COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 774007 YMJKNAJOROJKFF-IEBWSBKVSA-N 471.897 4.612 5 1 JJBF O=C(O)c1cc2[nH]c(-c3csc(O)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587017728 OIFSQJYEEYXTMI-UHFFFAOYSA-N 471.450 4.674 5 1 JJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(I)c2[nH]1 587053997 IAUBRCDBZSSILX-OAHLLOKOSA-N 498.708 4.856 5 1 JJBF CCOC(=O)CCc1[nH]c2cccc([N+](=O)[O-])c2c1CC(=O)c1ccc(Br)cc1 587643331 DGNDVFSKFAGBHC-UHFFFAOYSA-N 459.296 4.760 5 1 JJBF Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963510320 PVQQODFUIUHTLN-WMZHIEFXSA-N 450.516 4.757 5 1 JJBF 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COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])[C@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962638244 KWCLHCOAAGJULA-GJJJYAFRSA-N 483.568 4.814 5 1 JJBF Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3c4ccccc4nc4ccccc34)cc2)n1 5579235 KSRNAWGBIYPGAS-UHFFFAOYSA-N 483.553 4.848 5 1 JJBF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82214774 XCSYBFHQBRRBFB-SUWCGCSTSA-N 451.571 4.843 5 1 JJBF C[C@H]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCCCCCCCCC(=O)O1 103218187 RQSOYZVTCKQOSV-RBUKOAKNSA-N 454.589 4.868 5 1 JJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Br)c([N+](=O)[O-])cc12 587545990 NFRGHJZMISMYSE-UGKGYDQZSA-N 468.259 4.866 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(F)(F)F)c2c1 587619487 HAMHTWLTCAZONS-UHFFFAOYSA-N 483.346 4.923 5 1 JJBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 587861129 JZWAVKNMXDOXGF-UHFFFAOYSA-N 470.201 4.937 5 1 JJBF C[N@@+]1(CCCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 261116514 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COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCCCc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 169723576 NUVCGNYKSUFXRR-VWNXMTODSA-N 464.518 4.782 5 1 JJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(F)cnc(Br)c2[nH]1 587053122 BKKDPPPTJOVRIM-LBPRGKRZSA-N 470.686 4.548 5 1 JJBF COC(=O)c1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c(F)c1Nc1ccccc1 587268455 YPSXWOQVPJMNSY-UHFFFAOYSA-N 452.446 4.509 5 1 JJBF COc1cc2c(cc1OC)[C@@H](c1c(-c3ccc([N+](=O)[O-])cc3)nc3sccn13)N(C)[C@@H](C)C2 962566790 JAFJRZRXAYXAIR-FPTDNZKUSA-N 464.547 4.954 5 1 JJBF O=C(O)c1ccc(CSc2nc3n(n2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(O)CCCC2=N3)cc1 104060399 YMPJEAJGSJGPRG-FQEVSTJZSA-N 477.502 4.848 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc([N+](=O)[O-])c[nH]2)(C(Cl)(Cl)Cl)N1 587690110 ZENZHNUHISBSCD-JKYUHCHBSA-N 471.541 4.973 5 1 JJBF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](c2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 962926853 NAZGSPSSZRAUES-XCZPVHLTSA-N 482.492 4.984 5 1 JJBF N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c5ccc6c7ccccc7ccc6c5oc2c34)C1 1658939 ODUKWYWEUZJFKM-OAHLLOKOSA-N 481.483 4.880 5 1 JJBF Cc1ccc2c3c(ccc(N(C)Cc4ccc(S(=O)(=O)c5ccc([N+](=O)[O-])cc5)cc4)c13)N=C2N 13450236 YJPAPVVHSXLXGH-UHFFFAOYSA-N 486.553 4.876 5 1 JJBF CC1CCN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 82149629 STRHEPOETUWOBK-UHFFFAOYSA-N 463.513 4.718 5 1 JJBF COc1c(OC(F)F)ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1[N+](=O)[O-] 587552560 AMOXOVYIFYSZEO-UZLBHIALSA-N 459.357 4.613 5 1 JJBF COc1ccc(CN2C(=O)C[C@@H](c3ccccc3Cl)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)cc1 653732485 CTXKOFYCZRLTPB-GPUOULLFSA-N 466.921 4.957 5 1 JJBF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 775211 FPGVWPIGHJMWAZ-PXAZEXFGSA-N 461.877 4.846 5 1 JJBF O=C(N[C@@H](Cc1ccccc1)C(=O)NCC1CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82075443 NTNFLHWSTBOZDX-NRFANRHFSA-N 492.601 4.756 5 1 JJBF CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 13560030 FCHAXEBXQFKFLY-UHFFFAOYSA-N 456.908 4.584 5 1 JJBF COc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2cc1Cl 586947936 BSNXQEHMLIMDBF-UHFFFAOYSA-N 472.910 4.909 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(F)c(Br)c2[nH]1 587264428 RNYXLZIWWKEVBD-SECBINFHSA-N 452.236 4.724 5 1 JJBF CCOc1cc(/C=C\c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc(Br)c1OC 586978613 YQZXPZIEYTZAPF-PLNGDYQASA-N 463.244 4.720 5 1 JJBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587267691 PCCKNABPKDVJII-NSHDSACASA-N 476.390 4.996 5 1 JJBF COc1ccc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587744301 CYGLTECTYYSUHK-XUSGNXJCSA-N 460.303 4.919 5 1 JJBF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](c2ccccc2)(c2cccc([N+](=O)[O-])c2)N1 962926854 NAZGSPSSZRAUES-XTEPFMGCSA-N 482.492 4.984 5 1 JJBF c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\CCN2CCNCC2)cc1 27649227 SEFVTWPURBFKKF-HMZBKAONSA-N 474.612 4.680 5 1 JJBF CC(C)CCOc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 586920192 NVZRMDCRDFGZRD-UHFFFAOYSA-N 482.356 4.632 5 1 JJBF COCCOc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1[N+](=O)[O-] 587266412 WQAHPGCCEFBXGD-UHFFFAOYSA-N 471.105 4.688 5 1 JJBF O=C(NCc1cccs1)c1cc(-c2ccccc2)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 12477134 WVGSMUFQJJLEMW-FQEVSTJZSA-N 487.541 4.643 5 3 JJBF CCN(CCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1cccc(OC(=O)NC)c1 13781335 HXQCOCVRUGEICR-UHFFFAOYSA-N 460.530 4.955 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N)c([N+](=O)[O-])c2)N1 587747887 QTJQHNJLGXIPGF-MCMMXHMISA-N 456.315 4.905 5 1 JJBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCOc1ccccc1 4215364 GOZIJJMBCNVOFW-RPBOFIJWSA-N 499.564 4.821 5 1 JJBF O=C(O)c1cc2[nH]c(C[S@@](=O)CC3CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586958768 IODWLYDCGKNREM-DHUJRADRSA-N 488.521 4.504 5 1 JJBF O=C1Oc2ccccc2C(=O)[C@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccc([N+](=O)[O-])cc1 587211454 QMEPFXOWMUOZNU-BKMJKUGQSA-N 464.477 4.986 5 1 JJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCC(C(=O)OCC)CC3)c([N+](=O)[O-])c1)CC2=O 587472733 LWQCWNSEUBOATG-XMMPIXPASA-N 482.533 4.739 5 1 JJBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccc([N+](=O)[O-])cc2)c1O 587943285 UHWLPVPYDZFRLC-UHFFFAOYSA-N 452.192 4.582 5 1 JJBF Cc1cc2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2cc1[N+](=O)[O-] 586954102 ABZCPIVHLSVDHF-UHFFFAOYSA-N 450.520 4.501 5 1 JJBF N[C@@H](c1ccsc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587024523 BTTBERZUSBDRTM-DEOSSOPVSA-N 483.505 4.955 5 1 JJBF COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])[C@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962638255 KWCLHCOAAGJULA-RJSIMPPXSA-N 483.568 4.814 5 1 JJBF COc1cc(C(=O)c2cn(-c3cccc(N)c3)cc2-c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 1857541579 LNLTVZVADAJZDQ-UHFFFAOYSA-N 473.485 4.892 5 1 JJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc2)nc1C(F)(F)F 587117892 HJOCGIGRMRUOJU-UHFFFAOYSA-N 467.310 4.723 5 1 JJBF CCOC(=O)c1cccc([C@]2(c3ccc([N+](=O)[O-])cc3)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962731909 UVRAETPVHOEVNU-DHLKQENFSA-N 498.457 4.709 5 1 JJBF O=C([C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 66139804 FOXGQXZERCDEII-JOCHJYFZSA-N 477.392 4.605 5 1 JJBF O=C1CSC(N2N=C(c3cccc([N+](=O)[O-])c3)C[C@H]2c2cc3cc(F)ccc3nc2Cl)=N1 95574319 IIVMLFOLWVMQJO-SFHVURJKSA-N 469.885 4.716 5 1 JJBF COc1ccc2cc3n(cc-2c1=NCCc1ccc([N+](=O)[O-])cc1)CCc1cc2c(cc1-3)OCO2 377841250 RNYPFNPXZQOOJY-UHFFFAOYSA-N 469.497 4.605 5 1 JJBF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587041421 BTCQFIFZZYMTPE-LBPRGKRZSA-N 453.705 4.543 5 1 JJBF O=C([C@H]1Cc2ccccc2[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)n3ccccc23)N1)C(F)(F)F 962762522 JJPPMHVUMLIIAQ-QUCCMNQESA-N 466.419 4.645 5 1 JJBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 82214878 JXAUOCRWZJKBRE-FCGDIQPGSA-N 451.571 4.652 5 1 JJBF O=C(Nc1ccc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1)c1ccc(Br)o1 587006767 BIKBITKYARWFFO-UHFFFAOYSA-N 459.231 4.809 5 1 JJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc([N+](=O)[O-])cn2ccnc12 587574085 ALWKAQBCTZSKIP-WNCULLNHSA-N 479.448 4.854 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc([N+](=O)[O-])c[nH]2)(C(Cl)(Cl)Cl)N1 587688311 LFDIKGLPQLODFF-UOWDBTKRSA-N 471.541 4.973 5 1 JJBF CC(C)(C)OC(=O)N1[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2scnc2C[C@@H]1C(=O)O 963134627 BATQAQVADMUUCI-QAPCUYQASA-N 471.491 4.647 5 1 JJBF Cc1cccc([C@@H]2[C@H]([N+](=O)[O-])[C@@H](Cc3cnc[nH]3)N[C@]23c2ccccc2-c2nc4ccccc4nc23)c1 1911571024 FXEUHDCDRKHKGM-GCMXZSHTSA-N 488.551 4.529 5 1 JJBF O=C(O)c1cc2[nH]c(-c3cnc(Cl)nc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587086204 XFEWIFVNEJPYJQ-UHFFFAOYSA-N 484.855 4.955 5 1 JJBF CCOC(=O)CCCCC[C@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962729310 HUOPWIAGOHCNSX-XUZZJYLKSA-N 492.494 4.998 5 1 JJBF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149505 FZXXRTSAWICWQT-IRXDYDNUSA-N 489.532 4.511 5 1 JJBF CCCCNC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 82214809 RIEQTDKRZUKLNQ-UHFFFAOYSA-N 453.930 4.890 5 1 JJBF COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577937 UWUGYOGWLQEBRZ-WIOPSUGQSA-N 458.426 4.803 5 1 JJBF O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2cc3ccccc3cc12 1857557048 OJDONAKWVIGRFT-UHFFFAOYSA-N 469.444 4.854 5 1 JJBF CC[N+](C)(CC)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N+](C)(CC)CC)ccc1-2 13557223 WIXVNGMWKSPWBJ-UHFFFAOYSA-P 494.680 4.528 5 1 JJBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)c(Cl)c3)cc1)C2 45283674 KUQIPPQJWHFFFR-HNNXBMFYSA-N 469.803 4.988 5 1 JJBF C[C@]1(c2ccc(Br)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542434 XUIFVUKOKARWAW-GHTZIAJQSA-N 456.248 4.940 5 1 JJBF C[C@](O)(CSc1ccccc1OC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857602253 QYGXWJVCHFRKKM-INIZCTEOSA-N 484.374 4.994 5 1 JJBF COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3Br)CC(=O)N2Cc2cccnc2)cc1 13521565 SGISYNKRKGFZQU-ZTCOLXNVSA-N 496.361 4.755 5 1 JJBF C[C@@](C(=O)O[C@H]1C[N+]2(CCOCc3ccccc3)CCC1CC2)(c1ccccc1)N1CCCCC1 73167188 DVXMXOBIXWVEAN-GFDKVKMOSA-N 477.669 4.757 5 1 JJBF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82214775 XCSYBFHQBRRBFB-WYADAEROSA-N 451.571 4.843 5 1 JJBF O=C(N[C@H](c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccccc1 587219166 MTKGCRVYSGXQNJ-GOSISDBHSA-N 451.280 4.753 5 1 JJBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1 587270901 SYHLVNHXLAACGZ-UHFFFAOYSA-N 452.474 4.587 5 1 JJBF COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334399 JIYAWZBPCAWIHL-NOZRDPDXSA-N 480.448 4.595 5 1 JJBF C[C@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548314 PMSXUNIIVWSRTB-NZQKXSOJSA-N 468.849 4.703 5 1 JJBF C[C@@H](NC(=O)[C@@H]1C[C@]1(C)COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc2ccccc12 5922613 QRKRSUULSMVREG-NBCYMOSYSA-N 477.473 4.717 5 1 JJBF COc1cccc2c(-c3ccc(C(=O)NCCN(C)C)cc3)c3[nH]c4c(OC)cccc4c3nc12 71296821 MOVIGIKVZNZDAB-UHFFFAOYSA-N 468.557 4.845 5 1 JJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 586949455 WTUUZDSTLHCKDK-UHFFFAOYSA-N 478.317 4.949 5 1 JJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)nc1C(F)(F)F 587117930 HSANDYFPSJPBQV-UHFFFAOYSA-N 467.205 4.559 5 1 JJBF CCOC(=O)C[C@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420978 KALSSMFYYKXEOM-LRTDBIEQSA-N 466.273 4.506 5 1 JJBF COc1cc([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3Cl)CC(=O)N2Cc2ccccc2)ccc1O 653740418 BKHMBJSXCAEUAY-OWAUWMPXSA-N 466.921 4.957 5 1 JJBF CCOc1cc(NC(=O)CCCCCNC(=O)CCCc2ccccc2)cc2c1OCC([N+](=O)[O-])=C2 1772650551 NXXWLOSLJYEFFF-UHFFFAOYSA-N 495.576 4.733 5 1 JJBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC(F)F 587556317 OABQPNQSYRFGTB-WIYYLYMNSA-N 459.357 4.613 5 1 JJBF CCC[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 653729550 BEIQSAXXWHREFS-MRXNPFEDSA-N 485.996 4.624 5 1 JJBF Cc1cccc(CNc2ccc([C@@H](CC(N)=O)NC(=O)Cc3cccc4ccccc34)cc2[N+](=O)[O-])c1 13878870 DMXWATZDMKRBBW-AREMUKBSSA-N 496.567 4.944 5 3 JJBF CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 775856 ROFXJECVQRYRDJ-UHFFFAOYSA-N 497.548 4.936 5 1 JJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587054803 LWLTUUVYLFLOIB-OAHLLOKOSA-N 495.717 4.712 5 1 JJBF CN[C@H](c1cccnc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587223680 PFNCWNVRHSHHFB-AREMUKBSSA-N 492.491 4.549 5 1 JJBF COc1cc([N+](=O)[O-])c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587329758 AOCVMJLZGPPFKE-LADGPHEKSA-N 453.422 4.731 5 1 JJBF CC1CCN(c2ccc([N+](=O)[O-])c([C@]3(C)N[C@@H](C(=O)O)Cc4c(C(F)(F)F)cc(F)cc43)c2)CC1 962701824 KQDBWHYRWSWGSF-NFBKMPQASA-N 495.473 4.851 5 1 JJBF COC(=O)c1ccccc1Oc1ccc([C@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1[N+](=O)[O-] 963613173 UDYFRRSPDYFWOA-SGANQWHYSA-N 478.501 4.815 5 1 JJBF O=C(NCc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 773743 VDHHWOYRJXALJX-UHFFFAOYSA-N 461.405 4.715 5 1 JJBF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cc([N+](=O)[O-])c(C)cc3[nH]1)C(=O)OC2 586915227 JJEKMHSNEACURE-XGICHPGQSA-N 451.479 4.594 5 1 JJBF CC(=O)N(C1CCCCC1)[C@@H](C(=O)Nc1c(C)cccc1C)C(=O)c1cccc([N+](=O)[O-])c1 205862912 JZBGHJFEWUCSMV-HSZRJFAPSA-N 451.523 4.583 5 3 JJBF Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cccc([N+](=O)[O-])c5[nH]4)c3n2)cnn1C 587129306 HXOYUAQRJLIIDN-UHFFFAOYSA-N 478.463 4.788 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N)c([N+](=O)[O-])c2)N1 587749139 XLQGCXQQZYMHKA-DMZKTXOQSA-N 456.315 4.905 5 1 JJBF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1c(F)cc([N+](=O)[O-])cc1F 963841054 GHRVVBYSAGSOMP-SPLOXXLWSA-N 462.449 4.907 5 1 JJBF COc1cc2oc3cc(OC)c(OC)c(/C=C\C(C)(C)O)c3c(=O)c2c(O)c1CC=C(C)C 95913676 SPRXFHBMQQEVDG-KHPPLWFESA-N 454.519 4.970 5 1 JJBF biogenic,in-vitro CC(C)COc1cc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCc2ccccn2)c1 299851984 LRCZSAWAKBTGFO-UHFFFAOYSA-N 465.462 4.554 5 1 JJBF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cc(C)ccc4[N+](=O)[O-])c1)[C@@H](C2)C3=O 587431780 GMGGIXAUEUPWKR-SIBVEZHUSA-N 461.470 4.988 5 1 JJBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc([N+](=O)[O-])c2C(=O)c2cccc([N+](=O)[O-])c21 587471478 RKQSWJYGCRMNJS-RUZDIDTESA-N 474.425 4.615 5 1 JJBF COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587747436 NTRMVRCCOLCNHC-QKVFXAPYSA-N 460.303 4.919 5 1 JJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cnc(C(F)(F)F)cc4[nH]3)cc2)nc1C(F)(F)F 587118839 QIOCGBINDBMXQK-UHFFFAOYSA-N 456.306 4.816 5 1 JJBF CC[C@H](C)n1ncc(I)c1-c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 587180972 KKPLXUZAZRMMJB-ZETCQYMHSA-N 490.099 4.673 5 1 JJBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 963170387 ADVBEDAQXDGHIH-IAQYHMDHSA-N 497.626 4.857 5 1 JJBF CCCCN(CCCC)c1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 13560026 FYMAZDOJZUMVIY-UHFFFAOYSA-N 450.517 4.710 5 1 JJBF COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OC(=O)c1ccccc1 96937409 DGBODHKYTLXHBA-UHFFFAOYSA-N 450.470 4.946 5 1 JJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c12 587154000 ISDDAAFJAZQNBE-UHFFFAOYSA-N 491.298 4.841 5 1 JJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(I)ccc3F)[nH]c12 587182993 UAZXTZQCRBYIJL-UHFFFAOYSA-N 462.016 4.644 5 1 JJBF CCCCNC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 82148059 BVHVBBXXYQESDG-UHFFFAOYSA-N 453.930 4.890 5 1 JJBF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 586945395 HKWYHOUDLFICEU-UHFFFAOYSA-N 477.596 4.928 5 1 JJBF O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(O)ccc([N+](=O)[O-])c21 587343018 QZAPCODMUOOURC-RBJSKKJNSA-N 497.434 4.992 5 1 JJBF NS(=O)(=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 587038422 SUGPMQIAVYNZMZ-UHFFFAOYSA-N 483.556 4.546 5 1 JJBF FC(F)(F)c1nn(CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1Br 587117946 HVDCNBFRLXKECK-UHFFFAOYSA-N 461.245 4.880 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587577826 PHMWSEMVHDLOMH-RDGATRHJSA-N 473.441 4.545 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12 587753324 VAXVZGWFROIKLE-SFDCACGMSA-N 467.294 4.867 5 1 JJBF COc1ccc(NC(=O)C2CCN(C(=O)[C@H](C)c3ccc(CC(C)C)cc3)CC2)c([N+](=O)[O-])c1 653759950 KKEWVQGGOXZNCE-GOSISDBHSA-N 467.566 4.783 5 1 JJBF CC[C@@H](C)NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 82135878 FGXMJNCMKBNHBD-OAHLLOKOSA-N 453.930 4.888 5 1 JJBF COC(=O)c1cc(Cl)c2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2c1 587118892 QYXHPSZZPFXALN-UHFFFAOYSA-N 479.802 4.842 5 1 JJBF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 587269038 ICGACJSEMVKSGK-UHFFFAOYSA-N 493.545 4.548 5 1 JJBF CCOC(=O)C1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])CC1 587510286 KFNJYGODUYBJOW-VWLOTQADSA-N 478.545 4.960 5 1 JJBF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NCCNc3ccc([N+](=O)[O-])cn3)CC[C@H]12 150338563 KYMJWJCKOMPUHJ-HIILVWPSSA-N 450.583 4.925 5 1 JJBF aggregator COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4ccc([N+](=O)[O-])cc14)[C@@H](C2)C3=O 587434082 QWEJBMNLYWTESU-AOMKIAJQSA-N 450.447 4.830 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Oc3nn(C)cc3[N+](=O)[O-])c2)N1 587750797 JNUAVJGKDLUCRC-NSPYISDASA-N 461.291 4.646 5 1 JJBF COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c1)[C@@H](C2)C3=O 587432428 KBBXFFMNCUHIDS-RXFWQSSRSA-N 458.470 4.827 5 1 JJBF CC(C)(C)OC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 13559490 AEFNXEWLLIOJLL-NRFANRHFSA-N 499.442 4.729 5 1 JJBF NC(=O)c1cc(N2CCC(c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587263101 LONURCJPIGUUQZ-UHFFFAOYSA-N 467.835 4.626 5 1 JJBF COc1ccc2c(c1OC)[C@@H](c1ccc(-c3ccc(C(=O)O)cc3)cc1[N+](=O)[O-])N(C)[C@@H](C)C2 962623851 LBGFIGYJFCNUEG-IZHWHUGBSA-N 462.502 4.943 5 1 JJBF C[C@@](O)(CSc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857580818 DTOAUENSISGDTB-MRXNPFEDSA-N 484.374 4.994 5 1 JJBF O=C1c2ccccc2[C@@](OC/C=C/CO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 117265281 ZSXCWVPXSODIRG-MQRYDUTKSA-N 464.905 4.670 5 1 JJBF Cn1cc([N+](=O)[O-])c(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587576238 NPMMQIZNPXKOJW-NFBKMPQASA-N 459.414 4.529 5 1 JJBF COc1cc2c(=Nc3ccc(O)cc3)c([N+](=O)[O-])c[nH]c2cc1OCCCN(C)Cc1ccccc1 1857541887 LYMCCDYMEGYDCC-UHFFFAOYSA-N 488.544 4.924 5 1 JJBF COc1ccccc1CNC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 775980 GUCLIXSKZJUWIZ-UHFFFAOYSA-N 469.494 4.503 5 1 JJBF O=C(OCCC1CCCCC1)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085450 KMBUAOUFEZXARF-HXUWFJFHSA-N 457.552 4.837 5 1 JJBF O=C(NCCc1cccc(F)c1)c1cnc(NC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82149428 RIKPYRHXPWWHDV-UHFFFAOYSA-N 463.513 4.908 5 1 JJBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587264511 NBJKBDFVPVKALF-UOWDBTKRSA-N 493.320 4.951 5 1 JJBF CS(=O)(=O)Nc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1Oc1ccccc1 43061424 CLWTVOFOQCFSRS-UHFFFAOYSA-N 458.521 4.568 5 1 JJBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCC[C@H](C)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 169723580 OQSUXEGRTNTNEG-XTZPKPCCSA-N 464.518 4.953 5 1 JJBF COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@H]3CCCC[N+]13[O-])OC(=O)CCc1ccc(O)c-2c1 238768048 XRYMTQDIRHRXRS-SLXXSRGGSA-N 453.535 4.636 5 1 JJBF CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccoc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@+]1(C)CC1CC1)[C@H]2O5 473183379 VTGIBPDRGIZMNY-TYCLRHCUSA-O 492.636 4.571 5 1 JJBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587159237 NULKPLZCFXFJPW-UHFFFAOYSA-N 450.142 4.850 5 1 JJBF Cc1c([N+](=O)[O-])cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1[N+](=O)[O-] 587743213 CNWGUSMNRUPTAW-ZRNGKTOUSA-N 452.280 4.819 5 1 JJBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1C[C@@H](c1cccc(Br)c1)N(C)C 587939231 JHNULTUSNASWCO-KSSFIOAISA-N 454.365 4.689 5 1 JJBF CCOC(=O)C1=C(c2ccccc2)Oc2nc3c(c(N)c2[C@@H]1c1ccc([N+](=O)[O-])cc1)CCCC3 1772609322 FFTZJCPQMCPFSQ-NRFANRHFSA-N 471.513 4.950 5 1 JJBF COc1cc2c(cc1OCCCCO)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 29125334 HMVUIVBJUIHLPF-UHFFFAOYSA-N 