smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(Br)o2)c(C)cc1[N+](=O)[O-] 25424582 FDMONULZEZIHAA-UHFFFAOYSA-N 470.232 2.179 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccc(C)c(C)c1)S(C)(=O)=O 223882818 ZZEGFMGFCDTEGZ-UHFFFAOYSA-N 451.501 2.181 5 40 JEBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1OC 253486869 AHWPIDXIVWTZQJ-RCOXNQKVSA-N 476.445 2.209 5 40 JEBB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 408658851 JAMNKUHZJLUKBU-AVDACDSBSA-N 489.484 2.495 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc([N+](=O)[O-])o3)c2=O)=N[C@@H]1c1cccc([N+](=O)[O-])c1 408731394 MCFVJNFQQVRTBM-SPQRHKFCSA-N 484.446 2.317 5 40 JEBB COC(=O)C1(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)CCCC1 24979224 RXEVTDAMRBCLQU-UHFFFAOYSA-N 473.935 2.251 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 32138864 LPOFZFHOQVUWMQ-ZZODWALSSA-N 499.501 2.317 5 40 JEBB O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 40153045 PIIDVXMJDCAHFT-UHFFFAOYSA-N 459.440 2.131 5 40 JEBB Cc1c(C(=O)NCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 102129532 DINCZOYBBGKURU-UHFFFAOYSA-N 476.358 2.096 5 40 JEBB CCc1ccc(OCCNC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 223882565 SEKQWHGFWZXUKE-UHFFFAOYSA-N 451.501 2.127 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cccc(OC)c1OC 2494515 WTKAAFFJQUREHJ-QLYXXIJNSA-N 462.462 2.121 5 40 JEBB COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 44901803 XHRDUSWDVRFGMS-UHFFFAOYSA-N 455.514 2.497 5 40 JEBB Cc1sc2nc(COC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[nH]c(=O)c2c1C 3285552 NHIWETQJMGNJKX-UHFFFAOYSA-N 456.436 2.239 5 40 JEBB C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@@H]2[C@@H](C)O1 102772184 ZCMOZOPBXLRFNM-NDJZIXSNSA-N 464.478 2.398 5 40 JEBB Cc1c(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cccc1[N+](=O)[O-] 16001682 QJYFDCKLGAXMGP-YWNPBTLJSA-N 450.426 2.474 5 40 JEBB CSc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 35436229 RMSQJTMULZMTIO-UHFFFAOYSA-N 450.542 2.262 5 40 JEBB CCN1C[C@H](CN(C)CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)Oc2ccccc21 40012112 JALYYMILKRVJNI-IBGZPJMESA-N 453.543 2.463 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(C)(=O)=O 44900538 UGYDCLNHSYMPOY-UHFFFAOYSA-N 451.501 2.473 5 40 JEBB O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9885643 OQVLGVCOOCBWNP-LZCJLJQNSA-N 463.443 2.009 5 40 JEBB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)COc1ccc(S(=O)(=O)N3CCOCC3)cc1[N+](=O)[O-])C2 102862353 HVDWHTBEJSWVBU-LYLBAIIYSA-N 481.571 2.326 5 40 JEBB O=C([C@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1)N1CCCC1 9477475 GCFWOQZKIFASPH-OAQYLSRUSA-N 475.523 2.358 5 40 JEBB CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1cccc([N+](=O)[O-])c1 12413227 VWPBKGTWIUCHCB-OAHLLOKOSA-N 465.509 2.481 5 40 JEBB COC(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc([N+](=O)[O-])c1 12517492 LLOPJSWSAUUKES-CQSZACIVSA-N 457.439 2.402 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@@H]3C=CC=NN32)cc1 15975107 DTYNHRLKOWVXPW-PDGJWGCVSA-N 488.456 2.425 5 40 JEBB COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2 40400110 MACQCCOFLKJQBO-LLVKDONJSA-N 450.411 2.495 5 40 JEBB COc1cc(N2C(=O)[C@@H]3[C@@H](C(C)C)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 102889474 GJSJKSKMEGFCOS-PWSZPPJVSA-N 464.478 2.493 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 9127421 SMGBSTLJMAHJHS-UHFFFAOYSA-N 492.554 2.479 5 40 JEBB CCN(CC)C(=O)CN1CCCN(c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])CC1 12528070 FWKDLTKAIBVXSN-UHFFFAOYSA-N 495.646 2.396 5 40 JEBB C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 14921740 VRVJGKMWFGNZPV-OAHLLOKOSA-N 455.471 2.225 5 40 JEBB O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1C(F)(F)F 941690 ZLKOTZWGSFFBBG-UHFFFAOYSA-N 451.313 2.392 5 40 JEBB O=[N+]([O-])c1ccc2c(c1)OCCOCCOc1cc(S(=O)(=O)O)ccc1OCCOCCO2 8892730 LFJFASXOHLVEPG-UHFFFAOYSA-N 485.467 2.104 5 40 JEBB Cc1cc(NC(=O)COC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)c([N+](=O)[O-])cc1C 14358640 HJIPTWIEQAVRGX-BFUOFWGJSA-N 499.929 2.075 5 40 JEBB O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1 12806756 DBCLMJUFYPRQPZ-UTKZUKDTSA-N 485.566 2.427 5 40 JEBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)Nc2nnc[nH]2)ccc1Cl 3231052 IYTJVLFXNOKOQF-UHFFFAOYSA-N 452.836 2.428 5 40 JEBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1 3360179 AJBHFMHYLHGOIX-CYBMUJFWSA-N 485.565 2.313 5 40 JEBB CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2ccc([N+](=O)[O-])cc2)CC1 11689608 QWDZNGLHERTPDU-UHFFFAOYSA-N 490.494 2.014 5 40 JEBB CC[C@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224747939 MDWXHTSBOMQMSI-JOCHJYFZSA-N 490.582 2.288 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(C)cccc43)[C@H]2C1=O 248336889 PENSRQGJEMXDOL-AVDZWTPASA-N 462.462 2.343 5 40 JEBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5)c4n3)CC2)cc1 13083242 FSZVYSSQGOAYGV-UHFFFAOYSA-N 495.521 2.452 5 40 JEBB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)CC2)cc1 15759748 BPFQNEHAWPJOIU-UHFFFAOYSA-N 484.538 2.446 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 35844172 UZULCSSVBFAWMU-ZHNFZGJGSA-N 462.462 2.343 5 40 JEBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)c(C)c1 11583524 ZSCQNGIUZOPOHC-VQHVLOKHSA-N 487.534 2.301 5 40 JEBB O=C(CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1 24601441 SYCUTRVMVHNGOQ-UHFFFAOYSA-N 482.946 2.210 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 248134608 YXHHOQGOVZDCFY-YIKPNSEUSA-N 450.426 2.474 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 8441604 CDYDGRMDXURGJJ-UHFFFAOYSA-N 498.539 2.205 5 40 JEBB CN(C)S(=O)(=O)N1CCN(c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])CC1 13632945 NVERNIXLYQEWGZ-UHFFFAOYSA-N 491.614 2.222 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 9631283 KKGUQLGBPOWKOL-UHFFFAOYSA-N 450.473 2.003 5 40 JEBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 14158201 RHQXSJGLGUIYJU-JOCHJYFZSA-N 451.439 2.127 5 40 JEBB C[C@H](NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(Br)o1)C(=O)O 17143530 LLTZBKNMLNPHON-RILYUOAZSA-N 452.217 2.311 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)CC(C)C 103629150 LCLRJWNLWMJEET-ZLXSMEDCSA-N 452.511 2.478 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(F)cc1 408773405 KMOBULURRITBFB-BXBOZWQASA-N 457.439 2.439 5 40 JEBB COc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c([N+](=O)[O-])c1 12529150 XJYSMCXZXQQPIB-UHFFFAOYSA-N 489.462 2.470 5 40 JEBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2C=CC=NN12 230012393 ZVFROKXNWICPMR-HCXYKTFWSA-N 461.390 2.100 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1cccs1 408770847 AKOPLCFURZBOSH-OGHDXOPJSA-N 499.526 2.497 5 40 JEBB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1[N+](=O)[O-] 8898128 MTTCXRCJFOHWFC-UHFFFAOYSA-N 477.568 2.112 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@H]1c1cccc([N+](=O)[O-])c1 20801047 HCZKSVPJXWSCJK-RTWAWAEBSA-N 481.509 2.132 5 40 JEBB CCOC(=O)COc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1[N+](=O)[O-] 107793713 DZLNSYVELHNJAZ-ZSOIEALJSA-N 473.394 2.009 5 40 JEBB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1cccc([N+](=O)[O-])c1 408593371 MMTUUVIPIJLEOL-UHFFFAOYSA-N 455.876 2.287 5 40 JEBB Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 8728977 XPQKFWMUXAWLCB-UHFFFAOYSA-N 455.496 2.236 5 40 JEBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 11035153 JOEANDHKTNCWKB-UHFFFAOYSA-N 455.876 2.287 5 40 JEBB COc1ccc(CN(C)C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1OC 22512449 YHHPFECJXRLISN-UHFFFAOYSA-N 451.501 2.345 5 40 JEBB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cccc(C(F)(F)F)c1 408662039 PDTROZQJYYBPHO-LBPRGKRZSA-N 494.382 2.289 5 40 JEBB Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1[N+](=O)[O-] 15391622 CNAKDXSQODUTFM-UHFFFAOYSA-N 491.530 2.103 5 40 JEBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)N1C[C@H](C)O[C@H](C)C1 21101467 OMRUMKWRASMLSI-AHIWAGSCSA-N 487.962 2.279 5 40 JEBB COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 8690219 RCCVNKXAIMADPU-NRFANRHFSA-N 468.510 2.072 5 40 JEBB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C 9315484 LVPWODAJZNYQBO-UHFFFAOYSA-N 474.455 2.326 5 40 JEBB CCOC(=O)c1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c(C)c1 10447029 JHDPKJNEGJMXMX-UHFFFAOYSA-N 465.484 2.493 5 40 JEBB O=C(Nc1nnc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)s1)c1ccco1 20486192 OULJFLJHCYJAOY-UHFFFAOYSA-N 498.930 2.456 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1nnc(SC)s1)S(C)(=O)=O 223730870 OQHSPHROXBEIIZ-UHFFFAOYSA-N 461.547 2.362 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc(C(=O)OC)cc2[N+](=O)[O-])cc1 22222741 LNRCFVNRTDKETQ-UHFFFAOYSA-N 465.484 2.429 5 40 JEBB O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)N1CCOCC1 106695370 WEKJASOMNRBJHV-JYRVWZFOSA-N 456.274 2.252 5 40 JEBB CCOC(=O)[C@H]1[C@H](C(=O)OCC)Sc2[nH]c(=O)sc2[C@H]1c1cc([N+](=O)[O-])ccc1O 245241943 UJBMHTQZNUGEQA-OUCADQQQSA-N 454.482 2.399 5 40 JEBB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])N(C1=CCCCC1)C1CC1 21998927 IXAWMZRTMIEZSK-UHFFFAOYSA-N 465.528 2.443 5 40 JEBB CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 27344973 YXNVEZGHHQSYPC-HXUWFJFHSA-N 462.528 2.327 5 40 JEBB COCCCn1c(=N)c(C(=O)NCCc2ccc(OC)cc2)cc2c(=O)n3cccc(C)c3nc21 101142060 IOYWXSXMBBQDQP-UHFFFAOYSA-N 475.549 2.455 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](CCSC)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35851542 SVAYYPFVOXXCKI-LPSTTYAQSA-N 482.518 2.282 5 40 JEBB Cc1ccc2nc3c(cc(C(=O)N[C@H](C)c4ccccc4)c(=N)n3CCN3CCOCC3)c(=O)n2c1 16742319 IMIPSDRGKCXAPE-LJQANCHMSA-N 486.576 2.260 5 40 JEBB COc1ccc(CN(C)C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1OC 22519076 GGWYCZNVMMFUCE-UHFFFAOYSA-N 467.500 2.045 5 40 JEBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCN(C(=O)N4CCCC4)CC3)c([N+](=O)[O-])c2)C1 8729403 URZFMLZVWLWVPS-KRWDZBQOSA-N 465.576 2.353 5 40 JEBB COc1cc(C(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)c([N+](=O)[O-])cc1OC 12071643 FTDNXCDKRYMFKM-UHFFFAOYSA-N 496.455 2.136 5 40 JEBB CCN(CC)C(=O)CSc1nnc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1N 22532895 JCWPMNXMAUOTNU-UHFFFAOYSA-N 464.533 2.203 5 40 JEBB CCS(=O)(=O)NC1CCN(c2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])CC1 32825103 LQVNSTAKGFWWPB-UHFFFAOYSA-N 488.632 2.360 5 40 JEBB COc1cc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 35851758 QJMTVDYYNXWLHH-BNVGKWPLSA-N 480.452 2.482 5 40 JEBB COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1 409166515 DXFBOJCLWRXOTI-UHFFFAOYSA-N 470.511 2.322 5 40 JEBB Cc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CCN3CCOCC3)c2=N)cc1 2407942 DLAJSEWWDJDAMX-UHFFFAOYSA-N 486.576 2.008 5 40 JEBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)cc1Cl 408652676 GNXIDPVHYQBCMR-ZDUSSCGKSA-N 474.857 2.232 5 40 JEBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c2=O)=N1 409043176 ZYVDGHSGJYROOU-KEBMYNNESA-N 493.497 2.435 5 40 JEBB O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cc3ccc(S(=O)(=O)O)cc3cc2S(=O)(=O)O)cc1 8452160 HZVJPNKGRLVKJP-UHFFFAOYSA-N 489.461 2.009 5 40 JEBB COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H](C(=O)O)N1CCN(c2ccccc2OC)CC1 16778876 YDEVGSYYOCMRQP-SFHVURJKSA-N 458.471 2.216 5 40 JEBB O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 24321181 CUTJRHPQGUWURJ-UHFFFAOYSA-N 462.528 2.124 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)CC1=O 408669142 MWEQXIHZGVEBBL-AWEZNQCLSA-N 470.438 2.097 5 40 JEBB CCN1C[C@H](CN(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])Oc2ccccc21 15117392 QXYJNYROHSBNCS-KRWDZBQOSA-N 476.555 2.339 5 40 JEBB COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] 17067864 DTFLRFMBLIGVBI-UHFFFAOYSA-N 468.919 2.473 5 40 JEBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 728884 RRZUJRQVBIAMOF-JKALPCAWSA-N 465.487 2.325 5 40 JEBB Cn1nnnc1Sc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 9544472 QNFGNNXRIBSESW-UHFFFAOYSA-N 477.390 2.112 5 40 JEBB COc1ccc([C@@H](CNC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)N2CCOCC2)cc1 12753634 KECXPJXOTWLKEK-JOCHJYFZSA-N 493.520 2.261 5 40 JEBB COc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2c[nH]c3ccccc23)cc1[N+](=O)[O-] 13135078 IJPVVMMISAGVHB-UHFFFAOYSA-N 461.452 2.179 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 9334738 GPOWBDWNQIAOEA-KGYLXKDPSA-N 450.451 2.184 5 40 JEBB Cc1csc(Sc2ccc(C(=O)OCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])n1 3352478 PEQMHOXBVNVQON-CYBMUJFWSA-N 485.565 2.313 5 40 JEBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2nc(O)c3ccc(Cl)cc3n2)CC1 21849311 QMMPNVTZVCOPSX-UHFFFAOYSA-N 463.903 2.404 5 40 JEBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)Nc1cccc([N+](=O)[O-])c1 408671095 YMUOGDACULFJTR-INIZCTEOSA-N 453.407 2.165 5 40 JEBB CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 9491694 MDPPAIFKIBYUFJ-UHFFFAOYSA-N 465.528 2.244 5 40 JEBB Cc1cccn2c(=O)c3cc(C(=O)N[C@@H](C)c4ccccc4)c(=N)n(CCN4CCOCC4)c3nc12 2696014 DXSZENUIGCAFOY-IBGZPJMESA-N 486.576 2.260 5 40 JEBB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 3291018 CQCKMWMNEKBRQD-LBPRGKRZSA-N 468.422 2.110 5 40 JEBB Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1S(=O)(=O)N1CCOCC1 15311188 DLUVKCRCEXYPDN-UHFFFAOYSA-N 490.538 2.013 5 40 JEBB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 101258763 RYTYBAMWBXKNBE-SUWCGCSTSA-N 452.492 2.273 5 40 JEBB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1 408670166 WTZMHMRSXIOBFB-QGZVFWFLSA-N 482.493 2.395 5 40 JEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 9373389 SPOAZNPCTZUBIR-GUYCJALGSA-N 495.485 2.466 5 40 JEBB O=C(CCCNS(=O)(=O)c1cccc2nsnc12)OCc1cc([N+](=O)[O-])cc2c1OCOC2 19077010 YKHSXTZUMRXVFX-UHFFFAOYSA-N 494.507 2.268 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(NCc2cccc(CS(N)(=O)=O)c2)c([N+](=O)[O-])c1 58218084 LWKHWAABRKFORO-UHFFFAOYSA-N 456.546 2.026 5 40 JEBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCC[C@H](N4CCNC4=O)C3)c([N+](=O)[O-])c2)C1 62580499 HUSPHSLBVYVQQC-HOTGVXAUSA-N 451.549 2.009 5 40 JEBB CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286275 KBQPSGKFNMTNMP-KXBFYZLASA-N 460.487 2.041 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N/C(=O)c1ccc(F)c(F)c1 2496171 OKSLCMLBMVQZKE-SGWCAAJKSA-N 482.443 2.492 5 40 JEBB CCOC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](O)c1ccc([N+](=O)[O-])cc1 3172752 FRESPUHCKNXMDA-HZPDHXFCSA-N 473.301 2.301 5 40 JEBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3O)c2=O)=N1 409044520 GULTWNYPRNDANS-VOMPUTFMSA-N 465.487 2.412 5 40 JEBB Cc1ccc(S(=O)(=O)N2CC[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)C[C@@]([N+](=O)[O-])(C3)C2)cc1 2254615 UKCUWKUCDNOWSU-SIKLNZKXSA-N 493.607 2.424 5 40 JEBB O=C(Nc1ccc(-n2cccn2)nc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12528024 RSYOPLURMIVZEQ-SFHVURJKSA-N 456.484 2.357 5 40 JEBB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222960448 UCICEWRESVIYCY-HNNXBMFYSA-N 480.518 2.053 5 40 JEBB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 408660309 NPZCFEQBVSWQOZ-NHQIJDEQSA-N 455.467 2.217 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16010297 KFTWQOYSBQMODJ-XQQXVUDOSA-N 450.451 2.184 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16010286 GPOWBDWNQIAOEA-XQQXVUDOSA-N 450.451 2.184 5 40 JEBB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 9128437 SJVSZMVLLJASMD-UHFFFAOYSA-N 473.463 2.018 5 40 JEBB O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1 12806768 DBCLMJUFYPRQPZ-DYESRHJHSA-N 485.566 2.427 5 40 JEBB O=C(OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(NC(=O)C2CC2)cc1 25029147 DWUHRBGWNWQKCA-UHFFFAOYSA-N 452.467 2.449 5 40 JEBB CCOC(=O)CSc1nnnn1-c1ccc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 8443243 JYSMEZGLFKZXTO-UHFFFAOYSA-N 486.466 2.021 5 40 JEBB O=C(O)c1ccccc1NS(=O)(=O)c1ccc(NNC(=S)NC2CC2)c([N+](=O)[O-])c1 9631549 LXUUZEMKHMBUAS-UHFFFAOYSA-N 451.486 2.047 5 40 JEBB COc1cc(N2C(=O)[C@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 95482625 QJMTVDYYNXWLHH-BBOHXYNISA-N 480.452 2.482 5 40 JEBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccc(F)cc1 33489333 LPAAZEMSUWJYMM-UHFFFAOYSA-N 473.530 2.407 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@]1(C(=O)Nc3c(C)cccc31)N1CCC[C@H]21 35844162 PENSRQGJEMXDOL-VEBYGKHWSA-N 462.462 2.343 5 40 JEBB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223799501 TYHPGXPYAVTNDL-MRXNPFEDSA-N 494.545 2.362 5 40 JEBB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 2660548 BDUZFNLLGLJBJD-UHFFFAOYSA-N 471.422 2.129 5 40 JEBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1=O 31633067 HXIQHJXPUBCWTL-NRFANRHFSA-N 471.495 2.040 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1)S(C)(=O)=O 260888275 KYUHHVRGCVBALF-GOSISDBHSA-N 490.582 2.206 5 40 JEBB COc1c(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 408721625 VRKLZYXVQVULLV-BASWHVEKSA-N 478.240 2.439 5 40 JEBB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 9761686 VNJDOZXUZDKFHN-UHFFFAOYSA-N 459.436 2.394 5 40 JEBB O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 2134461 MSSDGMUVLNTWOL-ZIAGYGMSSA-N 484.512 2.071 5 40 JEBB CC(=O)N[C@H](Cc1cc(C)ccc1C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 13084741 AOXYRMLMAYUABM-JOCHJYFZSA-N 452.511 2.243 5 40 JEBB CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225583401 JKJSBIMVNHCKAF-INIZCTEOSA-N 494.545 2.442 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(C)cccc43)[C@H]2C1=O 248336892 PENSRQGJEMXDOL-ZBAMRAGRSA-N 462.462 2.343 5 40 JEBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ncccn2)n[nH]1 409152719 GCADNFFSOJHFEB-OAHLLOKOSA-N 456.488 2.361 5 40 JEBB COCCn1c(=N)c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3ccccc3nc21 2435370 XIVOGMYHBGHIFD-UHFFFAOYSA-N 489.351 2.370 5 40 JEBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c1C 12538122 KJDCMLZTTVGJDI-HXUWFJFHSA-N 454.483 2.277 5 40 JEBB CNc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)cc1[N+](=O)[O-] 12552253 RHHHEILOBURGFQ-UHFFFAOYSA-N 462.528 2.362 5 40 JEBB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 408665464 FKMWPMCJTGQEEH-OAHLLOKOSA-N 485.449 2.315 5 40 JEBB COc1c(OC(C)=O)ccc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)c1[N+](=O)[O-] 408721029 IGKZTHHIZKXWRZ-ACAGNQJTSA-N 491.279 2.457 5 40 JEBB COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 216187720 BGFRUISILAQLLC-UHFFFAOYSA-N 455.514 2.330 5 40 JEBB COc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)cc1 14691749 CRWOCVAPJHBMSM-UHFFFAOYSA-N 488.566 2.353 5 40 JEBB C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1=O 31658844 NNIQDIZVZAMCFW-NRFANRHFSA-N 471.495 2.040 5 40 JEBB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 9884292 AOOOJHBMJYIUSP-LLVKDONJSA-N 498.901 2.055 5 40 JEBB C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 12805492 BQNSNAZQCKGOJH-KGLIPLIRSA-N 455.423 2.289 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@H]1c1cccc([N+](=O)[O-])c1 20801051 HCZKSVPJXWSCJK-SFTDATJTSA-N 481.509 2.132 5 40 JEBB COc1cc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1[N+](=O)[O-] 224405834 AXBQNIAQLCUZRH-UHFFFAOYSA-N 493.538 2.352 5 40 JEBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc([N+](=O)[O-])c(O)cc3O)c2=O)=N1 409034254 MZLHNULJOWKNIK-JZVSFUAJSA-N 481.486 2.118 5 40 JEBB CC(=O)c1ccc(N2CCN(c3ccc(S(=O)(=O)NCCN(C)C)cc3[N+](=O)[O-])CC2)c(F)c1 15141022 QVLQKWDOKCEHQE-UHFFFAOYSA-N 493.561 2.103 5 40 JEBB Cn1c(=O)c2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(-c3ccc(F)cc3)nc2n(C)c1=O 9382402 XIRCIZIETMDPFL-UHFFFAOYSA-N 496.480 2.472 5 40 JEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(S(=O)(=O)c2ccccc2)CC1 9661919 PYEKESFJJIWYOF-UHFFFAOYSA-N 494.595 2.280 5 40 JEBB C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 14921742 VRVJGKMWFGNZPV-HNNXBMFYSA-N 455.471 2.225 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(NC(C)=O)cc2)c1 408661160 DPLIDRVIWNOATG-UHFFFAOYSA-N 458.427 2.462 5 40 JEBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3O)c2=O)=N1 409044522 GULTWNYPRNDANS-YWFITGJYSA-N 465.487 2.412 5 40 JEBB CS(=O)(=O)[C@@](Br)(I)[C@@H](O)c1cccc([N+](=O)[O-])c1 96520987 YBDFJWLIOCLWAY-IUCAKERBSA-N 450.048 2.157 5 40 JEBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 13527842 DLQQQGOXIGYQCD-UHFFFAOYSA-N 472.479 2.004 5 40 JEBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N\C(=O)c1ccco1 31973755 DSNCSTCMSTYCJZ-QQTULTPQSA-N 450.451 2.115 5 40 JEBB CN1CCN(S(=O)(=O)c2ccc(NCCN3CCCc4ccccc43)c([N+](=O)[O-])c2)CC1 40155538 XUVNNIJMMNVWOJ-UHFFFAOYSA-N 459.572 2.396 5 40 JEBB CCn1c(=O)sc2cc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)ccc21 225086942 GTBURIWDSQDGQK-UHFFFAOYSA-N 450.498 2.396 5 40 JEBB CC1(C)OC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@@H]32)C(=O)O1 20548607 GTAUJYFRAAPZBF-OAQYLSRUSA-N 495.488 2.393 5 40 JEBB CCOC(=O)c1sc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)nc1C 22716141 PFJHXIRWPYOFJM-UHFFFAOYSA-N 479.540 2.500 5 40 JEBB O=c1[nH]cnc2cc(N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)c([N+](=O)[O-])cc12 29187082 PGYDAXWWUNZKFL-UHFFFAOYSA-N 483.428 2.361 5 40 JEBB Cn1ccnc1[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1 29769037 WEMJRNIMWPUEPJ-SFHVURJKSA-N 453.842 2.484 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@]1(C(=O)Nc3ccc(C)cc31)N1CCC[C@H]21 9361427 UKIMYBMMSAINOY-UFRIGAJXSA-N 462.462 2.343 5 40 JEBB CNC(=O)c1nn(CN2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(=O)c2ccccc12 12565103 QQIJHTIVUOOAIS-UHFFFAOYSA-N 456.890 2.097 5 40 JEBB CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)N(CCNc2ccc([N+](=O)[O-])cn2)C1=S 20171428 YILJRQGGNRSZKK-KRWDZBQOSA-N 472.527 2.257 5 40 JEBB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 224432880 VULKHLXWAYUUSF-UHFFFAOYSA-N 469.903 2.078 5 40 JEBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NCCCn3nc4n(c3=O)CCCC4)c([N+](=O)[O-])c2)C1 40135294 FQTAOVAUIUSDGK-IAGOWNOFSA-N 492.602 2.458 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@H]1c1ccc([N+](=O)[O-])cc1 20801268 AWLIUSGNSRAQME-RTWAWAEBSA-N 481.509 2.132 5 40 JEBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 34875452 KQRSBLMFXXICAC-UHFFFAOYSA-N 468.919 2.202 5 40 JEBB COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14269618 YFQOOWIBUNZLOI-UHFFFAOYSA-N 461.456 2.475 5 40 JEBB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1 20102967 XOIJZOFCYGSGBT-SFHVURJKSA-N 482.493 2.395 5 40 JEBB COCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccc(OC)c(OC)c2)c1=N 100752420 NZOWUYOBQVMHLH-UHFFFAOYSA-N 491.548 2.155 5 40 JEBB biogenic COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1OC 103558945 AHWPIDXIVWTZQJ-DBOLQNLKSA-N 476.445 2.209 5 40 JEBB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224863424 VBDGTDPWFUVYRW-MRXNPFEDSA-N 494.545 2.443 5 40 JEBB O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(S(=O)(=O)CCO)cc1 3044913 SIKDGDDWECMNFT-UHFFFAOYSA-N 