479.489 4.740 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587264864 URGDQYTZQIFHSO-CYBMUJFWSA-N 457.446 4.919 5 1 JJBF CCOC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H]1c1ccccc1 103277067 VGTPYWFPZMWGMC-FQEVSTJZSA-N 473.938 4.702 5 1 JJBF Cc1ccc(CNC(=O)c2ccc(N3CCC4(CC3)CC(c3ccccc3)=NO4)c([N+](=O)[O-])c2)cc1 15935492 ABZRCDHORALPNI-UHFFFAOYSA-N 484.556 4.997 5 3 JJBF COCOC(=O)Cc1cccc2c(=O)c([N+](=O)[O-])c(-c3ccccc3OCc3ccccc3)oc12 13526456 URDMEYJCONGETP-UHFFFAOYSA-N 475.453 4.637 5 1 JJBF O=C1CSC(N2N=C(c3ccccc3[N+](=O)[O-])C[C@H]2c2cc3cc(F)ccc3nc2Cl)=N1 95571989 SCVMHKVJMLBRMM-SFHVURJKSA-N 469.885 4.716 5 1 JJBF O=C([C@@H]1Cc2ccccc2[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)n3ccccc23)N1)C(F)(F)F 962762519 JJPPMHVUMLIIAQ-AZUAARDMSA-N 466.419 4.645 5 1 JJBF Cc1sc2c(c1C)CCN[C@]21CCCC(=O)[C@@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 963012917 ROGLHPKSVGOZNG-NQIIRXRSSA-N 466.481 4.885 5 1 JJBF CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 587142385 XWJPWMLSJMSBDC-GUYCJALGSA-N 477.880 4.788 5 1 JJBF Ic1cnc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cn12 587188952 YYULZHBHUHYKKR-UHFFFAOYSA-N 462.254 4.579 5 1 JJBF Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4037907 SWEQKFKMBGIFQC-UNMCSNQZSA-N 485.327 4.892 5 1 JJBF CN1CCC[C@@H]1CCNC(=O)CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3 26728358 WSXYBDKZFNJOTP-GOSISDBHSA-N 493.611 4.663 5 1 JJBF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1cccc(Cl)c1 587072050 SLDFTDKUJFOYDF-CYBMUJFWSA-N 461.862 4.841 5 1 JJBF O=C(c1ccccc1)c1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1 587269203 IJAMRJDQKBRQEW-UHFFFAOYSA-N 454.486 4.722 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 587751985 PFHYCDLZEGLWAT-SFDCACGMSA-N 467.294 4.867 5 1 JJBF CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3cccc(Cl)c3Cl)c([N+](=O)[O-])c2)CC1 13470549 LNUHEJIWTOBAQF-SOFGYWHQSA-N 480.373 4.757 5 1 JJBF Cc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4[N+](=O)[O-])=NN3C3=NC(=O)CS3)cc2c1 98085528 IYUJAMOOKHNGED-LJQANCHMSA-N 465.922 4.885 5 1 JJBF CCCc1c(C(F)(F)F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587618977 ADIWDPLXNQKRDZ-UHFFFAOYSA-N 457.430 4.857 5 1 JJBF COc1ccc(OC(C)(C)[C@@H]2OC[C@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 27748218 WPGZXQCLJIYEMI-ZGVLTOMGSA-N 486.521 4.697 5 1 JJBF O=C1N[C@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc([N+](=O)[O-])cc1 82158301 CEFDICGJZNUGAH-IDISGSTGSA-N 480.480 4.705 5 1 JJBF COCCNc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1[N+](=O)[O-] 587262582 YGFKEXGKWJHBBT-UHFFFAOYSA-N 470.121 4.721 5 1 JJBF O=C(c1coc2ccc(Cl)cc12)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 587278800 LGMQOUQXDIOQAL-NRFANRHFSA-N 484.917 4.767 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)N1 587748980 CLWZSQJVTAYPIW-FATZIPQQSA-N 481.325 4.970 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 587752033 PRVZIURKICPWIK-JBEBIEQOSA-N 496.336 4.821 5 1 JJBF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o3)c3cccc1c32 963021413 GXPJCPGOHUHRGU-JCQPUDPBSA-N 453.882 4.563 5 1 JJBF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4208379 VATCJNHYEHVFRY-ZGJUZXCWSA-N 480.348 4.517 5 1 JJBF O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccc(Br)cc3c2=O)cc1 58575399 ASHQLYIIPSCOCR-NYYWCZLTSA-N 492.285 4.925 5 1 JJBF COc1cc(CN2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 473154221 FKKBMPFFKIMKQY-UHFFFAOYSA-N 452.850 4.632 5 1 JJBF O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2ccc(Br)cc2)c1O 587937662 UVJPWIOANPINAY-UHFFFAOYSA-N 454.074 4.989 5 1 JJBF COc1ccc(Nc2cc(NC(=O)/C=C/c3ccc(F)cc3Br)ncn2)c([N+](=O)[O-])c1 1857769870 LTYCRDBMIQYEJD-XVNBXDOJSA-N 488.273 4.691 5 1 JJBF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82135728 FOLKZYAMEGNVGV-QZTJIDSGSA-N 477.540 4.646 5 1 JJBF CC(C)Oc1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cc1Br 586927216 UIKSBTJAFJYDFZ-UHFFFAOYSA-N 488.747 4.745 5 1 JJBF O=[N+]([O-])c1ccc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c([N+](=O)[O-])c1 587264506 MZRKQUHJTDMVBB-UHFFFAOYSA-N 461.150 4.631 5 1 JJBF COC(=O)c1cc(-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)c(Cl)cc1Br 587937867 ZRWQOERJUVJHPH-UHFFFAOYSA-N 467.659 4.666 5 1 JJBF COc1ccc2c(c1OC)[C@@H](c1cccc([N+](=O)[O-])c1Cl)N(C(=O)c1ccccc1N)CC2 963144408 SDPSAIHRBFNIEM-JOCHJYFZSA-N 467.909 4.636 5 1 JJBF COc1c([N+](=O)[O-])ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(F)F 587552576 ASIPTIGTGDWHHT-VQIMIIECSA-N 459.357 4.613 5 1 JJBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Cl 586957827 FIPYTAKKIXDZDK-GMVOTWDCSA-N 460.943 4.819 5 1 JJBF Cc1cccc([C@@H]2[C@H]([N+](=O)[O-])[C@@H](Cc3cnc[nH]3)N[C@@]23c2ccccc2-c2nc4ccccc4nc23)c1 1911571027 FXEUHDCDRKHKGM-VSUKXTEZSA-N 488.551 4.529 5 1 JJBF CCCCCCOc1cccc(OCCCCCC(=O)NC2(CC(=O)O)CC[N+](C)(C)CC2)c1 3826586 GLNVCRNZAUDHAK-UHFFFAOYSA-O 477.666 4.785 5 1 JJBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C(=O)Oc3ccccc3)CC2)cc1 103245444 NRZWUCNQFOYRBL-OVCLIPMQSA-N 472.501 4.568 5 1 JJBF COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(OC)cc([N+](=O)[O-])c5OC)[nH]c4c3)o2)cc1 587261208 YSMBDIBVWBJWPT-UHFFFAOYSA-N 473.445 4.881 5 1 JJBF CCC(CC)Nc1ccc([C@@H](CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] 15936219 WGMMQVSUTZGMCC-HSZRJFAPSA-N 462.550 4.624 5 3 JJBF CC(C)CCNC(=O)c1ccc(CNC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 1862854 SPIIAAPSHZTYFB-WYMLVPIESA-N 461.518 4.960 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc([N+](=O)[O-])cn2C)(C(Cl)(Cl)Cl)N1 587679748 GSRRGJBXIJNCLA-AYVTZFPOSA-N 485.568 4.983 5 1 JJBF CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 587697555 WPKHYEGXRUAMAK-GIPWTMENSA-N 485.737 4.881 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2nn(C)cc2[N+](=O)[O-])N1 587754436 YPWPUWFIMKKYQP-NSPYISDASA-N 461.291 4.646 5 1 JJBF CC(=O)c1ccc(OC(C)(C)[C@@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 27748704 DKANVOYVQMYLKY-XRNSXHLPSA-N 498.532 4.891 5 1 JJBF O=C(OCCC1CCCCC1)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085562 CRCLMNYMOGGBGA-FQEVSTJZSA-N 457.552 4.837 5 1 JJBF COc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587744299 CYGLTECTYYSUHK-QKVFXAPYSA-N 460.303 4.919 5 1 JJBF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2coc(-c3ccc([N+](=O)[O-])cc3)n2)N1 963190070 NUHNXFQFLSBLTB-SUMWQHHRSA-N 467.787 4.610 5 1 JJBF COc1cc2c(OCCCn3ccnc3)nc3c4cc5c(cc4ccc3c2cc1OC)OCO5 1857628855 MWVSQDMLZZQWOD-UHFFFAOYSA-N 457.486 4.953 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(Br)cnc(Cl)c2[nH]1 587261965 FLZBTGFECJCDGZ-QMMMGPOBSA-N 469.679 4.633 5 1 JJBF CCOC(=O)C[C@]1(c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341634 ZFXORGQMGUSRTR-ILBGXUMGSA-N 465.433 4.647 5 1 JJBF Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576121 MOROBHPZJLFGIQ-OZXSUGGESA-N 454.438 4.788 5 1 JJBF Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)o1 587277066 YEPDAQVPALSUSK-UHFFFAOYSA-N 457.236 4.790 5 1 JJBF C[C@H](CCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)CC(=O)O 587962943 LIISITQLDGAZPA-CYBMUJFWSA-N 486.480 4.888 5 1 JJBF COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)N[C@@H](C)C(C)C)cc1 774333 JSQSSVBIFCTJEB-AWEZNQCLSA-N 469.494 4.717 5 1 JJBF CC(C)(C)c1cc(C(=O)Cn2c(NCCCO)nc3ccc([N+](=O)[O-])cc32)cc(C(C)(C)C)c1O 53229348 ZTYGXGANQAEXEB-UHFFFAOYSA-N 482.581 4.922 5 1 JJBF CCOc1ccc(CCNc2ncc(C(=O)N[C@@H](C)CC)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 82135858 SNEKVSHONBSVRB-KRWDZBQOSA-N 493.564 4.642 5 1 JJBF C[C@@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 26163067 QHNMWCWNYWVMDS-NFBKMPQASA-N 489.597 4.988 5 1 JJBF CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 40874093 OZZXZQHWEXYLEZ-UHFFFAOYSA-N 484.600 4.768 5 1 JJBF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCn1c([N+](=O)[O-])cnc1C 299821012 JFJFWDRBLCGADI-UHFFFAOYSA-N 472.864 4.667 5 1 JJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587054879 MREVWXQPDMSPTO-AWEZNQCLSA-N 496.705 4.922 5 1 JJBF CCN(CC)c1ccc(-c2nn(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c(=O)c3ccccc23)c(O)c1 587666994 FJDMTKUKAMNMBM-UHFFFAOYSA-N 498.495 4.958 5 1 JJBF Cc1ccc(OC(C)(C)[C@@H]2OC[C@H](C/C=C\CCC(=O)O)[C@H](c3cccnc3)O2)c([N+](=O)[O-])c1 13740480 VGBBXLWOWUXXFE-PMPBWVOASA-N 470.522 4.997 5 1 JJBF CCCCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084619 SXZQSLPUEPTXHH-IBGZPJMESA-N 498.630 4.666 5 1 JJBF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587043782 VBHLYFSDKNQSTR-ZDUSSCGKSA-N 453.705 4.543 5 1 JJBF COCCNc1ccc(-c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)cc1[N+](=O)[O-] 587264125 BACBJFAKXABVNX-UHFFFAOYSA-N 462.462 4.775 5 1 JJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 586921181 FDLLQASKDORAEN-UHFFFAOYSA-N 472.320 4.875 5 1 JJBF C[C@@]1(CC(=O)OCc2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340482 HVXPRIHEBQAUDD-NOZRDPDXSA-N 465.433 4.691 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 587754413 YLULZSQJPUXYPG-BSNNYGBQSA-N 483.293 4.573 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccn(C(C)C)n3)c2c1 587620768 GUSSGPJAUMXWML-UHFFFAOYSA-N 469.523 4.638 5 1 JJBF CCOc1ccc(-c2nn(C(=O)Cc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC 587668374 ATBHFDVBXGTIAW-UHFFFAOYSA-N 473.485 4.652 5 1 JJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 587865961 QYNJRIDGUNUIDA-UHFFFAOYSA-N 485.422 4.809 5 1 JJBF O=[N+]([O-])c1ccc(Br)c(Nc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])n1 103280641 MAOOQIPOBKNZST-UHFFFAOYSA-N 486.544 4.985 5 1 JJBF COc1cc(OCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)ccc1[N+](=O)[O-] 587261986 KYQKFYGWAPFYBK-UHFFFAOYSA-N 488.909 4.513 5 1 JJBF COc1c(OC(F)F)ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1[N+](=O)[O-] 587552557 AMOXOVYIFYSZEO-JXFKEZNVSA-N 459.357 4.613 5 1 JJBF O=C(c1ccc(I)cc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645528 BXFURPLMWAXRQH-UHFFFAOYSA-N 460.149 4.931 5 1 JJBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215926 LURFVRBJUISGIF-WUMKDDEVSA-N 487.984 4.982 5 1 JJBF CCOC(=O)CCC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587643641 HVRYUNQRQGFXBX-UHFFFAOYSA-N 459.296 4.961 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587750505 IGHKNRSTTQWSKM-QKVFXAPYSA-N 475.318 4.661 5 1 JJBF CCCCNC[C@@H](O)COc1cc(OCc2ccc(OC)cc2)c2c(=O)c3ccccc3oc2c1 1772633605 FICBVEYTZGMQBF-HXUWFJFHSA-N 477.557 4.663 5 1 JJBF O=C(NCCOc1ccccc1)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 2482510 YOAAGWAKKLRLFU-UHFFFAOYSA-N 491.431 4.593 5 1 JJBF COc1ccc([C@@H]2[C@H](c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 71318774 MPRAOXXNXNHHOL-LEWJYISDSA-N 470.503 4.562 5 1 JJBF COc1ccc([C@@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 73168565 AYIWJIOYWAXMMD-PXDATVDWSA-N 488.500 4.786 5 1 JJBF Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccccc2[N+](=O)[O-])cc1Cl 103212346 ASXKJJSOVLKZLX-FQEVSTJZSA-N 487.969 4.629 5 1 JJBF COCCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-c1cccc(F)c1 587619212 CBUOUVFFRBQJLB-UHFFFAOYSA-N 499.520 4.881 5 1 JJBF COc1c(OC(F)F)ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] 587720197 SDPCJKIEQYALNO-GLEZIHRCSA-N 461.234 4.730 5 1 JJBF O=C(Nc1cccc(O)c1)c1ccc(OCCCN2CCCC2)cc1OCc1cccc([N+](=O)[O-])c1 72181259 BPZGEHDTVKMFBF-UHFFFAOYSA-N 491.544 4.996 5 1 JJBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149765 XHOYDPCEXVMRQI-QGFMHUBQSA-N 451.571 4.652 5 1 JJBF Cc1ccc2nc(Cl)c([C@@H]3CC(c4ccc([N+](=O)[O-])cc4)=NN3C3=NC(=O)CS3)cc2c1 98085531 GKWDCSUNYFFLSR-IBGZPJMESA-N 465.922 4.885 5 1 JJBF Cc1ccc2nc(Cl)c([C@H]3CC(c4ccc([N+](=O)[O-])cc4)=NN3C3=NC(=O)CS3)cc2c1 98085532 GKWDCSUNYFFLSR-LJQANCHMSA-N 465.922 4.885 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 587751984 PFHYCDLZEGLWAT-MYODQAERSA-N 467.294 4.867 5 1 JJBF C[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963172847 DOVQDRHXFXTFPS-PKOBYXMFSA-N 453.804 4.611 5 1 JJBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCOc1ccccc1 4215358 YSGRIKWGKDQXLY-BJKOFHAPSA-N 483.521 4.533 5 1 JJBF C[N+]1(CCCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 34802173 IWVCFEIBBOTGAN-PSPFREQMSA-O 456.610 4.643 5 1 JJBF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCC1CCCCC1 82082719 NPSFJVOCBBONSR-HXUWFJFHSA-N 459.568 4.986 5 1 JJBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587946869 ZNNPPVBIMFZBTF-IBGZPJMESA-N 454.458 4.640 5 1 JJBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC 4050801 ZFNRRFDEXZQKCG-RKPBBICVSA-N 493.491 4.720 5 1 JJBF CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@H]1c1cccc(Cl)c1Cl 1772577132 UEGSGOGMURBTEH-QGZVFWFLSA-N 481.339 4.930 5 1 JJBF COc1cc([C@H]2c3cc4c(cc3CCN2c2ccc([N+](=O)[O-])cc2)OCCO4)cc(OC)c1OC 1857746129 WGEAGOOAHYLKSX-VWLOTQADSA-N 478.501 4.544 5 1 JJBF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC(F)F 587712464 AZQZXKBYEYNYIU-QPFGOUBPSA-N 461.234 4.730 5 1 JJBF COc1cc(OC)c2c(=O)c(-c3ccc(OC)c(OCc4ccc([N+](=O)[O-])cc4)c3)coc2c1 1857648741 FSOITKNQYQNQDV-UHFFFAOYSA-N 463.442 4.973 5 1 JJBF O=C1c2cc(Br)ccc2[C@@](O)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 142808117 OQXXVQHFEGZTBV-NRFANRHFSA-N 473.710 4.860 5 1 JJBF CO[C@@H]1[C@H](N(C)C#N)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 206971859 KPHYDWCWSJOGAL-QNGCTEGKSA-N 491.551 4.547 5 1 JJBF CCc1cc(OCc2ccc3c(-c4nnn[nH]4)cc4ccccc4c(=O)c3c2)c2c(n1)CCCC2 13742168 SFABNWVQLDOCBF-UHFFFAOYSA-N 463.541 4.949 5 1 JJBF NC(=O)[C@@H]1CCCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82174581 ZPKKVWQBTJETNK-GOSISDBHSA-N 486.557 4.544 5 1 JJBF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 587272447 SPPINRZWYRBNGI-UHFFFAOYSA-N 466.519 4.961 5 1 JJBF O=C(OC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1)c1ccccc1I 1857553928 GZQAOYGYTNRRNP-UHFFFAOYSA-N 494.285 4.698 5 1 JJBF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586937258 LMLYGJAVXSRMNF-OAHLLOKOSA-N 487.763 4.563 5 1 JJBF COc1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261087 SLOPVPUAVNMICV-UHFFFAOYSA-N 457.078 4.680 5 1 JJBF CCc1c(-c2cccnc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587620714 FKZJMRMBEBYYAK-UHFFFAOYSA-N 452.492 4.510 5 1 JJBF COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])[C@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962638261 KWCLHCOAAGJULA-XMWFESMXSA-N 483.568 4.814 5 1 JJBF COc1cc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1 82163737 OUDAERABPIUSCD-UHFFFAOYSA-N 475.505 4.995 5 1 JJBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(SC(F)(F)F)cc2[nH]1 587265902 YAVAUZBTCSWTCJ-GLEZIHRCSA-N 457.390 4.525 5 1 JJBF COC(=O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423695 VKZAPSUOHFFNFN-CJAUYULYSA-N 479.872 4.735 5 1 JJBF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1ccc2c(=O)c3ccccc3oc2c1 1857772017 JTTBLUWJEWCREB-NRFANRHFSA-N 459.498 4.988 5 1 JJBF O=c1[nH]c2ccc(S(=O)(=O)NCC(c3ccccc3)c3ccccc3)cc2c2ccccc12 29413846 YBVDORDETBLWBN-UHFFFAOYSA-N 454.551 4.792 5 1 JJBF O=C(NCc1ccccc1C(F)(F)F)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134503 BKEACRFUEIEWEY-UHFFFAOYSA-N 471.439 4.601 5 1 JJBF COc1ccc(CCNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82135827 QTDDOSKCCKLUSA-RTBURBONSA-N 489.576 4.833 5 1 JJBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Br)cc(Cl)c3[nH]2)CC1 587269109 GJZWMUKOUGHMJV-UHFFFAOYSA-N 463.719 4.907 5 1 JJBF COc1cccc2c3c(cnc12)CCN[C@@]3(c1ccc([N+](=O)[O-])o1)c1c(C)c(C=O)c2ccccn12 963046504 JTEJAZLXRKJCGI-HHHXNRCGSA-N 482.496 4.556 5 1 JJBF COc1ccc(Cl)cc1NCC[C@@]1(c2ccc([N+](=O)[O-])cc2)NCCc2c(C(=O)O)cccc21 963121044 IPAMVEKAKHMWGG-VWLOTQADSA-N 481.936 4.847 5 1 JJBF CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 35833495 RXWATHJGGLVZOE-UHFFFAOYSA-N 457.961 4.578 5 1 JJBF Cc1ccc2nc(Cl)c([C@@H]3CC(c4cccc([N+](=O)[O-])c4)=NN3C3=NC(=O)CS3)cc2c1 98085529 CKDYEFYAOGAJQI-IBGZPJMESA-N 465.922 4.885 5 1 JJBF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2coc(-c3ccc([N+](=O)[O-])cc3)n2)N1 963190069 NUHNXFQFLSBLTB-GUYCJALGSA-N 467.787 4.610 5 1 JJBF CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 4036642 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4.506 5 1 JJBF CC(C)(CCCCOCCc1ccc([N+](=O)[O-])cc1)CNCCc1ccc(O)c2[nH]c(=O)sc12 13524235 KURHRGSFXFOQGG-UHFFFAOYSA-N 487.622 4.791 5 1 JJBF O=[N+]([O-])c1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 586956891 YQHQPKRMZQREDG-UHFFFAOYSA-N 454.895 4.543 5 1 JJBF C[C@@]1(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330962 CMWRVHNKBGEEDH-AHWVRZQESA-N 478.476 4.550 5 1 JJBF O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@](O)(CSc1ccccc1)C(F)(F)F 28022638 YPKTXZIHCJRSNJ-OAHLLOKOSA-N 454.348 4.638 5 1 JJBF O=[N+]([O-])[C@H]1[C@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@H]1c1ccccn1 40605939 PVCAQZRECZGBLR-NYVOZVTQSA-N 453.340 4.615 5 1 JJBF COc1ccc2c(c1OC)[C@@H](c1ccc3cccc([N+](=O)[O-])c3n1)N(C(=O)c1ccccc1N)CC2 963158068 MODYMHFAIGYIRB-RUZDIDTESA-N 484.512 4.530 5 1 JJBF COc1ccc(CCNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82135826 QTDDOSKCCKLUSA-OALUTQOASA-N 489.576 4.833 5 1 JJBF COc1cc(-c2ccc3c(c2)Nc2ccc(NC(=O)c4cn[nH]c4)cc2NC3=O)ccc1[N+](=O)[O-] 168129675 FDAUPIBSQZRSSF-UHFFFAOYSA-N 470.445 4.555 5 1 JJBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4nc(Br)ccc4[nH]3)cc2)nc1C(F)(F)F 587119495 XCBQXUJTXFBJBB-UHFFFAOYSA-N 467.205 4.559 5 1 JJBF C[C@]1(c2cc(Br)cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538163 CQRVJEUKXWFXEB-GHTZIAJQSA-N 456.248 4.940 5 1 JJBF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(F)F 587717240 KWSQGJQIPYXHPS-HOGDKLEQSA-N 475.261 4.773 5 1 JJBF O=C1OC[C@]2(O)Nc3c(c4cccnc4c4ncccc34)[C@@H](c3ccc(SC(F)(F)F)cc3)[C@@H]12 653687638 ONPNMJQOVDWDJS-WLENULPWSA-N 483.471 4.814 5 1 JJBF CCCCOc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962694890 BXKKXTQOHXFZLE-IEBWSBKVSA-N 456.392 4.620 5 1 JJBF O=C(NCCCN1CCCC1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4054979 MQVMYVVFYDFLHP-UNMCSNQZSA-N 491.375 4.596 5 1 JJBF CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCC1CCCCC1 82082509 BJPBFZKIQCNXGA-HXUWFJFHSA-N 459.568 4.986 5 1 JJBF CC(C)CN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 82216974 IXGDHUOPUGZMBO-REIYTJMXSA-N 465.598 4.945 5 1 JJBF COc1cccc(CN2CCN(CCCOc3ccc4c(c3)oc(=O)c3ccccc34)CC2)c1 221963239 KQHKJVQLBKLYNN-UHFFFAOYSA-N 458.558 4.542 5 1 JJBF CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)C[C@H]1c1ccccc1 299806530 WWMIANBTGGZJEJ-QFIPXVFZSA-N 487.556 4.998 5 1 JJBF O=[N+]([O-])c1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)nn1CC(F)(F)F 587092475 POEYSVQCAHTOJY-UHFFFAOYSA-N 458.116 4.678 5 1 JJBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)(F)F 587551002 XBJOTKOSPGEUPO-SIKLNZKXSA-N 491.374 4.953 5 1 JJBF COc1cc2c(cc1OC)[C@@H](c1ccc([N+](=O)[O-])c3cccnc13)N(C(=O)c1ccccc1N)CC2 963134711 BJFGHCXGSMBNIY-AREMUKBSSA-N 484.512 4.530 5 1 JJBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCC[C@H](C)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 49088497 HAAYACSSCTVICJ-FYSMJZIKSA-N 464.518 4.740 5 1 JJBF C[C@@]1(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330970 CMWRVHNKBGEEDH-RSXGOPAZSA-N 478.476 4.550 5 1 JJBF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](NCCNc3ccc([N+](=O)[O-])cn3)CC[C@H]12 299872411 KYMJWJCKOMPUHJ-YLLXKFEGSA-N 450.583 4.925 5 1 JJBF aggregator COc1ccc(-c2nnc(-c3ccc4nc(Cn5nc(C(F)(F)F)c([N+](=O)[O-])c5C)[nH]c4c3)o2)cc1 587118141 OAFXVSNDNIHNMG-UHFFFAOYSA-N 499.409 4.769 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(Cl)c(Br)cnc2[nH]1 587263329 LMZKZSJDHODQQB-QMMMGPOBSA-N 469.679 4.633 5 1 JJBF COC(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 587341256 YDNUYBIGJOVVDL-URXFXBBRSA-N 466.421 4.892 5 1 JJBF CCN(CC)c1ccc(-c2nn(C(=S)Nc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 587670053 MXSHVUZOOSTDLO-UHFFFAOYSA-N 489.557 4.769 5 1 JJBF O=C(O[C@H](Cn1ccnc1)c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1772657005 QSNSCHSBRJMBCN-OAQYLSRUSA-N 490.347 4.798 5 1 JJBF C[N@+]1(CCCOc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 261116517 IWVCFEIBBOTGAN-IEWVHIKDSA-O 456.610 4.643 5 1 JJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](CC)n1nc([N+](=O)[O-])cc1C 587865557 BEELKAMJQRNENN-INIZCTEOSA-N 451.405 4.672 5 1 JJBF C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C 82148291 VCYGBLVLCCDEMO-IIPCHUTBSA-N 463.582 4.843 5 1 JJBF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 586947457 ZFVKICDXZJRCOS-GOSISDBHSA-N 457.555 4.994 5 1 JJBF COC(=O)C(=Cc1cc(C=C(C(=O)OC)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 2356852357 VTYKXPQICUQLCM-UHFFFAOYSA-N 488.452 4.930 5 1 JJBF O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc2ccccc2c2ccccc12 72136337 GXCLXNQTXLNGOA-UHFFFAOYSA-N 464.569 4.703 5 1 JJBF COc1cc(Br)cc(C=O)c1OCc1nc2c3cccnc3c3ncccc3c2[nH]1 586980465 RNYAWEREWBWYIV-UHFFFAOYSA-N 463.291 4.822 5 1 JJBF COC(=O)c1cccc(Oc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])c1 587434030 PBUAETMWTTYRBQ-HOYKHHGWSA-N 461.426 4.671 5 1 JJBF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(I)c([N+](=O)[O-])c1)CC2=O 587470118 DKGQMRWXCSDQPR-MRXNPFEDSA-N 483.258 4.573 5 1 JJBF CC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3NCC3CCCCC3)CC2)c(F)c1 40975616 UIUSFVAELMLMOX-UHFFFAOYSA-N 482.556 4.891 5 1 JJBF COc1ccc(CCNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82149981 VOUNRMXCYMTQKE-RTBURBONSA-N 489.576 4.833 5 1 JJBF COc1cc(Nc2ncccc2-c2nnc(Nc3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC 169325173 OUIQUCXVAIVAAG-UHFFFAOYSA-N 464.438 4.553 5 1 JJBF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587041487 WAJYLUUUZUYPKF-LJQANCHMSA-N 455.543 4.946 5 1 JJBF CCOC(=O)C1=C(c2ccccc2)Oc2nc3c(c(N)c2[C@H]1c1ccc([N+](=O)[O-])cc1)CCCC3 1772609323 FFTZJCPQMCPFSQ-OAQYLSRUSA-N 471.513 4.950 5 1 JJBF COC(=O)c1ccc(Oc2ccc3nc(Cn4nc(C(F)(F)F)c([N+](=O)[O-])c4C)[nH]c3c2)cc1 587117729 KZFNUGLFUQYPJE-UHFFFAOYSA-N 475.383 4.622 5 1 JJBF Cc1nn(Cc2ccccc2-c2nc3c(Cl)c(Br)cnc3[nH]2)c(C)c1[N+](=O)[O-] 587264694 JRCDAZQYBSSWCZ-UHFFFAOYSA-N 461.707 4.811 5 1 JJBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccccc1OC 4275069 UMVQQDLMVWTSTE-LOSJGSFVSA-N 499.564 4.951 5 1 JJBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ncc(C(F)(F)F)cc3Cl)cc1)C2 66263200 RQTWIPLPUQBLIX-AWEZNQCLSA-N 454.792 4.503 5 1 JJBF CCN1CC[C@]2(CCCN(C3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)C2)C1=O 73140755 OCMDYJWGAQELTA-PMERELPUSA-N 469.629 4.932 5 1 JJBF Cc1ccc([C@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])CC(=O)c3cc(C)cc(N)c3O2)cc1 587388938 HVSDFRWPFKOIAF-MHZLTWQESA-N 468.513 4.948 5 1 JJBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1 587870481 AGLLSUAWOOWDLE-UHFFFAOYSA-N 469.860 4.583 5 1 JJBF CN1CCN(c2ccc(Nc3nc4c(-c5nc[nH]n5)cccc4c4cnccc34)c(Cl)c2)CC1 73166861 QOXRIMBHHVXCFG-UHFFFAOYSA-N 470.968 4.717 5 1 JJBF O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)c3c2C=Nc2nnc(Cc4ccccc4)n2N3)cc1 66102911 OHXKERBBSKCOJF-UHFFFAOYSA-N 462.473 4.569 5 1 JJBF CN(Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c3c(cccc13)C(=O)N2 13450175 PPDWKJHROGNHDT-UHFFFAOYSA-N 473.510 4.783 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)N1 587681600 QLJUXTIICJPPFV-YYSFKGJASA-N 470.136 4.983 5 1 JJBF Cc1nn(Cc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c(C)c1[N+](=O)[O-] 587749839 ZSJQVMCAXUFOHZ-DGIBIBHMSA-N 463.307 4.575 5 1 JJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)/C(=C\c1ccccc1[N+](=O)[O-])NC(C)=O 587860206 ODAAFXYZVWOCDM-VXLYETTFSA-N 489.315 4.981 5 1 JJBF COc1ccc2c(c1OC)[C@H](c1ccc(-c3ccc(C(=O)O)cc3)cc1[N+](=O)[O-])N(C)[C@H](C)C2 962623854 LBGFIGYJFCNUEG-MYYSRTQBSA-N 462.502 4.943 5 1 JJBF O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1ccccc1)c1cccs1 43022523 PMSLDIHTDBABLG-IZTJEQOUSA-N 478.634 4.605 5 1 JJBF O=c1c2c(O)cccc2oc2ccc(O)c(-c3c(O)ccc4oc5cccc(O)c5c(=O)c34)c12 238743451 NOYGKOJIZWLWMY-UHFFFAOYSA-N 454.390 4.695 5 1 JJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587055872 QZPWKSGMQMZIGT-INIZCTEOSA-N 452.254 4.813 5 1 JJBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148905 SULVGCWVDXVYNG-OALUTQOASA-N 451.571 4.939 5 1 JJBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587267698 PCWKTQXQHMENAQ-GFCCVEGCSA-N 458.400 4.856 5 1 JJBF COc1ccc2c(c[n+]3c4c2cc(Cc2ccncc2)c2c5c(cc(c24)CC3)OCO5)c1OC 1857538767 IHBUKRAUUKFGKD-UHFFFAOYSA-N 451.502 4.722 5 1 JJBF CCOC(=O)[C@@H]1CCCCN1C(=O)c1cc2ccc(OC)cc2c2cc(OC)c(OC)cc12 61948160 UVBQDLPEOOVHML-QFIPXVFZSA-N 451.519 4.577 5 3 JJBF COc1ccc([N+](=O)[O-])c([C@H]2c3cc(OC)c(OC)cc3CCN2CCOc2ccccc2)c1 40891837 XUURCLJGCPKDLG-AREMUKBSSA-N 464.518 4.647 5 1 JJBF O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)c3c2C=Nc2nnc(-c4ccc([N+](=O)[O-])cc4)n2N3)cc1 66102913 DZRNIEYZKDLEOV-UHFFFAOYSA-N 493.443 4.553 5 1 JJBF COc1ccc(OC)c(CCNc2ncc(-c3ncc(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)c1 82163730 QZRSDDFKNKAORC-UHFFFAOYSA-N 461.478 4.687 5 1 JJBF O=c1c(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc(Br)cn1Cc1ccccc1 587006423 JOMLXYCPLUGAAW-UHFFFAOYSA-N 459.687 4.764 5 1 JJBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(-c3ccc(Cl)cc3)c(C3CCOCC3)nn12 1857586683 BSEIHLXCCNOPGX-UHFFFAOYSA-N 450.882 4.812 5 1 JJBF COc1ccc2c(c1OC)[C@@](C)(c1ccc([N+](=O)[O-])cc1Cl)N(C(=O)c1ccccc1N)CC2 963147243 WREUGDOQMOBGKW-RUZDIDTESA-N 481.936 4.810 5 1 JJBF O=[N+]([O-])c1ccc(-n2cc(-c3cccc(Nc4ncnc5cc6c(cc45)OCCCO6)c3)nn2)cc1 1857586710 NCTOFYRQNSBENI-UHFFFAOYSA-N 481.472 4.691 5 1 JJBF Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)n1 13140329 MCIRLFAXLUNNCG-QEORTHHSSA-N 463.581 4.609 5 1 JJBF C[C@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c2c1 35079426 QBIPYNOGPAMZNY-LBPRGKRZSA-N 458.879 4.781 5 1 JJBF COC(=O)c1ccc(Oc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])c(OC)c1 587431789 GPHAPNBHOHFSRG-CRICUBBOSA-N 491.452 4.680 5 1 JJBF CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)NC(=O)N1 84632570 DZEVSOYTNRNDKJ-VWLOTQADSA-N 494.511 4.714 5 1 JJBF CC(C)C[C@]1(c2ccc([N+](=O)[O-])cc2)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963137096 HHEUJYRHYZXNQE-JTSKRJEESA-N 461.540 4.587 5 1 JJBF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)s2)N1 963233072 SYTBHSNQSBXYOW-CVDCTZTESA-N 465.918 4.749 5 1 JJBF Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)c1C(=O)NCCc1c[nH]c2ccccc12 95568138 RIKPMVDVTBSZOB-UHFFFAOYSA-N 493.523 4.857 5 3 JJBF Cn1ccc2ccc3c4[nH]c5c(CCN6CCCCC6)cccc5c4c4c(c3c21)C(=O)NC4=O 594541 GPNZOTCLQNMQIC-UHFFFAOYSA-N 450.542 4.878 5 1 JJBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135332 KQAKGEYOMBEYLW-RTBURBONSA-N 451.571 4.939 5 1 JJBF CCOc1cc2c(N3CCN(c4ccccc4[N+](=O)[O-])CC3)nc(-c3ccccc3)nc2cc1OC 96284483 NCAZRSMRZPBXMW-UHFFFAOYSA-N 485.544 4.939 5 1 JJBF O=c1scc(O)n1[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 169728525 CBFBXOSIDWPJDX-OAQYLSRUSA-N 463.515 4.839 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])N1 587700660 VJDPQGIPFPPRJW-GIGQVBGESA-N 470.726 4.928 5 1 JJBF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(F)F 587722470 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Cc1ccc(S(=O)(=O)N2CCC(c3nc4c5cccnc5c5ncccc5c4[nH]3)CC2)cc1 586954692 NJPMIYLUFUKMLS-UHFFFAOYSA-N 457.559 4.536 5 1 JJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(I)cc2[nH]1 587056058 SHTVZSLYQSCCLV-MRXNPFEDSA-N 498.708 4.856 5 1 JJBF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 587270566 VQRBYTAUZVEZCP-UHFFFAOYSA-N 493.405 4.990 5 1 JJBF Cc1c([N+](=O)[O-])cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1[N+](=O)[O-] 587574951 HHEHXRZPYSUSSG-WMZHIEFXSA-N 450.403 4.702 5 1 JJBF COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC2CCCC2)c([N+](=O)[O-])cc1OC 773383 ZGSGGLLUQOUNRW-UHFFFAOYSA-N 455.442 4.746 5 1 JJBF COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)N[C@H](C)C(C)C)cc1 774332 JSQSSVBIFCTJEB-CQSZACIVSA-N 469.494 4.717 5 1 JJBF C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@@H]1c1cccc([N+](=O)[O-])c1 103189581 SCQLIQIBCHUZKS-DYBLOJMWSA-N 490.752 4.628 5 1 JJBF NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2C2CCCCC2)cc1 473107731 JZBRPTOTCNQKNA-LNVKXUELSA-N 458.565 4.510 5 1 JJBF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)ccc2s1 587033793 BCTCCEBPVCDZBJ-UHFFFAOYSA-N 488.909 4.671 5 1 JJBF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OCC(F)F 587553599 FVVKQNWDHPZCBQ-NFBKMPQASA-N 473.384 4.656 5 1 JJBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1 653803664 MDDIQOVPASQTPR-UHFFFAOYSA-N 466.513 4.607 5 1 JJBF COc1cc([C@H]2COc3cc4ccc5c(O)cc(OC)c6c5c4c(c3[C@H]2O)CC6)cc(OC)c1O 2356732951 KWRBBGXCBMVVTQ-CLYVBNDRSA-N 474.509 4.738 5 1 JJBF O=[N+]([O-])c1cccc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@@H]2CCCCN2)c1 29415270 UHECQQOCZFEBTH-AWEZNQCLSA-N 472.885 4.988 5 1 JJBF C[C@@](C(=O)O[C@H]1C[N+]2(CCC3=C[C@@H]4CCO[C@@H]4C=C3)CCC1CC2)(c1ccccc1)N1CCCCC1 73161782 AIMRQTXCPBQWFD-HVDBZMNXSA-N 491.696 4.831 5 1 JJBF Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccc([N+](=O)[O-])cc2)cc1Cl 103212337 VDLDQEOPWCHLMQ-HXUWFJFHSA-N 487.969 4.629 5 1 JJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1N1CCN(c3ccccc3)CC1)O2 587389910 NQSIPLNVVBTIAG-VWLOTQADSA-N 458.518 4.519 5 1 JJBF NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 104397044 PLBPJLPIDAWWPE-RWAOCCGBSA-N 486.572 4.624 5 3 JJBF O=C1CSC(N2N=C(c3ccc([N+](=O)[O-])cc3)C[C@H]2c2cc3cc(F)ccc3nc2Cl)=N1 95575584 CSQHLFAISFAFAQ-SFHVURJKSA-N 469.885 4.716 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3ccc(F)cc3)c2c1 587621272 ROVPCKOSHSSGJQ-UHFFFAOYSA-N 469.494 4.924 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)N1 587675701 APBVLMBIUOLQBD-DYBLOJMWSA-N 486.135 4.819 5 1 JJBF COCCN(CCOC)C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C(C)C 2356821183 CQHYKILOLYQRAA-WPFOTENUSA-N 486.613 4.637 5 1 JJBF O=C(N[C@@H](Cc1ccccc1)C(=O)NCC1CCCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82075193 YZUXMGLRMPCIPH-QFIPXVFZSA-N 492.601 4.756 5 1 JJBF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82148191 TXRSSNXUAJSUMG-ROUUACIJSA-N 451.571 4.844 5 1 JJBF O=[N+]([O-])c1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2-c2ccccc2S(=O)(=O)N3)cc1 84670573 QNPCICNURAFUQC-UHFFFAOYSA-N 452.879 4.882 5 1 JJBF CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc2c(c1[N+](=O)[O-])OCO2 104038844 GWJHZFFQFADGME-AWEZNQCLSA-N 470.507 4.781 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc([N+](=O)[O-])cn2C)(C(Cl)(Cl)Cl)N1 587683138 OAWYGZGTUVPKNV-GLEZIHRCSA-N 485.568 4.983 5 1 JJBF [O-][N@@+]12CCC[C@]3(O)CCCCCC[C@@H]4CCN5CCC[C@](O)(CCCCCC[C@H](CC1)O[C@@H]32)[C@@H]5O4 299806842 YGVDXBJSMGJURA-NRLARQQTSA-N 494.717 4.578 5 1 JJBF O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 767952 KQPVVTIAKVTCCK-JTHBVZDNSA-N 467.884 4.838 5 1 JJBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCCc2ccc(OC)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 49112543 WIRHBSQCWOVAMI-VWLOTQADSA-N 494.544 4.577 5 1 JJBF O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 586951135 IPHTXRFAHDLAJM-UHFFFAOYSA-N 494.374 4.530 5 1 JJBF CN(C)c1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)nc1 587195152 RPEZGDQCPHPAQY-UHFFFAOYSA-N 492.491 4.973 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N)c([N+](=O)[O-])c2)N1 587749142 XLQGCXQQZYMHKA-WHEQGISXSA-N 456.315 4.905 5 1 JJBF Cn1c2ccccc2c2c3c(cc(/C=C/C(=O)N4CCOCC4)cc31)c1cc(Cl)ccc1[n+]2C 28638370 PVUJTIXGNUVMBG-JXMROGBWSA-N 470.980 4.988 5 1 JJBF CCN(CC)CCOc1ccc2cc3ccc(OCCN(CC)CC)c([N+](=O)[O-])c3nc2c1[N+](=O)[O-] 29415395 IVYQMMNQMYGVNI-UHFFFAOYSA-N 499.568 4.646 5 1 JJBF COc1ccccc1CCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135841 MHXWJDBVVUWUAS-UHFFFAOYSA-N 475.549 4.587 5 1 JJBF C[C@]1(c2cccc(Br)c2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539365 IDJSJMAVLAYAFT-DYESRHJHSA-N 456.248 4.940 5 1 JJBF C[C@@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548318 PMSXUNIIVWSRTB-REWPJTCUSA-N 468.849 4.703 5 1 JJBF Cc1c([N+](=O)[O-])cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1[N+](=O)[O-] 587574950 HHEHXRZPYSUSSG-CVDCTZTESA-N 450.403 4.702 5 1 JJBF NC(=O)c1cc(N2CCC(c3nc4cccc(OCc5ccccc5)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587263407 TYJOMHRSIDIWRR-UHFFFAOYSA-N 471.517 4.533 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587264398 RAAOBVBOFZZGBY-CYBMUJFWSA-N 461.478 4.654 5 1 JJBF CC(C)CCOc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1Br 587265179 LRYXDHPIAWKVQZ-AWEZNQCLSA-N 463.332 4.607 5 1 JJBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2coc(-c3ccc([N+](=O)[O-])cc3)n2)N1 963190067 NUHNXFQFLSBLTB-DYVFJYSZSA-N 467.787 4.610 5 1 JJBF O=[N+]([O-])c1ccc(OCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1F 587148529 JNYNHUMZAMVTFL-UHFFFAOYSA-N 450.142 4.850 5 1 JJBF CC1CCN(CC2CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)CC1 1857650998 KPGRQJBKGSXPEZ-UHFFFAOYSA-N 470.517 4.532 5 1 JJBF O=C(NCCc1ccccc1F)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 775323 GOTUCLVGMQSNJH-UHFFFAOYSA-N 493.422 4.896 5 1 JJBF O=C1NCc2c1c1c3cc(/C=C/Cn4ccnc4)ccc3n3c1c1c2c2ccccc2n1C[C@@H](CO)C3 28819597 OFYGMIJOYCZKPM-GNAXCBTBSA-N 487.563 4.678 5 1 JJBF Cc1nc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821415 QBFBGJYAIVNGJP-UHFFFAOYSA-N 460.338 4.837 5 1 JJBF CC(=O)CCCCC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ncc(-c2ccccc2)[nH]1 40407476 STLCEEKJWRBSOR-NRFANRHFSA-N 470.551 4.544 5 1 JJBF O=C(CCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)Nc1nc(-c2ccc(Cl)cc2)cs1 1857605634 TZGZJIMVUTYIEU-UHFFFAOYSA-N 485.997 4.518 5 1 JJBF COc1cc(OCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] 587263604 WMWBEHRHRKSMCZ-UHFFFAOYSA-N 462.178 4.720 5 1 JJBF CCOc1ccc(-c2nn(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c(=O)c3ccccc23)cc1OCC 587668866 HFFPPUAKICWUGH-UHFFFAOYSA-N 471.473 4.635 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Oc3nn(C)cc3[N+](=O)[O-])c2)N1 587752296 QQKAKSJFYGZASH-WYRIXSBYSA-N 461.291 4.646 5 1 JJBF C[C@@]1(c2cc(F)c([N+](=O)[O-])cc2Br)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962707886 YUXIJXXJBQMVIQ-RHSMWYFYSA-N 495.198 4.517 5 1 JJBF Cc1ccc([N+](=O)[O-])cc1O[C@@H](CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(C)C 28340728 JRFQTIHUIBASJA-QHCPKHFHSA-N 452.555 4.677 5 1 JJBF COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)[C@H]1C2 73168561 QGBHXLYHBPGQEH-GBXCKJPGSA-N 458.474 4.777 5 1 JJBF O=C(c1cc(-c2c(O)c([N+](=O)[O-])cc(F)c2[N+](=O)[O-])cc([N+](=O)[O-])c1O)[C@@H]1CCc2ccccc21 96273550 GHKYENVSFWUIAZ-CYBMUJFWSA-N 483.364 4.541 5 1 JJBF O=C(Nc1nc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cs1)c1cccs1 587019024 DCDHNVXEGRGLAT-UHFFFAOYSA-N 464.326 4.595 5 1 JJBF CC(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341454 JKDQCXZGKHVLBZ-ZEQKJWHPSA-N 478.476 4.623 5 1 JJBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(-c3ccc(Cl)cc3)c(Cc3ccncc3)nn12 1857609074 FNTASDRSZGHXIJ-UHFFFAOYSA-N 457.877 4.904 5 1 JJBF CCCCN(CCCC)c1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] 40567155 WRNMNGJHKOXZNG-UHFFFAOYSA-N 468.507 4.850 5 1 JJBF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2c1 587268696 BPQCYKHNIZERGZ-UHFFFAOYSA-N 459.300 4.678 5 1 JJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)c1 587270829 USHRZHHLYWPQJE-UHFFFAOYSA-N 477.649 4.853 5 1 JJBF Cc1ccc([C@@H]2[C@H]([N+](=O)[O-])[C@H](Cc3cnc[nH]3)N[C@]23c2ccccc2-c2nc4ccccc4nc23)cc1 1911575664 OXXZYCGXYYQBCJ-HLBHGXTFSA-N 488.551 4.529 5 1 JJBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1ccc(F)cc1 4213892 BGCWVILVSFCQJD-BJKOFHAPSA-N 485.512 4.835 5 1 JJBF O=[N+]([O-])c1ccc(OCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1F 587149417 RZUFMPVMVXFNCM-UHFFFAOYSA-N 450.142 4.850 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Oc3nn(C)cc3[N+](=O)[O-])c2)N1 587750799 JNUAVJGKDLUCRC-WLRWDXFRSA-N 461.291 4.646 5 1 JJBF O=[N+]([O-])c1ccc(CSc2nc(O)c3c(n2)N=C2CCCC(O)=C2[C@H]3c2cccnc2)cc1 104056425 LFRXSUURRQSHJT-GOSISDBHSA-N 461.503 4.992 5 1 JJBF Cc1c([N+](=O)[O-])cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1[N+](=O)[O-] 587748363 WMXPRPNXSAYIRT-HOGDKLEQSA-N 452.280 4.819 5 1 JJBF C[C@]1(c2ccc(F)c([N+](=O)[O-])c2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963449160 QCEHIHJCJJJSKA-NVQXNPDNSA-N 473.460 4.630 5 1 JJBF COC(=O)c1ccccc1Oc1ccc([C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1[N+](=O)[O-] 963613168 UDYFRRSPDYFWOA-BZQUYTCOSA-N 478.501 4.815 5 1 JJBF O=C(CN(Cc1ccccc1)c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1772605090 FTVBOYMFSMPYAZ-UHFFFAOYSA-N 464.953 4.604 5 1 JJBF COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCc2ccccc2)cc1 774335 GOVXUGKQDCVFQP-UHFFFAOYSA-N 489.484 4.873 5 1 JJBF COC(=O)c1cc2ccccc2n1CCCCCCOC(=O)Cc1ccc([N+](C)(C)C)cc1 13524900 IZVWQQMPPAEHDD-UHFFFAOYSA-N 451.587 4.971 5 1 JJBF COc1ccccc1CCNC(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 82136147 IGSYQGOZNYOJGJ-UHFFFAOYSA-N 483.528 4.645 5 1 JJBF CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 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O=C1c2cccc3c2c(cc2c4cc(Br)ccc4sc32)C(=O)N1CCOCCO 653903310 FWNLXMQQFMVBQR-UHFFFAOYSA-N 470.344 4.575 5 1 JJBF C[C@@](C(=O)O[C@H]1C[N+]2(CCCc3ccncc3)CCC1CC2)(c1ccccc1)N1CCCCC1 73161627 NZBUIVFAQJILBU-NGWQEONKSA-N 462.658 4.568 5 1 JJBF COc1cc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(NCCCCCN3CCCC3)c2cc1OC 95493484 MHRXNAWVODDSKZ-UHFFFAOYSA-N 480.569 4.977 5 1 JJBF COc1cc2c(cc1OC)[C@](C[C@@H]1CCC[C@H]1C(=O)O)(c1cccc([N+](=O)[O-])c1)N(C)[C@@H](C)C2 962576452 UJSNRDBCRCZBGH-BXZXBRTCSA-N 468.550 4.623 5 1 JJBF COc1ccccc1CCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 82135821 OOJZHRPETXMBRO-RTBURBONSA-N 489.576 4.833 5 1 JJBF COc1c([N+](=O)[O-])ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F 587720760 UQFBGXUAWWBGJI-ANRSDYALSA-N 461.234 4.730 5 1 JJBF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c2ccc(C(=O)O)c1[N+](=O)[O-] 587514419 XSVQEKDHKXPTLN-HHHXNRCGSA-N 469.449 4.625 5 1 JJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 587576196 NFZIBUHRPAUXNK-RBJSKKJNSA-N 494.459 4.704 5 1 JJBF Cc1nn(C)c2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c12 587875112 NMBHGRJPUZYANQ-UHFFFAOYSA-N 470.420 4.649 5 1 JJBF COc1cc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)ccc1[N+](=O)[O-] 587329661 AEEBWSVPARVGAT-DEOSSOPVSA-N 478.476 4.846 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1nc2cc1Oc1ccc(F)cc1-2 587875320 JKEBRPCPBRJDSE-UHFFFAOYSA-N 482.449 4.502 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)c(F)c(F)c2[nH]1 587263951 PKLGXXFCLIWGEL-MRVPVSSYSA-N 470.226 4.863 5 1 JJBF CC(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341445 JKDQCXZGKHVLBZ-BVAGGSTKSA-N 478.476 4.623 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587576670 KCIZMZCDAOIHAI-DHLKQENFSA-N 473.441 4.545 5 1 JJBF O=[N+]([O-])c1cnc(/C=C/c2ccc(Br)cc2)n1CCn1cc(COc2ccccc2)nn1 1857767519 JRFPUINIDYVXDP-DHZHZOJOSA-N 495.337 4.595 5 1 JJBF COC(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1 71329905 UBBKCLAVMPJRTM-UHFFFAOYSA-N 489.454 4.662 5 1 JJBF COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cc1)CC2 40898261 SETUYMXOMAZAIL-UHFFFAOYSA-N 476.533 4.857 5 1 JJBF COC(=O)/C=C/COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 103218159 QRIAMQQKSZBAET-NSCUHMNNSA-N 459.760 4.945 5 1 JJBF CCCOc1cc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2cc1Br 587079006 DNXRZVOBRSTMMA-UHFFFAOYSA-N 495.721 4.884 5 1 JJBF COc1c(OC(F)F)ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] 587717683 MAXMKOOWRJJAMI-VXJOIVPMSA-N 461.234 4.730 5 1 JJBF CC(C)(C)c1ccc(NC(=O)Nc2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)cc1 653795635 IBSPGYGMBZPKJB-XMMPIXPASA-N 465.510 4.963 5 1 JJBF CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1 64560317 SMQRNIUHTYOXCK-QFIPXVFZSA-O 450.644 4.517 5 1 JJBF O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 