471.403 2.223 5 40 JEBB O=C1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2c(nc(N3CCc4ccccc4C3)[nH]c2=O)N1 40390683 SKASNMVSNHXHHE-KRWDZBQOSA-N 460.450 2.305 5 40 JEBB C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 12805516 BQNSNAZQCKGOJH-UONOGXRCSA-N 455.423 2.289 5 40 JEBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12 103524874 ZVFROKXNWICPMR-YRXWBPOGSA-N 461.390 2.100 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 8406315 LMIHGGJSPGROPX-KEBMYNNESA-N 493.497 2.435 5 40 JEBB CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 9381005 VQGMHSHUHVDSJC-SFHVURJKSA-N 452.514 2.467 5 40 JEBB Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1[N+](=O)[O-] 12977348 FBULBXRINMRCSA-UHFFFAOYSA-N 461.496 2.211 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1c(F)cccc1F 101176719 ITLWUJUXWKVKIA-HFTWOUSFSA-N 482.443 2.492 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1ccccc1 408723179 OBPYBQYIAMDKTA-LYFUXTGPSA-N 493.497 2.435 5 40 JEBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](CN1CCOCC1)c1ccccc1 16831359 JXSHGIDMBWXKCW-LJQANCHMSA-N 454.483 2.473 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccccc1-n1ccnc1C)S(C)(=O)=O 22532545 VZPTZBRHBNPXSI-UHFFFAOYSA-N 473.511 2.180 5 40 JEBB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1Cl 9570216 AWYMCBJTJYAKNR-UHFFFAOYSA-N 452.920 2.130 5 40 JEBB COC(CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1ccc(Cl)cc1)C2=O)OC 9451213 OVICNQIKCAQRQL-QFIPXVFZSA-N 488.884 2.499 5 40 JEBB O=[N+]([O-])c1ccc(NCC2(N3CCOCC3)CCCCC2)c(S(=O)(=O)N2CCOCC2)c1 12516741 LRXSOPDIYKTMCC-UHFFFAOYSA-N 468.576 2.063 5 40 JEBB O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)[n+]([O-])c1NC1CCN(Cc2ccccc2)CC1 13574375 CFIAQBPIOTUCGK-UHFFFAOYSA-N 452.471 2.262 5 40 JEBB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 16831977 SYDUKPMHNPRGEU-UHFFFAOYSA-N 477.543 2.337 5 40 JEBB CCCCCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(CC(OC)OC)C2)C1=O 9434001 ZCOSOQKDUXBSGB-QFIPXVFZSA-N 462.503 2.221 5 40 JEBB Cn1nc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2c1=O 9510181 KPJLFIJIBVPAMZ-UHFFFAOYSA-N 461.228 2.400 5 40 JEBB Cc1c(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)cccc1[N+](=O)[O-] 225059401 DMJQRODHRALXRC-UHFFFAOYSA-N 450.498 2.221 5 40 JEBB CN(C)c1ccc(S(=O)(=O)NCC(=O)OCc2nc3ccccc3s2)cc1[N+](=O)[O-] 9493372 WPASEBJJVLLZMJ-UHFFFAOYSA-N 450.498 2.292 5 40 JEBB COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cccs1 33626537 HOGDRBSEZLRPAF-XYSGSMRZSA-N 485.543 2.395 5 40 JEBB COc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)CC2)c1 13563375 GXIACIMLHJHPRE-SFHVURJKSA-N 488.566 2.353 5 40 JEBB C[C@@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 223884442 NCGJGLPBCPVLFX-OAHLLOKOSA-N 483.568 2.422 5 40 JEBB CCOC(=O)[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 16956742 JEFMTKKVFZBMIY-DYALPIRYSA-N 472.498 2.162 5 40 JEBB Cc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] 224301113 LPXZTZUELMLACH-UHFFFAOYSA-N 469.541 2.045 5 40 JEBB COc1ccc(OCCOC(=O)CNS(=O)(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 9550426 HTUMZTPNHNEWAG-UHFFFAOYSA-N 456.498 2.226 5 40 JEBB CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCC2=CCCCC2)cc1[N+](=O)[O-] 9962974 PWLQTZGMGBXIEB-UHFFFAOYSA-N 471.557 2.145 5 40 JEBB COc1ccc([C@H](CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])N(C)C)cc1 12696598 YOHTVXLRMSQMDJ-QFIPXVFZSA-N 477.587 2.254 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1cccc([N+](=O)[O-])c1 20675039 NJZJNBQDRBKWGL-UXHICEINSA-N 451.483 2.123 5 40 JEBB Cn1nnnc1Sc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] 3438038 LAZGMPRGIYFPGP-UHFFFAOYSA-N 489.539 2.306 5 40 JEBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)NCC(F)(F)F 8773158 MSCQRFKUHYXFCC-LBPRGKRZSA-N 471.841 2.321 5 40 JEBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 12694100 PTHCWSMZHZEXBX-UHFFFAOYSA-N 496.929 2.028 5 40 JEBB C[C@@H]1CC(=O)[C@@H](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)[C@@H]1C[N+](=O)[O-] 12795009 XGOFFLUEGCVONF-QLFBSQMISA-N 491.488 2.046 5 40 JEBB COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(F)cc1 33387094 MLWUXFOZIINBMD-KRXBUXKQSA-N 463.399 2.470 5 40 JEBB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 9493992 GUDZNGWEHDHPDL-UHFFFAOYSA-N 476.511 2.241 5 40 JEBB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 3291020 CQCKMWMNEKBRQD-GFCCVEGCSA-N 468.422 2.110 5 40 JEBB Cn1nnnc1Sc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 9630791 KYHIRIPMHKGSKR-UHFFFAOYSA-N 457.424 2.080 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O 10327824 ABFHLJYHJDBQRD-UHFFFAOYSA-N 450.492 2.157 5 40 JEBB O=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 8670552 NJHSJQIEBNIAKZ-UHFFFAOYSA-N 477.495 2.330 5 40 JEBB C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C)c1ccc(F)cc1 9120150 OGLYCRVVQLLADV-NSHDSACASA-N 460.447 2.443 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 10332157 UNAQJBDEJILBSO-UHFFFAOYSA-N 498.583 2.338 5 40 JEBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1CCN1CCOCC1 15956549 FTHDVJZSIXPSSM-RDGATRHJSA-N 489.532 2.093 5 40 JEBB biogenic NC(=O)Cn1ccc(Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])n1 65590028 JPXLZOVYCRXVOA-UHFFFAOYSA-N 450.864 2.474 5 40 JEBB Cc1cc(NNc2c([N+](=O)[O-])cncc2[N+](=O)[O-])nc(NNc2c([N+](=O)[O-])cncc2[N+](=O)[O-])n1 8444471 CPJAGCOBXHQMDO-UHFFFAOYSA-N 488.337 2.086 5 40 JEBB CN1CCN(c2ccccc2NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 22741932 WWLMPDOLWAFAOH-UHFFFAOYSA-N 484.582 2.310 5 40 JEBB CCOc1ccc([C@H](CNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)N2CCOCC2)cc1OC 32739256 KSRAVCCOHPTYKX-SFHVURJKSA-N 461.519 2.005 5 40 JEBB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cccc2ccccc12 408664724 QWFPSEFNAKAEHT-MRXNPFEDSA-N 476.445 2.423 5 40 JEBB COC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1ccccc1 2697337 UOORXCGPQRPNKZ-XGHXRCDJSA-N 451.460 2.022 5 40 JEBB C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1=O 31658847 NNIQDIZVZAMCFW-OAQYLSRUSA-N 471.495 2.040 5 40 JEBB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 408670060 WMUWPOUHOKBKTH-NHQIJDEQSA-N 457.483 2.441 5 40 JEBB CCOC(=O)C1=C(COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])NC(=O)N[C@H]1C 9224326 GTQKYHIKCYIQJA-VIFPVBQESA-N 460.365 2.087 5 40 JEBB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 102384590 NHLRZHVLKVYFEL-MBZVMHRFSA-N 478.427 2.069 5 40 JEBB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223799561 TYHPGXPYAVTNDL-INIZCTEOSA-N 494.545 2.362 5 40 JEBB CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(=O)[nH]c1=O 9129165 OJPKSOCHKLYKJT-UHFFFAOYSA-N 481.531 2.125 5 40 JEBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@@H]2CCCN21 9358677 CYAYEQKWETZYTR-AZXNSQLWSA-N 462.462 2.343 5 40 JEBB COc1cccc([C@@H](CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])N(C)C)c1 13112832 AUJQIXXCGAHMJS-JOCHJYFZSA-N 477.587 2.254 5 40 JEBB CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 8825930 JBENBVKUICFQIX-UHFFFAOYSA-N 497.913 2.284 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 9359274 VFSOXSCPZBQZCA-LPSTTYAQSA-N 466.425 2.174 5 40 JEBB Cn1c(=O)c2c(SCC(=O)NC3CCCCC3)nc(-c3cccc([N+](=O)[O-])c3)nc2n(C)c1=O 9517610 KSGZRXILJBILLN-UHFFFAOYSA-N 484.538 2.143 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 8406311 LMIHGGJSPGROPX-IDQDRXHYSA-N 493.497 2.435 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20462595 VFSOXSCPZBQZCA-NSNOHRKYSA-N 466.425 2.174 5 40 JEBB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)cc1 40399918 OVVAXRYWLXDZMJ-HNNXBMFYSA-N 450.411 2.495 5 40 JEBB COc1cc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 95482624 QJMTVDYYNXWLHH-YTCTWSIISA-N 480.452 2.482 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)c1 138624111 JQOXPKYBCAYZFU-ZDUSSCGKSA-N 473.438 2.155 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 408669307 VTMBRCBCSFDUED-HNNXBMFYSA-N 483.433 2.174 5 40 JEBB COc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 8831278 PZSQDFANXSYZKG-UHFFFAOYSA-N 461.456 2.475 5 40 JEBB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)OC(=O)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 12948646 GRWUODBFAUWREH-AWEZNQCLSA-N 490.900 2.315 5 40 JEBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)COc3ccccc3)CC2)c([N+](=O)[O-])c1 408571735 DSIJFZDDNBWAQL-UHFFFAOYSA-N 472.523 2.374 5 40 JEBB COC(=O)[C@@H](C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2nc1O 8653486 KMPWEKGMEWBRSH-CQSZACIVSA-N 489.784 2.270 5 40 JEBB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3nn(CC)cc3[N+](=O)[O-])cc2)s1 2764687 QFISKFOPYLSYLP-UHFFFAOYSA-N 451.490 2.278 5 40 JEBB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)CC2)c(C)c1 12861236 GZXCSWARIVGUCU-UHFFFAOYSA-N 484.538 2.247 5 40 JEBB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1 409352682 XXPLIDRLZIGNEO-UHFFFAOYSA-N 456.484 2.393 5 40 JEBB CN1CCN(CCc2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3n2C)CC1 9013774 WZTYNSZXGFOPLK-UHFFFAOYSA-N 452.515 2.289 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 12551480 ITOWKVQDRKZCEP-UHFFFAOYSA-N 473.486 2.375 5 40 JEBB O=C(COC(=O)CNC(=O)c1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1F 9634059 RCUVYMFETCEKEF-UHFFFAOYSA-N 454.208 2.408 5 40 JEBB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9666451 KNXIQTJFVXTYCD-UHFFFAOYSA-N 468.466 2.352 5 40 JEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NNS(=O)(=O)c1cccc(Cl)c1 13135065 RKFUQJQRNCIKMM-UHFFFAOYSA-N 460.921 2.338 5 40 JEBB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21 32752994 FXCDFSWQEIPNNJ-UHFFFAOYSA-N 489.510 2.003 5 40 JEBB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71980573 LTXWONIAOVEBLT-LJQANCHMSA-N 470.438 2.421 5 40 JEBB CCOC(=O)C1=C(Cn2ncc([N+](=O)[O-])c2OCC)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 8782453 YHXAKNHRULSISS-LJQANCHMSA-N 489.485 2.216 5 40 JEBB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222426880 XIIMDDLCGPJPMT-KRWDZBQOSA-N 476.555 2.141 5 40 JEBB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222949724 ISFVOWWXAFUOQC-IBGZPJMESA-N 476.555 2.223 5 40 JEBB O=C1[C@H]2[C@H](C(=O)N1Cc1ccccc1)[C@@]1(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C=C[C@H]2O1 229943084 ZGOAXPXRXHEUGY-YXTQBTIXSA-N 450.407 2.424 5 40 JEBB CCOc1ccc(NC(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)c([N+](=O)[O-])c1 9562629 QCAIDBXMRZFUID-ZHACJKMWSA-N 463.468 2.066 5 40 JEBB CNC(=O)c1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 14248082 BEGMGNOFJZIOEG-UHFFFAOYSA-N 488.566 2.322 5 40 JEBB CS(=O)(=O)[C@@](Br)(I)[C@@H](O)c1ccc([N+](=O)[O-])cc1 96520968 DTWXMGUNCLVQCE-IUCAKERBSA-N 450.048 2.157 5 40 JEBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NCCN1CCOCC1 8792316 OBHSXQUKZAJDQW-UHFFFAOYSA-N 456.502 2.419 5 40 JEBB biogenic CCOC(=O)CSc1nnnn1-c1ccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 9331887 MRXGYYIGNFGBNQ-UHFFFAOYSA-N 486.466 2.021 5 40 JEBB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224373118 FQOLUEMKOTXFHM-HXUWFJFHSA-N 494.545 2.443 5 40 JEBB CCN1C[C@@H](CN(C)CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)Oc2ccccc21 40012113 JALYYMILKRVJNI-LJQANCHMSA-N 453.543 2.463 5 40 JEBB CC[C@@H](C(=O)Nc1nnc(SC)s1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 224862723 NXWYFTMULQXQGU-JTQLQIEISA-N 461.547 2.360 5 40 JEBB CN(C)CCCNS(=O)(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 13099012 QMPKOKZUDVFLFY-UHFFFAOYSA-N 461.588 2.147 5 40 JEBB Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)NCCc1ccccc1 409131413 JHLQQCATBRXWFE-UHFFFAOYSA-N 454.512 2.104 5 40 JEBB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)n2C)c1 409169825 RYQGYKDOVDJJSU-UHFFFAOYSA-N 456.484 2.398 5 40 JEBB Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)n1 20040224 FKNVJIRHNXURQT-UHFFFAOYSA-N 463.497 2.436 5 40 JEBB CCOc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1OCC 27091274 AQGDSPADZKMXFM-UHFFFAOYSA-N 484.465 2.085 5 40 JEBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2N=CC=C[C@H]32)cc1 9317307 VKQYRBOXMWISRT-NCYKPQTJSA-N 474.429 2.117 5 40 JEBB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 16009663 RYTYBAMWBXKNBE-ORGXJRBJSA-N 452.492 2.273 5 40 JEBB CC(C)C(=O)Nc1nnc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)s1 20486198 GGASOGPDJQLHSU-UHFFFAOYSA-N 474.952 2.205 5 40 JEBB Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409136623 SCUYLIMYHRBHRQ-UHFFFAOYSA-N 471.455 2.292 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c1 12539572 AJSHSVUJADXRFD-UHFFFAOYSA-N 473.511 2.282 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1ccc(OC)cc1 31937028 CFROBARBVDGEKJ-QYQHSDTDSA-N 476.489 2.222 5 40 JEBB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1cccc2ccccc12 138696203 LNZWNAGQZVFLHI-KRWDZBQOSA-N 476.445 2.423 5 40 JEBB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224114027 WAZFXOJXKNVJKL-HXUWFJFHSA-N 476.555 2.304 5 40 JEBB COc1ccc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@H]4CCCO4)CC3)c([N+](=O)[O-])c2)cc1 9284464 RQOFTZJMPOOHID-OAQYLSRUSA-N 490.538 2.232 5 40 JEBB O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N[C@H]1CCCc2ccccc21 34864544 VWVBJEZVRMTZDM-IBGZPJMESA-N 458.540 2.095 5 40 JEBB CC[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225276227 PUGFNZUSIFWQSE-SJORKVTESA-N 463.512 2.404 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 408657382 JSURNDQWURFRAP-LBPRGKRZSA-N 458.383 2.046 5 40 JEBB COc1ccc(Cl)cc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 13671357 DGKLXDNBMZECSH-UHFFFAOYSA-N 484.962 2.438 5 40 JEBB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 13914992 ZJSHSLVLYWMMNG-ZNQKWNQWSA-N 495.513 2.334 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16001074 VQZWMAZCMCEOKZ-FAODYONGSA-N 466.425 2.174 5 40 JEBB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN(C)Cc3ccccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 26346676 HWNYHVDSSNPDPO-CALCHBBNSA-N 476.555 2.463 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(O)cc3O)c(=O)n2[C@H]1c1ccc(C)cc1 408832320 RWJFMQPGBQSKKM-KEBMYNNESA-N 495.513 2.426 5 40 JEBB COc1cc(N2C(=O)[C@@H]3[C@H](C(C)C)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 16009728 GJSJKSKMEGFCOS-XHOYROJHSA-N 464.478 2.493 5 40 JEBB CCOC(=O)c1c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2O)sc(C(=O)NC)c1C 58007137 XOGWKYAFCXXTCI-UHFFFAOYSA-N 465.440 2.002 5 40 JEBB COc1cc2c(cc1OC)C(C[C@H](c1ccccc1[N+](=O)[O-])c1c(O)[nH]c(=O)[nH]c1=O)=NCC2 4648392 FBNPRSCBVQHWAQ-OAHLLOKOSA-N 466.450 2.262 5 40 JEBB CC(=O)c1ccc(N2CCN(c3ccc(S(=O)(=O)NCCCN(C)C)cc3[N+](=O)[O-])CC2)cc1 9119890 NYTBDMVOUFFILS-UHFFFAOYSA-N 489.598 2.354 5 40 JEBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 13988478 RXLXGTIDJIUBPC-UHFFFAOYSA-N 486.528 2.320 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)c1 408652755 CVCANUUGMRXGOT-ZDUSSCGKSA-N 473.438 2.155 5 40 JEBB CCN(C(=O)COC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 9612725 CVMUBYRYKNFDIR-DOTOQJQBSA-N 467.544 2.024 5 40 JEBB CCn1cnc2c1c(=O)n(CC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C)c(=O)n2Cc1ccccc1 9466474 JDPCUZOTYSMASK-UHFFFAOYSA-N 492.492 2.292 5 40 JEBB O=C(c1cncn1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 12550967 ABIJXGHPQJHORD-UHFFFAOYSA-N 459.459 2.066 5 40 JEBB CC[C@@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260920161 GDAIXCHDYCQGOH-KUHUBIRLSA-N 483.568 2.420 5 40 JEBB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccccc1C(F)(F)F 408658334 QYHYDXRTFCGOAY-ZDUSSCGKSA-N 494.382 2.289 5 40 JEBB CC(C)CN(C(=O)COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 9127868 PIZBZFOFEQCMLH-CQSZACIVSA-N 495.476 2.240 5 40 JEBB Cn1c(CCC(=O)Nc2cccc([N+](=O)[O-])c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12581866 RXRVJWHFQSWBFU-UHFFFAOYSA-N 473.511 2.074 5 40 JEBB C[C@@H]1CC(=O)[C@H](CC(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)[C@@H]1C[N+](=O)[O-] 21203784 DRHWYVUTMJLBFU-KBRIMQKVSA-N 491.488 2.046 5 40 JEBB Cc1c(C(N)=O)sc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C(=O)OC(C)C 96288449 SKSLVDJHPFCVJE-UHFFFAOYSA-N 489.554 2.390 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccco1 101177113 WVFUVUXVSRGKHE-IAIVQWBNSA-N 462.462 2.339 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=CC=NN1[C@H]2C(=O)c1ccc(F)cc1 253487763 PRZYYZUUSIPASJ-XFWGSAIBSA-N 464.409 2.339 5 40 JEBB Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(=S)n1C 409164784 NVWBASAFCHYSOL-UHFFFAOYSA-N 456.484 2.442 5 40 JEBB CCOC(=O)c1ccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 8837374 VUUVTOLUQMTJSN-LJQANCHMSA-N 452.491 2.298 5 40 JEBB biogenic CN1CCC(N(C)S(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1 24038297 OERADLRZLHOZJS-UHFFFAOYSA-N 462.528 2.327 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O 408671649 SXAYKRBESLARGD-ZDUSSCGKSA-N 472.410 2.355 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1cc(C)ccc1C)S(C)(=O)=O 223999029 VXFRXXLBJVXNQW-UHFFFAOYSA-N 451.501 2.181 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2)S(C)(=O)=O 260842837 XSMHNFSMLXBUCF-CYBMUJFWSA-N 465.484 2.018 5 40 JEBB Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 409136355 TZRSPSVVHXSUEB-UHFFFAOYSA-N 471.455 2.292 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1C 11690911 HZIAURWGSNFPAA-QQTULTPQSA-N 461.434 2.321 5 40 JEBB CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 13085084 PERLAJQTPWJULC-OAQYLSRUSA-N 456.474 2.202 5 40 JEBB O=[N+]([O-])c1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCN(CCO)CC2)cc1 22852306 XZNDYMMMXJRRQZ-QGZVFWFLSA-N 470.511 2.364 5 40 JEBB O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1ccc(OC(F)(F)F)cc1 25387430 WEKDYASGBYXPHW-UHFFFAOYSA-N 488.444 2.438 5 40 JEBB O=C(COc1ccccc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 107716642 AZQNDJUQVXHXPY-UHFFFAOYSA-N 485.566 2.034 5 40 JEBB COc1cc2c(cc1OC)-c1[nH]nc(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)c1C2 604405124 XBCRWJPLRJSHHO-OCCSQVGLSA-N 477.477 2.328 5 40 JEBB biogenic Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 32903059 NRIOYVOMGHVLTD-NRFANRHFSA-N 454.483 2.216 5 40 JEBB CS(=O)(=O)[C@@](Br)(I)[C@H](O)c1cccc([N+](=O)[O-])c1 96520984 YBDFJWLIOCLWAY-BDAKNGLRSA-N 450.048 2.157 5 40 JEBB COC(=O)c1ccc(CSc2nc(-c3ccc([N+](=O)[O-])cc3)nc3c2c(=O)n(C)c(=O)n3C)o1 11758247 PVHWWPSFFWONMP-UHFFFAOYSA-N 483.462 2.274 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1 101590116 KNNSJRMLLRFBFY-XRXFAXGQSA-N 474.429 2.117 5 40 JEBB COC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1ccccc1 2697334 UOORXCGPQRPNKZ-DPWKNNTCSA-N 451.460 2.022 5 40 JEBB C[C@H](NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 89904784 RQPCBNTZXXTAFH-HOTGVXAUSA-N 464.519 2.306 5 40 JEBB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(C(F)(F)F)c1 408653094 HWCSIQXLKDMDBN-ZDUSSCGKSA-N 494.382 2.289 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc([N+](=O)[O-])o3)c2=O)=N[C@@H]1c1ccc(OC)cc1 408732295 TZWLEXGICVDXTJ-KZIRBZLESA-N 469.475 2.417 5 40 JEBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1OC 9354117 AHWPIDXIVWTZQJ-OTNPHJDUSA-N 476.445 2.209 5 40 JEBB Cn1c(=O)c2c(SCC(=O)Nc3ccccc3)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O 9411406 WRXKWEPZDNVUFA-UHFFFAOYSA-N 478.490 2.333 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)CC(C)C 103629148 LCLRJWNLWMJEET-DAAIQYDRSA-N 452.511 2.478 5 40 JEBB COc1ccc(CCN(C)c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1OC 15210739 XJGUSSLGKSBOMU-UHFFFAOYSA-N 465.528 2.312 5 40 JEBB Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)cc3C2=O)s1 408690568 VWXYPVNAWLXXHK-UHFFFAOYSA-N 467.419 2.351 5 40 JEBB C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc([N+](=O)[O-])cc2)CCN1 39931793 RULKBCWWUQMAPT-LBPRGKRZSA-N 453.411 2.303 5 40 JEBB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223792616 RFOIZEIPKQBDEM-HNNXBMFYSA-N 480.518 2.053 5 40 JEBB CCOC(=O)[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 9266097 JEFMTKKVFZBMIY-SJZFEPBNSA-N 472.498 2.162 5 40 JEBB Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 9545015 DXPYSQOXRBVWRS-YBJDMEARSA-N 482.902 2.308 5 40 JEBB O=C(COC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)NCC1(N2CCOCC2)CCCCC1 14801072 VIWGTOXOLPYWAA-SNAWJCMRSA-N 475.498 2.031 5 40 JEBB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 12998679 ZQJHPMJPYZQGCX-HNNXBMFYSA-N 452.393 2.451 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N[C@H]1c1ccc([N+](=O)[O-])o1 408729912 FCDHDNAUMWUWPT-BXBOZWQASA-N 484.446 2.317 5 40 JEBB Cc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 9489411 YWSNWUUVSUQIHI-UHFFFAOYSA-N 469.541 2.058 5 40 JEBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1[N+](=O)[O-] 9539513 OBIPYPZZKKTXNS-UHFFFAOYSA-N 457.804 2.355 5 40 JEBB CNc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] 32888499 JGUJVMJJOMNBKU-UHFFFAOYSA-N 461.500 2.023 5 40 JEBB COc1ccc(OCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 224831830 OYNRDRAYZIKLQK-UHFFFAOYSA-N 481.527 2.353 5 40 JEBB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225463678 BXVRCJKIEISUQP-QGZVFWFLSA-N 476.555 2.303 5 40 JEBB COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1cc(C)cc(C)c1)C2=O)OC 9216099 SOJWUHWEZAIKSK-XMMPIXPASA-N 482.493 2.462 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 16520816 BOYVFXPMJFRWPE-UHFFFAOYSA-N 476.599 2.295 5 40 JEBB CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 67286281 UYIXVYIEIQHOSD-LJQANCHMSA-N 460.487 2.041 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccccc1CN1CCCC1)S(C)(=O)=O 224771699 ZEXGWAYDKVPTQJ-UHFFFAOYSA-N 476.555 2.282 5 40 JEBB COc1ccccc1-n1c(SCC(=O)N[C@H]2CCS(=O)(=O)C2)nc2cc([N+](=O)[O-])ccc21 8684934 ANLMQKNKWWBVQB-ZDUSSCGKSA-N 476.536 2.338 5 40 JEBB C[C@@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCc1ccc2c(c1)OCO2 9704293 HZBNHJGYPLWJKF-CQSZACIVSA-N 457.439 2.022 5 40 JEBB CN(C)S(=O)(=O)N1CCN(c2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)cc2[N+](=O)[O-])CC1 13632947 LGRRGGNFVZAWDM-UHFFFAOYSA-N 491.614 2.078 5 40 JEBB CCOC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 16956741 JEFMTKKVFZBMIY-ZZKQDXLVSA-N 472.498 2.162 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N/C(=O)c1ccncc1 101177346 SPHCUCDEPCCDCF-REJWMCECSA-N 473.489 2.141 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC[C@H]1COc2ccccc2O1)S(C)(=O)=O 260901612 MLDYXTBAYIRKAK-INIZCTEOSA-N 479.511 2.106 5 40 JEBB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(OC)ccc3[N+](=O)[O-])CC2=O)cc1 408651726 DQSYIWQLOGHOCH-OAHLLOKOSA-N 485.449 2.315 5 40 JEBB CN(C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O)c1ccc([N+](=O)[O-])cc1 11073862 BJLIWWSRHXACKV-JOCHJYFZSA-N 454.439 2.186 5 40 JEBB CCOC(=O)c1ccc2nc3c(=O)[nH]c(=O)nc-3n(CCc3ccc(OC)c(OC)c3)c2c1 8783564 IWJMNCANMKFONX-UHFFFAOYSA-N 450.451 2.021 5 40 JEBB biogenic,in-vitro C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1=O 3380257 FGGJBDLKSKWHBX-FQEVSTJZSA-N 460.830 2.425 5 40 JEBB