72104598 SHDCTECODNKXAS-UHFFFAOYSA-N 481.522 4.566 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C/c1ccccc1[N+](=O)[O-])N1CCC2CC1 587748262 SYGYFVGYWLPJLZ-WZURVKNPSA-N 472.358 4.993 5 1 JJBF CCOC(=O)CC[C@]1(c2ccc(OC)c([N+](=O)[O-])c2)NCCc2c(Cl)cc(Cl)cc21 963125043 RVMPVZBQAFFLAB-OAQYLSRUSA-N 453.322 4.643 5 1 JJBF O=[N+]([O-])c1ccc(S(=O)(=O)n2c3ccc(Br)cc3c3nc4ccccc4nc32)cc1 1860793 VRCCRKAOXNHONY-UHFFFAOYSA-N 483.303 4.645 5 1 JJBF CC(C)(Oc1ccccc1[N+](=O)[O-])[C@@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 36242443 BEIYGOMTQGIYEM-BIQUQMBWSA-N 456.495 4.689 5 1 JJBF Cc1c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980012 MOBRNDMMLJLXMT-UHFFFAOYSA-N 464.219 4.503 5 1 JJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3nc(C)c([N+](=O)[O-])c3C)c1)CC2=O 587472555 JTENEQBYWHCMFN-HSZRJFAPSA-N 465.506 4.830 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3ccc(F)cc3)c2c1 587621718 YIXOKWGRHNCCSS-UHFFFAOYSA-N 483.477 4.564 5 1 JJBF COc1ccc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 587744297 CYGLTECTYYSUHK-LAJNKCICSA-N 460.303 4.919 5 1 JJBF COc1cc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC 587749121 XCLJUCGSJRKZGQ-PRWKNARSSA-N 453.308 4.506 5 1 JJBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl 587943392 ZCQCBIIIMBETFH-UHFFFAOYSA-N 455.298 4.769 5 1 JJBF O=[N+]([O-])c1cc(Br)cc2c1OCC[C@]21c2cccc(F)c2CCN1[C@@H]1CCSC1 962700668 KAIXNFPURRTOEY-SZNDQCEHSA-N 479.371 4.886 5 1 JJBF CCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCC[N+](C)(C)C)OCc1ccccc1 64750318 BGYGTFLXULVZBZ-HSZRJFAPSA-O 464.671 4.907 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 587752036 PRVZIURKICPWIK-SHACYNPGSA-N 496.336 4.821 5 1 JJBF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 963178298 JLMYZSTYEDGYNF-XHDPSFHLSA-N 468.737 4.974 5 1 JJBF Cc1ccc([C@@H]2[C@H]([N+](=O)[O-])[C@@H](Cc3cnc[nH]3)N[C@]23c2ccccc2-c2nc4ccccc4nc23)cc1 1911575663 OXXZYCGXYYQBCJ-GCMXZSHTSA-N 488.551 4.529 5 1 JJBF COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCC(C)C)c([N+](=O)[O-])cc1OC 774881 SPQBJAZIOPQSHF-UHFFFAOYSA-N 459.886 4.973 5 1 JJBF O=C(Nc1ccc(N2CCC(O)(c3ccccc3)CC2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1O 169347671 PDYPWGCTLIIQTN-UHFFFAOYSA-N 467.909 4.694 5 1 JJBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)OCC)CC1)CC2=O 587473396 TWRDDOQCBANBCD-XMMPIXPASA-N 482.533 4.739 5 1 JJBF CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(C)cc3)[nH]c3cc([N+](=O)[O-])ccc23)n1 587646966 BEXJWKIVRPMYJD-UHFFFAOYSA-N 462.462 4.591 5 1 JJBF O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)N1CCCCCC1 100706000 FWKBJSANOPGEGM-UHFFFAOYSA-N 477.546 4.634 5 1 JJBF CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587669897 LPCCSZABERZIAC-UHFFFAOYSA-N 489.557 4.769 5 1 JJBF Fc1cccc2c1[C@@](Cn1c3ccccc3c3nn4cnnc4nc31)(c1cccs1)N1CCC[C@@H]1C2 963091746 AAQNUNOTDOXKMW-DNOBIOAJSA-N 495.587 4.792 5 1 JJBF O=C(CN1[CH]C=CC(Cc2ccccc2)=C1)c1ccc(I)c([N+](=O)[O-])c1 2356834915 OVQRODQETKWRBJ-UHFFFAOYSA-N 459.263 4.542 5 1 JJBF COc1ccc(CCNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82149977 VOUNRMXCYMTQKE-OALUTQOASA-N 489.576 4.833 5 1 JJBF O=C([C@H]1CCCCN1C1c2ccccc2-c2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 84758613 YWIUSXAORAQACC-HHHXNRCGSA-N 482.584 4.868 5 1 JJBF C[C@@]1(CC(=O)OCc2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340490 HVXPRIHEBQAUDD-ZCYQVOJMSA-N 465.433 4.691 5 1 JJBF CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549400 ZUUQSANEYSRKSZ-XUZZJYLKSA-N 483.860 4.764 5 1 JJBF CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21 587697552 WPKHYEGXRUAMAK-BIBXISHDSA-N 485.737 4.881 5 1 JJBF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149509 FZXXRTSAWICWQT-IAGOWNOFSA-N 489.532 4.511 5 1 JJBF Cn1cncc1[C@](O)(c1ccc([N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])cc(-c3ccccc3)c2o1 40409058 TYNWPOCZDGESRZ-RUZDIDTESA-N 470.441 4.934 5 1 JJBF C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCCCCCCCCC(=O)O1 103218190 RQSOYZVTCKQOSV-OALUTQOASA-N 454.589 4.868 5 1 JJBF Cc1c(Br)cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1C 586925791 JAJOURBMIVFDIX-UHFFFAOYSA-N 458.721 4.574 5 1 JJBF O=C1c2ccc(O)cc2O[C@@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587343489 UBANKLZCEORGMW-NOZRDPDXSA-N 459.433 4.591 5 1 JJBF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 963134600 BATQAQVADMUUCI-CRAIPNDOSA-N 471.491 4.647 5 1 JJBF COCCNC(=O)c1ccc(NCc2ccc(C(F)(F)F)cc2)c2c(=O)c3cccc(C)c3[nH]c12 1772614289 PNXZHSYCOAJCNL-UHFFFAOYSA-N 483.490 4.997 5 1 JJBF Cc1c(Cc2c(Cl)cccc2Cl)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]c1=O 45391491 PTBIALFKMUUXEM-UHFFFAOYSA-N 479.345 4.615 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(O)c(F)c3)c(C)c2c1 587619513 IOFABVODLFFEIL-UHFFFAOYSA-N 471.466 4.706 5 1 JJBF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4076165 BCVILJFBDNPAFF-QWGMKAFMSA-N 480.348 4.517 5 1 JJBF CC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3NC3CCCCC3)CC2)c(F)c1 40974930 JJMBZHMXOKDPAK-UHFFFAOYSA-N 468.529 4.644 5 1 JJBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)C2 72123336 GDZFNPDNCVWKME-IBGZPJMESA-N 463.412 4.767 5 1 JJBF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239146 IKPUTXKOZBROHL-SAZGQGMLSA-N 495.374 4.789 5 1 JJBF O=[N+]([O-])c1ccn(CCCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)n1 587272827 CFVNTYCFELILMN-UHFFFAOYSA-N 456.300 4.642 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc([N+](=O)[O-])cn2C)(C(Cl)(Cl)Cl)N1 587679755 GSRRGJBXIJNCLA-VXJOIVPMSA-N 485.568 4.983 5 1 JJBF Cc1ccc(-c2ccc([C@H]3c4ccccc4C[C@]4(C5CCC5)C(=O)NC(=O)N34)o2)c([N+](=O)[O-])c1 962663030 JHCMAARXFALXEJ-BVAGGSTKSA-N 457.486 4.899 5 1 JJBF C[C@@]1(c2ccc(Br)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541099 SSHKCADQYJLCRQ-RXVVDRJESA-N 456.248 4.940 5 1 JJBF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc([N+](=O)[O-])c1 73197971 FDUYSESRBUWRRY-DJCPXJLLSA-N 456.564 4.504 5 1 JJBF COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c(OCc2ccccc2)c1 299852542 UKCKYMKBKCCGSH-UHFFFAOYSA-N 464.474 5.000 5 1 JJBF CCOC(=O)C1=C(N)Oc2ccc(Sc3nc4ccccc4[nH]3)cc2[C@H]1c1ccc([N+](=O)[O-])cc1 64448479 NPFYJOMHPHMJLL-OAQYLSRUSA-N 488.525 4.880 5 1 JJBF CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587744800 FRDDYBSPBVILGI-DBLBYYFGSA-N 494.317 4.602 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587750506 IGHKNRSTTQWSKM-XUSGNXJCSA-N 475.318 4.661 5 1 JJBF O=C(OCCC1CCCCC1)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085561 CRCLMNYMOGGBGA-HXUWFJFHSA-N 457.552 4.837 5 1 JJBF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc([N+](=O)[O-])c1 82134612 FIWZHSIRDTUXPE-HRAATJIYSA-N 489.532 4.701 5 1 JJBF COC(=O)c1ccc(CN2C(=O)C[C@@H](c3ccccc3Cl)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)cc1 653730469 GYDHBUPDAKGMRJ-GPUOULLFSA-N 494.931 4.735 5 1 JJBF CC(C)(Oc1ccc(F)cc1[N+](=O)[O-])[C@@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 27737494 POJITNLXQREAAG-BBWNWAFOSA-N 474.485 4.828 5 1 JJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587053425 FDJZDEVEDSCJSI-INIZCTEOSA-N 452.801 4.573 5 1 JJBF O=C(NCCCN1CCCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4206054 XHFVTMUDHLXWJD-IRLDBZIGSA-N 491.375 4.596 5 1 JJBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN1CCCC1 4213041 FHNGHKLNVGZVNG-FGZHOGPDSA-N 464.994 4.864 5 1 JJBF O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2c(Br)c1O 26180324 DWILZSKHVNXPEV-UHFFFAOYSA-N 480.112 4.909 5 1 JJBF Cc1cccc(N2CCN(C(=O)c3ccc(SCc4cccnc4)c([N+](=O)[O-])c3)C[C@@H]2C)c1 34861388 NYEFFQCSLXMNCZ-IBGZPJMESA-N 462.575 4.941 5 1 JJBF COc1cccc(OC)c1CNc1ncc(C(=O)NCc2ccccc2)c(-c2cccc([N+](=O)[O-])c2)n1 82135756 IHNWXLXMJUSGKD-UHFFFAOYSA-N 499.527 4.611 5 1 JJBF CCOc1ccc(-c2nn(C(=O)Cc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc1OCC 587669780 PBVDQPPDHOTBAV-UHFFFAOYSA-N 473.485 4.652 5 1 JJBF Cn1cc([N+](=O)[O-])c(Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)n1 587577568 SSJGROMUFNRMCX-OFNKIYASSA-N 459.414 4.529 5 1 JJBF COc1ccc(CN(C)c2cc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)cc1OC 1857588085 RJLHILJVIOYMJC-UHFFFAOYSA-N 454.426 4.842 5 1 JJBF COc1cc(OC)cc(-c2c(OC)cc(OC)c3c(=O)c4ccc(OC)c(OC)c4oc23)c1 96933382 VRBNUZRZIVSAIG-UHFFFAOYSA-N 452.459 4.665 5 1 JJBF Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 772802 SGDLOGBYNCKDQS-IRLDBZIGSA-N 485.327 4.892 5 1 JJBF C[C@@H](Nc1ncnc2[nH]c(-c3ccc(CNCCCCCC(=O)NO)cc3)cc12)c1ccccc1 138901135 WZOHBJVJJKWIKR-LJQANCHMSA-N 472.593 4.953 5 1 JJBF COc1cc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261138 VVYXNOZQDFEERT-UHFFFAOYSA-N 488.909 4.610 5 1 JJBF COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC 775698 XGWDXTOPOGCEEW-UHFFFAOYSA-N 499.520 4.512 5 1 JJBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccc(-c3ccccc3)cc2)nc2ccc(Br)cn12 96939373 GFYNRKFYGAVMMG-UHFFFAOYSA-N 472.320 4.646 5 1 JJBF CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987931 VLVCQBFEZSCNMU-SFHVURJKSA-N 483.436 4.884 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Br)c(F)c2[nH]1 587261843 DDYMISGERIPCFY-VIFPVBQESA-N 452.236 4.724 5 1 JJBF O=C1c2ccccc2[C@](OCCCCO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 59151969 MSILRQSPKGOYIL-RUZDIDTESA-N 466.921 4.894 5 1 JJBF COc1cc(-c2ccc3c(c2)Nc2ccc(NC(=O)c4ccn[nH]4)cc2NC3=O)ccc1[N+](=O)[O-] 71788692 REUMLGMEMAIWIJ-UHFFFAOYSA-N 470.445 4.555 5 1 JJBF C[C@H](CC(=O)O)[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549235 ZASXUSWIPDNGKC-LOZXMOLPSA-N 483.860 4.922 5 1 JJBF Cc1c(F)cccc1-c1cc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc([N+](=O)[O-])c1 587137262 WLFLZQBBIJVHKV-UHFFFAOYSA-N 454.483 4.503 5 1 JJBF O=[N+]([O-])c1cc2nc(-c3ccc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)[nH]c2cc1F 587170711 GEVJTXJFTQIWRY-UHFFFAOYSA-N 464.837 4.871 5 1 JJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1 587610283 BJJWADSTONYBBG-OFNKIYASSA-N 473.466 4.945 5 1 JJBF COc1cccc([C@]2(Cc3ccc([N+](=O)[O-])cc3)NCCc3cnc4c(OC)cccc4c32)c1 963046566 KTJNCLOZLQTIBS-MHZLTWQESA-N 455.514 4.792 5 1 JJBF CCOC(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332434 GJCCJOLCTCMGFF-ZCYQVOJMSA-N 465.433 4.647 5 1 JJBF COCCNc1ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1[N+](=O)[O-] 587261454 BWKUDSQOXFVIRE-UHFFFAOYSA-N 459.222 4.978 5 1 JJBF O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2cccc(Br)c2)c1O 587936426 IWUUNISLTLXKIO-UHFFFAOYSA-N 454.074 4.989 5 1 JJBF COc1cc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260789 FLZIRKSWLWAKBI-UHFFFAOYSA-N 450.289 4.953 5 1 JJBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Cl)cc(Br)c3[nH]2)CC1 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COC(=O)c1ccc(Oc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])c(OC)c1 587431790 GPHAPNBHOHFSRG-NSYGIPOTSA-N 491.452 4.680 5 1 JJBF COc1ccccc1CCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82136035 WREWPBWCPLCNMZ-OALUTQOASA-N 489.576 4.515 5 1 JJBF CS(=O)(=O)c1ccc2cc([C@@H](O)C[C@H]3CCCCN3)c3ccc(C(F)(F)F)cc3c2c1 169339439 FTVGFDBBBXJAAM-ZHRRBRCNSA-N 451.510 4.981 5 1 JJBF Cc1nc2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2cc1Br 587056853 VDWOXRJSWCMSHH-HNNXBMFYSA-N 466.723 4.718 5 1 JJBF C[C@@]1(c2cc(Br)cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538164 CQRVJEUKXWFXEB-NQIIRXRSSA-N 456.248 4.940 5 1 JJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)/C(=C\c1ccccc1[N+](=O)[O-])NC(C)=O 587865829 KWHCECRQLIFLAZ-XDHOZWIPSA-N 488.422 4.693 5 1 JJBF CC(C)(CC(=O)O)Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587955162 GQKBSFAORLTBBS-UHFFFAOYSA-N 486.480 4.888 5 1 JJBF CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@H]1c1ccc(Cl)c(Cl)c1 1772645836 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O=[N+]([O-])c1cc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2cc1[N+](=O)[O-] 587120730 UOCPKHAWRVZSDB-UHFFFAOYSA-N 469.339 4.775 5 1 JJBF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc([N+](=O)[O-])c(C)c4)c1)[C@@H](C2)C3=O 587434696 YQXVKIYCRZBHGI-FNZWTVRRSA-N 461.470 4.988 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])ccc2N)N1 587749500 YSJLHLOYFWEPJR-XMHCIUCPSA-N 456.315 4.905 5 1 JJBF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1c(F)cc([N+](=O)[O-])cc1F 963841055 GHRVVBYSAGSOMP-SZNDQCEHSA-N 462.449 4.907 5 1 JJBF O=[N+]([O-])c1cc2c(NCCc3ccc(Cl)cc3)ncnc2cc1N1CCN(c2ccccn2)CC1 27632620 JEZBVICHWOJBFB-UHFFFAOYSA-N 489.967 4.568 5 1 JJBF CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCC1CCCCC1 82082508 BJPBFZKIQCNXGA-FQEVSTJZSA-N 459.568 4.986 5 1 JJBF O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@@H]2CCCC[C@H]21 587026301 KWVIUGXIWBXXLW-CRFBAAHOSA-N 455.496 4.516 5 1 JJBF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 587043395 QFKDDMZQPZBVDV-MRXNPFEDSA-N 477.340 4.520 5 1 JJBF CCOC(=O)CCc1[nH]c2cc([N+](=O)[O-])ccc2c1CC(=O)c1ccc(Br)cc1 587644261 RVFDZXBAXFNCFF-UHFFFAOYSA-N 459.296 4.760 5 1 JJBF CC1CCN(c2ccc([N+](=O)[O-])c([C@]3(C)N[C@H](C(=O)O)Cc4c(C(F)(F)F)cc(F)cc43)c2)CC1 962701832 KQDBWHYRWSWGSF-NZQKXSOJSA-N 495.473 4.851 5 1 JJBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1857754543 SXPZEDMCWCWHKW-KAVGSWPWSA-N 460.398 4.741 5 1 JJBF O=C1c2ccccc2[C@@](OCCCO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 59152182 GLFIMTCZHOPZNZ-DEOSSOPVSA-N 452.894 4.504 5 1 JJBF CC[C@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)n1cc(I)c(C)n1 587184609 JFBRYUWRMSPHOH-OAHLLOKOSA-N 468.302 4.768 5 1 JJBF COc1cc([C@@]2(C)c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] 963840470 AGESCEAHAOOQFS-CJAUYULYSA-N 470.522 4.812 5 1 JJBF CC[C@H]1C[N@+]2(O)CCc3cc(O)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1NCCc2c1[nH]c1ccc(O)cc21 1911577410 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COC(=O)c1ccccc1Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-] 587432676 KHJKOYXXIGVYCM-MZNJEOGPSA-N 461.426 4.671 5 1 JJBF COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 767954 ADUSBJNALFZPBK-FYYLOGMGSA-N 465.893 4.665 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587261532 CDDPVCVACHVKBW-SECBINFHSA-N 474.342 4.871 5 1 JJBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587267700 PCWKTQXQHMENAQ-LBPRGKRZSA-N 458.400 4.856 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 587750892 KHCCJOOGJKNTHT-LFPIHBKWSA-N 496.336 4.821 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 587753886 WUXNTFJYWPCIMN-RULNZOCKSA-N 483.293 4.573 5 1 JJBF COc1cc2c(cc1OC)[C@](c1ccc(C)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)N(C)[C@H](C)C2 962634546 KOAFEWFMBAYWHY-CRYYWNKWSA-N 476.529 4.787 5 1 JJBF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587238070 AMSZOOPIVPNTGA-LBBIBPJZSA-N 495.374 4.789 5 1 JJBF COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1Nc1ccc(Cl)c(Cl)c1 653689436 QEAMPRBYGQHTAE-UHFFFAOYSA-N 474.300 4.901 5 1 JJBF Cc1ccc([C@@H]2[C@H]([N+](=O)[O-])[C@H](Cc3cnc[nH]3)N[C@@]23c2ccccc2-c2nc4ccccc4nc23)cc1 1911575665 OXXZYCGXYYQBCJ-RCZLLDMCSA-N 488.551 4.529 5 1 JJBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215933 LURFVRBJUISGIF-WDJPJFJCSA-N 487.984 4.982 5 1 JJBF CO[C@]1(CO)C[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)OC1(C)C 28520470 ISJDNKVFTBCYIY-NGOKVRLYSA-N 469.541 4.747 5 1 JJBF in-vivo CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587222119 YEVPWORIWNUCMX-KRWDZBQOSA-N 454.483 4.561 5 1 JJBF CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccc([N+](=O)[O-])cc1)(c1cccc3ccccc13)NCC2 962931613 OOPKDGFLCRZLEL-MUUNZHRXSA-N 451.526 4.887 5 1 JJBF CC(C)C[C@]1(c2ccc([N+](=O)[O-])cc2)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963137101 HHEUJYRHYZXNQE-VGSWGCGISA-N 461.540 4.587 5 1 JJBF O=C1CCCC(=O)N1[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 13587487 AEUWFKJIAOJSNW-QHCPKHFHSA-N 459.502 4.576 5 1 JJBF COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC)[C@@H](OC(C)=O)C(C)(C)O2 26838065 SFHPWSCEUALLFI-CLJLJLNGSA-N 461.514 4.644 5 1 JJBF Cn1nc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587131129 ZAFVUMIFKZCWNU-UHFFFAOYSA-N 481.375 4.596 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3nn(C)cc3[N+](=O)[O-])cc2)N1 587752847 SZTCJJPXDDQSGT-NSPYISDASA-N 461.291 4.646 5 1 JJBF CCC(=O)O[C@H]1C(=O)c2c(cc(OC)c3c(=O)c4cc5ccccc5cc4n(C)c23)OC1(C)C 26832412 QNJQCBFDAHSUMR-SANMLTNESA-N 459.498 4.529 5 1 JJBF O=[N+]([O-])c1c(Br)ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 586961473 VJEMPQPASOXIHV-RUZDIDTESA-N 487.173 4.737 5 1 JJBF COc1cc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])cc1OC 587341658 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Cn1c2ccccc2c(=Nc2ccc(NS(C)(=O)=O)cc2)c2ccc(Br)cc21 377814124 JIYIKEKUNGOXLW-UHFFFAOYSA-N 456.365 4.698 5 1 JJBF CS(=O)(=O)c1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc([N+](=O)[O-])c1Cl 586927186 UDZSJAYZBWNKFZ-UHFFFAOYSA-N 465.112 4.611 5 1 JJBF NC(=O)c1cc(N2CCC(c3nc4ccc(Oc5ccccc5)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262532 BPLNLIMPSXDLTM-UHFFFAOYSA-N 457.490 4.746 5 1 JJBF COc1cc2c(=Nc3cccc(O)c3)c([N+](=O)[O-])c[nH]c2cc1OCCCN(C)Cc1ccccc1 1857570641 LSXUGQZBLRIRJF-UHFFFAOYSA-N 488.544 4.924 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577725 ONPWCOSLQAELSK-DHLKQENFSA-N 473.441 4.545 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)N1 587685107 XKXMEJXAICOTDA-YYSFKGJASA-N 470.136 4.983 5 1 JJBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](c2cccc([N+](=O)[O-])c2)(c2ccccn2)N1 963193214 ZAADKKITEDOSEY-IIBYNOLFSA-N 477.826 4.553 5 1 JJBF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)N1 963226501 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CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587198404 IUISRWOGTBCQSR-UHFFFAOYSA-N 466.295 4.759 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)N1 587682308 RWGGDHPDWJNCAF-LZVRBXCZSA-N 486.135 4.819 5 1 JJBF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cc([N+](=O)[O-])c(Br)cc2F)N1 963170392 ADVBEDAQXDGHIH-XHDPSFHLSA-N 497.626 4.857 5 1 JJBF COc1ccc(-c2cnc(-c3cnc(N4CCC(O)CC4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 82163707 QYHGIOHBKSDMHS-UHFFFAOYSA-N 489.557 4.812 5 1 JJBF Cc1cc2c(cc1C(=O)N1CCN(c3ccccc3)CC1)[n+](=O)c1cc(Cl)c(Cl)cc1n2O 27299551 HUTKCBVTFIQFII-UHFFFAOYSA-N 484.363 4.524 5 1 JJBF O=c1c2cc(Br)cc(Br)c2nc2c3c4c(sc3ncn12)CCCC4 45351254 MXHFKZNQMBRDQS-UHFFFAOYSA-N 465.170 4.861 5 1 JJBF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 587042228 KEHLRTDIWVCYMZ-HNNXBMFYSA-N 477.340 4.520 5 1 JJBF COc1cc(-c2c(Cc3ccc(C)cc3)[nH]c3ccc(S(C)(=O)=O)cc23)cc([N+](=O)[O-])c1O 587651040 ZWXIJIMZPCXAQQ-UHFFFAOYSA-N 466.515 4.760 5 1 JJBF 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4.623 5 1 JJBF C[C@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548304 PMSXUNIIVWSRTB-NFBKMPQASA-N 468.849 4.703 5 1 JJBF Fc1ccc(-n2cc(CN3CCN(c4nc5ccccc5c5ccccc45)CC3)nn2)cc1F 103247838 JKLUWMIKDIQUAP-UHFFFAOYSA-N 456.500 4.569 5 1 JJBF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587258509 LYZKXZBVIDEDCT-INIZCTEOSA-N 468.311 4.806 5 1 JJBF COc1cc(C[C@]2(Cc3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O 587389945 NZMIFENJXXYASM-AREMUKBSSA-N 462.502 4.697 5 1 JJBF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(C)cc4[N+](=O)[O-])c1)[C@@H](C2)C3=O 587432706 KYNTUTMFECVDPH-AFMDSPMNSA-N 461.470 4.988 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc([N+](=O)[O-])c[nH]2)(C(Cl)(Cl)Cl)N1 587688310 LFDIKGLPQLODFF-NXSYQRQQSA-N 471.541 4.973 5 1 JJBF COc1cc2c(cc1OC)[C@@](c1cccc(OC(C)=O)c1)(c1cccc([N+](=O)[O-])c1)N(C)[C@@H](C)C2 962628165 GZWQXYNODXWQCT-SOKVYYICSA-N 476.529 4.706 5 1 JJBF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 100009979 XEMMMYRHLQVPBM-NORCMQEKSA-N 491.544 4.661 5 1 JJBF CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 13560021 VTMBYPHWZHZKKK-UHFFFAOYSA-N 456.908 4.584 5 1 JJBF CCCCCc1nc(-c2cnc(N3CCC(O)CC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163701 FSLRYVJNUZXXDI-UHFFFAOYSA-N 451.527 4.709 5 1 JJBF Cc1ccc2nc(Cl)c([C@H]3CC(c4cccc([N+](=O)[O-])c4)=NN3C3=NC(=O)CS3)cc2c1 98085530 CKDYEFYAOGAJQI-LJQANCHMSA-N 465.922 4.885 5 1 JJBF CC1(C)CC(/C=C/c2ccc3ccc4cccc5ccc2c3c45)=[N+]([O-])[C@@H]1OCCN(CCO)CCO 103078924 JMJWWTJBTCAYRF-KSGUIJNZSA-N 486.612 4.608 5 1 JJBF O=C(Nc1ccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1)c1ccc(Br)o1 587006725 ARRUTJJRNFZFMK-UHFFFAOYSA-N 486.238 4.578 5 1 JJBF C[C@]1(c2cc(Br)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540526 PEGRXYODDSCZEG-WIYYLYMNSA-N 456.248 4.940 5 1 JJBF Cn1cc([N+](=O)[O-])c(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587576241 NPMMQIZNPXKOJW-NZQKXSOJSA-N 459.414 4.529 5 1 JJBF CCOc1ccc(CCNc2ncc(C(=O)N[C@H](C)CC)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 82135857 SNEKVSHONBSVRB-QGZVFWFLSA-N 493.564 4.642 5 1 JJBF COc1ccccc1CCNc1ncc(C(=O)NCc2ccccc2)c(-c2cccc([N+](=O)[O-])c2)n1 82135894 MIRXATHIHOXLSY-UHFFFAOYSA-N 483.528 4.645 5 1 JJBF COc1cc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC 587748329 UMNVRUVBACTMER-YBTHPKLGSA-N 453.308 4.506 5 1 JJBF CCCCc1ccc(-n2c(O)ccc2OCCn2c([N+](=O)[O-])cnc2C)c(Br)c1 587936951 NWRIWNZXMRLVLR-UHFFFAOYSA-N 463.332 4.780 5 1 JJBF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccc([N+](=O)[O-])s1 1772636930 LJUKAAOUKFCRJU-UHFFFAOYSA-N 459.476 4.501 5 1 JJBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1ccc(F)cc1 4213887 BGCWVILVSFCQJD-DNQXCXABSA-N 485.512 4.835 5 1 JJBF C[C@@H](N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 36476044 KFPHFFIKCBRUCO-UOKFIYJESA-N 453.564 4.688 5 1 JJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12/C(=C/c1ccccc1[N+](=O)[O-])N1CCC2CC1 587577388 SECGJPZPKHZFCW-VOOUDXEXSA-N 470.481 4.768 5 1 JJBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 587868357 LKDPYDSGVPXPGF-UHFFFAOYSA-N 477.277 4.797 5 1 JJBF N[C@H](Cc1ccc(I)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587186310 VBWPZVTTYOKJQK-CQSZACIVSA-N 465.298 4.506 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 587752032 PRVZIURKICPWIK-BSEYFRJRSA-N 496.336 4.821 5 1 JJBF O=C(NCCOc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 2478413 ZMGFBQBPVKZXGL-UHFFFAOYSA-N 491.431 4.593 5 1 JJBF Cn1cncc1[C@@](O)(c1ccc([N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])cc(-c3ccccc3)c2o1 40409054 TYNWPOCZDGESRZ-VWLOTQADSA-N 470.441 4.934 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2nccn2C)N1 587698039 YBHCGDPYGYYEQU-PRWKNARSSA-N 479.737 4.709 5 1 JJBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]12CCCC[C@@H]2c1ccc([N+](=O)[O-])cc1 963140246 JQAVPENMEIPMFJ-WLENULPWSA-N 473.551 4.851 5 1 JJBF O=C(O[C@H]1C[N+]2(C/C=C/c3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21 1772621698 NQWWNHNIWWQZET-DAXGAKLFSA-N 452.574 4.769 5 1 JJBF CS(=O)(=O)Nc1ccc(Nc2nccc(-c3ccc(Oc4ccccc4[N+](=O)[O-])cc3)n2)cc1 1772622131 MGLYIFAQEIHLRX-UHFFFAOYSA-N 477.502 4.959 5 1 JJBF O=[N+]([O-])c1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1Cl 587140209 IWMDSLMUZFFFTD-UHFFFAOYSA-N 464.837 4.871 5 1 JJBF COC(=O)c1ccc(Oc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])cc1 587434478 WCVPIUULXBNJLQ-HOYKHHGWSA-N 461.426 4.671 5 1 JJBF COC(=O)C[C@H](C)Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587784218 FYOVJJQYQFWBRW-CYBMUJFWSA-N 486.480 4.587 5 1 JJBF O=C(N[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1)c1cc([N+](=O)[O-])ccc1F 621477329 DXKSPCIUFQWVAW-INIZCTEOSA-N 471.872 4.682 5 1 JJBF CCOP(=O)(OCC)[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cc2cc(OC)ccc2[nH]c1=O 1857654978 MGJHMUUYGLDBRR-OAQYLSRUSA-N 461.411 4.822 5 1 JJBF CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccn3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 13726500 IBNAPGSCYPCZRO-UHFFFAOYSA-N 486.554 4.510 5 1 JJBF O=c1c2cc(O)ccc2oc2ccc(-c3c(O)ccc4oc5cccc(O)c5c(=O)c34)c(O)c12 14660212 UXDQDXXZVIQLOK-UHFFFAOYSA-N 454.390 4.695 5 1 JJBF biogenic C[C@H]1CCCCN1CC1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 1857652030 HTGIZXVZRITILO-ZDUSSCGKSA-N 470.517 4.674 5 1 JJBF Nc1nc(N)c(-c2ccc(NCc3ccc([N+](=O)[O-])cc3)cc2)c(COCc2ccccc2)n1 13685982 MOFWLTYYTPWVCA-UHFFFAOYSA-N 456.506 4.545 5 1 JJBF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2)cc1F 587147020 BOEZMUYLSILRNQ-UHFFFAOYSA-N 463.425 4.526 5 1 JJBF COc1ccc2c(c1OC)C[N@@+]1(Cc3ccc(C(=O)O)cc3)CCc3cc4c(cc3[C@@H]1C2)OCO4 1857552660 CQYSUINIZQQYFG-IADCTJSHSA-O 474.533 4.501 5 1 JJBF O=C1OCC2=C1[C@H](c1cc(Br)ccc1O)c1c(c3cccnc3c3ncccc13)N2 299837206 JNXOBJIDHTZWNR-QGZVFWFLSA-N 460.287 4.619 5 1 JJBF CCOc1cc(/C=C/c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc(Br)c1OC 586978614 YQZXPZIEYTZAPF-SNAWJCMRSA-N 463.244 4.720 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 587750891 KHCCJOOGJKNTHT-JBEBIEQOSA-N 496.336 4.821 5 1 JJBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 963178290 JLMYZSTYEDGYNF-ABAIWWIYSA-N 468.737 4.974 5 1 JJBF Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@]1(C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963228261 OGPKMRIFXLMYAK-NIYFSFCBSA-N 492.532 4.828 5 1 JJBF CCN(CC)c1ccc(-c2nn(C(=O)c3cccc([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1 587664641 GFPLWCRFISWISY-UHFFFAOYSA-N 472.501 4.520 5 1 JJBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCOc1ccccc1 4215360 YSGRIKWGKDQXLY-ZEQRLZLVSA-N 483.521 4.533 5 1 JJBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1Cl)C2 473130575 KSJOUFARRDCIMQ-INIZCTEOSA-N 469.803 4.988 5 1 JJBF O=[N+]([O-])c1c(Br)ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 586961475 VJEMPQPASOXIHV-VWLOTQADSA-N 487.173 4.737 5 1 JJBF C[C@]1(c2cc(Br)cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538166 CQRVJEUKXWFXEB-WIYYLYMNSA-N 456.248 4.940 5 1 JJBF O=C1c2ccccc2[C@](OCCCO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 59152184 GLFIMTCZHOPZNZ-XMMPIXPASA-N 452.894 4.504 5 1 JJBF CC(=O)N1CCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82219634 MECJQBQMLZJWKL-UHFFFAOYSA-N 486.557 4.511 5 1 JJBF Cc1cc2[nH]c([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] 587222557 ZBGNTARFVIUOEN-QGZVFWFLSA-N 468.510 4.869 5 1 JJBF Cc1nn(Cc2cccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2)c(C)c1[N+](=O)[O-] 587660584 HKBHSPBVMVVFDI-UHFFFAOYSA-N 497.486 4.661 5 1 JJBF O=c1nc(N2C[C@H]3CC[C@H]2CN3Cc2ccc(F)cc2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857534519 SYQBJJKYOZXOGS-CVEARBPZSA-N 494.470 4.576 5 1 JJBF COc1cc(NS(C)(=O)=O)ccc1N=c1c2ccccc2n(C)c2ccc(Br)cc12 378063495 OWOCIZCPWWFEBK-UHFFFAOYSA-N 486.391 4.707 5 1 JJBF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587200389 FCDWPFZBHRHPQI-UHFFFAOYSA-N 460.288 4.751 5 1 JJBF COCCOc1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] 587265339 OYSKPFNZVJZJQR-UHFFFAOYSA-N 460.206 4.945 5 1 JJBF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCC(F)F 587717241 KWSQGJQIPYXHPS-UGZDLDLSSA-N 475.261 4.773 5 1 JJBF Cc1ccc(OC(C)(C)[C@H]2OC[C@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 27747967 VGBBXLWOWUXXFE-UAMNSOICSA-N 470.522 4.997 5 1 JJBF COc1ccc([C@@H]2[C@@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 66259670 UNRAZVLUUMJLRL-DHIUTWEWSA-N 464.474 4.501 5 1 JJBF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587259171 YEBUKHVKKIYWGJ-INIZCTEOSA-N 468.311 4.806 5 1 JJBF Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963510318 PVQQODFUIUHTLN-CVDCTZTESA-N 450.516 4.757 5 1 JJBF COc1cc([C@H]2COc3cc4ccc5c(O)cc(OC)c6c5c4c(c3[C@@H]2O)CC6)cc(OC)c1O 2356732952 KWRBBGXCBMVVTQ-DNOBIOAJSA-N 474.509 4.738 5 1 JJBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccccc1N 4080457 QVZHWYSVBTZVDF-RPWUZVMVSA-N 484.553 4.525 5 1 JJBF O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccccc1 587219167 MTKGCRVYSGXQNJ-SFHVURJKSA-N 451.280 4.753 5 1 JJBF COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334400 JIYAWZBPCAWIHL-UKILVPOCSA-N 480.448 4.595 5 1 JJBF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 775209 FPGVWPIGHJMWAZ-SJKOYZFVSA-N 461.877 4.846 5 1 JJBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149448 BIFFQMDBVHFEGM-HDICACEKSA-N 477.540 4.964 5 1 JJBF COc1cc2c(cc1OC)[C@@](c1ccc([N+](=O)[O-])o1)(c1c(C)c(C=O)c3ccccn13)N(C)[C@H](C)C2 962574281 UCPNCQXFGAJZRC-CHAGWJKLSA-N 489.528 4.747 5 1 JJBF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)s2)N1 963233082 SYTBHSNQSBXYOW-XXBNENTESA-N 465.918 4.749 5 1 JJBF O=C(NN1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])cc1)c1[nH]c2ccc(F)cc2c1-c1ccccc1 1857609031 XZPAUORSCPKHGK-XMMPIXPASA-N 476.489 4.801 5 1 JJBF O=[N+]([O-])c1ccc(CSc2nc(O)c3c(n2)N=C2CCCC(O)=C2[C@@H]3c2cccnc2)cc1 104056420 LFRXSUURRQSHJT-SFHVURJKSA-N 461.503 4.992 5 1 JJBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCCCc2ccc(OC)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 169723584 OKKUKHGCYSTZHB-NOZRDPDXSA-N 494.544 4.791 5 1 JJBF O=C(C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1)OCc1ccccc1 587203800 UKUPUXSQWZEICZ-QFIPXVFZSA-N 474.473 4.572 5 1 JJBF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 587272684 XSCABNWWJIOBQX-UHFFFAOYSA-N 466.519 4.961 5 1 JJBF COc1cc2ncc3c(N)nc(-c4cncc(Nc5cccc(CO)c5)c4)cc3c2cc1OC 45259237 FFWNZIAZKHNJHQ-UHFFFAOYSA-N 453.502 4.680 5 1 JJBF Cc1ccc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23Cc2ccccc2C3=O)cc1 66259763 XEHXLOKBZPZWOT-LSGCGUROSA-N 497.576 4.648 5 1 JJBF COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H](c3ccc(F)cc3)[C@H]1C2 73168546 AKVFJZDNQJRQLL-GBXCKJPGSA-N 476.464 4.917 5 1 JJBF Clc1cccc(-n2cc(CN3CCN(c4nc5ccccc5c5ccccc45)CC3)nn2)c1 103247830 ZZQOAZPUFCVMGK-UHFFFAOYSA-N 454.965 4.944 5 1 JJBF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1nn(C)cc1[N+](=O)[O-] 587753377 VMRCGQLMVCXUPS-BIBXISHDSA-N 491.317 4.654 5 1 JJBF C[C@@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)c3ccccc3Cl)c([N+](=O)[O-])c2)[C@@H]1C 3020399 WPRZEZBEIDYKAF-CPUCHLNUSA-N 450.944 4.636 5 1 JJBF NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N[C@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 102820744 PLBPJLPIDAWWPE-HWKVCKQJSA-N 486.572 4.624 5 1 JJBF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82148968 SWYARPKGQLVPFH-HDICACEKSA-N 451.571 4.939 5 1 JJBF C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCCCCCCCCC(=O)O1 103218189 RQSOYZVTCKQOSV-MOPGFXCFSA-N 454.589 4.868 5 1 JJBF COCCNc1ccc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1[N+](=O)[O-] 587262088 NVBHXIPJONLMCX-UHFFFAOYSA-N 463.332 4.994 5 1 JJBF O=[N+]([O-])c1cnc(/C=C/c2ccc(Br)cc2)n1CCn1cc(-c2ccccc2)nn1 1857651825 UERCOXOMVJTHRH-DHZHZOJOSA-N 465.311 4.683 5 1 JJBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2cccc([N+](=O)[O-])c2)C1 82135677 ARKJAPGHYSRGRL-CALCHBBNSA-N 489.532 4.511 5 1 JJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c1)O2 587390556 RLPIUWRJKDKNFZ-AREMUKBSSA-N 472.545 4.514 5 1 JJBF O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82150042 XXKMYVWMHSSRTL-UHFFFAOYSA-N 471.439 4.601 5 1 JJBF O=C(O)c1ccc2oc3ccc(OC[C@@H](O)CSc4ccc(Cl)cc4)cc3c(=O)c2c1 169321923 ZANVPUPFUYOHHC-OAHLLOKOSA-N 456.903 4.830 5 1 JJBF Cc1cc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc2cc1[N+](=O)[O-] 587172234 DLCLBPUICUEPKM-OAHLLOKOSA-N 490.539 4.553 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587750931 KNIJUBYPPKVWHY-QKVFXAPYSA-N 475.318 4.661 5 1 JJBF COc1cc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)cc(=O)c2c(OC)c1OC 1857597654 UKJIOYBTCQIKHB-UHFFFAOYSA-N 476.441 4.646 5 1 JJBF CCOC(=O)c1c(NC(=O)CSCc2nc3ccc([N+](=O)[O-])cc3[nH]2)sc2c1CCCCC2 1857637275 PSZIWDUUCKDPPB-UHFFFAOYSA-N 488.591 4.850 5 1 JJBF COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)nc2c1 587266341 YSBWUFYNEAIDCW-UHFFFAOYSA-N 484.310 4.549 5 1 JJBF CN(C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c2ccccc21 13758045 XZKOBCVRTHCGDQ-QFIPXVFZSA-N 458.518 4.890 5 1 JJBF COc1ccc(CCNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82135825 QTDDOSKCCKLUSA-KDURUIRLSA-N 489.576 4.833 5 1 JJBF COC(=O)c1cc(Cl)c2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1 587053915 HNUOODNESQIYBR-INIZCTEOSA-N 465.293 4.692 5 1 JJBF Fc1cccc2c1[C@](Cn1c3ccccc3c3nn4cnnc4nc31)(c1cccs1)N1CCC[C@@H]1C2 963091744 AAQNUNOTDOXKMW-CLYVBNDRSA-N 495.587 4.792 5 1 JJBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1ccc(F)cc1 4213889 BGCWVILVSFCQJD-RPWUZVMVSA-N 485.512 4.835 5 1 JJBF CCCCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084553 BPLGUSAXEONLPX-FQEVSTJZSA-N 498.630 4.666 5 1 JJBF COc1ccc(CCN(C)c2ncc(-c3ncc(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC 82163764 PKEIKYNLHBGXQO-UHFFFAOYSA-N 475.505 4.711 5 1 JJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc12 587576192 NFZIBUHRPAUXNK-CUBQBAPOSA-N 494.459 4.704 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587748623 AOUPYUYEOJDGGI-XUSGNXJCSA-N 475.318 4.661 5 1 JJBF NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 254017875 PLBPJLPIDAWWPE-IOYLPZCQSA-N 486.572 4.624 5 3 JJBF CC(=O)N1CCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82174516 RCHICNQZJJYXJV-UHFFFAOYSA-N 486.557 4.511 5 1 JJBF O=C(NCc1ccccc1C(F)(F)F)c1cnc(NCC2CC2)nc1-c1ccc([N+](=O)[O-])cc1 82147665 CUKBWRRQVSBUKB-UHFFFAOYSA-N 471.439 4.823 5 1 JJBF COc1ccc2c(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(-c3ccc(OC)c(O)c3)[nH]c2c1 96937886 DRQHAGLCDNAWNL-UHFFFAOYSA-N 463.402 4.605 5 1 JJBF CC(C)OCc1ccc2c(c1)c1c3c(c4c5ccccc5n5c4c1n2C[C@@H](CO)C5)C(=O)NC3 28819515 GMBNHFLNVFGDOH-KRWDZBQOSA-N 453.542 4.693 5 1 JJBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(Cl)c(OC(F)F)c3)cc1)C2 45284659 WWHKUMQTCGJQAD-HNNXBMFYSA-N 451.813 4.691 5 1 JJBF O=c1c2ccccc2n(Cc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)c2ccc(Br)cc12 299871197 YARDGWXRGOVQES-UHFFFAOYSA-N 490.317 4.514 5 1 JJBF O=[N+]([O-])c1cc(Br)cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 587000428 NJXZUWXKIRONGO-UPHRSURJSA-N 481.100 4.938 5 1 JJBF COc1cc([N+](=O)[O-])c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587329760 AOCVMJLZGPPFKE-VWNXMTODSA-N 453.422 4.731 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])N1 587700654 VJDPQGIPFPPRJW-APBUJDDRSA-N 470.726 4.928 5 1 JJBF COc1ccc2c(c1OC)[C@H](c1ccc(-c3ccc(C(=O)O)cc3)cc1[N+](=O)[O-])N(C)[C@@H](C)C2 962623856 LBGFIGYJFCNUEG-OWJWWREXSA-N 462.502 4.943 5 1 JJBF CC(C)(Oc1ccccc1[N+](=O)[O-])[C@H]1OC[C@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 27752589 BEIYGOMTQGIYEM-JXPHEJSSSA-N 456.495 4.689 5 1 JJBF COC[C@H](C)Oc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1 95596709 PMAKGILJUWZQRZ-CWDCEQMOSA-N 477.473 4.524 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc([N+](=O)[O-])cn2C)(C(Cl)(Cl)Cl)N1 587683142 OAWYGZGTUVPKNV-VXJOIVPMSA-N 485.568 4.983 5 1 JJBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCC[C@@H](C)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 169723578 OQSUXEGRTNTNEG-OHOZJJFFSA-N 464.518 4.953 5 1 JJBF CCOC(=O)c1cc(OCC)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1OCC 587944071 YMCJXNXYVHSMKQ-UHFFFAOYSA-N 459.268 4.570 5 1 JJBF Cc1oc(=O)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1[C@]1(C)NCCc2c(Cl)cc(Cl)cc21 963114945 YGKRGZZQWXCKEH-QHCPKHFHSA-N 488.327 4.825 5 1 JJBF COc1ccc2c(c1)c(CC(=O)Nc1ncc([N+](=O)[O-])s1)c(C)n2C(=O)c1ccc(Cl)cc1 1772600167 PMVORCFMNUAUTH-UHFFFAOYSA-N 484.921 4.846 5 1 JJBF COc1cc(C(=O)O)c(Nc2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)c(OC)c1OC 84709795 RSLRVXOGIWYMEF-UHFFFAOYSA-N 454.435 4.641 5 1 JJBF Nc1ncc(-c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1[N+](=O)[O-] 587268412 WQMZTPLLYMHXCV-UHFFFAOYSA-N 460.347 4.526 5 1 JJBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1C[C@@H](c1cccc(Br)c1)N(C)C 587939229 JHNULTUSNASWCO-KDOFPFPSSA-N 454.365 4.689 5 1 JJBF CC(C)(Oc1ccccc1[N+](=O)[O-])[C@@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c2cccnc2)O1 27752569 BEIYGOMTQGIYEM-VQLHPMEFSA-N 456.495 4.689 5 1 JJBF COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H](c3ccc(F)cc3)[C@@H]1C2 73168542 AKVFJZDNQJRQLL-HYBUGGRVSA-N 476.464 4.917 5 1 JJBF O=C(NCC1CCCCC1)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc([N+](=O)[O-])c1 82134703 NIXSHCHWOMCRCN-UHFFFAOYSA-N 489.532 4.703 5 1 JJBF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1cccc([N+](=O)[O-])c1C(=O)c1cccc([N+](=O)[O-])c12 587514450 YNVKXAULNPSOHK-AREMUKBSSA-N 470.437 4.835 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587577827 PHMWSEMVHDLOMH-WIOPSUGQSA-N 473.441 4.545 5 1 JJBF O=C(c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 82148838 KEFMEDNZEZIINK-UHFFFAOYSA-N 471.439 4.919 5 1 JJBF O=C(c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 82149164 FBKSZBOILCUYKT-UHFFFAOYSA-N 451.914 4.596 5 1 JJBF CCc1c(-c2ccc(N)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587621197 QDHQLZYACDGXFA-UHFFFAOYSA-N 466.519 4.697 5 1 JJBF COc1cc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC 587748325 UMNVRUVBACTMER-GIPWTMENSA-N 453.308 4.506 5 1 JJBF O=c1cc(N2CCN(CC3CCCCC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857617481 LKTGKSLRRVEZFI-UHFFFAOYSA-N 455.502 4.891 5 1 JJBF COc1cccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)c1OC 82163723 ILVNGWCPPWJSLF-UHFFFAOYSA-N 475.505 4.995 5 1 JJBF Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccc([N+](=O)[O-])cc2)cc1Cl 103212335 VDLDQEOPWCHLMQ-FQEVSTJZSA-N 487.969 4.629 5 1 JJBF O=[N+]([O-])c1ccc(OCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1F 587149520 UIUNUOCNBTVNKO-UHFFFAOYSA-N 476.873 4.643 5 1 JJBF CSc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] 587407647 BFZZLMNHQYZNTB-XMMPIXPASA-N 464.499 4.815 5 1 JJBF CCCOc1ccccc1-c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1N 587620830 HGQSUOLPUAYVPK-UHFFFAOYSA-N 496.545 4.924 5 1 JJBF CCCCc1nc(Cl)c(C=O)n1Cc1ccc2c(-c3nnn[nH]3)cc3ccccc3c(=O)c2c1 13742160 ZRNTZASSCRYQEQ-UHFFFAOYSA-N 472.936 4.587 5 1 JJBF O=[N+]([O-])c1cnc2[nH]c(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)nc2c1 586965639 NIEJJQAOFFLPOV-UHFFFAOYSA-N 467.898 4.712 5 1 JJBF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587004851 ZRFDJTDQVZKAEP-LBPRGKRZSA-N 479.132 4.720 5 1 JJBF Cc1nn(Cc2ccccc2-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C)c1[N+](=O)[O-] 587265095 MIOFTMHJDFYRCL-UHFFFAOYSA-N 471.271 4.670 5 1 JJBF CCOC(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341641 ZFXORGQMGUSRTR-ZCYQVOJMSA-N 465.433 4.647 5 1 JJBF O=C(O)c1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587576771 POXZHMOIJBMOBU-YIXXDRMTSA-N 483.432 4.904 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(O)c([N+](=O)[O-])c2)N1 587680159 SPTBGHVXGNYVNR-ZIDLFYJRSA-N 460.097 4.588 5 1 JJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C 587865742 HJYZKYXCBVPYEO-CYBMUJFWSA-N 451.405 4.591 5 1 JJBF CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@]1(C)c2ccsc2CCN1Cc1ccco1 962701048 CRVNWFPAXPAZFB-REWPJTCUSA-N 469.519 4.879 5 1 JJBF COc1cc([C@@H]2COc3cc4ccc5c(O)cc(OC)c6c5c4c(c3[C@H]2O)CC6)cc(OC)c1O 85567627 KWRBBGXCBMVVTQ-MYUZEXMDSA-N 474.509 4.738 5 1 JJBF biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc5nc6ccccc6nc5cc4[nH]3)CC2)cc1 586954742 OGRQPDQHKRPIFB-UHFFFAOYSA-N 457.559 4.536 5 1 JJBF CCN1C(=O)C[C@@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@H]1c1ccccc1Cl 587061388 LINBPEROKOGXHZ-DIFFPNOSSA-N 463.719 4.964 5 1 JJBF COc1cc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)ccc1[N+](=O)[O-] 587329685 AEEBWSVPARVGAT-XMMPIXPASA-N 478.476 4.846 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)C(C)C)c2c1 587617303 CZTLSIIPWDDYAX-UHFFFAOYSA-N 485.440 4.743 5 1 JJBF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC(F)F 587714517 GDCTVJPPTZCPKS-RBHXEPJQSA-N 461.234 4.730 5 1 JJBF COc1cc(OC)cc(-c2nn(-c3ccc([N+](=O)[O-])cc3Cl)c(=S)n2C[C@@H]2CCCO2)c1 45323528 BOBRKUODFXTBIU-HNNXBMFYSA-N 476.942 4.828 5 1 JJBF COCCOc1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] 587264716 IBZLELAFLPWKLV-UHFFFAOYSA-N 460.206 4.945 5 1 JJBF CCCCOc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1Br 587269780 