COC(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc([N+](=O)[O-])c1 12517491 LLOPJSWSAUUKES-AWEZNQCLSA-N 457.439 2.402 5 40 JEBB COc1ccc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)c([N+](=O)[O-])c2)cc1 9284463 RQOFTZJMPOOHID-NRFANRHFSA-N 490.538 2.232 5 40 JEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1cn2cc(Cl)ccc2n1 12525755 KDFDEGLETLFVPP-UHFFFAOYSA-N 452.876 2.496 5 40 JEBB C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)Nc1ccccc1[N+](=O)[O-] 12878032 UUTUJTKEDZIAQD-KGLIPLIRSA-N 455.423 2.289 5 40 JEBB CCOC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cc(S(C)(=O)=O)ccc21 100877372 AWDPITHWMYFRGM-ZCXUNETKSA-N 469.522 2.380 5 40 JEBB Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 9350122 KAWNYORZUKCAHC-YRAONVGVSA-N 450.426 2.474 5 40 JEBB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21)Nc1ccccc1[N+](=O)[O-] 100961903 JLRZGEQAKHTQHR-HOTGVXAUSA-N 473.243 2.289 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1cccs1 2697602 KAYLBSGSLYSCHM-CFINBHSISA-N 471.516 2.474 5 40 JEBB Cn1nnnc1Sc1ccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)cc1[N+](=O)[O-] 9715978 LCMOVEBBISENFU-UHFFFAOYSA-N 450.383 2.343 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 20801040 HCZKSVPJXWSCJK-NHCUHLMSSA-N 481.509 2.132 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 20801212 OIWZSRXNVWVRPH-WOJBJXKFSA-N 469.473 2.262 5 40 JEBB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)cc1 40399914 LXRYCLDJRBGLPW-ZDUSSCGKSA-N 450.411 2.495 5 40 JEBB Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc(C(=O)O)c1O 20153317 AINLMHQOXNPIFB-UHFFFAOYSA-N 460.468 2.270 5 40 JEBB COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1 409138975 KOVCNYJBNQCUCX-UHFFFAOYSA-N 456.484 2.393 5 40 JEBB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9220337 IJUMTZAVCZYOKJ-UHFFFAOYSA-N 460.512 2.468 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1ccccc1 17296818 UHQWTQXDPCQBGP-YWFITGJYSA-N 465.487 2.412 5 40 JEBB O=C1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2c(nc(N3CCc4ccccc4C3)[nH]c2=O)N1 40390677 YEUODQXSACZNHW-QGZVFWFLSA-N 460.450 2.305 5 40 JEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OC[C@@H](O)CNCc1ccc(F)cc1 9950634 ULAPRYMKAOMRKS-KRWDZBQOSA-N 453.492 2.048 5 40 JEBB COC(=O)C1=NN[C@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 16189684 SUGNKSZEZJKGFE-LIRRHRJNSA-N 463.233 2.419 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=CC=NN3[C@H](C(=O)c3ccc(F)cc3)[C@@H]2C1=O 103561817 PRZYYZUUSIPASJ-OBZTUIKSSA-N 464.409 2.339 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3O)c2=O)=N[C@H]1c1ccc([N+](=O)[O-])o1 408729186 AGTXCRJURBEGJJ-BXBOZWQASA-N 455.448 2.114 5 40 JEBB O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccc(F)cc3)nn12)N1CCOCC1 585157947 UGYUOFVSVFBOKS-UHFFFAOYSA-N 451.483 2.395 5 40 JEBB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 3210651 NYEQVEDPIYBJAX-UHFFFAOYSA-N 455.876 2.287 5 40 JEBB O=C(COc1ncnc2cc([N+](=O)[O-])ccc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12530242 LTCMQIAFQBTFKW-UHFFFAOYSA-N 457.468 2.340 5 40 JEBB O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9662456 CHMWFSVZHUOODI-UHFFFAOYSA-N 471.495 2.118 5 40 JEBB CS(=O)(=O)c1ccc(N2CCN(C(=O)CCCNc3ccccc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 12562150 MQDYFVDFWARXAK-UHFFFAOYSA-N 491.526 2.447 5 40 JEBB CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccc([N+](=O)[O-])c1 17316147 JUOHYYXROUBDBJ-GOSISDBHSA-N 452.514 2.467 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224386755 UFBCELVMHNLLDR-UHFFFAOYSA-N 483.568 2.435 5 40 JEBB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-] 408670056 WMUWPOUHOKBKTH-BLMTYFJBSA-N 457.483 2.441 5 40 JEBB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 2577137 FDQGQIQOOURLDD-XQJRBFNUSA-N 495.513 2.334 5 40 JEBB COCCCn1c(=N)c(C(=O)NCc2ccc(OC)cc2)cc2c(=O)n3cccc(C)c3nc21 101158589 XXECOQTWJNXRLZ-UHFFFAOYSA-N 461.522 2.412 5 40 JEBB CNc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(OC)cc3)CC2)cc1[N+](=O)[O-] 12553432 RUOBKHBKVFYFJN-UHFFFAOYSA-N 476.555 2.405 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1cccc([N+](=O)[O-])c1 20801083 OPYLJYQJUOAZMJ-PMACEKPBSA-N 469.473 2.262 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc4c(c3)OCO4)c2=O)=N[C@H]1c1ccc([N+](=O)[O-])o1 408732053 ORUUGAASNQDFCO-QHVUTBCBSA-N 483.458 2.137 5 40 JEBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)Nc1cccc([N+](=O)[O-])c1 408671097 YMUOGDACULFJTR-MRXNPFEDSA-N 453.407 2.165 5 40 JEBB O=C(COC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)N[C@@H]1CCS(=O)(=O)C1 3360879 UKYHACQJNKLBFL-CQSZACIVSA-N 450.494 2.206 5 40 JEBB NC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1 12374508 KVVYMIKSWPHUSH-CZCWKNBQSA-N 497.895 2.144 5 40 JEBB C[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 260920074 FLSZJTZYHYCTKG-KBPBESRZSA-N 469.541 2.030 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 9311944 KNNSJRMLLRFBFY-NCYKPQTJSA-N 474.429 2.117 5 40 JEBB O=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2)Nc1cccc([N+](=O)[O-])c1 22909023 SULNODWALJBIJK-UHFFFAOYSA-N 473.555 2.093 5 40 JEBB COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 107640835 RYFYNRIISRFGLE-KRXBUXKQSA-N 454.351 2.278 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OC)c3)c2=O)=N[C@H]1c1ccc([N+](=O)[O-])o1 408730471 GPUPXLNILVAZCN-LZOLKVDOSA-N 485.474 2.123 5 40 JEBB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])Nc1ccc2c(c1)CCC2 9630879 ZMIRGRPALZUUOU-UHFFFAOYSA-N 461.496 2.122 5 40 JEBB CN1C(=O)N=C(O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@@H]32)C1=O 20546369 IQIGDLUTHTUYKK-YKSBVNFPSA-N 493.476 2.105 5 40 JEBB CN1CCN(S(=O)(=O)c2ccc(NCCCN(C)C(=O)OC(C)(C)C)c([N+](=O)[O-])c2)CC1 32913366 RYNGQNAJDLZURH-UHFFFAOYSA-N 471.580 2.200 5 40 JEBB O=c1cc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc2sc(-c3ccccc3)nn12 41078145 FHIZQXDQVIEGEP-UHFFFAOYSA-N 498.546 2.237 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 22629153 DUYXGPQUXSZECY-UHFFFAOYSA-N 455.496 2.236 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCC1(c2ccccc2)CCOCC1)S(C)(=O)=O 225273586 MXOZMWDOUBWKIN-UHFFFAOYSA-N 477.539 2.234 5 40 JEBB C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 100314134 FKNGYEQSRPKRRR-LBPRGKRZSA-N 451.417 2.311 5 40 JEBB O=[N+]([O-])c1cccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 224379168 OLXDXGAOVMRSGA-UHFFFAOYSA-N 469.541 2.127 5 40 JEBB O=C(COC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)N[C@H]1CCS(=O)(=O)C1 9511232 UKYHACQJNKLBFL-AWEZNQCLSA-N 450.494 2.206 5 40 JEBB O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 26541295 IQBJFLJCNUWDDJ-UHFFFAOYSA-N 481.914 2.095 5 40 JEBB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC(=O)c1ccc([N+](=O)[O-])cc1 3241077 FBWMNQGLUKRHBC-XCVCLJGOSA-N 460.464 2.055 5 40 JEBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8902477 VFHRDJFKAXKEBR-UHFFFAOYSA-N 457.443 2.429 5 40 JEBB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223224112 SFAFVYBTNDHMRJ-LJQANCHMSA-N 494.545 2.362 5 40 JEBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20611806 RJGGNUODCLFEKE-UHFFFAOYSA-N 457.443 2.429 5 40 JEBB CCN(C(=O)[C@H](C)OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 12557713 VZERCTGKJUIRSB-DOTOQJQBSA-N 467.544 2.166 5 40 JEBB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14269644 HWCHPJYWLPQLBG-UHFFFAOYSA-N 460.468 2.265 5 40 JEBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 409183791 DOITWWUNMHQNRG-UHFFFAOYSA-N 451.526 2.488 5 40 JEBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2654494 KBWYKVRMPGLYON-UHFFFAOYSA-N 487.475 2.087 5 40 JEBB Cc1csc(NC(=O)CSc2nc(-c3ccc([N+](=O)[O-])cc3)nc3c2c(=O)n(C)c(=O)n3C)n1 11758241 MCTXRIHHWIAWJC-UHFFFAOYSA-N 499.534 2.098 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1cccc([N+](=O)[O-])c1 20675018 OXUDMFKBWHMRHZ-SFTDATJTSA-N 465.510 2.119 5 40 JEBB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408671763 UPZYHIQQASVNDR-HNNXBMFYSA-N 455.423 2.225 5 40 JEBB COc1cc2c(cc1OC)CN(c1ccc(S(=O)(=O)N3CCOCC3)cc1[N+](=O)[O-])CC2 8968845 CKEZWNRLLMKEIB-UHFFFAOYSA-N 463.512 2.196 5 40 JEBB O=C(COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc2ccccc2c1 8685496 YZQRAPPPJLSXQU-ICSRJNTNSA-N 499.501 2.054 5 40 JEBB Cc1c(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cnn1-c1ccccc1 12777917 QNMQKUWCOCVHPT-UHFFFAOYSA-N 455.496 2.236 5 40 JEBB CC(=O)N[C@@H](Cc1ccccc1F)C(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 13085081 PERLAJQTPWJULC-NRFANRHFSA-N 456.474 2.202 5 40 JEBB CNC1=C([N+](=O)[O-])CC([N+](=O)[O-])=C(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)N1C 3190062 JUIRAEASJSVJBA-UHFFFAOYSA-N 485.423 2.301 5 40 JEBB CC(C)CN(C(=O)COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 9130640 PIZBZFOFEQCMLH-AWEZNQCLSA-N 495.476 2.240 5 40 JEBB CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 22061477 CJWWZUQTCPFLKR-MAQZCZOOSA-N 479.580 2.456 5 40 JEBB COCCCNC(=O)c1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 10339104 ZBRTYNJWENBOPG-UHFFFAOYSA-N 478.527 2.074 5 40 JEBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 13072985 CDSSEXWTDWAUDH-UHFFFAOYSA-N 471.495 2.118 5 40 JEBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCN1CCOCC1 20610240 GSTDEDRWMOUOQO-WIOPSUGQSA-N 489.532 2.093 5 40 JEBB biogenic COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1OC 253487671 NVZSQWMQUAEVAT-RCOXNQKVSA-N 476.445 2.209 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1cccnc1 9252947 OTRZPWVMQFOXSD-LBYPAGOHSA-N 473.489 2.141 5 40 JEBB Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 9382004 NWSNPOXJUIKMQJ-UHFFFAOYSA-N 493.505 2.182 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 15938991 HBZKSFLMPWSZQV-VOMPUTFMSA-N 465.487 2.412 5 40 JEBB CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cccc(S(N)(=O)=O)c1 16046148 BIBLHHALDSWXNY-MRXNPFEDSA-N 454.892 2.289 5 40 JEBB O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 89773125 PVRCMAZRNHSNPU-VXGBXAGGSA-N 457.361 2.271 5 40 JEBB CC[C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224747891 MDWXHTSBOMQMSI-QFIPXVFZSA-N 490.582 2.288 5 40 JEBB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 2290167 BTIHQHWGAFWJGS-JAORQVBISA-N 493.497 2.242 5 40 JEBB CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 9883234 UUPBVJWPSIGGMN-UHFFFAOYSA-N 473.916 2.430 5 40 JEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 104050196 YDSDGRPYRSJFHX-CROMWVBPSA-N 450.426 2.474 5 40 JEBB CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 9380835 YSSDYHBWVPSINK-SFHVURJKSA-N 452.514 2.467 5 40 JEBB CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCC(=O)NC(=O)Cc1ccccc1 9982494 NZFQAHJSRITFTB-HXUWFJFHSA-N 475.885 2.431 5 40 JEBB CC(C)Cc1cnc2c(c1SCC(=O)Nc1ccc([N+](=O)[O-])cc1)c(=O)n(C)c(=O)n2C 15883683 ALDSGZFPZUERPH-UHFFFAOYSA-N 457.512 2.470 5 40 JEBB O=C(c1ccco1)N1CCN(C(=O)C23C[C@H]4C[C@H](C2)CC(n2cnc([N+](=O)[O-])n2)(C4)C3)CC1 100977504 MXCTZZAQVVKSEC-KILAXVPQSA-N 454.487 2.059 5 40 JEBB CCn1c(SCC(=O)N2CCN(C)CC2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 139819648 VRWSBHVBQCPPBZ-IBGZPJMESA-N 489.602 2.199 5 40 JEBB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223035980 SIWNFLWQDCCMMR-HXUWFJFHSA-N 476.555 2.223 5 40 JEBB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223865032 DWUJBVQWRTWYCI-INIZCTEOSA-N 494.545 2.443 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 248150721 VQZWMAZCMCEOKZ-YIKPNSEUSA-N 466.425 2.174 5 40 JEBB C[C@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)NCc1ccc2c(c1)OCO2 9704292 HZBNHJGYPLWJKF-AWEZNQCLSA-N 457.439 2.022 5 40 JEBB CC(C)CCNC(=O)[C@H]1CSCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 69388844 SCZKMVHYUFREAZ-MRXNPFEDSA-N 450.517 2.347 5 40 JEBB COCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccc(OC)cc2)c1=N 100759054 YMLNYDWHAMWTJC-UHFFFAOYSA-N 475.549 2.455 5 40 JEBB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccccc1 2139825 JFHMKKLQAZOWCP-LYPXWFNGSA-N 465.487 2.412 5 40 JEBB Cc1cccc(N2CCN(CCNc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)c1 31577109 NJEHZRMMZCVBIG-UHFFFAOYSA-N 489.598 2.158 5 40 JEBB COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1OC 103562287 NVZSQWMQUAEVAT-DBOLQNLKSA-N 476.445 2.209 5 40 JEBB CCOc1ccc(NC(=S)NC(=O)c2c(I)cnn2C)c([N+](=O)[O-])c1 6089794 MHPAMPZWUBMLBM-UHFFFAOYSA-N 475.268 2.458 5 40 JEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 9373390 SPOAZNPCTZUBIR-DYVFJYSZSA-N 495.485 2.466 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 20801216 OIWZSRXNVWVRPH-VQTJNVASSA-N 469.473 2.262 5 40 JEBB CC(C)CSc1ccc(S(=O)(=O)NCC(=O)O[C@H](C(N)=O)c2ccccc2)cc1[N+](=O)[O-] 29122466 UKMSSSNJJDHGPX-IBGZPJMESA-N 481.552 2.391 5 40 JEBB CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 8684435 KBZRUZABTONGOW-UHFFFAOYSA-N 491.309 2.404 5 40 JEBB aggregator COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 57327796 RTYSJEWSSBEOLP-UHFFFAOYSA-N 474.495 2.353 5 40 JEBB CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1 8898258 BFTAMAWDZWEUPS-UHFFFAOYSA-N 484.582 2.310 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1)S(C)(=O)=O 224578624 KYUHHVRGCVBALF-SFHVURJKSA-N 490.582 2.206 5 40 JEBB CC[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225276310 HZVQGPHEFCUPHT-CVEARBPZSA-N 479.511 2.104 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 20801075 OPYLJYQJUOAZMJ-VQTJNVASSA-N 469.473 2.262 5 40 JEBB COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 9906157 LXXKLASDCOMESP-UHFFFAOYSA-N 456.455 2.311 5 40 JEBB Cc1ccc2nc3c(cc(C(=O)NCc4ccccc4)c(=N)n3CCCN3CCOCC3)c(=O)n2c1 16750702 UGBQEJKFHVREKK-UHFFFAOYSA-N 486.576 2.089 5 40 JEBB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224612765 VSSIMGGTNJYAIF-OAQYLSRUSA-N 490.582 2.347 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 408664332 BRSXCUSMDFQDPF-GFCCVEGCSA-N 458.383 2.046 5 40 JEBB O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl 15048015 OJLZKHBBJJUKTM-IBGZPJMESA-N 460.874 2.313 5 40 JEBB O=C(Nc1nncs1)[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 40151414 BSAFUPWABGDCAN-AWEZNQCLSA-N 480.572 2.476 5 40 JEBB COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1[N+](=O)[O-] 12537937 KWJYDGVFCCPFRG-UHFFFAOYSA-N 491.547 2.452 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 32138865 LPOFZFHOQVUWMQ-OWMRDYPQSA-N 499.501 2.317 5 40 JEBB COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1OC 9911059 OGXBZDIKIAOJLI-UHFFFAOYSA-N 493.538 2.134 5 40 JEBB O=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2)Nc1ccc([N+](=O)[O-])cc1 22909020 RCHLGHUUJFLPRD-UHFFFAOYSA-N 473.555 2.093 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N/C(=O)c1ccncc1 101177350 SPHCUCDEPCCDCF-YVBXHBEMSA-N 473.489 2.141 5 40 JEBB CCOC(=O)C1=NN[C@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 16682643 HCKBTZPGPIKNHH-YWZLYKJASA-N 487.266 2.265 5 40 JEBB O=C(Nc1nnc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)s1)c1ccco1 20486204 JDHBISNDEKWQPZ-UHFFFAOYSA-N 498.930 2.456 5 40 JEBB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CCCNc1ccccc1[N+](=O)[O-] 8825963 LRZWMLRUODPVFJ-UHFFFAOYSA-N 494.526 2.228 5 40 JEBB COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14269626 XPAQLZAOLMNTDU-UHFFFAOYSA-N 461.456 2.475 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 2348938 DTYNHRLKOWVXPW-ZDFPQIBNSA-N 488.456 2.425 5 40 JEBB Cc1cc(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)c([N+](=O)[O-])cc1C 14358643 HJIPTWIEQAVRGX-YJYMSZOUSA-N 499.929 2.075 5 40 JEBB Cc1cccc2c1=NC(=O)C=2NNc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 100511103 PFBDLCNXGIJJDA-UHFFFAOYSA-N 485.909 2.242 5 40 JEBB O=C(NC(C1CC1)C1CC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 12542716 BSSPLBAEMWYBOT-UHFFFAOYSA-N 492.598 2.137 5 40 JEBB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC 225319247 RECIFCQAZJCJRV-UHFFFAOYSA-N 479.511 2.204 5 40 JEBB COCCNC(=O)NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 9395656 PUUXJKJTMBDGRG-UHFFFAOYSA-N 488.881 2.055 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccccc1)S(C)(=O)=O 224830888 BODFXAUPRXYDFG-UHFFFAOYSA-N 451.501 2.345 5 40 JEBB CCOC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@@H](c2cc([N+](=O)[O-])ccc2O)[C@H]1C(=O)OCC 90444887 UJBMHTQZNUGEQA-SCRDCRAPSA-N 454.482 2.399 5 40 JEBB Cc1ccc(O)c(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)c2)c1 9716316 INFGZBLNRMQBEC-UHFFFAOYSA-N 472.479 2.046 5 40 JEBB CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] 9634053 LSCJDGCHORYWRM-UHFFFAOYSA-N 473.916 2.430 5 40 JEBB O=c1/c(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)sc2nc3cc(Br)cnc3n12 408721447 QQLOSYKLLBZMRS-FUQNDXKWSA-N 464.213 2.136 5 40 JEBB O=C(CCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1F 59368313 MWHOQPNAJFPJCN-UHFFFAOYSA-N 467.450 2.369 5 40 JEBB C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)NC[C@H]1CCCO1 9493907 AHJDWCACIMMABG-RDTXWAMCSA-N 477.495 2.236 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 3301390 VEAJFZKVFOMUFW-UHFFFAOYSA-N 465.484 2.429 5 40 JEBB COc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 107588102 BBLBSQHTAAEASK-UHFFFAOYSA-N 485.566 2.277 5 40 JEBB Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1 409133821 QMKIAZIJLUYRIV-UHFFFAOYSA-N 470.467 2.082 5 40 JEBB COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)nc(OC)n1 2030810 DMZCXRMYFBBVCO-UHFFFAOYSA-N 459.440 2.455 5 40 JEBB O=[N+]([O-])c1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)N2CCOCC2)c1 8687816 OQTZETZGDICRIZ-UHFFFAOYSA-N 450.492 2.081 5 40 JEBB aggregator Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@@H](CNS(N)(=O)=O)C3)c([N+](=O)[O-])c2)c(C)c1 62632972 ZFPOVGVIDDWOCV-INIZCTEOSA-N 497.599 2.022 5 40 JEBB CCOC(=O)[C@@H](C)Oc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cccc1[N+](=O)[O-] 107757749 WDJHVSPQFSZHOG-DYTQJMLRSA-N 487.421 2.398 5 40 JEBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1[N+](=O)[O-] 247986848 KAWNYORZUKCAHC-OSJYTEGDSA-N 450.426 2.474 5 40 JEBB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 408670990 RFIQXGNGJSSQGQ-CQSZACIVSA-N 457.439 2.455 5 40 JEBB Cn1c(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)nnc1[C@@H]1COc2ccccc2O1 9119995 PBOUBROGFXCFTR-INIZCTEOSA-N 455.452 2.285 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccc(C)cc1C)S(C)(=O)=O 223882645 XUYPOGZYZPOFPS-UHFFFAOYSA-N 451.501 2.181 5 40 JEBB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 12690944 MHERAZFLEKHBKQ-LBPRGKRZSA-N 455.876 2.487 5 40 JEBB O=C([C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1)N1CCN(Cc2ccccc2)CC1 25329620 WTFDYSRCRZLZBK-HXUWFJFHSA-N 472.567 2.340 5 40 JEBB CN(C)c1ccc(C(=O)c2ccccc2C(=O)NCCNC(=O)c2cccn2C)cc1[N+](=O)[O-] 32754841 FKZUACRMOOAGHR-UHFFFAOYSA-N 463.494 2.390 5 40 JEBB COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@H]3CCCN23)cc1 104003473 YXFPVVIKZVIGCR-DBOLQNLKSA-N 465.462 2.447 5 40 JEBB COc1ccccc1NC(=O)C1=C(C)N=C2NC=NN2[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 34924590 CXVAQYBHRXVAQA-SFHVURJKSA-N 452.427 2.490 5 40 JEBB CNS(=O)(=O)c1ccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cnc([N+](=O)[O-])n2)(C4)C3)cc1 101950404 HLWUWYBAWRRJSN-NILVNCKXSA-N 460.516 2.029 5 40 JEBB COc1ccc(CNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1OC 224831908 HZZUYBBKHVGPHL-UHFFFAOYSA-N 481.527 2.483 5 40 JEBB CCOCCCNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 409127973 DDAADTMWZUMZKT-UHFFFAOYSA-N 481.527 2.350 5 40 JEBB CCN(C(=O)COC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 9612726 CVMUBYRYKNFDIR-RDJZCZTQSA-N 467.544 2.024 5 40 JEBB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 36408757 WYFOXHNIKVTTCE-HNNXBMFYSA-N 460.512 2.131 5 40 JEBB Cn1c(=O)c2c(nc3n(-c4ccc5c(c4)OCCO5)c(-c4cccc([N+](=O)[O-])c4)cn23)n(C)c1=O 9126741 DNJYCVKEYZQWJN-UHFFFAOYSA-N 474.433 2.022 5 40 JEBB Cc1cc(NC(=O)COC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)O)c([N+](=O)[O-])cc1C 14358642 HJIPTWIEQAVRGX-ORAYPTAESA-N 499.929 2.075 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)S(C)(=O)=O 409410884 RWFORBFSPQXSTQ-UHFFFAOYSA-N 482.946 2.372 5 40 JEBB C[C@H](OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9127200 LKVFMDYMASCAOF-AWEZNQCLSA-N 476.511 2.417 5 40 JEBB COC(=O)c1ccc(C[N+]2(C[C@H](O)COC[C@@H]3COc4ccccc4O3)CCOCC2)cc1 3166967 BHCXXDAMIJFRJQ-FCHUYYIVSA-N 458.531 2.038 5 40 JEBB Cn1ccnc1[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1 29769038 WEMJRNIMWPUEPJ-GOSISDBHSA-N 453.842 2.484 5 40 JEBB CN1CCN(C(=O)C23C[C@H]4C[C@H](C2)CC(n2nc([N+](=O)[O-])nc2Br)(C4)C3)CC1 100860089 RGULVGMGLOCRSC-LGBHXNNWSA-N 453.341 2.018 5 40 JEBB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c(OC)c1 408671512 YHYVZAMPDDKPEN-CQSZACIVSA-N 457.439 2.455 5 40 JEBB CN(CCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C 32913363 UGRKBVGSERMQJS-UHFFFAOYSA-N 458.537 2.285 5 40 JEBB COc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(C)C)N[C@@]32C(=O)Nc3ccccc32)c(C)cc1[N+](=O)[O-] 102889477 GJSJKSKMEGFCOS-DBYOASNMSA-N 464.478 2.493 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@]1(C(=O)Nc3ccc(C)cc31)N1CCC[C@H]21 104014697 UZULCSSVBFAWMU-AGFSROSKSA-N 462.462 2.343 5 40 JEBB O=C(COc1cccnc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 6489645 VYVHHCLMHRYEJF-UHFFFAOYSA-N 456.480 2.055 5 40 JEBB COc1cccc(-n2cnn(CN3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c2=S)c1 13063471 IDCHXBKKCNUDFL-UHFFFAOYSA-N 490.567 2.284 5 40 JEBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 9588709 LDQKNFRIWGNFTF-UHFFFAOYSA-N 472.479 2.004 5 40 JEBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)cc1[N+](=O)[O-] 2664254 CXPSVQAOYKPDLM-INIZCTEOSA-N 465.459 2.377 5 40 JEBB CCN(CCO)c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] 72272758 OPKDBKKAXZIPBU-UHFFFAOYSA-N 475.527 2.012 5 40 JEBB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408673309 ZTXZVALRUPYBJU-OAHLLOKOSA-N 454.439 2.396 5 40 JEBB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc(Br)cc1 408638538 RNZHRTOWSXIDEB-ZDUSSCGKSA-N 490.266 2.277 5 40 JEBB CCn1c(=O)sc2cc(NC(=O)CN(c3cc([N+](=O)[O-])ccc3OC)S(C)(=O)=O)ccc21 225089339 NLXSSUQQORWDSS-UHFFFAOYSA-N 480.524 2.404 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 2298192 LMIHGGJSPGROPX-BYHQVZLYSA-N 493.497 2.435 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 9127930 GQVGMQGVEYBZTF-UHFFFAOYSA-N 451.457 2.372 5 40 JEBB Cn1nnnc1Sc1ccc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1[N+](=O)[O-] 9713031 PPNJEADJJSTFMZ-UHFFFAOYSA-N 455.408 2.439 5 40 JEBB CCN1C[C@@H](CN(C)c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)Oc2ccccc21 12633532 YNFOEUJOIPXMST-GOSISDBHSA-N 476.555 2.339 5 40 JEBB C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 14916220 YLONRNBDZQUGNV-MRXNPFEDSA-N 458.540 2.417 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 36047566 HBZKSFLMPWSZQV-JKALPCAWSA-N 465.487 2.412 5 40 JEBB CC(=O)N1CCN(c2ccc(C(=O)Nc3ccn(CCc4ccccn4)n3)cc2[N+](=O)[O-])CC1 62580362 XRFDQDPARCURJX-UHFFFAOYSA-N 463.498 2.350 5 40 JEBB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCN(c2ccccc2)CC1 2786744 YXWSHBVVAPJWCA-GOSISDBHSA-N 458.540 2.344 5 40 JEBB COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 40400114 FNNFJYRLHNBPRT-CYBMUJFWSA-N 450.411 2.495 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1cccs1 408770845 AKOPLCFURZBOSH-IABUVPNTSA-N 499.526 2.497 5 40 JEBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c2ccncc12 12636049 MAQFACAALCMMMI-UHFFFAOYSA-N 456.480 2.425 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](CCSC)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35851541 SVAYYPFVOXXCKI-HTIQSUCMSA-N 482.518 2.282 5 40 JEBB O=C(OCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1cc([N+](=O)[O-])ccc1NCCO 40023640 HAVWDVHOORVWQV-UHFFFAOYSA-N 482.946 2.215 5 40 JEBB COc1cccc(-n2nnc3c(N4CCN(C(=O)c5cccc([N+](=O)[O-])c5C)CC4)ncnc32)c1 10256437 CPQXLJAWUVVNML-UHFFFAOYSA-N 474.481 2.398 5 40 JEBB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC(=S)NC(=O)c1cccs1 9138411 CKHVPOVEXLQDCY-UHFFFAOYSA-N 457.559 2.318 5 40 JEBB O=c1[nH]c2ccccc2n1C1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1 32806383 OSKALAZPMMUSDY-UHFFFAOYSA-N 487.538 2.100 5 40 JEBB CNc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(OC)c3)CC2)cc1[N+](=O)[O-] 8726090 IATSBHZXFUTKFY-UHFFFAOYSA-N 462.528 2.362 5 40 JEBB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])NCCc1ccc(F)cc1 9509253 BDGQKZHHINNIJY-UHFFFAOYSA-N 451.476 2.256 5 40 JEBB Cc1c(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cccc1[N+](=O)[O-] 248117986 QJYFDCKLGAXMGP-RTXPOLOASA-N 450.426 2.474 5 40 JEBB O=C(NCCOCCOCCNC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1 8767959 HXMHGBNWKYJRKV-UHFFFAOYSA-N 476.446 2.479 5 40 JEBB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223216838 VOHBNEJXROONFP-LJQANCHMSA-N 480.518 2.053 5 40 JEBB COCCn1c(=N)c(C(=O)NCCc2ccc(OC)cc2)cc2c(=O)n3cccc(C)c3nc21 101130970 HIGMRBBLEDYYLJ-UHFFFAOYSA-N 461.522 2.065 5 40 JEBB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 9442273 KFMROOHRLDWGDF-UHFFFAOYSA-N 454.439 2.022 5 40 JEBB CC[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 260895387 HZVQGPHEFCUPHT-HOTGVXAUSA-N 479.511 2.104 5 40 JEBB CC[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260903651 PUGFNZUSIFWQSE-DLBZAZTESA-N 463.512 2.404 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 408672810 XDPVCUHEUKNYNN-CYBMUJFWSA-N 472.410 2.355 5 40 JEBB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccccc1 12769216 HFHDYWNNIVQCMW-UHFFFAOYSA-N 455.496 2.236 5 40 JEBB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1cccc2ccccc12 138696055 LNZWNAGQZVFLHI-QGZVFWFLSA-N 476.445 2.423 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1-n1c(=O)c2cc3c(=O)n(-c4cc([N+](=O)[O-])ccc4C)c(=O)c3cc2c1=O 3143270 IEGDOJVSGLFKKN-UHFFFAOYSA-N 486.396 2.324 5 40 JEBB CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 9130930 WLCICKMTIYUYDL-UHFFFAOYSA-N 477.433 2.300 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(OC)cc1 8400276 NDSSTYXKWDQIKJ-VOMPUTFMSA-N 495.513 2.421 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@H]1c1cccc([N+](=O)[O-])c1 10342459 LLSXXBNYTUUFAL-RTWAWAEBSA-N 481.509 2.132 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 219674396 SQCXOBFMWQIEHY-LYFUXTGPSA-N 493.497 2.435 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)CCC3=O)cc2)CC1=O 408674055 YGUKHVTXIDKDQC-ZDUSSCGKSA-N 453.407 2.215 5 40 JEBB CCCCn1c(N)c(N(C)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(=O)[nH]c1=O 13039715 RUHXUOGLXDADRX-UHFFFAOYSA-N 458.519 2.340 5 40 JEBB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccc(Cl)cc4C3)CC2)cc1[N+](=O)[O-] 16061440 OJVYKXQGSQTWEC-OAHLLOKOSA-N 495.941 2.341 5 40 JEBB CCOCCCn1/c(=N/C(=O)c2ccncc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 102920803 NKNRMTIRHNXLMT-XAYXJRQQSA-N 475.505 2.389 5 40 JEBB C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(=O)N1CCNC1=O 27074649 MGIGEAFAIIOVPR-NSHDSACASA-N 458.393 2.314 5 40 JEBB Nc1nnc(SCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)s1 2235755 FTIQEFGOGHFDNJ-UHFFFAOYSA-N 458.528 2.049 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C(=O)Nc3c(C)cccc31)N1CCC[C@H]21 103552304 PENSRQGJEMXDOL-JQGROFRJSA-N 462.462 2.343 5 40 JEBB CC1CCC(NS(=O)(=O)c2ccc(NCCCN3CCC[C@@H](C(N)=O)C3)c([N+](=O)[O-])c2)CC1 58293286 MNTYLLFSEWAHFV-LXPRWKDFSA-N 481.619 2.451 5 40 JEBB Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])cc1C 89570316 VSYYFTLEHWRQFI-UHFFFAOYSA-N 468.482 2.435 5 40 JEBB O=C(COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1OC(F)F 3296388 PNSYCGIDGSNDKM-UHFFFAOYSA-N 463.349 2.364 5 40 JEBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4C=CC=NN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 9317304 VKQYRBOXMWISRT-BQJUDKOJSA-N 474.429 2.117 5 40 JEBB O=C(CSc1ccccc1C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC1CC1 25779960 FNKRHJNIJOEXAT-UHFFFAOYSA-N 498.561 2.471 5 40 JEBB CN1CCN(S(=O)(=O)c2ccc(N3CCC(C(=O)N4CCCCCC4)CC3)c([N+](=O)[O-])c2)CC1 12515901 HXNBPCPXWOSPEF-UHFFFAOYSA-N 493.630 2.150 5 40 JEBB CCOC(=O)[C@@H]1[C@@H](c2cc([N+](=O)[O-])ccc2O)c2sc(=O)[nH]c2S[C@H]1C(=O)OCC 102864526 UJBMHTQZNUGEQA-YRGRVCCFSA-N 454.482 2.399 5 40 JEBB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 9613207 HDQAJOZHWJSIRD-UHFFFAOYSA-N 461.374 2.317 5 40 JEBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C1=O 409242701 XTHRQFXAAABMOW-OVCLIPMQSA-N 455.383 2.302 5 40 JEBB O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCc1ccc(Cl)cc1Cl 3467845 JRFMOMUYTCXROU-UHFFFAOYSA-N 480.260 2.400 5 40 JEBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)CC1 1325130 ZYYSESGIAOEQGX-UHFFFAOYSA-N 459.466 2.491 5 40 JEBB Nc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1[N+](=O)[O-] 12620044 ADMOFKCMWRFSRR-AWEZNQCLSA-N 456.933 2.462 5 40 JEBB COc1cccc(-n2cnn(CN3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)c2=S)c1 13071292 MHIGBKAAARYBSB-UHFFFAOYSA-N 490.567 2.284 5 40 JEBB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224612810 VSSIMGGTNJYAIF-NRFANRHFSA-N 490.582 2.347 5 40 JEBB CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccc([N+](=O)[O-])c1 17316150 JUOHYYXROUBDBJ-SFHVURJKSA-N 452.514 2.467 5 40 JEBB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225583364 JKJSBIMVNHCKAF-MRXNPFEDSA-N 494.545 2.442 5 40 JEBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(Cc4ccncc4)c(=O)c3cc2c1=O 40399119 LVNPZIRYSMYOBV-UHFFFAOYSA-N 456.462 2.352 5 40 JEBB CC(C)[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)N1CCCCCC1 57748603 VTGADFYNRPYJKB-HXUWFJFHSA-N 468.576 2.455 5 40 JEBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1Cl 138514995 RFBQNMRBBRCLJN-AWEZNQCLSA-N 474.857 2.232 5 40 JEBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc([N+](=O)[O-])c(O)cc3O)c2=O)=N1 409034249 MZLHNULJOWKNIK-JYWRCUDFSA-N 481.486 2.118 5 40 JEBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 19431097 MMNOQARXBULODO-UHFFFAOYSA-N 486.456 2.314 5 40 JEBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 32903060 NRIOYVOMGHVLTD-OAQYLSRUSA-N 454.483 2.216 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC[C@@H]1COc2ccccc2O1)S(C)(=O)=O 225277227 CPSKUBAPZUWFBW-QGZVFWFLSA-N 463.512 2.406 5 40 JEBB CCN(C(=O)COC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 9612423 NTHUNBPDHLUPDP-KRWDZBQOSA-N 467.544 2.024 5 40 JEBB COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCCCN2CCOCC2)cc1 16790626 MTGLARKACYCRHA-XLNRJJMWSA-N 468.510 2.213 5 40 JEBB CCn1cnc2c1c(=O)n(CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])c(=O)n2Cc1ccccc1 33788584 LYEJGVZIBWHCBB-UHFFFAOYSA-N 466.429 2.114 5 40 JEBB CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)OCn1nnc2ccccc2c1=O 3431305 MUROXRUPWDNIEJ-KRWDZBQOSA-N 459.846 2.308 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@H]1c1ccc([N+](=O)[O-])cc1 20801320 ZRAMEGMSDFBKQO-SFTDATJTSA-N 481.509 2.132 5 40 JEBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1=O 408530314 KEQNXTTVMMEEEV-NVMNQCDNSA-N 497.489 2.469 5 40 JEBB COC(=O)C1=C(C)NC(C)=C(C(=O)OCCNC(=O)c2cccnc2)[C@@H]1c1ccccc1[N+](=O)[O-] 19923968 QMJYKEPACXDQLH-OAQYLSRUSA-N 480.477 2.371 5 40 JEBB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223487553 HDOZGGNVWZTDKR-HXUWFJFHSA-N 490.582 2.265 5 40 JEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 33917058 YDSDGRPYRSJFHX-GKAYAJSDSA-N 450.426 2.474 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCCC(=O)NC2CCCCC2)CC1 48375080 KEACYLLTLASYNB-UHFFFAOYSA-N 480.587 2.259 5 40 JEBB Cc1ccc2nc3c(cc(C(=O)NC[C@H]4CCCO4)c(=N)n3CCCOC(C)C)c(=O)n2c1 101111481 MNSPARNEGJLODA-QGZVFWFLSA-N 453.543 2.161 5 40 JEBB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222381592 LTIOVOHDHAMOOP-QGZVFWFLSA-N 476.555 2.141 5 40 JEBB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223216785 VOHBNEJXROONFP-IBGZPJMESA-N 480.518 2.053 5 40 JEBB Cc1cccn2c(=O)c3cc(C(=O)NC[C@@H]4CCCO4)c(=N)n(CCCOC(C)C)c3nc12 101075869 MHOJJRVWQPYVMN-KRWDZBQOSA-N 453.543 2.161 5 40 JEBB Cc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 224378384 WMDGXKVTLGJBML-UHFFFAOYSA-N 483.568 2.435 5 40 JEBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2[C@H](C)O1 9236652 KUOCMCREKMYJIL-GQKVQPOMSA-N 450.451 2.403 5 40 JEBB COc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2=O)cc1OC 9829814 VXXXFFXSVUJHAK-INIZCTEOSA-N 469.498 2.249 5 40 JEBB Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 10385912 IKNHWTBQMZRQLV-UHFFFAOYSA-N 465.491 2.365 5 40 JEBB NS(=O)(=O)c1ccc(NCCC(=O)NCCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 12608342 QRDIFYSOCGQTAN-UHFFFAOYSA-N 460.434 2.422 5 40 JEBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccc5c(c4)OCO5)c(=N)n(C[C@@H]4CCCO4)c3nc12 101152216 KTGHMVUPUNAGGU-KRWDZBQOSA-N 487.516 2.275 5 40 JEBB Cc1nn(Cc2ccc(C(=O)Nc3cnn(C)c3C(=O)NCc3cnn(C)c3)cc2)c(C)c1[N+](=O)[O-] 2805327 AMMQBBOUZLFDPS-UHFFFAOYSA-N 491.512 2.106 5 40 JEBB Cc1cc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)sn1 9379089 ACSHQBOIPHEIRI-UHFFFAOYSA-N 495.583 2.236 5 40 JEBB C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)NC[C@H]1CCCO1 9493735 AHJDWCACIMMABG-KBXCAEBGSA-N 477.495 2.236 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1cccs1 17296820 KAYLBSGSLYSCHM-GANRHZMWSA-N 471.516 2.474 5 40 JEBB O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)Nc1cccc([N+](=O)[O-])c1 3240015 BOLYORJAVLGJLI-UHFFFAOYSA-N 453.498 2.239 5 40 JEBB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)cc1 25285598 UYVFRRAHMDLXIY-UHFFFAOYSA-N 473.511 2.085 5 40 JEBB CCN(c1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1)S(C)(=O)=O 8756196 UPAZBYUPHRBNQD-NRFANRHFSA-N 474.495 2.031 5 40 JEBB COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCC[C@@H]43)C2=O)cc1OC 8974521 XXMOFHNHUMANIH-BWKNWUBXSA-N 494.504 2.444 5 40 JEBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1cc(=O)n2c(n1)sc1ccccc12 24777884 JYZJBLSCHIAWOJ-UHFFFAOYSA-N 464.415 2.157 5 40 JEBB CS(=O)(=O)c1ccc(NCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c([N+](=O)[O-])c1 9223248 RJKRIFQYCKPSDH-UHFFFAOYSA-N 477.282 2.294 5 40 JEBB O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1N[C@H]1CCS(=O)(=O)C1 9442329 VSTJSQXXWKXHHR-AWEZNQCLSA-N 483.524 2.156 5 40 JEBB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222960404 UCICEWRESVIYCY-OAHLLOKOSA-N 480.518 2.053 5 40 JEBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccccc1 33752935 BUFGCLZUHJOGRK-UHFFFAOYSA-N 455.540 2.268 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O 260947439 VOGHSFZQDCIICK-LSDHHAIUSA-N 483.568 2.339 5 40 JEBB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)c(OC)c1 408669746 OFBDAGRDUSBRCH-CYBMUJFWSA-N 473.438 2.155 5 40 JEBB CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(oc(=O)c3ccccc32)c1C)C(=O)O 2125411 FLVKNLJMPJFGOU-ZSEKCTLFSA-N 454.479 2.365 5 40 JEBB biogenic COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O 248340204 UKIMYBMMSAINOY-CDNOPDGFSA-N 462.462 2.343 5 40 JEBB O=C(N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9572826 UUNJQVPMFQATPD-INIZCTEOSA-N 467.482 2.003 5 40 JEBB O=C(COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc2ccccc2c1 8685498 YZQRAPPPJLSXQU-QUCCMNQESA-N 499.501 2.054 5 40 JEBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 40399230 CQUREPPTSZATFX-ZDUSSCGKSA-N 450.411 2.495 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 408672704 ZNKXRBIGNIGFAF-MELFWRNSSA-N 473.482 2.141 5 40 JEBB CC(C)[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)C(=O)NC(N)=O 9283172 XHRGBXWLDJKHER-MRXNPFEDSA-N 498.901 2.425 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 34707238 POENWRGRCRFJLW-OWMRDYPQSA-N 499.501 2.317 5 40 JEBB C[C@@H](NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 89904783 RQPCBNTZXXTAFH-HZPDHXFCSA-N 464.519 2.306 5 40 JEBB Cc1c(Cl)cccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 9491671 GZTPKRUXDVEAEP-UHFFFAOYSA-N 484.918 2.083 5 40 JEBB Cc1cc(NC(=O)CSc2nnc(N3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)s2)no1 35597071 CFRNJKGPMJCTHS-UHFFFAOYSA-N 479.500 2.029 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](CCSC)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 105796325 SVAYYPFVOXXCKI-LEWJJULVSA-N 482.518 2.282 5 40 JEBB CCOC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1cccc([N+](=O)[O-])c1 12413226 VWPBKGTWIUCHCB-HNNXBMFYSA-N 465.509 2.481 5 40 JEBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]3C=CC=NN32)cc1OC 138037397 AHWPIDXIVWTZQJ-ZXNZYJFHSA-N 476.445 2.209 5 40 JEBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 13108830 HJFZCBDJCHLBMX-UHFFFAOYSA-N 492.441 2.162 5 40 JEBB O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8831492 DTWHEGXBGVCWJY-UHFFFAOYSA-N 471.539 2.395 5 40 JEBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] 9469661 WJTYULIEYKVXHP-UHFFFAOYSA-N 482.522 2.380 5 40 JEBB O=C(NCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 9613392 OMTIPFBGZUZTQJ-IZZDOVSWSA-N 492.941 2.123 5 40 JEBB CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] 8824774 GKEYLABADBRDQO-CYBMUJFWSA-N 479.536 2.116 5 40 JEBB Cc1cc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)cc3C2=O)no1 408659410 JMLBWUUUXWOVKN-UHFFFAOYSA-N 450.363 2.487 5 40 JEBB Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 21203279 OKQAGJOWMJAHMO-UHFFFAOYSA-N 455.496 2.236 5 40 JEBB CN1CCN(S(=O)(=O)c2ccc(N3CCCN(Cc4ccc(F)cc4)CC3)c([N+](=O)[O-])c2)CC1 35292529 ONXHSZDJQIECIJ-UHFFFAOYSA-N 491.589 2.382 5 40 JEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCN(CCN2CCCC2)CC1 12586288 PAOFCYLHTLKLMH-UHFFFAOYSA-N 465.620 2.377 5 40 JEBB NC(=O)c1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)sc2c1CCC2 57316636 BWKKELDTODIALQ-UHFFFAOYSA-N 475.552 2.207 5 40 JEBB C[C@H](NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 89904782 RQPCBNTZXXTAFH-JKSUJKDBSA-N 464.519 2.306 5 40 JEBB CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 8832542 IFVGEESKSOGHQX-UHFFFAOYSA-N 453.499 2.352 5 40 JEBB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 9630789 APECHAHARKTFAO-UHFFFAOYSA-N 462.484 2.028 5 40 JEBB CSCC[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 26946648 JWEZFCMKECGVBU-QLDGJZPUSA-N 452.492 2.273 5 40 JEBB O=C1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2c(nc(N3CCc4ccccc4C3)[nH]c2=O)N1 40390685 SKASNMVSNHXHHE-QGZVFWFLSA-N 460.450 2.305 5 40 JEBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1ccncc1 101081172 RWXFZLONJJSGNG-SLMZUGIISA-N 475.505 2.307 5 40 JEBB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cccc2ccccc12 408664714 QWFPSEFNAKAEHT-INIZCTEOSA-N 476.445 2.423 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O 408671136 SXAYKRBESLARGD-CYBMUJFWSA-N 472.410 2.355 5 40 JEBB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 3366678 AOAWCBGNOLBEMB-UHFFFAOYSA-N 474.857 2.285 5 40 JEBB O=c1cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc2sc(-c3ccccc3)nn12 32996224 NVIQAKIZKUNKAZ-UHFFFAOYSA-N 498.546 2.237 5 40 JEBB COCc1n[nH]c(-n2ccc3nc4ccn(CCc5ccc(OC)c(OC)c5)c(=O)c4cc3c2=O)n1 40399013 GYPRQCSDFTZBBS-UHFFFAOYSA-N 488.504 2.225 5 40 JEBB COc1cccc([C@H](CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])N(C)C)c1 13112833 AUJQIXXCGAHMJS-QFIPXVFZSA-N 477.587 2.254 5 40 JEBB CCOc1ccc([C@@H](CNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)N2CCOCC2)cc1OC 32739255 KSRAVCCOHPTYKX-GOSISDBHSA-N 461.519 2.005 5 40 JEBB O=C(CN1CCCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1)N1CCCC1 24765250 DQQNHBPAAJOTAW-UHFFFAOYSA-N 493.630 2.294 5 40 JEBB C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C)c1ccc(F)cc1 9120151 OGLYCRVVQLLADV-LLVKDONJSA-N 460.447 2.443 5 40 JEBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(N)=O 16195359 PAHARNDYIGNRLO-UHFFFAOYSA-N 453.293 2.432 5 40 JEBB CCOC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2cc(S(C)(=O)=O)ccc21 100877360 NNAFKFLTNQLQBI-VXPUYCOJSA-N 463.493 2.319 5 40 JEBB COc1cccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 224820200 HNNDEVJQRMJRCL-UHFFFAOYSA-N 451.501 2.345 5 40 JEBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1 408572532 JJFMYGPLLQTATG-UHFFFAOYSA-N 458.427 2.407 5 40 JEBB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1 408670162 WTZMHMRSXIOBFB-KRWDZBQOSA-N 482.493 2.395 5 40 JEBB Cc1nc(N2CCc3ccccc3C2)ncc1C(=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 585265299 HOJYJTSOMWHGSV-UHFFFAOYSA-N 453.480 2.375 5 40 JEBB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224078292 PBXGNRGPIHAXSO-SFHVURJKSA-N 490.582 2.265 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1cccc([N+](=O)[O-])c1 20801079 OPYLJYQJUOAZMJ-UXHICEINSA-N 469.473 2.262 5 40 JEBB Cc1ccc2nc3c(cc(C(=O)NC[C@@H]4CCCO4)c(=N)n3CCCOC(C)C)c(=O)n2c1 101111476 MNSPARNEGJLODA-KRWDZBQOSA-N 453.543 2.161 5 40 JEBB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1 9518681 WDMAMRUTMLXGSL-UHFFFAOYSA-N 477.524 2.450 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 20675060 YCEKYLLJPSHYAB-VQTJNVASSA-N 469.473 2.262 5 40 JEBB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O 409230967 HIRRUXFHCDRPBJ-RIYZIHGNSA-N 456.411 2.152 5 40 JEBB CC(C)CSc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C(N)=O)c2ccccc2)cc1[N+](=O)[O-] 29122465 UKMSSSNJJDHGPX-LJQANCHMSA-N 481.552 2.391 5 40 JEBB CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1OC 15814500 BKDDMGOAXGELQM-UHFFFAOYSA-N 463.512 2.290 5 40 JEBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@@H]4[C@@H]3C2=O)cc1 101592955 VKQYRBOXMWISRT-MHTWAQMVSA-N 474.429 2.117 5 40 JEBB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223532103 RIWVBJAATYYWAZ-QGZVFWFLSA-N 476.555 2.223 5 40 JEBB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s1)CS2 3439022 YQIVMNLGKDPUMF-SJKOYZFVSA-N 468.538 2.277 5 40 JEBB O=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)Nc1ccc([N+](=O)[O-])cc1 9124827 YDHOAAJJNITGDL-INIZCTEOSA-N 451.432 2.069 5 40 JEBB O=C(O)c1ccccc1NS(=O)(=O)c1ccc(NNC(=S)NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 9631561 DQRVVVNHKFTPEU-LBPRGKRZSA-N 495.539 2.064 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](CCSC)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35895166 HJUNOOOQDQIEJY-NSNOHRKYSA-N 482.518 2.282 5 40 JEBB CS(=O)(=O)N(CCCC(=O)NCc1ccc(CN2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 224582396 BUYUZMBXLGYWMU-UHFFFAOYSA-N 490.582 2.290 5 40 JEBB CS(=O)(=O)N(CCCC(=O)NCc1cccc(CN2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 224749188 BDIFLHLTEGNCCS-UHFFFAOYSA-N 490.582 2.290 5 40 JEBB COc1cccc(OCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 224831773 GXFGCZBQJXUBKB-UHFFFAOYSA-N 481.527 2.353 5 40 JEBB Cc1c(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cccc1[N+](=O)[O-] 20477658 QJYFDCKLGAXMGP-QPXQOZNCSA-N 450.426 2.474 5 40 JEBB Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)c(=N)n(Cc4ccncc4)c3nc12 100851410 DGIRIEXRFYFTNO-UHFFFAOYSA-N 451.490 2.205 5 40 JEBB CSCC[C@@H]1NC(=O)N(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1=O 16694776 ZEDTUGLOMOBNDP-ZDUSSCGKSA-N 461.466 2.367 5 40 JEBB COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 40400118 UISHSDBTRIRZNI-CYBMUJFWSA-N 450.411 2.495 5 40 JEBB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 9511989 GKNXJUJJBXPUBJ-UHFFFAOYSA-N 452.920 2.461 5 40 JEBB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 9381061 UTVGQHGDUWXHBM-UHFFFAOYSA-N 490.563 2.361 5 40 JEBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 12531028 ZLRKPOTVTVVHFE-UHFFFAOYSA-N 461.905 2.070 5 40 JEBB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 13914994 ZJSHSLVLYWMMNG-MRCZTLKWSA-N 495.513 2.334 5 40 JEBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@H]4[C@@H]3C2=O)cc1 253488007 VKQYRBOXMWISRT-TUFLPTIASA-N 474.429 2.117 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1cccc(OC)c1 31937027 PCDGLAFKCDBRED-QYQHSDTDSA-N 476.489 2.222 5 40 JEBB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225393561 PHOCOWXACISOIH-AWEZNQCLSA-N 482.946 2.178 5 40 JEBB O=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4763613 WUIDOEMFFHRNRC-UHFFFAOYSA-N 457.512 2.179 5 40 JEBB COc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 9545926 GIRAPEYSVDSWBL-UHFFFAOYSA-N 473.463 2.217 5 40 JEBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1CCN1CCOCC1 15956548 FTHDVJZSIXPSSM-RCZVLFRGSA-N 489.532 2.093 5 40 JEBB biogenic CN1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(n2nc([N+](=O)[O-])nc2Br)(C4)C3)CC1 17136195 RGULVGMGLOCRSC-NLKGSNSHSA-N 453.341 2.018 5 40 JEBB O=C(Oc1cccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105720030 DCXSJKCRIYUPPN-SNAWJCMRSA-N 469.322 2.177 5 40 JEBB Cc1ccc(SCCNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 9464870 MLJSVJHNZGUQCK-UHFFFAOYSA-N 495.579 2.211 5 40 JEBB C[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 19076911 FFVKDPNVUPLVSA-VIFPVBQESA-N 499.914 2.102 5 40 JEBB CCOC(=O)c1ccc(N2C(=O)C[C@H](NC3CCN(c4ncccc4[N+](=O)[O-])CC3)C2=O)cc1 100211109 ZYFLNXIFMLFNDN-SFHVURJKSA-N 467.482 2.057 5 40 JEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=CC=NN1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 253487925 UBGFRGFUWFQAGY-FUMNGEBKSA-N 475.417 2.408 5 40 JEBB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc(Br)cc1 408638537 RNZHRTOWSXIDEB-CYBMUJFWSA-N 490.266 2.277 5 40 JEBB COc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(Br)cc2)c([N+](=O)[O-])c1 16215658 NXMSQOXATBNIKL-UHFFFAOYSA-N 459.274 2.388 5 40 JEBB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 524729855 LXZZYFXAGSOWQJ-GJZGRUSLSA-N 477.473 2.376 5 40 JEBB biogenic C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN(C)Cc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 40086153 HWNYHVDSSNPDPO-IRXDYDNUSA-N 476.555 2.463 5 40 JEBB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 9446122 ZXOYLWQQRKUSRH-UHFFFAOYSA-N 467.500 2.139 5 40 JEBB Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)cc1S(=O)(=O)N1CCCCC1 9140298 ONMIHPNJBIOSQF-UHFFFAOYSA-N 451.457 2.466 5 40 JEBB NS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 9562414 