OWQUZKVLZPTRCW-UHFFFAOYSA-N 457.288 4.660 5 1 JJBF CCCCCOc1cc(OC[C@@H](O)CNCCCC)cc2oc3c(OC)cccc3c(=O)c12 1772650090 UONHZYLOQRPZLO-SFHVURJKSA-N 457.567 4.653 5 1 JJBF COCCNc1ccc(-c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)cc1[N+](=O)[O-] 587261979 KQCWHQAFNNVVLO-UHFFFAOYSA-N 479.468 4.866 5 1 JJBF CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587514433 YCXAEFFOBVLXKC-VWLOTQADSA-N 478.545 4.960 5 1 JJBF O=C(O[C@H]1C[N+]2(CCCOCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857584392 AIMDAESTPOXUBL-IIIFQBMYSA-N 486.632 4.682 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587754423 YPGNLOZRMNTVHP-LAJNKCICSA-N 475.318 4.661 5 1 JJBF C[C@](O)(CSc1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857580817 DTOAUENSISGDTB-INIZCTEOSA-N 484.374 4.994 5 1 JJBF O=C(NCCc1ccc(F)cc1)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 774960 SWZKPILMSSIZIM-UHFFFAOYSA-N 493.422 4.896 5 1 JJBF COc1c([N+](=O)[O-])ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC(F)F 587714548 GETATTOPKMRDAW-AYVTZFPOSA-N 461.234 4.730 5 1 JJBF Cc1ccc([C@@H]2[C@H]([N+](=O)[O-])[C@@H](Cc3cnc[nH]3)N[C@@]23c2ccccc2-c2nc4ccccc4nc23)cc1 1911575666 OXXZYCGXYYQBCJ-VSUKXTEZSA-N 488.551 4.529 5 1 JJBF NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 13878925 ATDUBCKOULIBLB-VWLOTQADSA-N 482.540 4.636 5 3 JJBF CC[C@H](C)[C@@H](/C=C/c1ccccc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1ccc([N+](=O)[O-])cc1 26737325 BTQNZEKXLKFOAR-ONVFUIMQSA-N 463.578 4.876 5 1 JJBF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2NCCNc1ccc(C[N+](=O)[O-])cn1 299872380 DIUNUIFNQPGKAT-NUPXYHBHSA-N 464.610 4.793 5 1 JJBF aggregator Cc1cc2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc2cc1[N+](=O)[O-] 586969138 GTZWVRAPTQGROI-GASCZTMLSA-N 464.551 4.629 5 1 JJBF Cn1cc([N+](=O)[O-])c(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)n1 587579408 ZPHBNKMMIDTRDF-OFNKIYASSA-N 459.414 4.529 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)c(F)c3)c(OC)c2c1 587619213 CCFNCDZCZCKWLR-UHFFFAOYSA-N 489.456 4.839 5 1 JJBF COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587747439 NTRMVRCCOLCNHC-XUSGNXJCSA-N 460.303 4.919 5 1 JJBF CCOC(=O)Cn1c(=O)c(-c2cc(Br)ccc2NC)nc2cc3ccccc3cc21 2471208 LBIUSKIBTRIHMC-UHFFFAOYSA-N 466.335 4.584 5 1 JJBF O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@H]2CCCC[C@H]21 587026302 KWVIUGXIWBXXLW-NRXGSXMXSA-N 455.496 4.516 5 1 JJBF COCCN1C(=O)CC[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@H]1c1ccccc1Cl 587062076 RTKMQDHCVZDWAC-RNODOKPDSA-N 463.321 4.872 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)N1 587681599 QLJUXTIICJPPFV-NIVTXAMTSA-N 470.136 4.983 5 1 JJBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC 4050807 ZFNRRFDEXZQKCG-ZFNHMYRTSA-N 493.491 4.720 5 1 JJBF O=C1c2ccccc2[C@](OCCCO)(c2ccc(Br)cc2)N1Cc1ccc([N+](=O)[O-])cc1 66128782 SZLBLSBKNZZFET-XMMPIXPASA-N 497.345 4.613 5 1 JJBF O=c1nc(N2CCN(CCC3CCCCC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 141440904 IALVDYGXZPIDQC-UHFFFAOYSA-N 470.517 4.676 5 1 JJBF O=C1C[C@@H]2OCC=C3C[N@@+]4(Cc5ccc6ccccc6c5)CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]64 253793506 XGFSECKOYNLTFU-CHVHMVEWSA-N 475.612 4.961 5 1 JJBF CC(C)n1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc(Br)c1Br 587005007 IPIKNEKZRNQSMW-UHFFFAOYSA-N 473.081 4.954 5 1 JJBF COCCOc1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] 587264684 HIXVVYNGTIFQSM-UHFFFAOYSA-N 460.206 4.945 5 1 JJBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 587868486 MNRZFEWRIKPPJU-UHFFFAOYSA-N 488.378 4.741 5 1 JJBF O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC1(c2ccccc2)CC1 1857745694 PTQOPEVIFLGQLE-VWLOTQADSA-N 497.555 4.657 5 1 JJBF COc1ccccc1CCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc([N+](=O)[O-])cc1 82149950 SZKKOPSFPVWDDB-UHFFFAOYSA-N 487.516 4.546 5 1 JJBF COc1cc2c(cc1OC)[C@](c1cccc(OC(C)=O)c1)(c1cccc([N+](=O)[O-])c1)N(C)[C@H](C)C2 962628168 GZWQXYNODXWQCT-XGCWNURASA-N 476.529 4.706 5 1 JJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 586949504 XNXXAHULNQOTJS-UHFFFAOYSA-N 477.424 4.661 5 1 JJBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCOc1ccccc1 4215373 GOZIJJMBCNVOFW-DQEYMECFSA-N 499.564 4.821 5 1 JJBF COCCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 82224953 MNSBTIWBUAFAMW-UHFFFAOYSA-N 463.538 4.551 5 1 JJBF COC[C@H](C)Oc1cc(/C=C/c2cccc([N+](=O)[O-])c2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1 95593551 HRKXIEJISKNHQW-MOEXGYKKSA-N 477.473 4.524 5 1 JJBF COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c(OC2Cc3ccccc3C2)c1 299850572 BKVLTDHOUSMUCA-UHFFFAOYSA-N 490.512 4.967 5 1 JJBF CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cccc([N+](=O)[O-])c2[nH]1 586995282 FAGXXGUIHKLEIH-OAHLLOKOSA-N 475.343 4.912 5 1 JJBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1ccccc1F 4274984 NGQKWGADKSBWRE-RPWUZVMVSA-N 485.512 4.835 5 1 JJBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(Cl)c(OC(F)(F)F)c3)cc1)C2 45303307 PJVACWFQBCLMFE-HNNXBMFYSA-N 469.803 4.988 5 1 JJBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 587872008 SJCRVGCLALVYLV-UHFFFAOYSA-N 451.410 4.857 5 1 JJBF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82148976 SWYARPKGQLVPFH-QZTJIDSGSA-N 451.571 4.939 5 1 JJBF Cc1onc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079426 JYNSWULKQPLTIN-UHFFFAOYSA-N 477.186 4.885 5 1 JJBF CCOC(=O)c1c(C2CCN(C(=O)OCc3ccccc3)CC2)[nH]c2cccc([N+](=O)[O-])c12 587648490 FTVJLTVVQJQWAX-UHFFFAOYSA-N 451.479 4.769 5 1 JJBF COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587747072 LRXCKEHQZGBZHJ-GTJPDFRWSA-N 460.303 4.919 5 1 JJBF Cc1nn(Cc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c(C)c1[N+](=O)[O-] 587749838 ZSJQVMCAXUFOHZ-APBUJDDRSA-N 463.307 4.575 5 1 JJBF Cc1nc2oc3ccccc3c(=O)c2cc1[C@@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962702664 SCNPZPFFJZJZEM-NTKDMRAZSA-N 486.421 4.670 5 1 JJBF O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O 1857586728 SCHBVSWYFNRIDH-LJQANCHMSA-N 474.300 4.587 5 1 JJBF O=C1NCc2c1c1c3cc(/C=C/n4ccnc4)ccc3n3c1c1c2c2ccccc2n1C[C@H](CO)C3 28819595 LMWATYNKYSUDRB-KOEDOTQGSA-N 473.536 4.592 5 1 JJBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)C1 82214877 JXAUOCRWZJKBRE-RDGPPVDQSA-N 451.571 4.652 5 1 JJBF [O-][N+]12CCC[C@]3(O)CCCCCC[C@@H]4CCN5CCC[C@](O)(CCCCCC[C@H](CC1)O[C@H]32)[C@H]5O4 238768588 YGVDXBJSMGJURA-MFOWENLASA-N 494.717 4.578 5 1 JJBF Cc1cccc([C@@H]2[C@H]([N+](=O)[O-])[C@H](Cc3cnc[nH]3)N[C@]23c2ccccc2-c2nc4ccccc4nc23)c1 1911571025 FXEUHDCDRKHKGM-HLBHGXTFSA-N 488.551 4.529 5 1 JJBF COc1ccc(-c2nnc(-c3ccc4nc(Cc5c([N+](=O)[O-])cnn5C(C)C)[nH]c4c3)o2)cc1 587267890 HWIZIVZCPPMEKZ-UHFFFAOYSA-N 459.466 4.565 5 1 JJBF C[C@@]1(CC(=O)Nc2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338552 CTKJZJZZIOIOFU-UPVQGACJSA-N 450.422 4.586 5 1 JJBF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(I)c([N+](=O)[O-])c1)CC2=O 587470115 DKGQMRWXCSDQPR-INIZCTEOSA-N 483.258 4.573 5 1 JJBF Cc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NN3C3=NC(=O)CS3)cc2c1 98085527 IYUJAMOOKHNGED-IBGZPJMESA-N 465.922 4.885 5 1 JJBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587117960 MOXUHMDLYLALTE-UHFFFAOYSA-N 472.143 4.824 5 1 JJBF Cn1ccc2ccc3c4[nH]c5c(CCCN[C@H]6CC[C@H](O)CC6)cccc5c4c4c(c3c21)C(=O)NC4=O 253706670 SDUWPCYMTHMQAZ-WGSAOQKQSA-N 494.595 4.675 5 1 JJBF COc1cc2nc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc(NC3CCCCC3)c2cc1OC 82119566 RJZLYWYLIBTTSM-UHFFFAOYSA-N 492.580 4.626 5 1 JJBF COC(=O)CCCCCNCc1cc2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 299822038 NOLDUOLGVUYRBK-UHFFFAOYSA-N 455.551 4.850 5 1 JJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 587167226 IQRQWJFCZCQIKU-UHFFFAOYSA-N 497.327 4.902 5 1 JJBF Cc1nn(Cc2ccccc2-c2nc3c(Br)cnc(Cl)c3[nH]2)c(C)c1[N+](=O)[O-] 587264529 HKDCPKVXJYWPJS-UHFFFAOYSA-N 461.707 4.811 5 1 JJBF CCOC(=O)C[C@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587377349 WOAGKNHFBMNULD-FQEVSTJZSA-N 453.278 4.606 5 1 JJBF COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587747464 OAUAYRUOUZHAQO-PNWSOYTISA-N 463.303 4.502 5 1 JJBF O=C(O)c1ccc([N+](=O)[O-])cc1Sc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1 96258068 TZQWJPPDVZTHKU-UHFFFAOYSA-N 467.890 4.856 5 1 JJBF CCOC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(C)=C(C(=O)OCC)C1c1ccc2c(c1)OCO2 96917938 DZUBIYCMUDGDEB-UHFFFAOYSA-N 494.500 4.602 5 1 JJBF NS(=O)(=O)c1ccc(/N=c2\scc(-c3cccc([N+](=O)[O-])c3)n2C2CCCCC2)cc1 473110931 XWVSQDVKYUANDF-LNVKXUELSA-N 458.565 4.510 5 1 JJBF CCCCCOc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br 587259635 GJKNGOGIOAHPSD-IHRRRGAJSA-N 452.349 4.555 5 1 JJBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N)c([N+](=O)[O-])c2)N1 587747889 QTJQHNJLGXIPGF-WHEQGISXSA-N 456.315 4.905 5 1 JJBF O=C(O[C@H]1C[N+]2(CCCc3ccc(F)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857551059 ROGWHWMEXSUERD-JUEZVXFGSA-N 474.596 4.847 5 1 JJBF N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c5cc6ccc7ccccc7c6cc5oc2c34)C1 1658938 QYQUMHWYIJBNPE-INIZCTEOSA-N 481.483 4.880 5 1 JJBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(Oc2ccc(C(=O)O)cn2)ccc1[N+](=O)[O-] 13553384 AFGUCCYQYABXDZ-FYINFDKHSA-N 471.510 4.896 5 1 JJBF CCOC(=O)C1=C(N)Oc2ccc(Sc3nc4ccccc4[nH]3)cc2[C@H]1c1cccc([N+](=O)[O-])c1 64755137 ZWEAJPVKHHPNSX-OAQYLSRUSA-N 488.525 4.880 5 1 JJBF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)CC2)cc1 586954527 DZGZAAALFGROCJ-UHFFFAOYSA-N 462.959 4.816 5 1 JJBF C[C@H](CC(=O)O)[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549234 ZASXUSWIPDNGKC-KTICBNGHSA-N 483.860 4.922 5 1 JJBF O=[N+]([O-])c1c(Br)ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 587167755 RJRCNISVIBIKTG-UHFFFAOYSA-N 497.327 4.902 5 1 JJBF COc1cccc2c3c(cnc12)CCN[C@]3(c1ccc([N+](=O)[O-])o1)c1c(C)c(C=O)c2ccccn12 963046505 JTEJAZLXRKJCGI-MHZLTWQESA-N 482.496 4.556 5 1 JJBF CCCCOc1cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2cc1Br 587117712 VOGZPKHAUFGADO-UHFFFAOYSA-N 476.253 4.985 5 1 JJBF Ic1cnc2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cn12 587187788 KUQQYRXLLDXUAF-UHFFFAOYSA-N 462.254 4.579 5 1 JJBF c1ccc2nc3cc4[nH]c(CSc5nnc(-c6ccc7c(c6)OCO7)o5)nc4cc3nc2c1 586969355 JUUYBAJMKGELDX-UHFFFAOYSA-N 454.471 4.730 5 1 JJBF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587140082 BLBBPLGIGKWCMK-MRXNPFEDSA-N 475.329 4.983 5 1 JJBF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149452 BIFFQMDBVHFEGM-QZTJIDSGSA-N 477.540 4.964 5 1 JJBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)c(Cl)c1)C2 473129082 FWECQHCUNDMYPD-HNNXBMFYSA-N 469.803 4.988 5 1 JJBF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586984142 JAFFIULFDXCOPM-QFIPXVFZSA-N 460.335 4.842 5 1 JJBF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(CCCC[C@@H]2c2sc([N+](=O)[O-])cc2[N+](=O)[O-])N1 962961759 HCGWQWFPWOHWRT-AZNYZMOJSA-N 487.868 4.648 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)N1 587675726 APBVLMBIUOLQBD-NIVTXAMTSA-N 486.135 4.819 5 1 JJBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 587871909 POEPRTSVDFHAJB-UHFFFAOYSA-N 463.469 4.546 5 1 JJBF O=[N+]([O-])c1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccc4c(c3)OCCO4)C2)cc1 1857772603 MPRRCMYBRNIYOA-OAQYLSRUSA-N 460.515 4.914 5 1 JJBF O=S(=O)(Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586951190 QJNYAQQQVIJIGD-UHFFFAOYSA-N 472.574 4.592 5 1 JJBF O=C(O)c1cc2[nH]c(C[S@](=O)CC3CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586958773 IODWLYDCGKNREM-PGUFJCEWSA-N 488.521 4.504 5 1 JJBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Br)c([N+](=O)[O-])cc12 587545988 NFRGHJZMISMYSE-KNQAVFIVSA-N 468.259 4.866 5 1 JJBF O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2nc3ccccc3c3ccccc23)CC1 1772652211 AYLAIGIYSVKLEI-UHFFFAOYSA-N 471.504 4.918 5 1 JJBF C[C@](O)(CSc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857609905 BDFKHTPDCUOAEX-INIZCTEOSA-N 484.374 4.994 5 1 JJBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN1CCCC1 4213052 FHNGHKLNVGZVNG-VXKWHMMOSA-N 464.994 4.864 5 1 JJBF O=S(=O)(O)c1ccc(-c2ccnc3c2ccc2c(-c4cccc(S(=O)(=O)O)c4)ccnc23)cc1 13543800 GTBSSZZGINYBDZ-UHFFFAOYSA-N 492.534 4.610 5 1 JJBF in-vitro C[C@@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c2c1 35079428 QBIPYNOGPAMZNY-GFCCVEGCSA-N 458.879 4.781 5 1 JJBF Cc1onc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080732 YBSMMXLONNHFAV-UHFFFAOYSA-N 464.869 4.912 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)cc(F)c2[nH]1 587261326 AZTGKVJHIGOBGL-SECBINFHSA-N 452.236 4.724 5 1 JJBF N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586978119 MBVLJBZRZGDIGE-JTQLQIEISA-N 490.539 4.598 5 1 JJBF C[C@@]1(CC(=O)Nc2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338558 CTKJZJZZIOIOFU-VWNXMTODSA-N 450.422 4.586 5 1 JJBF Cc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c([N+](=O)[O-])c1 587657324 UHLSEHNREUCKJA-AWEZNQCLSA-N 465.412 4.666 5 1 JJBF CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1Cl 1857591356 YKYYDVOMNMXOFY-NRFANRHFSA-N 496.944 4.766 5 1 JJBF NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 13878924 ATDUBCKOULIBLB-RUZDIDTESA-N 482.540 4.636 5 3 JJBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCc2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 169723570 HRKDEIBQPPISRN-IFMALSPDSA-N 470.909 4.655 5 1 JJBF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586936744 KAMWJUXEMOCZOO-CQSZACIVSA-N 487.763 4.563 5 1 JJBF Cc1sc2c(c1C)CCN[C@@]21CCCC(=O)[C@@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 963012923 ROGLHPKSVGOZNG-WIYYLYMNSA-N 466.481 4.885 5 1 JJBF Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)n1 13140328 MCIRLFAXLUNNCG-MRRJBJDNSA-N 463.581 4.609 5 1 JJBF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1nn(C)cc1[N+](=O)[O-] 587752081 QCNMJJBXNIXHIE-BIBXISHDSA-N 491.317 4.654 5 1 JJBF COc1cc(Nc2ncnc3c(NC(=O)Nc4ccc([N+](=O)[O-])cc4)cccc23)cc(OC)c1 1772616411 VVRKFOBRCCYQQD-UHFFFAOYSA-N 460.450 4.943 5 1 JJBF C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(I)c([N+](=O)[O-])c1 13740366 CPFHAWLKYQUCNB-XFPJRNFQSA-N 478.330 4.629 5 1 JJBF C[C@@](C(=O)O[C@H]1C[N+]2(CCCc3ccncc3)CCC1CC2)(c1cccs1)N1CCCCC1 73163078 LDMUCNIFYVJOTG-YPAULADPSA-N 468.687 4.629 5 1 JJBF O=C(NCC1CC1)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1 82135451 ISDWFTGBKRXQLG-UHFFFAOYSA-N 471.439 4.823 5 1 JJBF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82148972 SWYARPKGQLVPFH-ROUUACIJSA-N 451.571 4.939 5 1 JJBF COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587786919 HYFZIPFINZPXFU-UHFFFAOYSA-N 479.445 4.754 5 1 JJBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 587868156 HGMKMMKRSNHSJV-UHFFFAOYSA-N 488.378 4.741 5 1 JJBF COc1cccc(C(=O)COc2c(OC)ccc3c2c[n+]2c4c3ccc3c5c(cc(c34)CC2)OCO5)c1 1857538345 BYPYSELIZQYROK-UHFFFAOYSA-N 494.523 4.997 5 1 JJBF C[C@@H]1CN(c2cc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CCN1Cc1ccccc1 1857556783 WUGMIRJCPOAZDF-CQSZACIVSA-N 463.481 4.899 5 1 JJBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCN3C(=O)CS[C@H]3c3ccc[nH]3)c2c1 1857763775 GUKKVBWRZRWEPF-DEOSSOPVSA-N 466.994 4.876 5 1 JJBF O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 773449 UCAUYRDSEDDJPD-FUHWJXTLSA-N 459.861 4.743 5 1 JJBF COc1cc2oc3cc(OC)c(OC)c(/C=C/C(C)(C)O)c3c(=O)c2c(O)c1CC=C(C)C 14727641 SPRXFHBMQQEVDG-ZHACJKMWSA-N 454.519 4.970 5 1 JJBF endogenous,in-man COc1cc2c(=O)n(CCN(C)Cc3ccccc3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 28520528 VSRFWSKODMQGLJ-UHFFFAOYSA-N 497.551 4.581 5 1 JJBF Cn1c2n/c(=N\c3ccc(Cl)cc3)[n+]3ccc4ccccc4c3c-2c(O)n1-c1ccccc1 102923024 JHBWFURRDLGFEY-BYCLXTJYSA-O 452.925 4.799 5 1 JJBF O=C(c1ccc(I)cc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587646192 WNMXKSQWPAFQPZ-UHFFFAOYSA-N 460.149 4.931 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587750502 IGHKNRSTTQWSKM-GTJPDFRWSA-N 475.318 4.661 5 1 JJBF COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])[C@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962638250 KWCLHCOAAGJULA-GYSXSIKPSA-N 483.568 4.814 5 1 JJBF O=[N+]([O-])c1cccc(-c2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@H]2CCCCN2)c1 29415272 UHECQQOCZFEBTH-CQSZACIVSA-N 472.885 4.988 5 1 JJBF O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 767950 KQPVVTIAKVTCCK-GMAHTHKFSA-N 467.884 4.838 5 1 JJBF O=c1c2ccc(Cl)cc2oc2c(CNc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cccc12 5579228 ZFEZBTOWDVFBML-UHFFFAOYSA-N 492.944 4.803 5 1 JJBF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCC1CCCCC1 82082717 NPSFJVOCBBONSR-FQEVSTJZSA-N 459.568 4.986 5 1 JJBF O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 100706028 MHINPIJUBULNTO-UHFFFAOYSA-N 471.498 4.870 5 1 JJBF CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332248 FRHOKIKZVXTJTD-AZGAKELHSA-N 479.460 4.733 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC(C)C)c(C(=O)C(F)(F)F)c2c1 587618443 QAUIJIFSGBBOGE-UHFFFAOYSA-N 499.467 4.829 5 1 JJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(C)cnc(Cl)c2[nH]1 586948858 PKCHJHOYENPYQE-UHFFFAOYSA-N 457.899 4.604 5 1 JJBF O=C(c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1coc2cc([N+](=O)[O-])ccc12 587280278 QVVNYTRWJDRREH-UHFFFAOYSA-N 462.483 4.714 5 1 JJBF COc1c([N+](=O)[O-])ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC(F)F 587552573 ASIPTIGTGDWHHT-APWZRJJASA-N 459.357 4.613 5 1 JJBF COc1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587578729 XGJQEMKSIAKNGD-RDGATRHJSA-N 458.426 4.803 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2nn(C)cc2[N+](=O)[O-])N1 587754444 YPWPUWFIMKKYQP-WYRIXSBYSA-N 461.291 4.646 5 1 JJBF COc1ccccc1CNC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 775331 HEMWUUZBNMBROX-UHFFFAOYSA-N 491.431 4.723 5 1 JJBF Cc1cc(NC(=O)CSc2nc3ccc(Br)cc3c3nc4ccccc4n23)no1 9473206 NTMMJAJHLGVLPS-UHFFFAOYSA-N 468.336 4.825 5 1 JJBF CC(C)c1ccc2nc3ccc(C(=O)NCCN4CCC(c5ccccc5)CC4)cn3c(=O)c2c1 29395732 USSJKMRJUDSCEH-UHFFFAOYSA-N 468.601 4.581 5 1 JJBF O=C(O)c1cc2[nH]c(COC(F)(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 587124200 MDGHSENOXZDENY-UHFFFAOYSA-N 470.359 4.881 5 1 JJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587646880 ACWDWMLJWJDGSR-GMAHTHKFSA-N 471.425 4.843 5 1 JJBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(-c3ccc(Cl)cc3)c(CC3CCOCC3)nn12 1857594429 QZSVDNRYYHMCRY-UHFFFAOYSA-N 464.909 4.887 5 1 JJBF O=C(O[C@H]1C[N+]2(CCc3cccs3)CCC1CC2)C(O)(c1cccs1)c1cccs1 590396 NQAHVRYHYJXTML-MZXKRHHESA-N 460.666 4.502 5 1 JJBF CCCCN(CCCC)S(=O)(=O)c1cc([N+](=O)[O-])c(N(CCC)CCC)c([N+](=O)[O-])c1 29482053 JRKLIHUNLPVTRI-UHFFFAOYSA-N 458.581 4.720 5 1 JJBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCCCc2ccc(OC)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 169723582 OKKUKHGCYSTZHB-ILBGXUMGSA-N 494.544 4.791 5 1 JJBF O=[N+]([O-])c1cccc(S(=O)(=O)n2c(CCc3ccccn3)nc3cc(Cl)c(Cl)cc32)c1 26643176 VCOXVMRECHQJJH-UHFFFAOYSA-N 477.329 4.669 5 1 JJBF O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576127 MOVUEMXBOFDLOI-HOFKKMOUSA-N 481.416 4.884 5 1 JJBF CC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@]1(C)c2ccsc2CCN1Cc1ccco1 962701047 CRVNWFPAXPAZFB-OFNKIYASSA-N 469.519 4.879 5 1 JJBF COc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc2oc3cccc(OC)c3c(=O)c2c1O 1857653500 DOXYCJVEHJVUPE-UHFFFAOYSA-N 483.542 4.767 5 1 JJBF CCCc1nc2c(C)ccnc2n1Cc1ccc(O[C@@H](C(=O)O)c2ccccc2[N+](=O)[O-])cc1 29335389 NYULTYGJSFMOPN-HSZRJFAPSA-N 460.490 4.853 5 1 JJBF O=[N+]([O-])c1cc2nc(-c3ccc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)[nH]c2cc1[N+](=O)[O-] 587170362 ALWYBEHNPOARJJ-UHFFFAOYSA-N 491.844 4.640 5 1 JJBF CCCCCOc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br 587259637 GJKNGOGIOAHPSD-MELADBBJSA-N 452.349 4.555 5 1 JJBF COc1cc2c(=O)n(CCCN3CCCCC3)c3c4cc5c(cc4ccc3c2cc1OC)OCO5 1857750425 ZLVHIORXAPNNKT-UHFFFAOYSA-N 474.557 4.930 5 1 JJBF COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC 775527 UAHQBURYZWKURA-UHFFFAOYSA-N 471.485 4.676 5 1 JJBF