IEWLGTZUTUKRBQ-UHFFFAOYSA-N 476.492 2.295 5 40 JEBB CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)c1C 12748161 GTKSCZIOIRMCSV-UHFFFAOYSA-N 450.517 2.188 5 40 JEBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@@H]4[C@@H]3C2=O)cc1 253488005 VKQYRBOXMWISRT-ANULTFPQSA-N 474.429 2.117 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOCc1ccccc1)S(C)(=O)=O 224831632 WGYRIMLWGSIAPZ-UHFFFAOYSA-N 465.528 2.483 5 40 JEBB O=[N+]([O-])c1ccccc1[C@H](O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 9097301 HFNUXPHLBGMKQU-NRFANRHFSA-N 462.528 2.319 5 40 JEBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(O)c4nnn(Cc5ccccc5)c4n3)C2)cc1 13083692 WVIBWNRRVUMUOB-INIZCTEOSA-N 495.521 2.452 5 40 JEBB CCOC(=O)c1ccc(N2C(=O)C[C@@H](NC3CCN(c4ncccc4[N+](=O)[O-])CC3)C2=O)cc1 18217972 ZYFLNXIFMLFNDN-GOSISDBHSA-N 467.482 2.057 5 40 JEBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4F)C[C@@H]32)C1=O 9090134 QJZVWEXNMUOJMY-LJQANCHMSA-N 467.457 2.022 5 40 JEBB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 9546029 WFLZYLSAQQJSIZ-UHFFFAOYSA-N 483.886 2.065 5 40 JEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1nnc(NC[C@H]2CCCO2)s1 15140910 ISEMVHYRHLOCLK-GFCCVEGCSA-N 487.585 2.209 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 35843138 UKIMYBMMSAINOY-AYFLJRIOSA-N 462.462 2.343 5 40 JEBB CC(=O)N[C@H](Cc1cccc(C)c1)C(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 8690224 YVMUATRPXIPMKZ-JOCHJYFZSA-N 452.511 2.371 5 40 JEBB O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@@H](CN1CCOCC1)c1ccccc1)OCCCO2 32895553 CNVIUZLVCKVPAC-KRWDZBQOSA-N 463.512 2.108 5 40 JEBB CC(=O)Nc1ccc(OC[C@H](O)Cn2c(=O)c(N3CCCC3)nc3ccc([N+](=O)[O-])cc32)cc1 30531391 GJZMYYOOWMELNE-GOSISDBHSA-N 467.482 2.303 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 101590045 DTYNHRLKOWVXPW-NMIHRBCNSA-N 488.456 2.425 5 40 JEBB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 408670989 RFIQXGNGJSSQGQ-AWEZNQCLSA-N 457.439 2.455 5 40 JEBB COC(CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O)OC 8952490 AWPUNSMXKSJZMR-WMZHIEFXSA-N 464.478 2.380 5 40 JEBB biogenic CC(C)[C@H](OC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)C(=O)NC(N)=O 9283171 XHRGBXWLDJKHER-INIZCTEOSA-N 498.901 2.425 5 40 JEBB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223035922 SIWNFLWQDCCMMR-FQEVSTJZSA-N 476.555 2.223 5 40 JEBB CN1CCN(S(=O)(=O)c2ccc(N[C@@H](CN3CCOCC3)c3ccccc3)c([N+](=O)[O-])c2)CC1 12553893 RKPQCFVOZPQIIC-QFIPXVFZSA-N 489.598 2.016 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1 16682344 YSLDMUPZTRZVBC-CFINBHSISA-N 471.516 2.474 5 40 JEBB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 408670952 XTXMHGQXSGFDIT-OAHLLOKOSA-N 455.423 2.306 5 40 JEBB COCCNC(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 8686637 LZLRVFOGIDQBOC-UHFFFAOYSA-N 454.486 2.140 5 40 JEBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(O)c4nnn(Cc5ccccc5)c4n3)C2)cc1 13083690 WVIBWNRRVUMUOB-MRXNPFEDSA-N 495.521 2.452 5 40 JEBB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cccc(C(F)(F)F)c1 408662035 PDTROZQJYYBPHO-GFCCVEGCSA-N 494.382 2.289 5 40 JEBB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 12998677 ZQJHPMJPYZQGCX-OAHLLOKOSA-N 452.393 2.451 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O 223880084 VOGHSFZQDCIICK-GJZGRUSLSA-N 483.568 2.339 5 40 JEBB CC[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225276261 PUGFNZUSIFWQSE-IAGOWNOFSA-N 463.512 2.404 5 40 JEBB Cc1ccc(S(=O)(=O)NCCCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 12462450 GCJHOZYSNVGWJB-UHFFFAOYSA-N 486.528 2.157 5 40 JEBB CCOC(=O)c1cc(C(=O)OCC(=O)NCCc2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 12916326 LLKIUXUCSGMCST-UHFFFAOYSA-N 458.423 2.058 5 40 JEBB COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)nc(OC)n1 2132551 ZEJYHTIMXYMBFJ-UHFFFAOYSA-N 459.440 2.455 5 40 JEBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@@H]2[C@@H](C)O1 102772180 ZCMOZOPBXLRFNM-HMWXEIDOSA-N 464.478 2.398 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1cccc(CN2CCOCC2)c1)S(C)(=O)=O 224745706 HNLDJUBXVQWHEM-SFHVURJKSA-N 490.582 2.206 5 40 JEBB CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O)N1Cc2ccccc2C1=O 604405962 UWQITYYDGMLSCI-KUDFPVQQSA-N 450.495 2.383 5 40 JEBB biogenic O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cc2c3c(c1)CC(=O)N3CCC2 9353350 LZKBYASFGMRCSZ-UHFFFAOYSA-N 465.462 2.306 5 40 JEBB O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccc([N+](=O)[O-])cc1 9580171 KLBIACODHBESFD-UHFFFAOYSA-N 459.436 2.462 5 40 JEBB Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] 9717010 CEQNAKFVJSHUJU-UHFFFAOYSA-N 498.517 2.228 5 40 JEBB COc1cccc(-n2cnn(CN3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)c2=S)c1 13071274 UJCVTHDNLFDJCC-UHFFFAOYSA-N 490.567 2.284 5 40 JEBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)N1C[C@H](C)O[C@H](C)C1 21101461 OMRUMKWRASMLSI-IIYDPXPESA-N 487.962 2.279 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224309662 GWEJYGFYIAZMDN-UHFFFAOYSA-N 469.541 2.045 5 40 JEBB COC(=O)c1ccc(C[N+]2(C[C@H](O)COC[C@H]3COc4ccccc4O3)CCOCC2)cc1 3166963 BHCXXDAMIJFRJQ-VXKWHMMOSA-N 458.531 2.038 5 40 JEBB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 9510201 YSVMFYXCBIOJBA-KRWDZBQOSA-N 481.552 2.485 5 40 JEBB COC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1ccccc1 17243161 UOORXCGPQRPNKZ-OXRZLYTFSA-N 451.460 2.022 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccc([N+](=O)[O-])cc1 20801175 HCZUQGXMVNWSNX-SFTDATJTSA-N 465.510 2.119 5 40 JEBB COc1ccc(-n2nnc3c(N4CCN(C(=O)c5cccc([N+](=O)[O-])c5C)CC4)ncnc32)cc1 10256408 KQKSNCXPPWIHCI-UHFFFAOYSA-N 474.481 2.398 5 40 JEBB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCCc4cc([N+](=O)[O-])ccc43)C2=O)cc1OC 16807291 JWBLANOSTSEHQB-QHCPKHFHSA-N 468.466 2.358 5 40 JEBB O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 19848475 NKGDMGRGPZNKST-UHFFFAOYSA-N 494.529 2.351 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccncc1 2496184 SPHCUCDEPCCDCF-LBYPAGOHSA-N 473.489 2.141 5 40 JEBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(=N)n(CCCN4CCOCC4)c3nc12 2701186 DZMMIGSNRKYRLW-UHFFFAOYSA-N 486.576 2.089 5 40 JEBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)N[C@H]1CCS(=O)(=O)C1 8686016 RSGWBCPCDWVGHB-ZDUSSCGKSA-N 464.500 2.468 5 40 JEBB O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1 12806773 DBCLMJUFYPRQPZ-LAUBAEHRSA-N 485.566 2.427 5 40 JEBB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)c1 16917328 RVEGCPBYGUBIII-UHFFFAOYSA-N 481.417 2.211 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1ccccc1[N+](=O)[O-] 9634414 IXGPUNXDDMPOCE-QLYXXIJNSA-N 491.460 2.122 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1ccc(OC)cc1 59418497 IFIHJFIFXHOXAH-JCAJYURWSA-N 495.513 2.421 5 40 JEBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 8643656 FVWIGBYMYOLMGS-UHFFFAOYSA-N 465.462 2.215 5 40 JEBB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 12557512 FQNKJJJSTCDSPR-UHFFFAOYSA-N 460.512 2.120 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 20801164 HCZUQGXMVNWSNX-NHCUHLMSSA-N 465.510 2.119 5 40 JEBB COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2C)c1 9699347 FRDYSHKZKFMQEB-UHFFFAOYSA-N 456.484 2.393 5 40 JEBB COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 9907850 FSDLNFPTESGNNU-UHFFFAOYSA-N 456.455 2.067 5 40 JEBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1N1CCN(CCO)CC1 33014454 LLLBYCKHIDGYPO-UHFFFAOYSA-N 485.360 2.272 5 40 JEBB Cc1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 408670063 WMUWPOUHOKBKTH-UVPINQTDSA-N 457.483 2.441 5 40 JEBB CC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 9097058 CAZIWCDLSZLRNP-UHFFFAOYSA-N 466.903 2.353 5 40 JEBB Cn1c(=O)c2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(-c3cccs3)nc2n(C)c1=O 9411550 DUWJJYONFBXAJD-UHFFFAOYSA-N 484.519 2.395 5 40 JEBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@@H]2CCCN21 248119089 CUMJHSMWEYUXTD-UBPTVHNVSA-N 478.461 2.043 5 40 JEBB CS(=O)(=O)c1ccc(N2CCN(C(=O)c3cncn3-c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 9889871 VYIZLVVUNWIYMZ-UHFFFAOYSA-N 473.486 2.286 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 59418610 ZYIQTBMDMMOPHJ-VPEZWSJASA-N 483.458 2.028 5 40 JEBB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222511795 QJQIVCPOHGTJMF-AWEZNQCLSA-N 482.946 2.178 5 40 JEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 248133458 YDSDGRPYRSJFHX-RTXPOLOASA-N 450.426 2.474 5 40 JEBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1cccc(F)c1 9064486 RKTBFEHGVKSXOB-UHFFFAOYSA-N 473.530 2.407 5 40 JEBB O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1CCNC1=NS(=O)(=O)c2ccccc21 22565029 JJWSYYVMUMMDSG-RVDMUPIBSA-N 458.477 2.370 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 102549281 KFTWQOYSBQMODJ-KCESLBEFSA-N 450.451 2.184 5 40 JEBB CC(=O)N1CCN(c2ccc(C(=O)NCc3ccc(Cn4ccnc4)cc3)cc2[N+](=O)[O-])CC1 32859981 MQQSQHFVBUEXIX-UHFFFAOYSA-N 462.510 2.438 5 40 JEBB Cc1cccc(N2CCN(c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[N+](=O)[O-])CC2)c1C 89686584 XZXDGHFEDJABRV-UHFFFAOYSA-N 473.599 2.474 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 408664337 BRSXCUSMDFQDPF-LBPRGKRZSA-N 458.383 2.046 5 40 JEBB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1[N+](=O)[O-] 9544544 RFPFMNFXQCGTJK-MRXNPFEDSA-N 491.522 2.417 5 40 JEBB CCCn1c(COc2cccnc2[N+](=O)[O-])nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12627565 MCKNUYGYXHRHQG-UHFFFAOYSA-N 461.500 2.349 5 40 JEBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)/C=C\C=C\OC 195534997 UYPVFKVFAQWUEH-NBCMVEAPSA-N 492.532 2.457 5 40 JEBB C[C@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCCO2 9631974 OKQUYTWGSPRVMR-AWEZNQCLSA-N 457.439 2.387 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1ccc([N+](=O)[O-])cc1 20801300 RVSQSXOHBCRVNT-UXHICEINSA-N 469.473 2.262 5 40 JEBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 15436471 MEWLXHGIGPREFD-UHFFFAOYSA-N 472.479 2.004 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)on2)C3=O)c1 408664895 PRFFGFFJXYXWML-UHFFFAOYSA-N 480.389 2.496 5 40 JEBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20611808 FZFBGDICPGSUHA-UHFFFAOYSA-N 457.443 2.429 5 40 JEBB CC(C)N(CCNS(=O)(=O)c1ccc(NCCNc2cnccn2)c([N+](=O)[O-])c1)C(C)C 23172064 SHYYGVWFIVNTSG-UHFFFAOYSA-N 465.580 2.306 5 40 JEBB C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12982763 OGZDWHMDSGJBIN-MRXNPFEDSA-N 458.540 2.417 5 40 JEBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1NCCCN1CCOCC1 19597440 GQLJCRAJQBUXPR-UHFFFAOYSA-N 489.598 2.240 5 40 JEBB O=C(COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)NCc1ccco1 11442023 PRPVORKXPFMNPF-UHFFFAOYSA-N 485.902 2.102 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 49705696 UKIMYBMMSAINOY-MDTICMOCSA-N 462.462 2.343 5 40 JEBB O=C(CSc1nnc2nc3[nH]c4ccccc4c3nn12)OCN1C(=O)c2ccccc2C1=O 20533914 DNPLUZFGSXNDQV-UHFFFAOYSA-N 459.447 2.043 5 40 JEBB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1 24320462 QPESBMWBEXKANV-UHFFFAOYSA-N 461.544 2.287 5 40 JEBB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222967992 QATIQBWGQSOEMR-MRXNPFEDSA-N 494.545 2.362 5 40 JEBB CCOC(=O)c1ccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 8837373 VUUVTOLUQMTJSN-IBGZPJMESA-N 452.491 2.298 5 40 JEBB biogenic CS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1[N+](=O)[O-] 9508870 PQIASQHWGYDISW-UHFFFAOYSA-N 479.492 2.322 5 40 JEBB CS(=O)(=O)N(c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br)S(C)(=O)=O 62566646 FLLWCVZWOVUDME-UHFFFAOYSA-N 492.329 2.335 5 40 JEBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)NC[C@@H]1CCCO1 408609297 ZENIYWQPVHRLME-OWNNVSBGSA-N 460.443 2.039 5 40 JEBB Cc1c(CCOC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc[n+]1CCCCS(=O)(=O)O 9086884 OWSQBOSBRUSBEQ-UHFFFAOYSA-O 474.493 2.228 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 20675009 OXUDMFKBWHMRHZ-NHCUHLMSSA-N 465.510 2.119 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc[nH]3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409178097 JHZLPFNPMOPYHD-GTENMVSRSA-N 452.492 2.343 5 40 JEBB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])cc2)CC1 11853072 FKKBLBBLPHBQDM-UHFFFAOYSA-N 492.510 2.319 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCCO3)CC1 12995641 VTCIAOJPNCNGMU-UHFFFAOYSA-N 475.523 2.392 5 40 JEBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]3[C@@H]3CCCN32)cc1 248155744 YXFPVVIKZVIGCR-DVWBAYGPSA-N 465.462 2.447 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](CCSC)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 9359475 SVAYYPFVOXXCKI-NSNOHRKYSA-N 482.518 2.282 5 40 JEBB Cc1cc(C(=O)NC(=S)NNS(=O)(=O)c2ccc(Br)cc2)ccc1[N+](=O)[O-] 9373283 IGAGTZRYXPHJFP-UHFFFAOYSA-N 473.330 2.164 5 40 JEBB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 408576282 WWVMWJFHRHVNBF-UHFFFAOYSA-N 483.525 2.222 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=CC=NN1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 18087669 NDUQKTWFNDNHNA-MVJPYGJCSA-N 491.416 2.109 5 40 JEBB NC(=O)c1c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)sc2c1CCCC2 9612722 HFRQGYNZKDHOMT-UHFFFAOYSA-N 488.522 2.266 5 40 JEBB COc1ccc(S(=O)(=O)CC(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 10219418 ONHPIBPIOZJGDJ-UHFFFAOYSA-N 476.536 2.336 5 40 JEBB CN(C)C(=O)Cn1c(=O)/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s/c1=C/C(=O)C(C)(C)C 33684596 MQWYEMRYNFCWTM-MMYQVZLOSA-N 483.546 2.391 5 40 JEBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 3143965 HJJAVSZMLHCVEI-UHFFFAOYSA-N 459.330 2.499 5 40 JEBB COC(=O)c1sc(NC(=O)COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C(=O)OC)c1C 3442046 SPMVTVXPVLPXNS-UHFFFAOYSA-N 466.424 2.342 5 40 JEBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)NC[C@H]1CCCO1 408609291 ZENIYWQPVHRLME-IZPAUZPXSA-N 460.443 2.039 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 36047565 HBZKSFLMPWSZQV-SQWSFHKJSA-N 465.487 2.412 5 40 JEBB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 9616430 NCSMGBRXDZZTBQ-UHFFFAOYSA-N 451.505 2.336 5 40 JEBB CC(=O)N1CCN(CC(=O)Nc2c(Br)cc([N+](=O)[O-])cc2Br)CC1 34863293 VWPGIISWPWHQKN-UHFFFAOYSA-N 464.114 2.222 5 40 JEBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)cc1 408534556 SXJFUCDOFGCLOG-NVMNQCDNSA-N 497.489 2.469 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1ccccc1 2697399 UHQWTQXDPCQBGP-SQWSFHKJSA-N 465.487 2.412 5 40 JEBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1C 10680540 HRKCZUKCGWOXGG-UHFFFAOYSA-N 459.571 2.405 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1cccc([N+](=O)[O-])c1 20675063 YCEKYLLJPSHYAB-UXHICEINSA-N 469.473 2.262 5 40 JEBB CC(=O)N1CCN(c2ccc(Oc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])cc2)CC1 9579647 YZRJXUCUJDFMKH-UHFFFAOYSA-N 490.538 2.077 5 40 JEBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1OC 253486868 AHWPIDXIVWTZQJ-DVWBAYGPSA-N 476.445 2.209 5 40 JEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12648187 KGXIIOSZVMBEHT-OAHLLOKOSA-N 480.518 2.466 5 40 JEBB COc1ccc([C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1OC 20046264 PLSICQQUJZYFHB-ZDUSSCGKSA-N 467.500 2.264 5 40 JEBB C[C@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 223880222 FLSZJTZYHYCTKG-UONOGXRCSA-N 469.541 2.030 5 40 JEBB O=C(CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1)NCc1ccc2c(c1)OCO2 9440415 WDRMVMNQFJNBJO-UHFFFAOYSA-N 488.478 2.123 5 40 JEBB C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)NC[C@@H]1CCCO1 9493733 AHJDWCACIMMABG-KSSFIOAISA-N 477.495 2.236 5 40 JEBB O=c1[nH]c(/C=C/c2cc(Br)cc(I)c2O)c([N+](=O)[O-])c(=O)[nH]1 108170762 IQWWALKXNMBAMU-OWOJBTEDSA-N 480.012 2.215 5 40 JEBB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 408658858 JAMNKUHZJLUKBU-YHURMRGJSA-N 489.484 2.495 5 40 JEBB O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 15431515 VNCZAPZEZYUPAV-HNNXBMFYSA-N 465.915 2.332 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 59418611 ZYIQTBMDMMOPHJ-QHVUTBCBSA-N 483.458 2.028 5 40 JEBB CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1 9192021 PWRDNWAOQUKFNL-UHFFFAOYSA-N 453.499 2.352 5 40 JEBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 104055710 JQLILFXQTBDGDW-ZHNFZGJGSA-N 462.462 2.343 5 40 JEBB O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)C1 1335021 RJMPPYYFYWYGEY-KRWDZBQOSA-N 459.466 2.491 5 40 JEBB CSCC[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 16009664 RYTYBAMWBXKNBE-MSQSPTIYSA-N 452.492 2.273 5 40 JEBB O=C(COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(F)cc1[N+](=O)[O-] 9545242 JLIYFWIEAKDHSZ-UHFFFAOYSA-N 461.427 2.347 5 40 JEBB COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1OC 13085469 GKCGZTXOVSSMTO-OAQYLSRUSA-N 498.536 2.080 5 40 JEBB CCS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc2c(c1)OCCO2 14396706 HGXPERKGLDHQRN-UHFFFAOYSA-N 451.457 2.169 5 40 JEBB COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1cccc(C)c1C)C2=O)OC 9433809 UBVRBNYYIXMABU-XMMPIXPASA-N 482.493 2.462 5 40 JEBB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 16009602 JWEZFCMKECGVBU-ORGXJRBJSA-N 452.492 2.273 5 40 JEBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccncc1 101119733 CAFDLMWSAYPHBY-FEWXOWJYSA-N 487.516 2.449 5 40 JEBB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 408660312 NPZCFEQBVSWQOZ-YJKZWKBDSA-N 455.467 2.217 5 40 JEBB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s1)CS2 3439012 YQIVMNLGKDPUMF-SJCJKPOMSA-N 468.538 2.277 5 40 JEBB CNS(=O)(=O)c1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2cnc([N+](=O)[O-])n2)(C4)C3)cc1 101950410 HLWUWYBAWRRJSN-RCRDTURJSA-N 460.516 2.029 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 8970318 KFTWQOYSBQMODJ-KGYLXKDPSA-N 450.451 2.184 5 40 JEBB O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N1c1ccc(Cl)cc1 9123269 SWBRQCZOTHIJNB-DYESRHJHSA-N 456.842 2.279 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O 10370912 NZFNYGILSMACHO-UHFFFAOYSA-N 496.567 2.092 5 40 JEBB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 39983363 WMNXGZNOSORUIK-UHFFFAOYSA-N 494.426 2.235 5 40 JEBB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 11026209 GMVCUDXEPAABIF-UHFFFAOYSA-N 483.886 2.065 5 40 JEBB O=C(c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 9971943 AXLCUCBSMXCYAK-UHFFFAOYSA-N 494.957 2.232 5 40 JEBB O=C1[C@H]2[C@@H]3C=C[C@](CNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])(O3)[C@@H]2C(=O)N1Cc1ccccc1 100510335 ZGOAXPXRXHEUGY-ZVVDCOBXSA-N 450.407 2.424 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=CC=NN3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 104085240 NDUQKTWFNDNHNA-OBZTUIKSSA-N 491.416 2.109 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)c1 138952366 YYOPVUYOGDOHGM-LBPRGKRZSA-N 488.409 2.055 5 40 JEBB O=C1NC(=S)N=C(O)C12[C@H](c1ccc([N+](=O)[O-])cc1)NC(=S)N[C@@H]2c1ccc([N+](=O)[O-])cc1 20133267 BPGRWHROPUQIKW-OKILXGFUSA-N 486.491 2.121 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccc(CN2CCCC2)c1)S(C)(=O)=O 224606017 WSSSJUHEHOTFTG-UHFFFAOYSA-N 476.555 2.282 5 40 JEBB COC(=O)c1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1N1CCOCC1 9907760 NEPMWDBYYMJRBS-UHFFFAOYSA-N 470.482 2.307 5 40 JEBB COc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)cc1OC 32935712 SSLQDOIDMRUYJS-UHFFFAOYSA-N 489.510 2.169 5 40 JEBB C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]12 9236651 KUOCMCREKMYJIL-PEYHYLNSSA-N 450.451 2.403 5 40 JEBB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 32810618 MNMWONIWFGKDQD-UHFFFAOYSA-N 474.539 2.275 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 34707236 POENWRGRCRFJLW-ZZODWALSSA-N 499.501 2.317 5 40 JEBB O=C([C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCN(c2ccccc2)CC1 2786743 YXWSHBVVAPJWCA-SFHVURJKSA-N 458.540 2.344 5 40 JEBB COc1cc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1OCC(=O)N1CCOCC1 12483178 JCKVKXOLSPMCKO-UHFFFAOYSA-N 488.449 2.065 5 40 JEBB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccccc1C(F)(F)F 408654416 GOUQYJATCGKYTG-LBPRGKRZSA-N 494.382 2.289 5 40 JEBB COc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 9064698 RLFMOJADOIROGV-UHFFFAOYSA-N 461.456 2.475 5 40 JEBB 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JEBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC[C@@H]1COc2ccccc2O1)S(C)(=O)=O 225277159 MLDYXTBAYIRKAK-MRXNPFEDSA-N 479.511 2.106 5 40 JEBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=CC=NN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 101592945 VKQYRBOXMWISRT-BURNTYAHSA-N 474.429 2.117 5 40 JEBB O=[N+]([O-])c1ccc(S(=O)(=O)N(c2cccnc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 6156809 ACBYCEPNRLPLRP-UHFFFAOYSA-N 464.437 2.482 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)N2CCC(C)CC2)CC1 8774921 IEBREXUATPYCGA-KRWDZBQOSA-N 481.571 2.494 5 40 JEBB CCCCCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(CC(OC)OC)C2)C1=O 9434000 ZCOSOQKDUXBSGB-JOCHJYFZSA-N 462.503 2.221 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 104006561 YXHHOQGOVZDCFY-YRAONVGVSA-N 450.426 2.474 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc([N+](=O)[O-])o3)c2=O)=N[C@@H]1c1ccc2c(c1)OCO2 409335425 WUPIWBFXBWFURM-SCFJZMLDSA-N 483.458 2.137 5 40 JEBB 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CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222949792 ISFVOWWXAFUOQC-LJQANCHMSA-N 476.555 2.223 5 40 JEBB Cc1c(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cccc1[N+](=O)[O-] 248117981 QJYFDCKLGAXMGP-LVBDUCALSA-N 450.426 2.474 5 40 JEBB COc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1[N+](=O)[O-] 22568949 ODQUHIXOPJJRQN-UHFFFAOYSA-N 461.456 2.475 5 40 JEBB CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 17306452 AUZQCCKGBSRPCD-UHFFFAOYSA-N 469.497 2.106 5 40 JEBB COc1ccc([C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1OC 20046261 PLSICQQUJZYFHB-CYBMUJFWSA-N 467.500 2.264 5 40 JEBB COC(=O)C1=NN[C@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 16189688 SUGNKSZEZJKGFE-KUHUBIRLSA-N 463.233 2.419 5 40 JEBB O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22707637 YPZUKIQJGSSRHR-UHFFFAOYSA-N 471.539 2.395 5 40 JEBB CCCN(CCC)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 12798803 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C[C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225060635 CPPIUPQKZHXYRJ-NSHDSACASA-N 450.498 2.301 5 40 JEBB CCn1c(Cn2cnc([N+](=O)[O-])n2)nnc1SCC(=O)Nc1ccc(Br)cc1 3624465 DJRNAVWYTKUGOE-UHFFFAOYSA-N 467.309 2.339 5 40 JEBB COc1cccc(-n2nnc3c(N4CCN(C(=O)/C=C\c5ccc([N+](=O)[O-])cc5)CC4)ncnc32)c1 10256451 CVFTULQGJTWAPF-YFHOEESVSA-N 486.492 2.489 5 40 JEBB COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1 107646045 AJLLKPLLQVBEQW-UHFFFAOYSA-N 470.511 2.435 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc([N+](=O)[O-])o3)c2=O)=N[C@H]1c1ccc([N+](=O)[O-])cc1 408730852 JMBMZLLFCLQQIJ-KAPURRDVSA-N 484.446 2.317 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 16001989 UZULCSSVBFAWMU-GHCZAOPSSA-N 462.462 2.343 5 40 JEBB COc1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1OC 