CC(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)c2c(C)cccc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963905498 XUUKBTSLKPGHER-QFQXNSOFSA-N 482.533 4.762 5 1 JJBF CCCOc1cc2nc(-c3ccc(OCCOC)c([N+](=O)[O-])c3)[nH]c2cc1Br 587264842 KNSNHCBNZWGZOB-UHFFFAOYSA-N 450.289 4.715 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cccc(C)n3)c2c1 587620928 JFQPPSCBSPTYPY-UHFFFAOYSA-N 452.492 4.564 5 1 JJBF CNC(=O)c1ccc2[nH]c(-c3ccc(Oc4c([N+](=O)[O-])c(C)nn4-c4ccccc4)cc3)nc2c1 1772600048 HYKIPVYXJHYHMK-UHFFFAOYSA-N 468.473 4.784 5 1 JJBF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)N1 963226504 DWPKHEHTMPXFJP-URXFXBBRSA-N 486.440 4.532 5 1 JJBF CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@H]1c1c(Cl)cccc1Cl 1772624045 NLCHWBKNZBCLLQ-GOSISDBHSA-N 481.339 4.930 5 1 JJBF C[C@]1(c2cc(F)c([N+](=O)[O-])cc2Br)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962707882 YUXIJXXJBQMVIQ-PBHICJAKSA-N 495.198 4.517 5 1 JJBF C[C@@](O)(CSc1cc(C(F)(F)F)ccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857615705 DOYCDSAYUMGNRS-OAHLLOKOSA-N 469.363 4.509 5 1 JJBF CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1 95577628 BIAZRDQNRJRCRQ-UHFFFAOYSA-N 461.347 4.888 5 1 JJBF NC(=O)[C@@H]1CCCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82163668 OQNVPSXUTBWYCI-GOSISDBHSA-N 486.557 4.544 5 1 JJBF COc1cc(CCNc2ncc(-c3ncc(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1 82163736 PQQRURMJMKKJII-UHFFFAOYSA-N 461.478 4.687 5 1 JJBF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2NCCNc1ccc([N+](=O)[O-])cn1 299872410 KYMJWJCKOMPUHJ-XCVFGXLCSA-N 450.583 4.925 5 1 JJBF aggregator C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N)c([N+](=O)[O-])c2)N1 587749143 XLQGCXQQZYMHKA-XMHCIUCPSA-N 456.315 4.905 5 1 JJBF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 586943666 DEVQATRBBUHODQ-UHFFFAOYSA-N 485.594 4.909 5 1 JJBF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)O2 587372934 BSJFSUAMLLFGSP-HSZRJFAPSA-N 452.850 4.746 5 1 JJBF COc1cc(C(=O)Oc2ccccc2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1[N+](=O)[O-] 587389555 LPIZPGHNGAUMFW-VWLOTQADSA-N 462.458 4.594 5 1 JJBF N=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 98084539 SDDKPSGIKIFLGD-FJUUSQFESA-N 453.461 4.682 5 1 JJBF CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=S)S[C@@H](C[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1857768853 VNZUZDAOASLLJQ-JYJNAYRXSA-N 491.557 4.735 5 1 JJBF CCc1c(CCNCCCCCCNCCc2ccc([N+](=O)[O-])cc2)ccc(OC)c1OC 34276417 KHNCHBIMGOBZQG-UHFFFAOYSA-N 457.615 4.699 5 1 JJBF CCN(CC)CCNc1ccc2nc3c4ccccc4c(=O)n(CCc4ccc(OC)cc4)c3n2c1 103232349 ZIDWQBMSHGPWJJ-UHFFFAOYSA-N 483.616 4.807 5 1 JJBF Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)cc2)c(C)c1C 586951213 QXQCZZKDBINEJE-UHFFFAOYSA-N 465.535 4.876 5 1 JJBF Nc1cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)cc1N 587137203 SYKZKKBXBMXLAR-UHFFFAOYSA-N 496.454 4.815 5 1 JJBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccccc1OC 4275064 ZRAFWFWGMKMGRT-RPWUZVMVSA-N 483.521 4.662 5 1 JJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Cn1nc([N+](=O)[O-])cc1C 587859999 KXHSSASHGCTUGW-LLVKDONJSA-N 452.298 4.645 5 1 JJBF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OCCN(C)Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 100370083 UCNNFOLIPMLBKV-JRFDGAOCSA-N 479.533 4.518 5 3 JJBF investigational O=C(NCc1ccccc1F)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 775330 SPEUMECAGUHJBS-UHFFFAOYSA-N 479.395 4.854 5 1 JJBF Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4080299 SGDLOGBYNCKDQS-UNMCSNQZSA-N 485.327 4.892 5 1 JJBF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCC(F)F 587722473 YXZUMBHBHKCVKV-ZRNGKTOUSA-N 475.261 4.773 5 1 JJBF Cc1c([N+](=O)[O-])cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1[N+](=O)[O-] 587743210 CNWGUSMNRUPTAW-HOGDKLEQSA-N 452.280 4.819 5 1 JJBF C[C@@H](CS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857591865 YSPOIXKAQSWGFS-JTQLQIEISA-N 484.374 4.681 5 1 JJBF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccc(OC(F)(F)F)cc2)cc1 13584449 CPZFZLXENRAFKL-UHFFFAOYSA-N 461.425 4.974 5 1 JJBF COc1ccccc1CCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 82135817 OOJZHRPETXMBRO-KDURUIRLSA-N 489.576 4.833 5 1 JJBF CCOC(=O)C1=C(C)N(c2ccccc2[N+](=O)[O-])C(C)=C(C(=O)OCC)C1c1ccc2c(c1)OCO2 96917933 YKXUEPVXVBTQGG-UHFFFAOYSA-N 494.500 4.602 5 1 JJBF C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCCCCCCCC(=O)O1 103218228 SCZWTBHMXIPYJL-MOPGFXCFSA-N 454.589 4.868 5 1 JJBF O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 775035 ZBIFDCUKQSWLGR-FUHWJXTLSA-N 459.861 4.743 5 1 JJBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586949421 WCPJSFZFKQOOQL-UHFFFAOYSA-N 487.881 4.809 5 1 JJBF Cc1nc2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2cc1Br 587056855 VDWOXRJSWCMSHH-OAHLLOKOSA-N 466.723 4.718 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1ccccc1[N+](=O)[O-])N1CCC2CC1 587749864 ZVDKIMGOSDTOLM-ONXWWQISSA-N 472.358 4.993 5 1 JJBF COc1ccc(-c2cc(O)n(-c3cccc(Br)c3[N+](=O)[O-])c2O)cc1Br 587936190 GXIGFTNWLOYWHC-UHFFFAOYSA-N 484.100 4.997 5 1 JJBF Cc1cc([N+](=O)[O-])cnc1NCCNc1ncc(-n2ccnc2)c(-c2ccc(Cl)cc2Cl)n1 1772631558 FAWLBNQSAYCFMY-UHFFFAOYSA-N 485.335 4.772 5 1 JJBF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc([N+](=O)[O-])c1 82134603 FIWZHSIRDTUXPE-IERDGZPVSA-N 489.532 4.701 5 1 JJBF C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCCCCCCCC(=O)O1 103218223 SCZWTBHMXIPYJL-RTBURBONSA-N 454.589 4.868 5 1 JJBF COCCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986921 HOLZGBALVHWDRC-STZFKDTASA-N 496.475 4.790 5 1 JJBF Cc1c([N+](=O)[O-])cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1[N+](=O)[O-] 587743212 CNWGUSMNRUPTAW-UGZDLDLSSA-N 452.280 4.819 5 1 JJBF Cc1nn(Cc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c(C)c1[N+](=O)[O-] 587748460 UWDVQPUHFLCIFQ-DGIBIBHMSA-N 463.307 4.575 5 1 JJBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587054882 MREVWXQPDMSPTO-CQSZACIVSA-N 496.705 4.922 5 1 JJBF COc1cc2c(cc1OC)[C@@H](c1ccc3ncccc3c1[N+](=O)[O-])N(C(=O)c1ccccc1N)CC2 963160113 WVIVGKDSSHQZOZ-RUZDIDTESA-N 484.512 4.530 5 1 JJBF NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1 254017887 PLBPJLPIDAWWPE-NGFPJLIYSA-N 486.572 4.624 5 3 JJBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]12CCCC[C@@H]2c1ccc([N+](=O)[O-])cc1 963140239 JQAVPENMEIPMFJ-QSAZIKIQSA-N 473.551 4.851 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 587754412 YLULZSQJPUXYPG-BGJPBQGDSA-N 483.293 4.573 5 1 JJBF Cc1ncc([N+](=O)[O-])n1CCCCCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1 1857756509 XHHHAYIMZQTNNY-UHFFFAOYSA-N 456.978 4.684 5 1 JJBF CCN1CCN(c2cnc3cc(NCc4cccc([N+](=O)[O-])c4)cc(C(F)(F)F)c3c2)CC1 71296768 YYYXQCBDERADGJ-UHFFFAOYSA-N 459.472 4.916 5 1 JJBF COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587388601 DMCQQMKLFPRFDW-HSZRJFAPSA-N 462.458 4.558 5 1 JJBF COCc1c(-c2ccc(F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587621514 VENJBKIZOOMANV-UHFFFAOYSA-N 485.493 4.838 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587754309 XYWBHAYCWIOLJD-QKVFXAPYSA-N 475.318 4.661 5 1 JJBF O=C(NCc1ccccc1Cl)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135774 SYWUMBLFVMRQMD-UHFFFAOYSA-N 451.914 4.626 5 1 JJBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCC(C(=O)OCC)CC3)c([N+](=O)[O-])c1)CC2=O 587472523 JDGRGOSLFCXZKG-HHHXNRCGSA-N 496.560 4.913 5 1 JJBF O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4049962 YQPZFUXNCUOVEM-GGAORHGYSA-N 467.884 4.838 5 1 JJBF CCSc1nc2cc(S(=O)(=O)NCc3ccc([N+](=O)[O-])cc3)ccc2n1Cc1ccccc1 28348717 VJXQHGIFZAOUNI-UHFFFAOYSA-N 482.587 4.583 5 1 JJBF CC1(C)CC(/C=C/c2ccc3ccc4cccc5ccc2c3c45)=[N+]([O-])[C@H]1OCCN(CCO)CCO 95582776 JMJWWTJBTCAYRF-CRAHCDMOSA-N 486.612 4.608 5 1 JJBF CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 586997922 WPEOVJNSPOFGRK-OAHLLOKOSA-N 475.343 4.912 5 1 JJBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586998003 GBPSIPWUELBJOD-DAFODLJHSA-N 467.073 4.895 5 1 JJBF COc1cc(C(=O)Oc2ccccc2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1[N+](=O)[O-] 587389550 LPIZPGHNGAUMFW-RUZDIDTESA-N 462.458 4.594 5 1 JJBF CCc1c(-c2ccccn2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587620962 LDMCXAVBTDHMOE-UHFFFAOYSA-N 452.492 4.510 5 1 JJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)/C(=C/c1ccccc1[N+](=O)[O-])NC(C)=O 587865828 KWHCECRQLIFLAZ-UNOMPAQXSA-N 488.422 4.693 5 1 JJBF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 963178296 JLMYZSTYEDGYNF-NHYWBVRUSA-N 468.737 4.974 5 1 JJBF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2C2(CCN(c3ccc([N+](=O)[O-])cc3F)CC2)N1 963181786 RGGQPWYTKUODKF-KRWDZBQOSA-N 487.837 4.501 5 1 JJBF CCCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 28757997 YCHVCMSUKVFUIE-UHFFFAOYSA-N 481.516 4.543 5 1 JJBF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586939548 WBTXXPKTGPSLDQ-QFIPXVFZSA-N 465.966 4.988 5 1 JJBF COc1cc(C=O)ccc1Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587649924 DXXKBZAGRDREAA-UHFFFAOYSA-N 466.471 4.760 5 1 JJBF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@]1(CCc3cc([N+](=O)[O-])ccc31)N2C(=O)OC(C)(C)C 962709100 MTQVGJPDGMQSQV-CLJLJLNGSA-N 482.508 4.575 5 1 JJBF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82134728 SXVBYSYPOAUJBF-ROUUACIJSA-N 451.571 4.844 5 1 JJBF O=[N+]([O-])c1cc(Br)cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 586961928 ZEWONHHBNGASBV-RUZDIDTESA-N 487.173 4.737 5 1 JJBF Cc1cc2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c2cc1[N+](=O)[O-] 587130810 SGZZXWQNADBNAI-UHFFFAOYSA-N 450.405 4.997 5 1 JJBF CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549392 ZUUQSANEYSRKSZ-QPPBQGQZSA-N 483.860 4.764 5 1 JJBF COc1ccc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 587745930 IMSIXOFLYOCGRE-LAJNKCICSA-N 460.303 4.919 5 1 JJBF COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)O2 26474747 OASYWNFOHKQIGI-KAYWLYCHSA-N 489.524 4.560 5 1 JJBF biogenic O=C(O)c1ccc2oc3ccc(OC[C@H](O)CSc4ccc(Cl)cc4)cc3c(=O)c2c1 169321926 ZANVPUPFUYOHHC-HNNXBMFYSA-N 456.903 4.830 5 1 JJBF COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCn1ccnc1[N+](=O)[O-] 299822415 ORQCPZXOXGFXMU-UHFFFAOYSA-N 499.325 4.718 5 1 JJBF Cc1cc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc2cc1[N+](=O)[O-] 586956227 AGMMCDGDTUSICW-UHFFFAOYSA-N 468.922 4.851 5 1 JJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1F 587139870 QSGRUKZNMVPMJM-UHFFFAOYSA-N 450.449 4.851 5 1 JJBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587267690 PCCKNABPKDVJII-LLVKDONJSA-N 476.390 4.996 5 1 JJBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)N1 587749197 CLWZSQJVTAYPIW-QKFKETGDSA-N 481.325 4.970 5 1 JJBF COc1ccc2c(c1OC)[C@@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1F)N(C)[C@H](C)C2 962615707 AFUFYGGBLDCCCX-BZQUYTCOSA-N 451.498 4.502 5 1 JJBF CCCCNC[C@@H](O)COc1cc(OCc2ccccc2)c2c(=O)c3cccc(OC)c3oc2c1 1772603327 NTEAKDUPEHEKIV-HXUWFJFHSA-N 477.557 4.663 5 1 JJBF Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc([N+](=O)[O-])cc5[nH]4)c3n2)cnn1C 587130234 QELTZUNJKHLTAX-UHFFFAOYSA-N 478.463 4.788 5 1 JJBF O=C(O[C@H]1C[N+]2(CCCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1857612917 MASSECXUPYPQEW-KCTUUFLGSA-N 486.632 4.934 5 1 JJBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccccc1OC 4275067 UMVQQDLMVWTSTE-JWQCQUIFSA-N 499.564 4.951 5 1 JJBF O=C(c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCC1 82135498 KRYHZTJNUDXYSG-UHFFFAOYSA-N 451.914 4.596 5 1 JJBF COc1ccccc1CCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 82135819 OOJZHRPETXMBRO-OALUTQOASA-N 489.576 4.833 5 1 JJBF COc1c(OC(F)F)ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1[N+](=O)[O-] 587552558 AMOXOVYIFYSZEO-OXJNMPFZSA-N 459.357 4.613 5 1 JJBF O=C(c1cc(N2CCCCC2)ccc1[N+](=O)[O-])n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656702 LADDADMNQGVABN-UHFFFAOYSA-N 490.466 4.929 5 1 JJBF CCN(CC)c1ccc(-c2nn(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 587667109 GXXSKAKGLFCBKC-UHFFFAOYSA-N 473.489 4.604 5 1 JJBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 963134631 BATQAQVADMUUCI-YJBOKZPZSA-N 471.491 4.647 5 1 JJBF CC(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)c2c(C)cccc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963905500 XUUKBTSLKPGHER-RLWLMLJZSA-N 482.533 4.762 5 1 JJBF O=C(/C=C/c1ccc(-c2c[nH]cn2)cc1)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1 45287554 GCPFGFXUTLVIFY-KGVSQERTSA-N 466.457 4.891 5 1 JJBF CCOC(=O)C[C@@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587377350 WOAGKNHFBMNULD-HXUWFJFHSA-N 453.278 4.606 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn2C)N1 587748668 BAMDAQAUVOYBIZ-QKVFXAPYSA-N 472.314 4.690 5 1 JJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 587866350 YPJSYQRKYYKZEP-UHFFFAOYSA-N 485.422 4.809 5 1 JJBF Cc1ccc([N+](=O)[O-])c(O[C@@H](CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 28334059 ZUZLFJYQRAAUJT-QHCPKHFHSA-N 452.555 4.677 5 1 JJBF COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O[C@H](C)c1ccc([N+](=O)[O-])o1 1772616754 JVQVLEIOTWAUMI-CYBMUJFWSA-N 457.435 4.593 5 1 JJBF CC(=O)c1ccc(OC(C)(C)[C@H]2OC[C@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 27748715 DKANVOYVQMYLKY-PLVYOWNPSA-N 498.532 4.891 5 1 JJBF CCS(=O)(=O)Nc1ccc(N=c2c3ccccc3n(C)c3ccc(Cl)cc23)c(OC)c1 378063471 FKERVLNJEXDSCE-UHFFFAOYSA-N 455.967 4.988 5 1 JJBF COc1ccc2c(C)c(CCc3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c(=O)oc2c1C 586917094 DLHJFRYIDRTHDA-UHFFFAOYSA-N 472.295 4.751 5 1 JJBF CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549397 ZUUQSANEYSRKSZ-URXFXBBRSA-N 483.860 4.764 5 1 JJBF Cc1cccc(N2CCN(C(=O)c3ccc(SCc4cccnc4)c([N+](=O)[O-])c3)C[C@H]2C)c1 34861390 NYEFFQCSLXMNCZ-LJQANCHMSA-N 462.575 4.941 5 1 JJBF CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C[C@H]4CO4)CCC[C@]3(C)[C@H]2CC1 299841356 ZJYYTABHXNZXLL-DHVVOBKPSA-N 460.679 4.501 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc([N+](=O)[O-])cn3ccnc23)N1 587751480 MYACWHISUKAXJG-LFVRLGFBSA-N 481.325 4.970 5 1 JJBF O=C([C@@H]1Cc2ccccc2[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)n3ccccc23)N1)C(F)(F)F 962762520 JJPPMHVUMLIIAQ-ICSRJNTNSA-N 466.419 4.645 5 1 JJBF Cc1ccc(CNc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 82149748 FTSSUIFBEDFCHA-UHFFFAOYSA-N 475.480 4.677 5 1 JJBF CC[C@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)n1cc(I)c(C)n1 587184083 CXEHZLLJIUCKEQ-LJQANCHMSA-N 468.302 4.768 5 1 JJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(F)cc1[N+](=O)[O-] 587558118 QFLRKKXJYSQBDI-PXNSSMCTSA-N 460.211 4.905 5 1 JJBF COc1cc(-n2cnc3cc(-c4ccc([N+](=O)[O-])cc4)sc3c2=O)ccc1OCCN1CCCC1 40567115 IBXJGIQBCPHCPS-UHFFFAOYSA-N 492.557 4.506 5 1 JJBF O=C(NCc1ccc2c(c1)OCO2)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135263 JFERKAAVBOGHQV-UHFFFAOYSA-N 489.532 4.703 5 1 JJBF COc1ccc(NC(=O)C2CCN(C(=O)[C@@H](C)c3ccc(CC(C)C)cc3)CC2)c([N+](=O)[O-])c1 653759951 KKEWVQGGOXZNCE-SFHVURJKSA-N 467.566 4.783 5 1 JJBF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(CCCC[C@H]2c2sc([N+](=O)[O-])cc2[N+](=O)[O-])N1 962961775 HCGWQWFPWOHWRT-DDIXBURBSA-N 487.868 4.648 5 1 JJBF O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccsc1)c1ccsc1 43060399 VUHTYJDJRISPLZ-OTBAGVBSSA-N 484.663 4.667 5 1 JJBF CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)N(CCCN(C)Cc2ccccc2)C(S)=N1 102196393 WSQJYNFXVJAZFY-XMMPIXPASA-N 496.633 4.985 5 1 JJBF COC(=O)c1cc(Br)c2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c1 587110041 QWZLFZGDMXLBAB-UHFFFAOYSA-N 458.190 4.630 5 1 JJBF O=[N+]([O-])c1ccc(OCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1F 587148988 NYVYYUONLKDLSV-UHFFFAOYSA-N 476.873 4.643 5 1 JJBF COCCNc1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] 587261542 DBLLREGQKKLSKI-UHFFFAOYSA-N 459.222 4.978 5 1 JJBF CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccc(F)cc1)(c1ccc(Cl)c([N+](=O)[O-])c1)NCC2 962926371 BSIZSFRSANOMRC-XMMPIXPASA-N 453.901 4.527 5 1 JJBF COc1cccc2cc3c(nc12)[C@](C[C@H]1CC[C@H](C(=O)O)CC1)(c1cccc([N+](=O)[O-])c1)NCC3 963057164 MFYIFULDMHQKPN-VFUKXHBFSA-N 475.545 4.822 5 1 JJBF CCOc1ccccc1N1CCN(CCCCc2cc(-c3cccc([N+](=O)[O-])c3)no2)CC1 13441313 QDWOSBADSCWLQX-UHFFFAOYSA-N 450.539 4.793 5 1 JJBF NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N[C@@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 102820739 PLBPJLPIDAWWPE-DWEPYNOVSA-N 486.572 4.624 5 1 JJBF CCCCOC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1NCc1ccc(OC)cc1 653697104 NZTDWHFUCHYGAK-UHFFFAOYSA-N 491.544 4.642 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577729 ONPWCOSLQAELSK-RDGATRHJSA-N 473.441 4.545 5 1 JJBF CCOc1ccc(-c2nn(C(=O)c3ccc([N+](=O)[O-])c(C)c3)c(=O)c3ccccc23)cc1OCC 587670382 WKIDLDYBGBWYBT-UHFFFAOYSA-N 473.485 4.766 5 1 JJBF CN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(Nc4ccc(Cl)c(Cl)c4)n3)cc2)CC1 64504168 ZBBHXMABZHCPFY-UHFFFAOYSA-N 474.352 4.931 5 1 JJBF 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CC[C@H](C)NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 82135879 FGXMJNCMKBNHBD-HNNXBMFYSA-N 453.930 4.888 5 1 JJBF CC(C)[C@](C)(O)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586888651 LNOJTCQAPJAYKO-SANMLTNESA-N 458.470 4.708 5 1 JJBF CN(C(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1 82148754 HESKYLTWDWVWHR-UHFFFAOYSA-N 489.532 4.797 5 1 JJBF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 586946617 SDBVSJMTMXYPSH-UHFFFAOYSA-N 477.596 4.928 5 1 JJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587170476 DRXVVCFOYGBBJB-UHFFFAOYSA-N 491.298 4.841 5 1 JJBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587266866 BQPMJPNCLKZKOO-CYBMUJFWSA-N 456.300 4.927 5 1 JJBF COC(=O)c1ccc(Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])c(OC)c1 587389976 OLCZUQCHNIVGDM-QFIPXVFZSA-N 478.457 4.779 5 1 JJBF COC(=O)c1ccc(Oc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])cc1 587434479 WCVPIUULXBNJLQ-KOSHJBKYSA-N 461.426 4.671 5 1 JJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](CC)n1nc([N+](=O)[O-])cc1C 587860317 QSMNGIIRCKLPSV-INIZCTEOSA-N 452.298 4.960 5 1 JJBF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](c2cccc([N+](=O)[O-])c2)(c2ccccn2)N1 963193217 ZAADKKITEDOSEY-KKSFZXQISA-N 477.826 4.553 5 1 JJBF CCCCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084552 BPLGUSAXEONLPX-HXUWFJFHSA-N 498.630 4.666 5 1 JJBF O=C1CC2(Oc3c1ccc1c3CCCC1)c1c(cccc1[N+](=O)[O-])C(=O)c1cccc([N+](=O)[O-])c12 587511525 HGRPAWBFELXOFC-UHFFFAOYSA-N 470.437 4.835 5 1 JJBF O=C(O)c1cc2[nH]c([C@H](O)c3cccc(O)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586891991 QOFYZFNICWPJII-AREMUKBSSA-N 494.459 4.632 5 1 JJBF COc1cc2c3c(c1)O[C@@](Cc1ccc(C)cc1)(Cc1cc(OC)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587432705 KYDBKTYAUZJPGQ-DCFHFQCYSA-N 475.497 4.598 5 1 JJBF O=[N+]([O-])c1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)ccc1Sc1nc2ccccc2s1 587036828 AQXVSCVEKXTMJG-UHFFFAOYSA-N 472.515 4.875 5 1 JJBF 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COc1cc2c(cc1CCC(=O)N(C)C)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 29125795 AGRVZUBNGZHHLY-UHFFFAOYSA-N 490.516 4.609 5 1 JJBF CCCCOCCCNC(=O)c1ccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1 82081726 XLXVCDXANPAVRI-UHFFFAOYSA-N 496.589 4.585 5 1 JJBF O=C(NCc1ccccc1C(F)(F)F)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134509 WQYOPBUOTYRMPM-UHFFFAOYSA-N 485.466 4.991 5 1 JJBF COc1cc2c(cc1OC)[C@](c1ccc([N+](=O)[O-])o1)(c1c(C)c(C=O)c3ccccn13)N(C)[C@@H](C)C2 962574289 UCPNCQXFGAJZRC-OQRWROFFSA-N 489.528 4.747 5 1 JJBF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)C(=O)OC2 586914854 CQOBJHACODDZKF-WCIBSUBMSA-N 471.897 4.939 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3nn(C)cc3[N+](=O)[O-])cc2)N1 587752848 SZTCJJPXDDQSGT-WLRWDXFRSA-N 461.291 4.646 5 1 JJBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1C[C@H](c1cccc(Br)c1)N(C)C 587939228 JHNULTUSNASWCO-KBXCAEBGSA-N 454.365 4.689 5 1 JJBF C[N+](C)(C)CCCC(=O)Oc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O 2007859 YVWHFVWUBKUSOG-UHFFFAOYSA-N 498.909 4.616 5 1 JJBF CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587239664 MYPINEGZLRXFCU-DBLBYYFGSA-N 450.923 4.680 5 1 JJBF COC(=O)c1ccccc1Oc1ccc([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1[N+](=O)[O-] 963613170 UDYFRRSPDYFWOA-MQNRADLISA-N 478.501 4.815 5 1 JJBF O=C(NCc1ccccc1)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1 82216988 DIRDWRWQWQJJAK-UHFFFAOYSA-N 471.492 4.776 5 1 JJBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587158778 IOOKYGVYHHCWCB-UHFFFAOYSA-N 476.873 4.643 5 1 JJBF CCOC(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345571 ZZSUHRCELXCGCV-UKILVPOCSA-N 465.433 4.647 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587576673 KCIZMZCDAOIHAI-RDGATRHJSA-N 473.441 4.545 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(Br)c([N+](=O)[O-])cc32)N1 587685100 XKXMEJXAICOTDA-DYBLOJMWSA-N 470.136 4.983 5 1 JJBF CCCc1c(O)ccc2c1O[C@](c1ccc(NC)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)CC2=O 587472545 JMMJWZMAFXNSGY-AREMUKBSSA-N 476.485 4.902 5 1 JJBF COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587747465 OAUAYRUOUZHAQO-RLHBVLGPSA-N 463.303 4.502 5 1 JJBF CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587747933 QYJAMSIIJKPYIL-SBOBAANCSA-N 494.317 4.602 5 1 JJBF O=[N+]([O-])c1cccc(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)c1 1857610734 LGJPAJXFPDTUJN-UHFFFAOYSA-N 451.474 4.781 5 1 JJBF COc1cc([N+](=O)[O-])ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 45291122 BCCAOEMMLTWKQG-UHFFFAOYSA-N 477.930 4.716 5 1 JJBF COCCNc1ccc(-c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)cc1[N+](=O)[O-] 587262393 UCNBYSFUEGHRKE-UHFFFAOYSA-N 486.488 4.922 5 1 JJBF CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549402 ZUUQSANEYSRKSZ-ZJSXRUAMSA-N 483.860 4.764 5 1 JJBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587946870 ZNNPPVBIMFZBTF-LJQANCHMSA-N 454.458 4.640 5 1 JJBF CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2Cc2ccccc21 40866321 QBADAHRHGKRIFZ-UHFFFAOYSA-N 498.627 4.692 5 1 JJBF COCCNc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] 587261686 GMTDOUNMAOBGMZ-UHFFFAOYSA-N 475.221 4.858 5 1 JJBF C[C@@](O)(CSc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 35259887 QHSRUIJOZMMVGW-MRXNPFEDSA-N 479.274 4.858 5 1 JJBF CS(=O)(=O)c1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl 586928202 ZBBJGXSUQVBJHS-UHFFFAOYSA-N 465.112 4.611 5 1 JJBF O=c1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587054899 JGVOMYTWALTEQM-UHFFFAOYSA-N 460.233 4.563 5 1 JJBF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)s2)N1 963233078 SYTBHSNQSBXYOW-WMZHIEFXSA-N 465.918 4.749 5 1 JJBF O=C(CN1C=C[C](Cc2ccc([N+](=O)[O-])cc2)C=C1)c1ccc(I)cc1 2356837457 AMGHJCOWZCFESV-UHFFFAOYSA-N 459.263 4.542 5 1 JJBF O=[N+]([O-])c1ccc(-c2csc3ncnc(N4CCC(COCCN5CCCC5)CC4)c23)cc1 146538595 LUVXOPFKBCEBIL-UHFFFAOYSA-N 467.595 4.595 5 1 JJBF COc1cccc(CN2CCN(CCCCOc3ccc4c(c3)oc(=O)c3ccccc34)CC2)c1 222002494 INQSWFRTCVMRBK-UHFFFAOYSA-N 472.585 4.932 5 1 JJBF O=C1C[C@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587510549 LKHGJEIYVYWLRM-NDEPHWFRSA-N 482.492 4.631 5 1 JJBF C[C@]1(c2cc(Br)ccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540519 PEGRXYODDSCZEG-GHTZIAJQSA-N 456.248 4.940 5 1 JJBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Br)c([N+](=O)[O-])cc12 587545989 NFRGHJZMISMYSE-SIKLNZKXSA-N 468.259 4.866 5 1 JJBF CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863402 ILLYTFSSOYBROM-UHFFFAOYSA-N 498.483 4.505 5 1 JJBF COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCc3ccc(F)cc3)n2)cc1[N+](=O)[O-] 82195343 KLJVSAYTFYLSCB-KRWDZBQOSA-N 490.582 4.716 5 1 JJBF O=[N+]([O-])c1cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2cc1Cl 586955037 SEHJBFLXUJWYCJ-UHFFFAOYSA-N 470.938 4.846 5 1 JJBF O=[N+]([O-])c1cc(Br)cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 586961929 ZEWONHHBNGASBV-VWLOTQADSA-N 487.173 4.737 5 1 JJBF Cc1cccc2c1[C@H](c1cc(F)c([N+](=O)[O-])c(F)c1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863068 NFMBDDQYMDVNNY-QRWLVFNGSA-N 462.449 4.907 5 1 JJBF Cc1cc(C)c2nc(C3CC3)n(Cc3ccc4c(-c5nnn[nH]5)cc5ccccc5c(=O)c4c3)c2n1 13742159 YWKUKFDZXDRJAH-UHFFFAOYSA-N 473.540 4.821 5 1 JJBF COC(=O)CCc1cc2c(cc1OC)NC(=O)c1ccc(-c3ccc([N+](=O)[O-])c(OC)c3)cc1N2 29125855 YSIGYOAWMHUBHA-UHFFFAOYSA-N 477.473 4.694 5 1 JJBF CC1CCN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82135780 CHMHVYZBTIPNFU-UHFFFAOYSA-N 465.941 4.872 5 1 JJBF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587238068 AMSZOOPIVPNTGA-KAJFERSBSA-N 495.374 4.789 5 1 JJBF CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC(c1ccccc1)c1ccccc1 40913362 ZKSPWTXSXSXFPO-UHFFFAOYSA-N 486.616 4.788 5 1 JJBF COCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163896 DVVGEDVLVXTINJ-UHFFFAOYSA-N 463.519 4.909 5 1 JJBF COc1cc2nc(Nc3cccc([N+](=O)[O-])c3)nc(Nc3cccc([N+](=O)[O-])c3)c2cc1OC 103256194 RDSLRMHRPRDADA-UHFFFAOYSA-N 462.422 4.951 5 1 JJBF COc1c([N+](=O)[O-])ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC(F)F 587720766 UQFBGXUAWWBGJI-VXJOIVPMSA-N 461.234 4.730 5 1 JJBF CCNC(=O)c1cc(-c2ccc3ccc4ccccc4c3c2)n(-c2ccc(NC(=O)CCN)cc2)n1 72119594 ZVKVMDIHSYKXRQ-UHFFFAOYSA-N 477.568 4.883 5 1 JJBF Cc1cc(Cl)cc([N+](=O)[O-])c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl 103287011 OVVRSPRBURPODC-UHFFFAOYSA-N 471.098 4.806 5 1 JJBF O=[N+]([O-])c1cc(Br)cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 586945239 BVDNMLBNZMVRSO-UHFFFAOYSA-N 499.393 4.502 5 1 JJBF O=C1c2ccc(Br)cc2[C@](O)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 117282457 OLXCQFXLEHKPGT-OAQYLSRUSA-N 473.710 4.860 5 1 JJBF CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3sc(-c4ccc([N+](=O)[O-])cc4)c(C)c23)C1=O 138824832 MHQJUGVMKPVCDZ-UHFFFAOYSA-N 477.527 4.945 5 1 JJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCn3nc(C)c([N+](=O)[O-])c3C)c(OC)c1)CC2=O 587472774 MULNJPPTUWGANW-JOCHJYFZSA-N 481.505 4.818 5 1 JJBF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1nn(C)cc1[N+](=O)[O-] 587752088 QCNMJJBXNIXHIE-PRWKNARSSA-N 491.317 4.654 5 1 JJBF O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586999038 SOBUNTMTGILSMZ-OWOJBTEDSA-N 467.073 4.895 5 1 JJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587647580 JIIOHNXBOKVHFK-PKTZIBPZSA-N 471.425 4.843 5 1 JJBF C[C@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)n1cc([N+](=O)[O-])cn1 587276308 KJGXMEUKDNSZIH-SNVBAGLBSA-N 462.363 4.687 5 1 JJBF O=[N+]([O-])c1ccc(S(=O)(=O)n2c(CCc3ccccn3)nc3cc(Cl)c(Cl)cc32)cc1 26505721 IMVARIHUTSJODK-UHFFFAOYSA-N 477.329 4.669 5 1 JJBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Cl 586957830 FIPYTAKKIXDZDK-MJWYBRSISA-N 460.943 4.819 5 1 JJBF Cn1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575699 KIROIVHDOQQWQN-NVQXNPDNSA-N 470.437 4.573 5 1 JJBF CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 4036644 KZJMSTCPBKOGRQ-NOZRDPDXSA-N 492.963 4.983 5 1 JJBF COCCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 82135952 FCHNQYJAZYVKDM-UHFFFAOYSA-N 463.538 4.551 5 1 JJBF COc1cccc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)c(Cc3ccc4c(c3)OCO4)c2O)c1 100858189 SHEWPXLNDFVOCY-UHFFFAOYSA-N 459.458 4.540 5 1 JJBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCCCc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 169723577 NUVCGNYKSUFXRR-UPVQGACJSA-N 464.518 4.782 5 1 JJBF COCCOc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1[N+](=O)[O-] 587264265 FPDGKBCDSDPHRC-UHFFFAOYSA-N 471.105 4.688 5 1 JJBF COc1cc2c3c(c1)O[C@]1(C(c4ccc([N+](=O)[O-])cc4)=C(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587434680 YJBKTVIAUKKXML-FNZWTVRRSA-N 457.438 4.776 5 1 JJBF O=C(O)Cn1c(Cc2ccccc2)nc2c(-c3ccc(Cl)cc3)nc3ccccc3c2c1=O 1857630068 IZNFFJMRVRTSBM-UHFFFAOYSA-N 455.901 4.941 5 1 JJBF O=P(O)(O)OC[N+]1(C/C=C/c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 3923542 MPBQTRIZAVVVNY-JLHYYAGUSA-O 479.537 4.689 5 1 JJBF N=C(N)Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3c(I)c2O)cc1 26160589 CMNQRWIDOWCLAC-UHFFFAOYSA-N 496.308 4.861 5 1 JJBF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)ccc1Cl 586963337 IBLALCBUOIYBQA-UHFFFAOYSA-N 477.333 4.909 5 1 JJBF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587112466 KEIGGDYSHYKQMC-QGZVFWFLSA-N 471.233 4.652 5 1 JJBF Cc1cc(C)cc(S(=O)(=O)n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc3ccccc32)c1 103261706 DTTNFSKBYCHCDE-UHFFFAOYSA-N 496.570 4.529 5 1 JJBF CS(=O)(=O)c1ccc2cc([C@H](O)C[C@@H]3CCCCN3)c3ccc(C(F)(F)F)cc3c2c1 169339435 FTVGFDBBBXJAAM-KSFYIVLOSA-N 451.510 4.981 5 1 JJBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(F)c(Br)c2[nH]1 587264429 RNYXLZIWWKEVBD-VIFPVBQESA-N 452.236 4.724 5 1 JJBF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC(F)F 587556314 OABQPNQSYRFGTB-NQIIRXRSSA-N 459.357 4.613 5 1 JJBF O=C(O)c1cccc2c1-c1ccc([N+](=O)[O-])cc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576130 MOVUEMXBOFDLOI-KCWPFWIISA-N 481.416 4.884 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC(=O)C(F)(F)F)c(C(C)C)c2c1 587619108 ZQDSQDUXMHTXSN-UHFFFAOYSA-N 499.467 4.683 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cc(C)ccn3)c2c1 587620812 HMQGWQXCWJWXJZ-UHFFFAOYSA-N 452.492 4.564 5 1 JJBF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587002185 KCUUXPRBXBYRLO-LBPRGKRZSA-N 479.132 4.720 5 1 JJBF CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587073039 DHYMUKMLAWBDFD-QFIPXVFZSA-N 457.918 4.988 5 1 JJBF O=C(Nc1cc(Sc2ncnc3nc[nH]c23)c(O)c2ccccc12)c1ccccc1[N+](=O)[O-] 96922661 VSPLETSPJXXMJS-UHFFFAOYSA-N 458.459 4.523 5 1 JJBF O=C(COc1ccc2c(=O)c3ccccc3oc2c1)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 103228926 BBZNRHRAGTVUSZ-IZLXSDGUSA-N 465.505 4.916 5 1 JJBF N=C=C(C(=N)Sc1ccccc1N)c1cccc([C@H](O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 169718000 GSWNOYJONWBEHP-NRFANRHFSA-N 463.475 4.568 5 1 JJBF CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C[C@@H]4CO4)CCC[C@]3(C)[C@H]2CC1 299841357 ZJYYTABHXNZXLL-NQESLZPDSA-N 460.679 4.501 5 1 JJBF CN(C)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c2ccccc21 13758044 XZKOBCVRTHCGDQ-JOCHJYFZSA-N 458.518 4.890 5 1 JJBF O=C(NCC1CC1)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1ccc([N+](=O)[O-])cc1 82149190 FMYDEQFWUUJFOP-UHFFFAOYSA-N 471.439 4.823 5 1 JJBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(I)cc2[nH]1 587056056 SHTVZSLYQSCCLV-INIZCTEOSA-N 498.708 4.856 5 1 JJBF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc([N+](=O)[O-])c21 587573382 BKYSQVAUNPEWGB-HOFKKMOUSA-N 465.417 4.750 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3nc(C)c(Cl)c3C)c2c1 587617242 CFVAGVQMJVQSQH-UHFFFAOYSA-N 489.941 4.650 5 1 JJBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C 587860579 XVBUWBULLBRORU-UHFFFAOYSA-N 452.298 4.708 5 1 JJBF CCCCOc1ccc(C[N@@+]2(C)[C@H]3CC[C@@H]2C[C@@H](OC(=O)[C@@H](CO)c2ccccc2)C3)cc1 254085946 ALVDDLOWVXJXCD-NSZWWNRUSA-N 452.615 4.825 5 1 JJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3cc(Cl)c([N+](=O)[O-])n3)c1)CC2=O 587461939 LTPAQXRTFGOXFK-OAQYLSRUSA-N 471.897 4.866 5 1 JJBF COCCOc1ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1[N+](=O)[O-] 587264116 ATKCBNBDBMUWHP-UHFFFAOYSA-N 476.205 4.824 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3ccccc3F)c2c1 587620676 XPTSPLJRRRUENA-UHFFFAOYSA-N 469.494 4.924 5 1 JJBF CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCC(S(=O)(=O)O)CC2)cc1[N+](=O)[O-] 13863838 OCUFGCYPFDLREE-CSKARUKUSA-N 490.603 4.761 5 1 JJBF O=C1C([C@@H](c2ccc([N+](=O)[O-])cc2)N2CCOCC2)=C(O)[C@@H](c2ccccc2)N1c1ccccc1 102961469 WUCFWPWMJKDQQM-JWQCQUIFSA-N 471.513 4.568 5 1 JJBF CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc2c(c1[N+](=O)[O-])OCO2 104038838 GWJHZFFQFADGME-CQSZACIVSA-N 470.507 4.781 5 1 JJBF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cs1 587019189 JXXMIUDODRMWCZ-UHFFFAOYSA-N 473.312 4.925 5 1 JJBF O=c1cccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)n1CCOc1ccccc1Cl 587064027 JLUMRDGZAVZHSD-UHFFFAOYSA-N 489.713 4.795 5 1 JJBF CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(Cl)cc3)[nH]c3cc([N+](=O)[O-])ccc23)n1 587644898 QIUUHYICSCTWEK-UHFFFAOYSA-N 482.880 4.936 5 1 JJBF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587039529 GAECGRMZKBXTEE-QHCPKHFHSA-N 455.543 4.946 5 1 JJBF COc1cc2c3c(c1)O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587421961 OKWZFXHHYQMUDQ-BXKMTCNYSA-N 465.845 4.646 5 1 JJBF Cn1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575697 KIROIVHDOQQWQN-BKMJKUGQSA-N 470.437 4.573 5 1 JJBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 587751983 PFHYCDLZEGLWAT-DAOPMYJZSA-N 467.294 4.867 5 1 JJBF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4208382 VATCJNHYEHVFRY-QWGMKAFMSA-N 480.348 4.517 5 1 JJBF CN1C(=O)N([C@@H](CCc2ccncc2)COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C(=O)C1(C)C 13587507 OOFPNOMLOCGMBW-QHCPKHFHSA-N 488.544 4.710 5 1 JJBF O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662307 ZDHYTVKEAUFIQB-UHFFFAOYSA-N 485.427 4.971 5 1 JJBF CCN(CC)c1ccc(-c2nn(C(=O)Nc3ccc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1 587667960 WYFQXCJLDWRBPB-UHFFFAOYSA-N 487.516 4.912 5 1 JJBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 587865717 GMOFCXYJNSXGBG-UHFFFAOYSA-N 464.356 4.781 5 1 JJBF CCc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 775965 NZGCANHSSAPNDC-UHFFFAOYSA-N 465.506 4.811 5 1 JJBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccccc1OC 4275068 UMVQQDLMVWTSTE-RPBOFIJWSA-N 499.564 4.951 5 1 JJBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N)c([N+](=O)[O-])c2)N1 587749140 XLQGCXQQZYMHKA-MCMMXHMISA-N 456.315 4.905 5 1 JJBF NC(=O)c1cc([N+](=O)[O-])c2c(c1)nc(NCc1ccccc1Cl)n2[C@H]1CCc2ccccc21 49032451 IPYUOZIIUJIOQK-FQEVSTJZSA-N 461.909 4.845 5 1 JJBF O=C(Nc1cc(Sc2ncnc3nc[nH]c23)c(O)c2ccccc12)c1ccc([N+](=O)[O-])cc1 96922662 KQDHQRUUYWXJMJ-UHFFFAOYSA-N 458.459 4.523 5 1 JJBF Nc1ccc2c(c1)oc1c(NC34CC5CC(CC(C5)C3)C4)c(F)cc3c(=O)c(C(=O)O)cn2c13 1857743891 NJZLURAWJQPZSM-UHFFFAOYSA-N 461.493 4.999 5 1 JJBF COCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174851 DJPWCHXYOXDDMJ-UHFFFAOYSA-N 493.545 4.918 5 1 JJBF CC(=O)c1ccc(OC(C)(C)[C@H]2OC[C@H](C/C=C\CCC(=O)O)[C@H](c3cccnc3)O2)c([N+](=O)[O-])c1 36242368 DKANVOYVQMYLKY-HGIKKAFBSA-N 498.532 4.891 5 1 JJBF CCCOc1cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2cc1Br 587116955 NKTUKPVWLSNKQY-UHFFFAOYSA-N 462.226 4.594 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3ccccc3F)c2c1 587620177 RFRUGYOQMYKRIP-UHFFFAOYSA-N 483.477 4.564 5 1 JJBF COc1cc2c(cc1OC)[C@@H](c1c(-c3ccc([N+](=O)[O-])cc3)nc3sccn13)N(C)[C@H](C)C2 962566802 JAFJRZRXAYXAIR-PEBXRYMYSA-N 464.547 4.954 5 1 JJBF COc1ccc([C@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 73168571 AYIWJIOYWAXMMD-OFVILXPXSA-N 488.500 4.786 5 1 JJBF CC(C)(CO)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 774796 SJDIDJSIBUYBHP-UHFFFAOYSA-N 464.305 4.972 5 1 JJBF COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-n2nc3cc2Oc2ccc(F)cc2-3)cc1 587875217 HZFSEKDYSAUNMW-UHFFFAOYSA-N 482.449 4.502 5 1 JJBF CC(=O)Oc1ccc2c(C)cc(=O)oc2c1Cc1c(N(C)C)oc2ccc3ccccc3c2c1=O 101490486 YWXUMJVZIBRUKW-UHFFFAOYSA-N 469.493 4.943 5 1 JJBF O=[N+]([O-])c1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2cc1F 586955945 WWPBXXYUJMIGFO-UHFFFAOYSA-N 472.885 4.682 5 1 JJBF COc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577934 UWUGYOGWLQEBRZ-DHLKQENFSA-N 458.426 4.803 5 1 JJBF COc1cc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Cl)ccc43)nn2)cc(OC)c1OC 1911577286 VBCIZPJBOCVWNM-UHFFFAOYSA-N 490.947 4.522 5 1 JJBF COC(=O)c1cccc(NC(=O)c2cccc(N3C(=O)c4cccc5c([N+](=O)[O-])ccc(c45)C3=O)c2)c1 621476481 CNLJBZSNNXTRGL-UHFFFAOYSA-N 495.447 4.588 5 1 JJBF O=[N+]([O-])c1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccc4c(c3)OCCO4)C2)cc1 1857772602 MPRRCMYBRNIYOA-NRFANRHFSA-N 460.515 4.914 5 1 JJBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCN(CC)CC 4213575 QLHOLLZHKCTCGF-NHCUHLMSSA-N 452.983 4.720 5 1 JJBF COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587748001 RHPAEFKNWDENOY-QQPSPNISSA-N 463.303 4.502 5 1 JJBF Cc1cc([N+](=O)[O-])nn1COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587750504 IGHKNRSTTQWSKM-LAJNKCICSA-N 475.318 4.661 5 1 JJBF Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 769331 SWEQKFKMBGIFQC-IRLDBZIGSA-N 485.327 4.892 5 1 JJBF O=C(CSc1nc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2s1)c1ccccc1 169326350 FGRRVDJFEBJAMW-UHFFFAOYSA-N 485.568 4.980 5 1 JJBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587273355 HFOFJFWYXJXEHX-LBPRGKRZSA-N 458.400 4.742 5 1 JJBF C[C@@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)n1cc([N+](=O)[O-])cn1 587276307 KJGXMEUKDNSZIH-JTQLQIEISA-N 462.363 4.687 5 1 JJBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc([N+](=O)[O-])c2C(=O)c2cccc([N+](=O)[O-])c21 587471479 RKQSWJYGCRMNJS-VWLOTQADSA-N 474.425 4.615 5 1 JJBF CCOCCN(CCOCC)C(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135217 PSOHIZBYHVVAFL-UHFFFAOYSA-N 499.612 4.559 5 1 JJBF COc1ccccc1CCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82136034 WREWPBWCPLCNMZ-KDURUIRLSA-N 489.576 4.515 5 1 JJBF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1cccc(Cl)c1 587072051 SLDFTDKUJFOYDF-ZDUSSCGKSA-N 461.862 4.841 5 1 JJBF O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1[C@H]1CC[C@H](O)CC1)c1cccc([N+](=O)[O-])c1 653749323 DGUFRRJUHIZTQE-AQYVVDRMSA-N 477.565 4.659 5 1 JJBF CC(C)COc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1Br 587269107 GJDQPEFRKGGLGX-UHFFFAOYSA-N 457.288 4.516 5 1 JJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587647579 JIIOHNXBOKVHFK-GOTSBHOMSA-N 471.425 4.843 5 1 JJBF O=[N+]([O-])c1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)nn1CC(F)(F)F 587092024 LDDFMSGGDQXOQK-UHFFFAOYSA-N 474.115 4.558 5 1 JJBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1)[C@@H](C2)C3=O 587421546 LTBUKRGQAHMTAR-JTSKRJEESA-N 462.424 4.871 5 1 JJBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 587946696 ZCWUDIDDGFYTRO-LBPRGKRZSA-N 462.503 4.833 5 1 JJBF COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H](C)C(C)C)c([N+](=O)[O-])cc1OC 773748 MMQVWSMJLGUIGM-CYBMUJFWSA-N 457.458 4.847 5 1 JJBF COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCc2ccccc2)cc1 774327 MCNGBFLNRFFEDK-UHFFFAOYSA-N 473.441 4.584 5 1 JJBF CC(C)(Oc1ccc(F)cc1[N+](=O)[O-])[C@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@H](c2cccnc2)O1 36242267 POJITNLXQREAAG-PBDJHEHHSA-N 474.485 4.828 5 1 JJBF O=C1c2ccccc2[C@](O[C@H]2C=C[C@@H](O)C2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 66102846 DQNTZPIUUCMFMC-TVZXLZGTSA-N 476.916 4.811 5 1 JJBF C[N@@+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 253684813 QTWQZQOULZVQSB-UTONBFNKSA-O 462.564 4.695 5 1 JJBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(-n3ccnc3)c2c1 587620606 FCRPKTUMUSIONW-UHFFFAOYSA-N 489.513 4.738 5 1 JJBF CCOC(=O)c1cccc([C@@]2(c3ccc([N+](=O)[O-])cc3)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962731914 UVRAETPVHOEVNU-WIOPSUGQSA-N 498.457 4.709 5 1 JJBF O=[N+]([O-])c1ccc(OC[C@@H](O)CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 198906294 WGVZHOFGUIPQOA-DEOSSOPVSA-N 496.991 4.636 5 3 JJBF O=C(NCC1CCCCC1)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 96939882 XPOBRBLGSXDHLB-UHFFFAOYSA-N 453.451 4.763 5 1 JJBF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])CC2=O 587458673 AJAUKXYOKDEVII-KRWDZBQOSA-N 455.385 4.909 5 1 JJBF Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4cc5ccccc5nc34)cc2)n1 5729295 BFCCRFUBHHOGDU-UHFFFAOYSA-N 483.553 4.848 5 1 JJBF CN(CC(=O)Nc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)c1ccc(-c2ccccc2)cc1 40919103 XQUKOEMEWVXVDO-UHFFFAOYSA-N 472.545 4.963 5 1 JJBF 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