19889989 SOZBJTJEGMTZJK-UHFFFAOYSA-N 451.501 2.127 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(C)(=O)=O 19943146 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O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5)c4n3)CC2)c1 13083241 XTVBDATTZLYHRH-UHFFFAOYSA-N 495.521 2.452 5 40 JEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3N=CC=C[C@@H]3[C@@H]2C1=O 33642267 UBGFRGFUWFQAGY-WCIQWLHISA-N 475.417 2.408 5 40 JEBB CS(=O)(=O)[C@@](Br)(I)[C@H](O)c1ccc([N+](=O)[O-])cc1 96520965 DTWXMGUNCLVQCE-BDAKNGLRSA-N 450.048 2.157 5 40 JEBB CC[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223882708 GDAIXCHDYCQGOH-IFXJQAMLSA-N 483.568 2.420 5 40 JEBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1 13564760 NWPNZZWTMRVCML-UHFFFAOYSA-N 456.503 2.081 5 40 JEBB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1 20102969 XOIJZOFCYGSGBT-GOSISDBHSA-N 482.493 2.395 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 20801044 HCZKSVPJXWSCJK-LEWJYISDSA-N 481.509 2.132 5 40 JEBB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1 138729330 YCIVPSLPHOPOTP-ZDUSSCGKSA-N 474.857 2.232 5 40 JEBB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223659561 MVCJPBKKNHRGJI-QGZVFWFLSA-N 476.555 2.223 5 40 JEBB COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1OC 13085471 GKCGZTXOVSSMTO-NRFANRHFSA-N 498.536 2.080 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2nnc(C)s2)C3=O)c1 408691312 ZHKDXNFCLKMURW-UHFFFAOYSA-N 497.445 2.359 5 40 JEBB COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1N1CCOCC1 9906144 WCZUZUGYZOXFQQ-UHFFFAOYSA-N 470.482 2.307 5 40 JEBB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21)Nc1ccccc1[N+](=O)[O-] 100961904 JLRZGEQAKHTQHR-HZPDHXFCSA-N 473.243 2.289 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)N2CCC(C)CC2)CC1 8774924 IEBREXUATPYCGA-QGZVFWFLSA-N 481.571 2.494 5 40 JEBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1CCCc2ccccc21 8880519 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495.535 2.145 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(-n2ccnc2C)cc1)S(C)(=O)=O 30864644 QWRBUMBTPGKOFU-UHFFFAOYSA-N 457.512 2.480 5 40 JEBB COc1ccc(CNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC 224820351 JMEAGOCMUICZND-UHFFFAOYSA-N 451.501 2.475 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1 408669308 VTMBRCBCSFDUED-OAHLLOKOSA-N 483.433 2.174 5 40 JEBB O=C1NC(=S)N=C(O)C12[C@@H](c1ccc([N+](=O)[O-])cc1)NC(=S)N[C@@H]2c1ccc([N+](=O)[O-])cc1 20133264 BPGRWHROPUQIKW-ZIAGYGMSSA-N 486.491 2.121 5 40 JEBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1=O 31633070 HXIQHJXPUBCWTL-OAQYLSRUSA-N 471.495 2.040 5 40 JEBB Cc1cccc2c1=NC(=O)C=2NNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 100496557 ZFPLRBQOLRQKOW-UHFFFAOYSA-N 485.909 2.242 5 40 JEBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCCN21 16001393 CYAYEQKWETZYTR-CMCWBKRRSA-N 462.462 2.343 5 40 JEBB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O 22058503 SGKAFPZEWPRADH-JOCHJYFZSA-N 471.901 2.364 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](CCSC)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 102889034 HJUNOOOQDQIEJY-HTIQSUCMSA-N 482.518 2.282 5 40 JEBB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224648766 PBRRLPLKRKWTGP-QGZVFWFLSA-N 476.555 2.304 5 40 JEBB COc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] 8683993 GVALBUOYYOAOEH-UHFFFAOYSA-N 462.480 2.430 5 40 JEBB aggregator CC(=O)Oc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC(C)=O)c1OC(C)=O 9439451 ROWLPHVLOPGQGQ-UHFFFAOYSA-N 459.363 2.410 5 40 JEBB COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] 9595475 GDZCFGDFCCLOLB-UHFFFAOYSA-N 457.226 2.217 5 40 JEBB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13040915 IBXBHJRBSSMDPK-UHFFFAOYSA-N 451.313 2.392 5 40 JEBB O=C(COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F)Nc1ccc([N+](=O)[O-])cc1 9124826 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CCOC(=O)C1=C(C)n2c(s/c(=C\c3cccc([N+](=O)[O-])c3)c2=O)=N[C@H]1c1ccc([N+](=O)[O-])o1 408731813 PZOCOYWEEQGUIV-BXBOZWQASA-N 484.446 2.317 5 40 JEBB CCN1C[C@H](CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])Oc2ccccc21 35344226 YHYGAMLWXJWSQB-SFHVURJKSA-N 489.598 2.255 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 59418420 KGDATEVONSCXKT-ZZODWALSSA-N 499.501 2.317 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)c1 138952268 YYOPVUYOGDOHGM-GFCCVEGCSA-N 488.409 2.055 5 40 JEBB COc1ccccc1OCCNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 224831565 QQNUXUWBLXSCSC-UHFFFAOYSA-N 481.527 2.353 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408672705 ZNKXRBIGNIGFAF-NFKIQKPMSA-N 473.482 2.141 5 40 JEBB COc1cc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C2=O)cc(OC)c1OC 32814334 DBFQCLUKTMNWDT-JOCHJYFZSA-N 472.454 2.335 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O 248340206 UKIMYBMMSAINOY-FROCWPDGSA-N 462.462 2.343 5 40 JEBB COc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(N[C@@H]3C(C)C)C(=O)Nc3ccccc32)c(C)cc1[N+](=O)[O-] 35851595 GJSJKSKMEGFCOS-UECWXEIQSA-N 464.478 2.493 5 40 JEBB COC(=O)C1=NN[C@@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 16189686 SUGNKSZEZJKGFE-IFXJQAMLSA-N 463.233 2.419 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 22820312 POENWRGRCRFJLW-FVECTHPASA-N 499.501 2.317 5 40 JEBB O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 40051314 BBMWTOOTIXKGOY-OAHLLOKOSA-N 478.427 2.393 5 40 JEBB Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 9426789 AUNXVQKTCATXKH-UHFFFAOYSA-N 455.452 2.357 5 40 JEBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21 35840424 DGSJIPGDKZIUTJ-MTXNFPGFSA-N 462.462 2.343 5 40 JEBB CSCC[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 102891431 RYTYBAMWBXKNBE-QLDGJZPUSA-N 452.492 2.273 5 40 JEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3N=CC=C[C@@H]3[C@@H]2C1=O 253487926 UBGFRGFUWFQAGY-FYQPLNBISA-N 475.417 2.408 5 40 JEBB CCCCCn1c(=N)c(C(=O)NCCCN2CCOCC2)cc2c(=O)n3cccc(C)c3nc21 16741786 ZKRLPTWTVHFAQO-UHFFFAOYSA-N 466.586 2.079 5 40 JEBB C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@H]12 9236228 ACOOERAXNZDZTQ-FCRVGAKHSA-N 478.505 2.441 5 40 JEBB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Br)cc1 13856674 KWJLOQVZVRFLPC-AWEZNQCLSA-N 490.266 2.277 5 40 JEBB COc1ncc[nH]c1=NS(=O)(=O)c1ccc(NC(=O)C=Cc2ccc([N+](=O)[O-])s2)cc1 1857775471 FNPPHVLYVGMZMZ-UHFFFAOYSA-N 461.481 2.330 5 40 JEBB CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] 8824775 GKEYLABADBRDQO-ZDUSSCGKSA-N 479.536 2.116 5 40 JEBB CN(CCOc1ccc(Cl)cc1)C(=O)CNS(=O)(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 32967371 VCYZXHPVVPFGLU-UHFFFAOYSA-N 470.935 2.130 5 40 JEBB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222519044 MVXBBKSYZGMAEB-OAHLLOKOSA-N 496.973 2.486 5 40 JEBB CC[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 260895390 HZVQGPHEFCUPHT-JKSUJKDBSA-N 479.511 2.104 5 40 JEBB C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12982766 OGZDWHMDSGJBIN-INIZCTEOSA-N 458.540 2.417 5 40 JEBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(Nc2nc(C(F)(F)F)cc(=O)[nH]2)CC1 13564892 CLWWLAUWZAUTSE-UHFFFAOYSA-N 470.408 2.221 5 40 JEBB C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 89904785 RQPCBNTZXXTAFH-CVEARBPZSA-N 464.519 2.306 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccc(OC)cc1 2139845 NDSSTYXKWDQIKJ-SQWSFHKJSA-N 495.513 2.421 5 40 JEBB CNc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 9635606 MPYKQVMPWMNEGR-LLVKDONJSA-N 470.891 2.139 5 40 JEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20477456 YDSDGRPYRSJFHX-QPXQOZNCSA-N 450.426 2.474 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 22820319 POENWRGRCRFJLW-KDMTZKAISA-N 499.501 2.317 5 40 JEBB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 224432956 OYPVTOSKGZYPFI-UHFFFAOYSA-N 469.903 2.078 5 40 JEBB C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 100314131 FKNGYEQSRPKRRR-GFCCVEGCSA-N 451.417 2.311 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc([N+](=O)[O-])o3)c2=O)=N[C@H]1c1cccc([N+](=O)[O-])c1 408731393 MCFVJNFQQVRTBM-KAPURRDVSA-N 484.446 2.317 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 18046581 KNNSJRMLLRFBFY-XSDIEEQYSA-N 474.429 2.117 5 40 JEBB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 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CSCC[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 9319118 JWEZFCMKECGVBU-MSQSPTIYSA-N 452.492 2.273 5 40 JEBB Cc1ccc(S(=O)(=O)N2CC[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)C[C@@]([N+](=O)[O-])(C3)C2)cc1 100692316 UKCUWKUCDNOWSU-DENIHFKCSA-N 493.607 2.424 5 40 JEBB CCOC(=O)[C@H](C)Oc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cccc1[N+](=O)[O-] 107757758 WDJHVSPQFSZHOG-GQVHDAKQSA-N 487.421 2.398 5 40 JEBB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225055472 ZKQSVTQNPJHZRH-GOSISDBHSA-N 490.582 2.347 5 40 JEBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20410824 YAPQBSLJSKTJKH-UHFFFAOYSA-N 457.443 2.429 5 40 JEBB COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22568940 YGAFIAFVXXCORB-UHFFFAOYSA-N 461.456 2.475 5 40 JEBB Cn1c(=O)c2c(SCC(=O)Nc3cccc(F)c3)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O 9411414 CUVTYARJDGWYTF-UHFFFAOYSA-N 496.480 2.472 5 40 JEBB O=C(Nc1ccc(-n2cccn2)nc1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12528025 RSYOPLURMIVZEQ-GOSISDBHSA-N 456.484 2.357 5 40 JEBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccc(F)cc4)C[C@@H]32)C1=O 9015882 CQHJLPBXJUCXKJ-LJQANCHMSA-N 467.457 2.022 5 40 JEBB CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCC(=O)NC(=O)Cc1ccccc1 9982486 NZFQAHJSRITFTB-FQEVSTJZSA-N 475.885 2.431 5 40 JEBB CCOC(=O)C1=NN[C@@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 16682646 HCKBTZPGPIKNHH-FOIQADDNSA-N 487.266 2.265 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1cccs1 17296822 KAYLBSGSLYSCHM-BXBHGGAKSA-N 471.516 2.474 5 40 JEBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1[N+](=O)[O-] 33739362 HBKQENYDIPFAMY-UHFFFAOYSA-N 471.470 2.311 5 40 JEBB Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c(C)c1[N+](=O)[O-] 3409396 PIQHLMPJUJOUCW-UHFFFAOYSA-N 476.342 2.248 5 40 JEBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 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O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 22229410 PZKZFNHQJAXTCG-UHFFFAOYSA-N 460.512 2.067 5 40 JEBB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 105795975 JWEZFCMKECGVBU-FBAVSBLXSA-N 452.492 2.273 5 40 JEBB Nc1cc2c(cc1[N+](=O)[O-])OCCOCCOc1cc([N+](=O)[O-])ccc1OCCOCCO2 6445429 MKYSAZDSKSLAAO-UHFFFAOYSA-N 465.415 2.347 5 40 JEBB O=C(c1ccc(N2CCCCC2=O)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 8750751 BIDPWRKEHDVRCL-UHFFFAOYSA-N 472.523 2.258 5 40 JEBB CNc1ccc(S(=O)(=O)NCC(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1[N+](=O)[O-] 9512114 XRPYBQXOLOPKPX-UHFFFAOYSA-N 475.479 2.381 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C(=O)Nc3ccc(C)cc31)N1CCC[C@H]21 104014704 UZULCSSVBFAWMU-JSAFQYNZSA-N 462.462 2.343 5 40 JEBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 12617839 UOOXWVMTSHGGHY-UHFFFAOYSA-N 471.875 2.059 5 40 JEBB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(Cl)c1 408636297 NOXGXJQDFFCTEH-UHFFFAOYSA-N 457.892 2.499 5 40 JEBB O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1CN(c1ccc(I)cc1)CN=2 2344336 PTQPRZAGWCJWOW-SXGWCWSVSA-N 492.298 2.306 5 40 JEBB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])Nc1ccccc1C(=O)NC1CC1 9254728 CULWUFWVQNWNPT-UHFFFAOYSA-N 488.522 2.289 5 40 JEBB CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N(CCc4ccccc4)C(=O)N=C3O)[C@@H]2C1 36329155 YFDMJGABDQTZBF-GBXCKJPGSA-N 463.494 2.419 5 40 JEBB O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)C1 1335024 RJMPPYYFYWYGEY-QGZVFWFLSA-N 459.466 2.491 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 9510343 ULYFPHZFNAQDFK-UHFFFAOYSA-N 476.555 2.353 5 40 JEBB O=C(CCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCN(c2ncccn2)CC1 12522906 MBWSSWFGWAUCOX-UHFFFAOYSA-N 493.490 2.265 5 40 JEBB CC(C)c1ccccc1OC[C@H](O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 13148526 HCGVKNIPTAUHLS-LJQANCHMSA-N 463.556 2.464 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1ccco1 100820878 PXOJCCQQLZSNAC-QQTULTPQSA-N 450.451 2.197 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 408672311 VNRXDYPKYMEAEX-LBPRGKRZSA-N 458.383 2.046 5 40 JEBB CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2)N1Cc2ccccc2C1=O 1547138149 UWQITYYDGMLSCI-WJPUGNRLSA-N 450.495 2.383 5 40 JEBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 9049480 FBICEYWTUNZPRP-UHFFFAOYSA-N 454.892 2.223 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCN(c2ccccc2F)CC1)S(C)(=O)=O 10315355 RZSJSKGJQNAKHE-UHFFFAOYSA-N 450.492 2.157 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3N=CC=C[C@H]3[C@@H]2C1=O 253487640 NDUQKTWFNDNHNA-KNTRFNDTSA-N 491.416 2.109 5 40 JEBB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 15623837 QKTMAFVZPIXQKE-FQEVSTJZSA-N 492.529 2.021 5 40 JEBB O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N[C@@H]1CCCc2ccccc21 34864547 VWVBJEZVRMTZDM-LJQANCHMSA-N 458.540 2.095 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 20675033 NJZJNBQDRBKWGL-WOJBJXKFSA-N 451.483 2.123 5 40 JEBB COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1ccc(C)cc1)C2=O)OC 9253736 LNLKLRGFUIVWEK-HSZRJFAPSA-N 468.466 2.154 5 40 JEBB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3Cc4cc(Cl)ccc4O3)CC2)cc1[N+](=O)[O-] 12856090 PBNCUTODTKXQPS-LJQANCHMSA-N 481.914 2.093 5 40 JEBB COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@H]3CCCN32)cc1 34704281 YXFPVVIKZVIGCR-QYRPDUKASA-N 465.462 2.447 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](CCSC)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 106018874 HJUNOOOQDQIEJY-LEWJJULVSA-N 482.518 2.282 5 40 JEBB COc1cc2c(cc1OC)C(C[C@@H](c1ccccc1[N+](=O)[O-])c1c(O)n(C)c(=O)n(C)c1=O)=NCC2 13540783 ULJTTXQHUDMHBD-KRWDZBQOSA-N 494.504 2.282 5 40 JEBB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O 22058500 SGKAFPZEWPRADH-QFIPXVFZSA-N 471.901 2.364 5 40 JEBB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222559625 PDZJOTMLHNLZTJ-AWEZNQCLSA-N 482.946 2.178 5 40 JEBB COc1ccc(C(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)cc1[N+](=O)[O-] 8824872 OMZIPKMCYIDRPG-UHFFFAOYSA-N 465.216 2.331 5 40 JEBB COc1cc(NC(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)cc1[N+](=O)[O-] 8825192 FWYKPDHLDXPUCZ-UHFFFAOYSA-N 474.426 2.452 5 40 JEBB Cc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC3)cc1 12342408 DGGBBFRKBMEGIC-UHFFFAOYSA-N 481.552 2.105 5 40 JEBB O=C(Oc1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 109059449 VFTBHTOYWSIUOT-ZZXKWVIFSA-N 469.322 2.177 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]3C=CC=NN32)cc1 15987046 KNNSJRMLLRFBFY-BQJUDKOJSA-N 474.429 2.117 5 40 JEBB COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)cc1[N+](=O)[O-] 21580588 VSKRPHJRAJRTQN-HNNXBMFYSA-N 492.554 2.329 5 40 JEBB Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 409148603 YUFZWLGRAGSNKW-UHFFFAOYSA-N 470.467 2.082 5 40 JEBB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 12538247 WYFOXHNIKVTTCE-OAHLLOKOSA-N 460.512 2.131 5 40 JEBB O=C(NCCCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 13135009 FFFGBRHDHAIHAS-UHFFFAOYSA-N 494.957 2.291 5 40 JEBB CNC(=O)c1ccn(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)n1 58172165 SMZRNAWQPPCEQP-UHFFFAOYSA-N 450.455 2.229 5 40 JEBB COc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1S(=O)(=O)NC(C)C 59057163 LRAXJMRRJMZMNG-UHFFFAOYSA-N 462.528 2.253 5 40 JEBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 9127976 RCBBABHEVHEPCT-UHFFFAOYSA-N 498.897 2.493 5 40 JEBB Cc1c(NC(=O)CCN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cccc1[N+](=O)[O-] 32903061 WAJCTQUPOWDSLV-NRFANRHFSA-N 454.483 2.216 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1cccc(OC)c1 2139803 ZFHSNOVOCBTEKO-JKALPCAWSA-N 495.513 2.421 5 40 JEBB COCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccc(OC)cc2)c1=N 101269127 YHUXMNVXNOOMDY-UHFFFAOYSA-N 461.522 2.260 5 40 JEBB Cc1nc(N(C)CCc2ccccc2)ncc1C(=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 585265660 NXHSMJIAJCKSJT-UHFFFAOYSA-N 455.496 2.491 5 40 JEBB COc1cccc(CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])c1OC 36329831 IPMYGAQMULMSOW-UHFFFAOYSA-N 464.544 2.185 5 40 JEBB COC(CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O)OC 2159371 AWPUNSMXKSJZMR-CVDCTZTESA-N 464.478 2.380 5 40 JEBB biogenic CCC(CC)NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 9616414 ZZLMKQZNJNSCHN-UHFFFAOYSA-N 468.576 2.137 5 40 JEBB O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1 12806763 DBCLMJUFYPRQPZ-UWJYYQICSA-N 485.566 2.427 5 40 JEBB CC(C)NS(=O)(=O)c1ccc(N2CCN(CCCOCC(F)(F)F)CC2)c([N+](=O)[O-])c1 48287936 MTTORJXWTWGAFG-UHFFFAOYSA-N 468.498 2.373 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc([N+](=O)[O-])o3)c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])cc1 408730853 JMBMZLLFCLQQIJ-SPQRHKFCSA-N 484.446 2.317 5 40 JEBB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]2C)cc1 13632985 RVZZYUCDEPJFNH-ZDUSSCGKSA-N 463.472 2.361 5 40 JEBB COc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c([N+](=O)[O-])c1 22568955 VMHVXAYKEPYBRI-UHFFFAOYSA-N 461.456 2.475 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)CCC3=O)c2)CC1=O 408658558 JQCYMYBMHLNGIZ-ZDUSSCGKSA-N 453.407 2.215 5 40 JEBB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cc([N+](=O)[O-])ccc21 100821182 DYZUGAPJSBJDIM-MRCUWXFGSA-N 476.536 2.393 5 40 JEBB CCCCn1c(=O)n(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c(=O)c2c1ncn2CCOC 32957974 MBMZBKLTFUVRQQ-UHFFFAOYSA-N 478.893 2.007 5 40 JEBB COc1ccc(N(CC(=O)NCCCN(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 13671824 LOPUZFXKIFVVFI-UHFFFAOYSA-N 464.544 2.175 5 40 JEBB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NCCCn3nc4n(c3=O)CCCC4)c([N+](=O)[O-])c2)C1 40135293 FQTAOVAUIUSDGK-IRXDYDNUSA-N 492.602 2.458 5 40 JEBB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224648803 PBRRLPLKRKWTGP-KRWDZBQOSA-N 476.555 2.304 5 40 JEBB NS(=O)(=O)c1ccc(CCNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 9469482 SPPLZDUAGBIXIX-UHFFFAOYSA-N 453.420 2.190 5 40 JEBB CC(C)Cc1cnc2c(c1SCC(=O)Nc1cccc([N+](=O)[O-])c1)c(=O)n(C)c(=O)n2C 15883682 SNFUZKOZDUEBQP-UHFFFAOYSA-N 457.512 2.470 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35889658 YXHHOQGOVZDCFY-ZQDYSYBYSA-N 450.426 2.474 5 40 JEBB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71980572 LTXWONIAOVEBLT-IBGZPJMESA-N 470.438 2.421 5 40 JEBB CN1CCN(c2cc3c(cc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n(C)c(=O)n3C)CC1 408535699 ZTMURKXCWOPCES-RMKNXTFCSA-N 450.499 2.189 5 40 JEBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1cccnc1 9158002 XXHCKWPISWHRPT-USAHCJTHSA-N 487.516 2.449 5 40 JEBB COC(CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1ccc(C)cc1C)C2=O)OC 9580724 IVGIWPGRWSVHLN-DEOSSOPVSA-N 482.493 2.462 5 40 JEBB CCOC(=O)C1=NN[C@@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 16682644 HCKBTZPGPIKNHH-MGPUTAFESA-N 487.266 2.265 5 40 JEBB O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccccc1[N+](=O)[O-] 9441273 WVMYFBRRBBYBMP-UHFFFAOYSA-N 459.436 2.462 5 40 JEBB CN1C(=O)N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@@H]32)C1=O 20546371 IQIGDLUTHTUYKK-HYBUGGRVSA-N 493.476 2.105 5 40 JEBB N=c1c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc2n1Cc1ccco1 101043377 LNNGLDGFKVZVNL-UHFFFAOYSA-N 469.457 2.429 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 9683611 JFBTXNCYTRZXRK-UHFFFAOYSA-N 478.527 2.393 5 40 JEBB O=C1NC(=S)N=C(O)C12[C@H](c1ccc([N+](=O)[O-])cc1)NC(=S)N[C@H]2c1ccc([N+](=O)[O-])cc1 20133271 BPGRWHROPUQIKW-KBPBESRZSA-N 486.491 2.121 5 40 JEBB COCCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3cccc(C)c3nc21 101158750 KTADDKVLWJDQEQ-UHFFFAOYSA-N 475.505 2.132 5 40 JEBB COC(=O)CN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O 108228350 KRTFVGABZQBYJY-NTUHNPAUSA-N 472.366 2.370 5 40 JEBB O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)N1CCOCC1 214642112 YLEGJFHLBIUITR-LDADJPATSA-N 456.480 2.340 5 40 JEBB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9981478 KQEFOMBJKNEBKZ-UHFFFAOYSA-N 490.900 2.339 5 40 JEBB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 408649987 ABBICUIGWFDSKJ-OAHLLOKOSA-N 455.423 2.306 5 40 JEBB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 3363204 IWTVKMWYQOGVQN-UHFFFAOYSA-N 476.492 2.422 5 40 JEBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)NCCCN2CCCC2=O)c1 9546193 IPYBWUIBQXHMAH-UHFFFAOYSA-N 476.511 2.147 5 40 JEBB O=C(O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC(=S)NC[C@H]1CCCO1 9662902 IOKDHWBZOPEODU-CYBMUJFWSA-N 495.539 2.064 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc(C)c([N+](=O)[O-])c1 11690912 PXLJTOKGKQZFGO-QQTULTPQSA-N 461.434 2.321 5 40 JEBB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 12530573 PVRCMAZRNHSNPU-RYUDHWBXSA-N 457.361 2.271 5 40 JEBB O=C(NCc1ccccc1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 9662927 LNEOYBGIBFZZGE-UHFFFAOYSA-N 488.566 2.149 5 40 JEBB Cn1nnnc1Sc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1[N+](=O)[O-] 23957284 XHNSFUOBHUEZBJ-SFHVURJKSA-N 487.517 2.212 5 40 JEBB CC(=O)Nc1ccc(OC[C@@H](O)Cn2c(=O)c(N3CCCC3)nc3ccc([N+](=O)[O-])cc32)cc1 30531389 GJZMYYOOWMELNE-SFHVURJKSA-N 467.482 2.303 5 40 JEBB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224114074 WAZFXOJXKNVJKL-FQEVSTJZSA-N 476.555 2.304 5 40 JEBB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 728886 RRZUJRQVBIAMOF-SQWSFHKJSA-N 465.487 2.325 5 40 JEBB O=C(Cc1ccc(F)cc1)NCCn1ncc2c(=O)n(Cc3ccc([N+](=O)[O-])cc3)cnc21 12072031 XTRNOJGARUBYPL-UHFFFAOYSA-N 450.430 2.048 5 40 JEBB Cc1c(N2C(=O)[C@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cccc1[N+](=O)[O-] 33912881 QJYFDCKLGAXMGP-GKAYAJSDSA-N 450.426 2.474 5 40 JEBB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222989108 RTZGBVKWFHBUMZ-HXUWFJFHSA-N 476.555 2.223 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)NC2CCCC2)CC1 8774802 ZLAKECWQYCWNAW-OAHLLOKOSA-N 467.544 2.294 5 40 JEBB Cc1cc(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)O)c([N+](=O)[O-])cc1C 9630839 HJIPTWIEQAVRGX-DJJJIMSYSA-N 499.929 2.075 5 40 JEBB CC[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260903657 PUGFNZUSIFWQSE-IRXDYDNUSA-N 463.512 2.404 5 40 JEBB Cc1ccc(NC(=O)CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9442654 AKSQKCLPYSQCRH-UHFFFAOYSA-N 468.919 2.274 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O 10329241 FDOCNVJZFBGEES-KRWDZBQOSA-N 490.538 2.217 5 40 JEBB CS(=O)(=O)c1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)c([N+](=O)[O-])c1 15036294 YKBKIBUSLIIYDH-UHFFFAOYSA-N 455.496 2.146 5 40 JEBB Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 3485166 UUYDPJFFRNVFRW-UHFFFAOYSA-N 455.876 2.407 5 40 JEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(CC2CCCCC2)CC1 12527064 REWSEUCEWRYDFG-UHFFFAOYSA-N 452.577 2.318 5 40 JEBB O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 39969246 LQGKJOMQMAUZCT-UHFFFAOYSA-N 451.361 2.265 5 40 JEBB Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 9382005 FNKUQEYRWQSTMA-UHFFFAOYSA-N 493.505 2.182 5 40 JEBB O=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9572825 UUNJQVPMFQATPD-MRXNPFEDSA-N 467.482 2.003 5 40 JEBB Cc1ccc2nc3c(cc(S(=O)(=O)c4ccccc4)c(=N)n3C[C@@H]3CCCO3)c(=O)n2c1 100707556 IQVFAJKHMJYKEP-INIZCTEOSA-N 450.520 2.449 5 40 JEBB CC(=O)c1c(C)nn([C@H](C)CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C 84008513 QYIULWIRSZTRBM-CQSZACIVSA-N 477.543 2.095 5 40 JEBB Nc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 9518060 HQWJWNDTAXJDOL-UHFFFAOYSA-N 458.431 2.383 5 40 JEBB CC1CCN(S(=O)(=O)c2ccc(N3CCN(C(=O)N4CCCC4)CC3)c([N+](=O)[O-])c2)CC1 8728501 LLXZRRKZXLEDSW-UHFFFAOYSA-N 465.576 2.353 5 40 JEBB O=C(COC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccc(F)cc1[N+](=O)[O-] 9545296 SFPUFLRTEVUYAJ-UHFFFAOYSA-N 483.449 2.456 5 40 JEBB Cc1cccc(N2CCN3c4ccc([N+](=O)[O-])cc4CC4(C(=O)N(C)C(=O)N(C)C4=O)[C@H]3C2)c1C 13540033 CNENLEOVPPNNDF-OAQYLSRUSA-N 477.521 2.500 5 40 JEBB CN1CCN(c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1 22741936 YKQQHBXMUQKULV-UHFFFAOYSA-N 484.582 2.310 5 40 JEBB O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCCC2)Nc1ccc([N+](=O)[O-])cc1 22909164 WGOOAUBYCNSQBA-UHFFFAOYSA-N 473.555 2.093 5 40 JEBB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)cc1 40399924 SOXWSLYWPAZAQP-OAHLLOKOSA-N 450.411 2.495 5 40 JEBB COc1ccc(CCn2c(=N)c(C(=O)NC[C@@H]3CCCO3)cc3c(=O)n4ccccc4nc32)cc1 101037042 FNVLHHDBLFNNAM-IBGZPJMESA-N 473.533 2.289 5 40 JEBB CSc1ccc(S(=O)(=O)NCC(=O)OCc2cn3cc(C)ccc3n2)cc1[N+](=O)[O-] 16664327 PAWVWPRPPPYMEW-UHFFFAOYSA-N 450.498 2.295 5 40 JEBB CCOC(=O)C1=NN[C@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 16682645 HCKBTZPGPIKNHH-QRWLVFNGSA-N 487.266 2.265 5 40 JEBB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(Cl)c1 408635749 IFZRKIBWYSEONI-UHFFFAOYSA-N 457.892 2.499 5 40 JEBB Cn1c(=O)c2c(SCC(=O)NC3CCCCC3)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O 9411438 ZMHGIFMDTXECNN-UHFFFAOYSA-N 484.538 2.143 5 40 JEBB COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)nc(OC)n1 9668156 HUYOKOMAZNWTPP-UHFFFAOYSA-N 489.466 2.220 5 40 JEBB CCCn1c(Cn2nc(C)c([N+](=O)[O-])c2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12507638 QEMZVEBVFNBQJI-UHFFFAOYSA-N 462.532 2.237 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C(=O)Nc3ccc(C)cc31)N1CCC[C@H]21 15999008 UKIMYBMMSAINOY-YBNJHJSASA-N 462.462 2.343 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 20801264 AWLIUSGNSRAQME-LEWJYISDSA-N 481.509 2.132 5 40 JEBB COC[C@H](C)NS(=O)(=O)c1ccc(Nc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 33012218 MQTNJPXSILGWRC-HNNXBMFYSA-N 450.517 2.488 5 40 JEBB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 102384584 NHLRZHVLKVYFEL-OYUDYFSCSA-N 478.427 2.069 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])o1 408730154 FWKAVLXHHGJFOX-JVCXIRSZSA-N 469.475 2.417 5 40 JEBB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)CC2)cc1 12525456 YBYYKWQFISVZCB-UHFFFAOYSA-N 486.510 2.013 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1ccccc1 408723175 OBPYBQYIAMDKTA-BYHQVZLYSA-N 493.497 2.435 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 36047564 PYAKHLHQUKLGAW-JAORQVBISA-N 495.513 2.421 5 40 JEBB CN1CCN(C(=O)C23C[C@@H]4C[C@@H](C2)CC(n2nc([N+](=O)[O-])nc2Br)(C4)C3)CC1 100860085 RGULVGMGLOCRSC-AGCBMJJTSA-N 453.341 2.018 5 40 JEBB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9715629 DBCBWECHVLWARE-UHFFFAOYSA-N 460.512 2.468 5 40 JEBB COc1ccc([C@H](CNC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)N2CCOCC2)cc1 12753639 KECXPJXOTWLKEK-QFIPXVFZSA-N 493.520 2.261 5 40 JEBB Cn1c(Cl)cnc1COC(=O)CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1 16538246 CYKYCLNKQUREDS-UHFFFAOYSA-N 483.890 2.209 5 40 JEBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1OC 4125268 QOQNTRAXDJSQKR-UHFFFAOYSA-N 456.499 2.411 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)S(C)(=O)=O 44903082 DGDMDXUCAGVCTF-UHFFFAOYSA-N 462.484 2.135 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](CCSC)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 105796319 SVAYYPFVOXXCKI-LONFEIEESA-N 482.518 2.282 5 40 JEBB O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc([N+](=O)[O-])ccc1F 9283935 OGHSHGJHTAGWDP-UHFFFAOYSA-N 454.754 2.207 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1 16682345 YSLDMUPZTRZVBC-FJJYYWMZSA-N 471.516 2.474 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 20801261 AWLIUSGNSRAQME-NHCUHLMSSA-N 481.509 2.132 5 40 JEBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)OC(C)C)c([N+](=O)[O-])c3)C2=O)o1 107840116 NKTPFLYBHWUPNT-NVNXTCNLSA-N 487.421 2.398 5 40 JEBB COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)CC2)c1 13563372 GXIACIMLHJHPRE-GOSISDBHSA-N 488.566 2.353 5 40 JEBB O=c1c2cc3c(=O)n(-c4nc(C5CCCCC5)n[nH]4)ccc3nc2ccn1CCN1CCOCC1 40399024 LRMMVXANSWFWSG-UHFFFAOYSA-N 475.553 2.199 5 40 JEBB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 224198554 WTCVPIPZLZIERD-UHFFFAOYSA-N 453.542 2.274 5 40 JEBB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 9127878 QEQBDJHFKPGKOI-UHFFFAOYSA-N 494.957 2.232 5 40 JEBB Cc1ccc2nc3c(cc(C(=O)NCCN4CCOCC4)c(=N)n3C3CCCCC3)c(=O)n2c1 16750285 FMITZAHMHCAYEG-UHFFFAOYSA-N 464.570 2.004 5 40 JEBB N=c1c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3ccccc3nc2n1CCN1CCOCC1 2424192 YOSRZZMASJTRCO-UHFFFAOYSA-N 492.967 2.044 5 40 JEBB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9492935 PENAIDNCAPNCPZ-NRFANRHFSA-N 458.540 2.020 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 15163168 LPOFZFHOQVUWMQ-FVECTHPASA-N 499.501 2.317 5 40 JEBB CC(C)(CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCOCC1 17854384 YFNAGCGTKRBULS-UHFFFAOYSA-N 462.528 2.236 5 40 JEBB C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@H]12 9429287 ZCMOZOPBXLRFNM-BMZLUOIXSA-N 464.478 2.398 5 40 JEBB CCCN(CC1CC1)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 12632540 BAQKAZZCCDDOMY-UHFFFAOYSA-N 494.614 2.481 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccccc1-n1ccnc1C)S(C)(=O)=O 20451625 CVBHYCDEEMQCHO-UHFFFAOYSA-N 457.512 2.480 5 40 JEBB COc1cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 35851757 QJMTVDYYNXWLHH-RXYORGTDSA-N 480.452 2.482 5 40 JEBB COc1ccccc1-n1c(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc2cc([N+](=O)[O-])ccc21 8684933 ANLMQKNKWWBVQB-CYBMUJFWSA-N 476.536 2.338 5 40 JEBB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1[N+](=O)[O-] 408659903 KHDCRRCKKACIQQ-MRXNPFEDSA-N 467.434 2.474 5 40 JEBB O=C(COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H]1CCCc2ccccc21 2660554 HLRBZKVFMDIJLG-QGZVFWFLSA-N 451.435 2.318 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 49721906 UZULCSSVBFAWMU-QLBZUPSYSA-N 462.462 2.343 5 40 JEBB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 11617254 AZHQCGNQJHEEHX-UHFFFAOYSA-N 467.500 2.139 5 40 JEBB Cn1c(N)c(C(=O)CSc2nc(-c3cccc([N+](=O)[O-])c3)cn2-c2ccccc2)c(=O)n(C)c1=O 8826095 DLXPSZUXLYNQPV-UHFFFAOYSA-N 492.517 2.402 5 40 JEBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)cc1[N+](=O)[O-] 247986855 KAWNYORZUKCAHC-YIKPNSEUSA-N 450.426 2.474 5 40 JEBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c2=O)=N1 409049291 YVWYDCHPJUUPES-JKALPCAWSA-N 495.513 2.421 5 40 JEBB O=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCCC2)Nc1cccc([N+](=O)[O-])c1 22909266 ITWRNPXYVVAFBF-UHFFFAOYSA-N 487.582 2.483 5 40 JEBB Cn1c(=O)c2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(C3CCCC3)nc2n(C)c1=O 9517445 KTSMNDSIWQRXMK-UHFFFAOYSA-N 470.511 2.324 5 40 JEBB O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1CN(c1ccc(I)cc1)CN=2 1865738 HNNPURQRNJNMLG-SXGWCWSVSA-N 492.298 2.306 5 40 JEBB Cc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccc(I)cc2)ccc1[N+](=O)[O-] 3271514 RMDPXEADDJJNKC-UHFFFAOYSA-N 497.245 2.420 5 40 JEBB O=C(Cc1ccc(F)cc1)NCCn1ncc2c(=O)n(Cc3cccc([N+](=O)[O-])c3)cnc21 12071900 PIUOOGVBYSDYDH-UHFFFAOYSA-N 450.430 2.048 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1cccc(OC)c1 2139795 ZFHSNOVOCBTEKO-SQWSFHKJSA-N 495.513 2.421 5 40 JEBB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1 21595851 PVPFCGLOVDYCFH-UHFFFAOYSA-N 457.512 2.260 5 40 JEBB CC[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223882656 GDAIXCHDYCQGOH-LIRRHRJNSA-N 483.568 2.420 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 248134604 YXHHOQGOVZDCFY-OSJYTEGDSA-N 450.426 2.474 5 40 JEBB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c(OC)c1 408671510 YHYVZAMPDDKPEN-AWEZNQCLSA-N 457.439 2.455 5 40 JEBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2CCCN21 15996696 AKOZZOGJIMQJRC-QLBZUPSYSA-N 462.462 2.343 5 40 JEBB COc1cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 16010190 QJMTVDYYNXWLHH-ODSAXCBOSA-N 480.452 2.482 5 40 JEBB COc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1OC 36329727 YPTLBORUSUHUOA-UHFFFAOYSA-N 464.544 2.185 5 40 JEBB O=C1C[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])c2c(nc(N3CCc4ccccc4C3)[nH]c2=O)N1 40390707 JKBSSRDTQQIHTH-HNNXBMFYSA-N 460.450 2.305 5 40 JEBB CCOCCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc21 101094436 BVOXZPNKUCNECJ-UHFFFAOYSA-N 475.505 2.214 5 40 JEBB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s1)CS2 3439018 YQIVMNLGKDPUMF-PXAZEXFGSA-N 468.538 2.277 5 40 JEBB O=[N+]([O-])c1ccc(N(c2nc3nonc3nc2N(c2ccc([N+](=O)[O-])cc2)[N+](=O)[O-])[N+](=O)[O-])cc1 8440963 ZLTZSLYKZFIHGY-UHFFFAOYSA-N 484.301 2.489 5 40 JEBB CC(=O)N[C@@H](Cc1cccc(C)c1)C(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 8690223 YVMUATRPXIPMKZ-QFIPXVFZSA-N 452.511 2.371 5 40 JEBB COC(=O)C1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)CC1 10541919 NUMXJKZBNCUIOZ-UHFFFAOYSA-N 461.496 2.202 5 40 JEBB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1cccc([N+](=O)[O-])c1 22250193 OQNRBNWSBFVZJS-UHFFFAOYSA-N 455.876 2.287 5 40 JEBB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223614862 HAACBUAREJLQMH-QGZVFWFLSA-N 476.555 2.223 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 248149588 VFSOXSCPZBQZCA-LEWJJULVSA-N 466.425 2.174 5 40 JEBB COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 408652134 FJPUHBKQVFXMFF-OAHLLOKOSA-N 455.423 2.225 5 40 JEBB Cc1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 408660311 NPZCFEQBVSWQOZ-UVPINQTDSA-N 455.467 2.217 5 40 JEBB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c(OC)c1 408669160 MXVKLVOPQBKSAW-AWEZNQCLSA-N 457.439 2.455 5 40 JEBB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCc1ccc([N+](=O)[O-])cc1 9671291 KUHOVXHNKKWPMY-IBGZPJMESA-N 450.469 2.412 5 40 JEBB Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1[N+](=O)[O-] 408660308 NPZCFEQBVSWQOZ-BLMTYFJBSA-N 455.467 2.217 5 40 JEBB COc1ccc(N2C(=O)N=C(O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCN(C)C[C@@H]43)C2=O)cc1 14943690 POOGYTSAJYJEBF-XXBNENTESA-N 465.466 2.390 5 40 JEBB O=C(CS(=O)(=O)c1ccccc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 15391523 QNKDCMXGHQKJJW-UHFFFAOYSA-N 467.506 2.297 5 40 JEBB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222426813 XIIMDDLCGPJPMT-QGZVFWFLSA-N 476.555 2.141 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1cccc(CN2CCOCC2)c1)S(C)(=O)=O 260895028 HNLDJUBXVQWHEM-GOSISDBHSA-N 490.582 2.206 5 40 JEBB Cc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c(Cl)c1 9634621 SCCGURQXTZISRQ-UHFFFAOYSA-N 484.918 2.083 5 40 JEBB Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 21202914 OHJOVOUHTRNUHW-UHFFFAOYSA-N 455.496 2.236 5 40 JEBB COc1ccc(Cn2c(=N)c(C(=O)NC[C@H]3CCCO3)cc3c(=O)n4ccccc4nc32)cc1 100558717 REVGSMFILFTBCB-GOSISDBHSA-N 459.506 2.094 5 40 JEBB biogenic Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16033712 YXHHOQGOVZDCFY-FAODYONGSA-N 450.426 2.474 5 40 JEBB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN(C)Cc3ccccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 26346673 HWNYHVDSSNPDPO-IAGOWNOFSA-N 476.555 2.463 5 40 JEBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ncccn2)n1C 409132071 OMUBJEJSINXOAT-INIZCTEOSA-N 470.515 2.371 5 40 JEBB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 12557712 VZERCTGKJUIRSB-WBVHZDCISA-N 467.544 2.166 5 40 JEBB COc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)CC2)cc1F 12634896 SIGZUENIONANEN-UHFFFAOYSA-N 494.545 2.086 5 40 JEBB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(OC)ccc3[N+](=O)[O-])CC2=O)cc1 408651725 DQSYIWQLOGHOCH-HNNXBMFYSA-N 485.449 2.315 5 40 JEBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2CCCN21 9358682 CYAYEQKWETZYTR-KCOOYEKVSA-N 462.462 2.343 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@H]1c1ccc([N+](=O)[O-])cc1 20801272 AWLIUSGNSRAQME-SFTDATJTSA-N 481.509 2.132 5 40 JEBB O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1N[C@@H]1CCS(=O)(=O)C1 9442328 VSTJSQXXWKXHHR-CQSZACIVSA-N 483.524 2.156 5 40 JEBB CN1CCN(S(=O)(=O)c2ccc(N[C@H](CN3CCOCC3)c3ccccc3)c([N+](=O)[O-])c2)CC1 12553895 RKPQCFVOZPQIIC-JOCHJYFZSA-N 489.598 2.016 5 40 JEBB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)c(OC)c1 408669747 OFBDAGRDUSBRCH-ZDUSSCGKSA-N 473.438 2.155 5 40 JEBB Cc1c(NC(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 9128092 UVRDLWJFVFMGHD-UHFFFAOYSA-N 495.492 2.025 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 9508590 NJTQLAKRQKBGTD-UHFFFAOYSA-N 465.484 2.414 5 40 JEBB O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1N1CCOCC1 5053106 QPGLEWVICRIDCQ-UHFFFAOYSA-N 478.483 2.009 5 40 JEBB CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(C)cc2Cl)cc1[N+](=O)[O-] 9635513 DBZMFKNLUZTACJ-UHFFFAOYSA-N 470.891 2.059 5 40 JEBB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222511731 QJQIVCPOHGTJMF-CQSZACIVSA-N 482.946 2.178 5 40 JEBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12982775 SECJLEYGLSMHKE-UHFFFAOYSA-N 458.540 2.337 5 40 JEBB CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 3172760 FRESPUHCKNXMDA-HOTGVXAUSA-N 473.301 2.301 5 40 JEBB Cc1csc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)n1 9662928 LURHOHOPLMZPIP-UHFFFAOYSA-N 495.583 2.236 5 40 JEBB CCOC(=O)N1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 20451982 UMPMURRWXMDGDP-UHFFFAOYSA-N 476.511 2.091 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 20675057 YCEKYLLJPSHYAB-WOJBJXKFSA-N 469.473 2.262 5 40 JEBB O=C(CN1C(=O)N/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)Nc1ccccc1F 409209625 CWTOCWDDHDBZIQ-PDGQHHTCSA-N 469.429 2.102 5 40 JEBB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 12557711 VZERCTGKJUIRSB-NVXWUHKLSA-N 467.544 2.166 5 40 JEBB O=[N+]([O-])c1cnn(CN2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)c1 24760757 JFZMCGQMUQGWCX-UHFFFAOYSA-N 453.830 2.428 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1 101590182 IPINFAOGAXNGBR-XRXFAXGQSA-N 474.429 2.117 5 40 JEBB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225689204 ORIGJHDJPSMCOU-SFHVURJKSA-N 490.582 2.345 5 40 JEBB COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2 40400108 MACQCCOFLKJQBO-NSHDSACASA-N 450.411 2.495 5 40 JEBB CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 8646832 JHCBGYUSACCAOJ-QHCPKHFHSA-N 467.482 2.483 5 40 JEBB C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)Nc1ccccc1[N+](=O)[O-] 12878064 UUTUJTKEDZIAQD-UONOGXRCSA-N 455.423 2.289 5 40 JEBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@H]2CCCN21 104046882 DGSJIPGDKZIUTJ-KCOOYEKVSA-N 462.462 2.343 5 40 JEBB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1C 409160082 SLMKOKFPBWWWRY-UHFFFAOYSA-N 456.484 2.398 5 40 JEBB Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(CCCN3CCOCC3)c2=N)cc1 2427416 DGNYYJQNUMWKDP-UHFFFAOYSA-N 486.576 2.089 5 40 JEBB O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 14095628 CYKNXXWQWWQWDU-UHFFFAOYSA-N 454.892 2.320 5 40 JEBB COC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408614687 GKVPGWUOPZTZPV-HNNXBMFYSA-N 451.501 2.258 5 40 JEBB CC(=O)Oc1ccc(/C=c2/sc3nc(-c4cccc([N+](=O)[O-])c4)nn3c2=O)c(OC(C)=O)c1 8767073 RIIRCCSJSLCRCA-GIJQJNRQSA-N 466.431 2.125 5 40 JEBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 10256363 SGYBJMCZCZASFY-UHFFFAOYSA-N 462.445 2.149 5 40 JEBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1[N+](=O)[O-] 139115019 JYGNTQWFQPYBAC-ZDUSSCGKSA-N 474.857 2.232 5 40 JEBB CSCC[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O)N1Cc2ccccc2C1=O 604404406 GMLDTKPUZQVSRZ-SYNHAJSKSA-N 482.562 2.480 5 40 JEBB biogenic COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 18933893 IZECBAAEHRDTAP-MRXNPFEDSA-N 488.566 2.426 5 40 JEBB O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 35200173 CAAXWQZUCJQWRW-UHFFFAOYSA-N 471.470 2.067 5 40 JEBB Cc1c(CC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)c(=O)oc2cc(O)ccc12 604405304 QORAEBMFPGAKDD-KGLIPLIRSA-N 451.435 2.065 5 40 JEBB biogenic COc1ccc(CCN(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1OC 16046307 YRPIREGYYRAIIS-UHFFFAOYSA-N 465.528 2.312 5 40 JEBB Cn1c(=O)c2c(n(C)c1=O)n1c(-c3cccc([N+](=O)[O-])c3)nnc1n2CCCc1ccccc1 32815336 DMKBPAYDSBTYQT-UHFFFAOYSA-N 459.466 2.289 5 40 JEBB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 3214792 NEIXPJYGOYGSCJ-UHFFFAOYSA-N 455.876 2.287 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1ccc([N+](=O)[O-])cc1 20801221 OIWZSRXNVWVRPH-UXHICEINSA-N 469.473 2.262 5 40 JEBB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225398962 QXDRQBCTZNDMMN-OAHLLOKOSA-N 496.973 2.486 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 8687880 RUDIQLAFCLKQJS-UHFFFAOYSA-N 478.527 2.420 5 40 JEBB aggregator CCOC(=O)C1=C(COC(=O)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)C)NC(=O)N[C@H]1C 9493673 CKRJFLDZLIIKKW-GTNSWQLSSA-N 496.904 2.064 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 33657550 VQZWMAZCMCEOKZ-YQYRJILISA-N 466.425 2.174 5 40 JEBB CS(=O)(=O)[C@](Br)(I)[C@@H](O)c1ccc([N+](=O)[O-])cc1 96520970 DTWXMGUNCLVQCE-DTWKUNHWSA-N 450.048 2.157 5 40 JEBB O=[N+]([O-])c1cccc(S(=O)(=O)NS(=O)(=O)c2nnc(-c3ccccc3Cl)s2)c1 16450661 HYQLYVYCYWMGCQ-UHFFFAOYSA-N 460.902 2.434 5 40 JEBB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCCc4cc([N+](=O)[O-])ccc43)C2=O)cc1OC 16807289 JWBLANOSTSEHQB-HSZRJFAPSA-N 468.466 2.358 5 40 JEBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1cccnc1 101135029 XXHCKWPISWHRPT-FEWXOWJYSA-N 487.516 2.449 5 40 JEBB CCN1CCN(c2ccc(NC(=O)COC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cc2)CC1 10321040 WRCXKRDOKSCJRM-UHFFFAOYSA-N 470.482 2.303 5 40 JEBB COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCCN21 35840386 CUMJHSMWEYUXTD-YBNJHJSASA-N 478.461 2.043 5 40 JEBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)NCC(F)(F)F 8773159 MSCQRFKUHYXFCC-GFCCVEGCSA-N 471.841 2.321 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1ccc([N+](=O)[O-])cc1 20801225 OIWZSRXNVWVRPH-PMACEKPBSA-N 469.473 2.262 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCCC(=O)N(C)c2ccccc2)CC1 32930509 BDQVBOJUFHLEBN-UHFFFAOYSA-N 488.566 2.473 5 40 JEBB COCCn1c(=N)c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c(=O)n3cccc(C)c3nc21 101135309 NYWOKCBDPWXXKF-UHFFFAOYSA-N 491.548 2.073 5 40 JEBB CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O)c1ccc([N+](=O)[O-])cc1 11073856 BJLIWWSRHXACKV-QFIPXVFZSA-N 454.439 2.186 5 40 JEBB CCCCc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 19831179 QVBKSEMIIKEWNZ-UHFFFAOYSA-N 481.553 2.450 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3nnc(C)o3)CC2)c([N+](=O)[O-])c1 9635602 ZAKKFVAAKOOALV-UHFFFAOYSA-N 466.520 2.172 5 40 JEBB CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1cc([N+](=O)[O-])ccc1Cl 14069137 GCNBRRWKIKTWJH-UHFFFAOYSA-N 482.946 2.340 5 40 JEBB COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 40400116 UISHSDBTRIRZNI-ZDUSSCGKSA-N 450.411 2.495 5 40 JEBB CC[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225276346 HZVQGPHEFCUPHT-HZPDHXFCSA-N 479.511 2.104 5 40 JEBB CCOC(=O)c1cnc(SCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc1N 9127264 XREXRJONNNCDKB-UHFFFAOYSA-N 469.863 2.071 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=CC=NN1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 253487642 NDUQKTWFNDNHNA-XFWGSAIBSA-N 491.416 2.109 5 40 JEBB NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 8831327 DKKWPDWMYINANQ-UHFFFAOYSA-N 463.541 2.359 5 40 JEBB Cc1ccc(CCCNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])c(C)c1 13006585 BLPROAGTBQAEJN-UHFFFAOYSA-N 455.558 2.373 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 17747947 DTYNHRLKOWVXPW-JKLQHZFJSA-N 488.456 2.425 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=CC=NN3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 34254223 NDUQKTWFNDNHNA-QLIIJSOBSA-N 491.416 2.109 5 40 JEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=CC=NN1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 18207845 UBGFRGFUWFQAGY-LWYYNNOASA-N 475.417 2.408 5 40 JEBB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225055519 ZKQSVTQNPJHZRH-SFHVURJKSA-N 490.582 2.347 5 40 JEBB CCN(C(=O)COC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 9612422 NTHUNBPDHLUPDP-QGZVFWFLSA-N 467.544 2.024 5 40 JEBB CCn1c(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)nnc1-c1ccncc1 16162752 KWTKUYQLUBDRAC-UHFFFAOYSA-N 468.499 2.189 5 40 JEBB CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 12515690 FSIHYNXPHUZOTD-UHFFFAOYSA-N 452.464 2.073 5 40 JEBB COC(=O)c1sc(N2CCOCC2)nc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 40146248 ZDHNORFQRJCBSK-UHFFFAOYSA-N 491.482 2.001 5 40 JEBB CNc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(OC(F)F)c(OC)c2)cc1[N+](=O)[O-] 23014811 REIOIVCKOGUGEX-UHFFFAOYSA-N 475.426 2.268 5 40 JEBB Cn1c(=O)c2ccccc2n2c(=S)n(CN3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)nc12 32932608 GHIVUUNXYPMTQY-UHFFFAOYSA-N 485.551 2.102 5 40 JEBB Cn1cnnc1Sc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 9402847 YBIPFYFJOARPKE-UHFFFAOYSA-N 453.436 2.328 5 40 JEBB C[C@H](OC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9511207 LRXXSQFMWIBHJA-YKXBDCQTSA-N 489.506 2.199 5 40 JEBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 16000152 KAWNYORZUKCAHC-FAODYONGSA-N 450.426 2.474 5 40 JEBB Cc1nc(N2CCc3ccccc3C2)ncc1C(=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 257315468 VBMYNHBIHOHIIE-UHFFFAOYSA-N 453.480 2.375 5 40 JEBB COc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1S(=O)(=O)N1CCOCC1 3226288 OBGVHBVXSJNCQF-UHFFFAOYSA-N 478.508 2.486 5 40 JEBB Cc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c([N+](=O)[O-])cc1C 9562287 LPGSZEWZAYFATR-UHFFFAOYSA-N 477.495 2.497 5 40 JEBB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 13946258 IMGYQEDPNZWOKD-UHFFFAOYSA-N 470.482 2.307 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 16001944 PENSRQGJEMXDOL-DOGKRZLPSA-N 462.462 2.343 5 40 JEBB C[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 223880166 FLSZJTZYHYCTKG-ZIAGYGMSSA-N 469.541 2.030 5 40 JEBB O=C(O)CCCCCn1c(=O)c2ccc3c(=O)n(CCCCCC(=O)O)c(=O)c4ccc(c1=O)c2c34 8426939 LAIOEXMMHIFBFK-UHFFFAOYSA-N 494.500 2.356 5 40 JEBB COc1ccc(S(=O)(=O)NCCC(=O)OCc2cc(=O)oc3cc(C)ccc23)cc1[N+](=O)[O-] 9128094 GDMNVBQAXAWFRU-UHFFFAOYSA-N 476.463 2.430 5 40 JEBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] 408662641 XFMPHIZJOZYBMA-AWEZNQCLSA-N 474.857 2.232 5 40 JEBB COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 9765888 JSWKFFMXPYCRIK-UHFFFAOYSA-N 463.512 2.078 5 40 JEBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 224379248 QIGROMZLSPUNRY-UHFFFAOYSA-N 469.541 2.127 5 40 JEBB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408673308 ZTXZVALRUPYBJU-HNNXBMFYSA-N 454.439 2.396 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(=O)NCC(C)C)S(C)(=O)=O 409407873 AMVKXMPQBOQTEV-UHFFFAOYSA-N 478.527 2.394 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@H]2COc3ccccc3O2)CC1 8724886 IKOINTJKZJJDKC-SFHVURJKSA-N 475.523 2.260 5 40 JEBB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1[N+](=O)[O-] 12973340 PXYMDLPDGVTNFP-UHFFFAOYSA-N 461.496 2.211 5 40 JEBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O[C@H](C)C(=O)OC)c([N+](=O)[O-])c3)C2=O)o1 110220579 OMHWRBABFYUYFZ-ZEVOCZHWSA-N 473.394 2.008 5 40 JEBB COC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1 409141795 IYWQGMTXGPYUMS-UHFFFAOYSA-N 484.494 2.171 5 40 JEBB Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-] 12527327 XHTHXLPPZOYTRV-UHFFFAOYSA-N 469.317 2.086 5 40 JEBB O=[N+]([O-])c1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCN(CCO)CC2)cc1 22852304 XZNDYMMMXJRRQZ-KRWDZBQOSA-N 470.511 2.364 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 2298190 LMIHGGJSPGROPX-LYFUXTGPSA-N 493.497 2.435 5 40 JEBB O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl 15048018 OJLZKHBBJJUKTM-LJQANCHMSA-N 460.874 2.313 5 40 JEBB COc1cc2c(cc1OC)C(C[C@@H](c1ccccc1[N+](=O)[O-])c1c(O)[nH]c(=O)[nH]c1=O)=NCC2 9012284 FBNPRSCBVQHWAQ-HNNXBMFYSA-N 466.450 2.262 5 40 JEBB CC(C)CN(C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)C1CC1 12523569 MOFLIHKNEPXFQZ-UHFFFAOYSA-N 494.614 2.479 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)c1 138623988 JQOXPKYBCAYZFU-CYBMUJFWSA-N 473.438 2.155 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 20801312 ZRAMEGMSDFBKQO-LEWJYISDSA-N 481.509 2.132 5 40 JEBB COc1ccc(C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N2CCN(C)CC2)cc1OC 33409270 NNIAPCPVDOUZBE-XMHGGMMESA-N 454.483 2.157 5 40 JEBB COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 40400112 FNNFJYRLHNBPRT-ZDUSSCGKSA-N 450.411 2.495 5 40 JEBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@@H]3CCCN32)cc1 138038046 YXFPVVIKZVIGCR-ZXNZYJFHSA-N 465.462 2.447 5 40 JEBB CCOC(=O)C1=C(Cn2ncc([N+](=O)[O-])c2OCC)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 8782452 YHXAKNHRULSISS-IBGZPJMESA-N 489.485 2.216 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](CCSC)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16009617 SVAYYPFVOXXCKI-HZNUMKHLSA-N 482.518 2.282 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408672703 ZNKXRBIGNIGFAF-FQPNBZCCSA-N 473.482 2.141 5 40 JEBB Cn1c(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)nnc1[C@H]1COc2ccccc2O1 9119996 PBOUBROGFXCFTR-MRXNPFEDSA-N 455.452 2.285 5 40 JEBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9469933 SCYQIEOBANOTSJ-UHFFFAOYSA-N 491.522 2.213 5 40 JEBB COc1ccc(CCNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1OC 10433949 YCTPXSVTVMEPKZ-UHFFFAOYSA-N 451.501 2.045 5 40 JEBB Cn1c(=O)c2c(SCC(=O)Nc3ccccc3F)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O 9411408 QWJKXJVGQCCULL-UHFFFAOYSA-N 496.480 2.472 5 40 JEBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCCN21 35840235 JQLILFXQTBDGDW-OKFYXZINSA-N 462.462 2.343 5 40 JEBB COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1OC 103562294 NVZSQWMQUAEVAT-QYRPDUKASA-N 476.445 2.209 5 40 JEBB COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(C[C@H]3CCCO3)c2=N)cc1 101037545 DGPGMTUZDMCBRQ-GOSISDBHSA-N 459.506 2.246 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OC)c3)c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])o1 408730474 GPUPXLNILVAZCN-NXIIHZOPSA-N 485.474 2.123 5 40 JEBB COc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2=O)cc1OC 9829813 VXXXFFXSVUJHAK-MRXNPFEDSA-N 469.498 2.249 5 40 JEBB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 13000689 KYZLNJFHVOGGFL-UHFFFAOYSA-N 463.560 2.140 5 40 JEBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(Cc4ccccn4)c(=O)c3cc2c1=O 40399117 DNPICTLEZGACNR-UHFFFAOYSA-N 456.462 2.352 5 40 JEBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)N1CCCCC1 106755458 GPEALKSSHVJXDA-AQTBWJFISA-N 460.512 2.480 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 20801292 RVSQSXOHBCRVNT-WOJBJXKFSA-N 469.473 2.262 5 40 JEBB CCOC(=O)c1cc(-c2nc(-c3ccc(NC(=O)Cn4cc([N+](=O)[O-])cn4)cc3)no2)n(C)n1 12410707 ROPFRDRGQJOBPB-UHFFFAOYSA-N 466.414 2.057 5 40 JEBB O=C(Nc1ccccc1-n1ncc2c(=O)[nH]cnc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 32832923 CHXOZRHMRXFYAP-UHFFFAOYSA-N 461.438 2.106 5 40 JEBB COc1ccc(Cn2c(=N)c(C(=O)NC[C@@H]3CCCO3)cc3c(=O)n4cccc(C)c4nc32)cc1 101269204 GZFFVBHJXRIADT-IBGZPJMESA-N 473.533 2.403 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3N=CC=C[C@@H]3[C@@H]2C1=O 253487641 NDUQKTWFNDNHNA-TTYHFUOFSA-N 491.416 2.109 5 40 JEBB CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 9381006 VQGMHSHUHVDSJC-GOSISDBHSA-N 452.514 2.467 5 40 JEBB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 9980841 ZOBKMAJXRJGAOU-LBPRGKRZSA-N 455.876 2.487 5 40 JEBB COc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1[N+](=O)[O-] 9439914 IVBUAHJMEFGADQ-UHFFFAOYSA-N 467.481 2.476 5 40 JEBB COc1ccc(NC(=O)COc2c(C)cc(C)cc2[N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 32722806 HHWAZMFPHRVRKA-UHFFFAOYSA-N 479.511 2.259 5 40 JEBB CCOC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2cc([N+](=O)[O-])ccc2O)[C@@H]1C(=O)OCC 90444890 UJBMHTQZNUGEQA-DYEKYZERSA-N 454.482 2.399 5 40 JEBB CN(C)C(=O)CN1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 34894779 UXSOOKFQWGCWDG-UHFFFAOYSA-N 471.480 2.062 5 40 JEBB CC(=O)N[C@@H](Cc1ccc(C)cc1)C(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 8686055 CXHCQJOXLYEPNM-QFIPXVFZSA-N 452.511 2.371 5 40 JEBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@@H]2CCCN21 9286862 AKOZZOGJIMQJRC-TYZOXTDXSA-N 462.462 2.343 5 40 JEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCc1ccc(Cn2cccn2)cc1 12523059 OIFSINGPTDSMJO-UHFFFAOYSA-N 457.512 2.473 5 40 JEBB COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1OC 103558954 AHWPIDXIVWTZQJ-QYRPDUKASA-N 476.445 2.209 5 40 JEBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCC[C@@H](N4CCNC4=O)C3)c([N+](=O)[O-])c2)C1 195529598 HUSPHSLBVYVQQC-JKSUJKDBSA-N 451.549 2.009 5 40 JEBB C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 505405255 TVFVDHVRFIGLQO-INIZCTEOSA-N 454.531 2.200 5 40 JEBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2C=CC=NN21 18142357 ZVFROKXNWICPMR-CADBVGFASA-N 461.390 2.100 5 40 JEBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc([N+](=O)[O-])c1O 409252930 YGKQFIWUJZGMPU-RIYZIHGNSA-N 456.411 2.239 5 40 JEBB O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 2134463 MSSDGMUVLNTWOL-KBPBESRZSA-N 484.512 2.071 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccccc1 8400268 JFHMKKLQAZOWCP-WPNIOXTASA-N 465.487 2.412 5 40 JEBB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223532152 RIWVBJAATYYWAZ-KRWDZBQOSA-N 476.555 2.223 5 40 JEBB COc1ccc(-c2n[nH]c(SCC(=O)Nc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)n2)cc1 408541956 GCHQZWNUFPSWRP-UHFFFAOYSA-N 469.483 2.310 5 40 JEBB CN(C)C(=O)Cn1c(=O)/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s/c1=C\C(=O)C(C)(C)C 3281240 MQWYEMRYNFCWTM-TYGDXWFBSA-N 483.546 2.391 5 40 JEBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCN1CCOCC1 16032731 GSTDEDRWMOUOQO-RCZVLFRGSA-N 489.532 2.093 5 40 JEBB biogenic COCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccc(OC)cc2)c1=N 101038606 NLUSRVPYYSTAHY-UHFFFAOYSA-N 461.522 2.146 5 40 JEBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)N1C[C@H](C)O[C@@H](C)C1 21101481 OMRUMKWRASMLSI-DCGLDWPTSA-N 487.962 2.279 5 40 JEBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccc(F)cc4)C[C@H]32)C1=O 9015883 CQHJLPBXJUCXKJ-IBGZPJMESA-N 467.457 2.022 5 40 JEBB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1 9906176 XBQFSFUERZHRSN-UHFFFAOYSA-N 470.482 2.458 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 20801296 RVSQSXOHBCRVNT-VQTJNVASSA-N 469.473 2.262 5 40 JEBB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s1)CS2 3439015 YQIVMNLGKDPUMF-YVEFUNNKSA-N 468.538 2.277 5 40 JEBB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222472957 LHQXAVTVRPFLNX-QGZVFWFLSA-N 476.555 2.141 5 40 JEBB CN(C)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(Cl)s2)cc1[N+](=O)[O-] 8826388 DUHXYXIXVYWUBA-UHFFFAOYSA-N 461.905 2.080 5 40 JEBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4F)C[C@H]32)C1=O 9090135 QJZVWEXNMUOJMY-IBGZPJMESA-N 467.457 2.022 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 101807841 GPOWBDWNQIAOEA-KCESLBEFSA-N 450.451 2.184 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)CC1=O 408667694 JNIWFLFZEAHKNF-OAHLLOKOSA-N 455.423 2.341 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1ccccc1 2697405 UHQWTQXDPCQBGP-JKALPCAWSA-N 465.487 2.412 5 40 JEBB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 89773123 PVRCMAZRNHSNPU-TXEJJXNPSA-N 457.361 2.271 5 40 JEBB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 9319117 JWEZFCMKECGVBU-SUWCGCSTSA-N 452.492 2.273 5 40 JEBB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 408649982 ABBICUIGWFDSKJ-HNNXBMFYSA-N 455.423 2.306 5 40 JEBB O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N1c1ccc(Cl)cc1 9123271 SWBRQCZOTHIJNB-UTKZUKDTSA-N 456.842 2.279 5 40 JEBB C[C@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 223884494 NCGJGLPBCPVLFX-HNNXBMFYSA-N 483.568 2.422 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=N[C@H]1c1ccc([N+](=O)[O-])o1 408730158 FWKAVLXHHGJFOX-QMDZLVRISA-N 469.475 2.417 5 40 JEBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 20462258 KAWNYORZUKCAHC-QYUDBREXSA-N 450.426 2.474 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1cccc(F)c1 31937342 ONCLTQUTFYBDHY-MEFGMAGPSA-N 464.453 2.353 5 40 JEBB CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4cccc([N+](=O)[O-])c4)sc3nc2=O)cc1 1853655 LZXACQQJXYTRDG-UYRXBGFRSA-N 450.476 2.347 5 40 JEBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2[C@@H](C)O1 102775100 KUOCMCREKMYJIL-WTKDAVDTSA-N 450.451 2.403 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)CC1=O 408669144 MWEQXIHZGVEBBL-CQSZACIVSA-N 470.438 2.097 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc([N+](=O)[O-])o3)c2=O)=N[C@H]1c1ccc2c(c1)OCO2 409335423 WUPIWBFXBWFURM-HVRVZBDQSA-N 483.458 2.137 5 40 JEBB COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H](C(=O)O)N1CCN(c2ccccc2OC)CC1 16778874 YDEVGSYYOCMRQP-GOSISDBHSA-N 458.471 2.216 5 40 JEBB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc([N+](=O)[O-])o4)c(=O)n32)cc1OCC 408942398 XRDBZUNYHJMEAH-ZMUHTPIZSA-N 499.501 2.317 5 40 JEBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCN(C(=O)N4CCCC4)CC3)c([N+](=O)[O-])c2)C1 8729400 URZFMLZVWLWVPS-QGZVFWFLSA-N 465.576 2.353 5 40 JEBB C[C@@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCCO2 9631975 OKQUYTWGSPRVMR-CQSZACIVSA-N 457.439 2.387 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 1315935 YXHHOQGOVZDCFY-QYUDBREXSA-N 450.426 2.474 5 40 JEBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)C1 1335030 NBVYMHQHDCYCRK-QGZVFWFLSA-N 459.466 2.491 5 40 JEBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@@H]2[C@H](C)O1 9236224 ACOOERAXNZDZTQ-ZCRMCLKNSA-N 478.505 2.441 5 40 JEBB Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 13001683 UTNDEKRYZACTDO-UHFFFAOYSA-N 453.542 2.297 5 40 JEBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccccc1F 35078163 CWBFZOJMAFMIGV-UHFFFAOYSA-N 473.530 2.407 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35843277 VFSOXSCPZBQZCA-JYISGYRJSA-N 466.425 2.174 5 40 JEBB C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 8692730 GVQZQAJHHQYDAC-QGZVFWFLSA-N 477.539 2.132 5 40 JEBB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 12995021 FKFFHMZOPADDST-UHFFFAOYSA-N 463.560 2.140 5 40 JEBB CN(C)n1c(=O)c2ccc3c4ccc5c(=O)n(N(C)C)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 33569904 KOOYMNUYQSUXSH-UHFFFAOYSA-N 476.492 2.358 5 40 JEBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O[C@@H](C)C(=O)OC)c([N+](=O)[O-])c3)C2=O)o1 110220574 OMHWRBABFYUYFZ-KSSSLANASA-N 473.394 2.008 5 40 JEBB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])N1CCC(c2ccccc2)=N1 8945721 KGFXKWSQJWMMFD-UHFFFAOYSA-N 458.496 2.395 5 40 JEBB CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)[nH]c1=O 14624416 VWWFPNNFNNZISP-UHFFFAOYSA-N 471.470 2.380 5 40 JEBB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(C(=O)O)cc([N+](=O)[O-])c3)cc2)n1 20146238 XXXUZZAXDYNMDX-UHFFFAOYSA-N 457.424 2.445 5 40 JEBB COC(=O)c1sc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)nc1C 22575577 RWQCFUVDWOOUFR-UHFFFAOYSA-N 465.513 2.110 5 40 JEBB CS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 10252858 FNZMFAVCGZBBPZ-UHFFFAOYSA-N 460.537 2.499 5 40 JEBB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)cc2)CC1 11853071 UNWXBASLPURNHB-UHFFFAOYSA-N 492.510 2.319 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16010285 GPOWBDWNQIAOEA-XWQURZDVSA-N 450.451 2.184 5 40 JEBB Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)C2)n1 40149374 JEGQLBOVGQEARR-KRWDZBQOSA-N 489.554 2.174 5 40 JEBB O=C(Nc1nncs1)[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 40151415 BSAFUPWABGDCAN-CQSZACIVSA-N 480.572 2.476 5 40 JEBB COc1cc(CCN2C(=O)[C@H](C(N)=O)[C@H]3C[C@@]2(C)Oc2ccccc23)c([N+](=O)[O-])cc1OC 524733789 PHTLVFVNEIHXLK-RWAHWCJQSA-N 455.467 2.381 5 40 JEBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1OC 9312240 NVZSQWMQUAEVAT-OTNPHJDUSA-N 476.445 2.209 5 40 JEBB COc1ccc(OC)c2c1CN(c1ccc(S(=O)(=O)N3CCCC3)cc1[N+](=O)[O-])C[C@@H]2O 21674260 BLVFSOKBGZVBBA-SFHVURJKSA-N 463.512 2.450 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 101590040 DTYNHRLKOWVXPW-UVUJQTEASA-N 488.456 2.425 5 40 JEBB C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@@H]2[C@@H](C)O1 102774893 ACOOERAXNZDZTQ-PMATZYIGSA-N 478.505 2.441 5 40 JEBB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222968058 QATIQBWGQSOEMR-INIZCTEOSA-N 494.545 2.362 5 40 JEBB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408671765 UPZYHIQQASVNDR-OAHLLOKOSA-N 455.423 2.225 5 40 JEBB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 13022490 MKDLHNURXDMUPP-UHFFFAOYSA-N 460.393 2.346 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)S(C)(=O)=O 10329249 FDOCNVJZFBGEES-QGZVFWFLSA-N 490.538 2.217 5 40 JEBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 40399229 CQUREPPTSZATFX-CYBMUJFWSA-N 450.411 2.495 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2cncn2-c2ccccc2)CC1 12551439 UEPKUBPIXJATGU-UHFFFAOYSA-N 455.496 2.236 5 40 JEBB COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1OC 57991785 ASVQAMOFWFVBHQ-UHFFFAOYSA-N 464.519 2.429 5 40 JEBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccc5c(c4)OCO5)c(=N)n(C[C@H]4CCCO4)c3nc12 101152220 KTGHMVUPUNAGGU-QGZVFWFLSA-N 487.516 2.275 5 40 JEBB CC(C)N(CCNS(=O)(=O)c1ccc(N(C)CC(=O)NC(C)(C)C)c([N+](=O)[O-])c1)C(C)C 19309423 WRCFHGQBQSWDHQ-UHFFFAOYSA-N 471.624 2.343 5 40 JEBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCN1CCOCC1 27074745 GSTDEDRWMOUOQO-RDGATRHJSA-N 489.532 2.093 5 40 JEBB biogenic COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1OC 30535520 HJYCAHWUHBGUJN-UHFFFAOYSA-N 486.525 2.085 5 40 JEBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1C 13004259 SYCOBVZJGYWMSO-UHFFFAOYSA-N 453.542 2.343 5 40 JEBB CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286274 KBQPSGKFNMTNMP-BEFAXECRSA-N 460.487 2.041 5 40 JEBB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1 138729215 YCIVPSLPHOPOTP-CYBMUJFWSA-N 474.857 2.232 5 40 JEBB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223224063 SFAFVYBTNDHMRJ-IBGZPJMESA-N 494.545 2.362 5 40 JEBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CCS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 23754592 YDMNVLXQDVSCQK-UHFFFAOYSA-N 473.960 2.028 5 40 JEBB CCCNC(=O)c1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 409411698 KCSPXOYBNBDCAG-UHFFFAOYSA-N 464.500 2.148 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccccc1 2139822 JFHMKKLQAZOWCP-GTVARFKMSA-N 465.487 2.412 5 40 JEBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ncccn2)n1C 409132073 OMUBJEJSINXOAT-MRXNPFEDSA-N 470.515 2.371 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 1828668 AMVUVURXYZECEP-LYFUXTGPSA-N 493.497 2.435 5 40 JEBB CC(=O)Nc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 9244260 JUIBZBVQNXWBLE-UHFFFAOYSA-N 473.449 2.209 5 40 JEBB O=C(NCCn1ncc2c(=O)n(Cc3ccc(Br)cc3)cnc21)c1ccc([N+](=O)[O-])o1 12071362 QQBBGAPRTZCVPL-UHFFFAOYSA-N 487.270 2.335 5 40 JEBB C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(=O)N1CCNC1=O 27074643 MGIGEAFAIIOVPR-LLVKDONJSA-N 458.393 2.314 5 40 JEBB COC(=O)c1cc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc([N+](=O)[O-])c1 8881218 KDDSGKSHHANSGS-UHFFFAOYSA-N 463.830 2.289 5 40 JEBB Cc1nn(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c(C)c1[N+](=O)[O-] 22310836 VTMDVLNNPHWFKB-UHFFFAOYSA-N 458.338 2.135 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 89644405 BMNRUVAWJWKUOR-UHFFFAOYSA-N 454.455 2.126 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccc(Cl)cc1)S(C)(=O)=O 223881474 QVYWAHXGKDVDFZ-UHFFFAOYSA-N 457.892 2.218 5 40 JEBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c2=O)=N1 409039479 WRHDFJNLLXNRNP-JKALPCAWSA-N 465.487 2.412 5 40 JEBB CCOC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 3172758 FRESPUHCKNXMDA-CVEARBPZSA-N 473.301 2.301 5 40 JEBB O=C(CCSc1ccccc1)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9468934 HCZFSWJMZXRJBC-UHFFFAOYSA-N 473.507 2.413 5 40 JEBB Nc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1[N+](=O)[O-] 12620041 ADMOFKCMWRFSRR-CQSZACIVSA-N 456.933 2.462 5 40 JEBB CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 16558276 RYZQIIJEVKRGGP-UHFFFAOYSA-N 471.514 2.339 5 40 JEBB O=c1/c(=N/Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c2cccc3cccc1c32 9561927 KKGNIDBBIZOCQH-DARPEHSRSA-N 466.475 2.086 5 40 JEBB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2C1=O 9701306 CKMNNSCIQCVLQO-UHFFFAOYSA-N 455.423 2.331 5 40 JEBB Nc1cc(=O)nc(SCC(=O)NCCNc2ccc([N+](=O)[O-])cn2)n1-c1ccc(Cl)cc1 20479181 JGAYZXFKVJZBEO-UHFFFAOYSA-N 475.918 2.092 5 40 JEBB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1 13100716 AIGFFUPCYYNFJB-UHFFFAOYSA-N 492.510 2.020 5 40 JEBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@@H]2CCCN21 15998834 CUMJHSMWEYUXTD-MDTICMOCSA-N 478.461 2.043 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 11691088 ICNNTSBUENZGRU-QLYXXIJNSA-N 491.460 2.122 5 40 JEBB COc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCOCC1 12528766 GAJGUNCBLFEMQA-UHFFFAOYSA-N 467.525 2.355 5 40 JEBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCN1CCOCC1 20610242 GSTDEDRWMOUOQO-DHLKQENFSA-N 489.532 2.093 5 40 JEBB biogenic CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 18102320 IPINFAOGAXNGBR-XSDIEEQYSA-N 474.429 2.117 5 40 JEBB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223792559 RFOIZEIPKQBDEM-OAHLLOKOSA-N 480.518 2.053 5 40 JEBB NC(=O)[C@@H](CCCCNc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)c1ccccc1 8652613 AHBNOKXFVQGYLS-OAHLLOKOSA-N 459.415 2.067 5 40 JEBB CSCC[C@H]1NC(=O)N(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1=O 16694777 ZEDTUGLOMOBNDP-CYBMUJFWSA-N 461.466 2.367 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 253487322 IPINFAOGAXNGBR-MHTWAQMVSA-N 474.429 2.117 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc[nH]3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409178104 JHZLPFNPMOPYHD-OXRZLYTFSA-N 452.492 2.343 5 40 JEBB COc1cc(CCN2C(=O)[C@@H](C(N)=O)[C@H]3C[C@@]2(C)Oc2ccccc23)c([N+](=O)[O-])cc1OC 524733790 PHTLVFVNEIHXLK-UYGSHGSRSA-N 455.467 2.381 5 40 JEBB CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](O)c1ccc([N+](=O)[O-])cc1 3172754 FRESPUHCKNXMDA-JKSUJKDBSA-N 473.301 2.301 5 40 JEBB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 408665462 FKMWPMCJTGQEEH-HNNXBMFYSA-N 485.449 2.315 5 40 JEBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c2=O)=N1 409039484 WRHDFJNLLXNRNP-SQWSFHKJSA-N 465.487 2.412 5 40 JEBB CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4ccc([N+](=O)[O-])cc4)sc3nc2=O)cc1 1869213 GOXDULFBZYNDEX-UYRXBGFRSA-N 450.476 2.347 5 40 JEBB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccccc1C(F)(F)F 408654414 GOUQYJATCGKYTG-GFCCVEGCSA-N 494.382 2.289 5 40 JEBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c1C 12538120 KJDCMLZTTVGJDI-FQEVSTJZSA-N 454.483 2.277 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)C(C)(C)C 103629078 DXMDMGJJFQCPSE-FCQRAFMMSA-N 452.511 2.478 5 40 JEBB CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 106615459 KBQPSGKFNMTNMP-HNAYVOBHSA-N 460.487 2.041 5 40 JEBB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12522835 ZXUIPZXJCRMAJH-UHFFFAOYSA-N 490.538 2.013 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1ccc(OC)cc1 59418496 IFIHJFIFXHOXAH-JAORQVBISA-N 495.513 2.421 5 40 JEBB NS(=O)(=O)c1cccc(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 62722956 MEEVIGVPNFEDCN-UHFFFAOYSA-N 487.460 2.022 5 40 JEBB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 3886162 OSRAXIOMKBPXNK-LJQANCHMSA-N 474.495 2.205 5 40 JEBB COc1ccc(N2C(=O)N=C(O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCN(C)C[C@@H]43)C2=O)cc1 14943692 POOGYTSAJYJEBF-AUSIDOKSSA-N 465.466 2.390 5 40 JEBB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cccc1[N+](=O)[O-] 15692960 ZCTPLEKZXBCWTC-UHFFFAOYSA-N 461.496 2.211 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 15938993 HBZKSFLMPWSZQV-YWFITGJYSA-N 465.487 2.412 5 40 JEBB CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 9493616 AUCJYDYWSQAKEQ-UHFFFAOYSA-N 491.309 2.404 5 40 JEBB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 9882470 YQEIRDSOKTZQOP-LBPRGKRZSA-N 455.876 2.405 5 40 JEBB CS(=O)(=O)[C@](Br)(I)[C@@H](O)c1cccc([N+](=O)[O-])c1 96520989 YBDFJWLIOCLWAY-DTWKUNHWSA-N 450.048 2.157 5 40 JEBB O=C(NCCCN1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1)c1cccc([N+](=O)[O-])c1 8444282 SASZXTLWAOSRSM-UHFFFAOYSA-N 498.540 2.061 5 40 JEBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)/C=C/C=C/OC 13029518 UYPVFKVFAQWUEH-YOAPEUKQSA-N 492.532 2.457 5 40 JEBB CN1CCN(S(=O)(=O)c2ccc(Sc3nnc4[nH]c5ccccc5n34)c([N+](=O)[O-])c2)CC1 22530154 SZCUMLUNPKCTJZ-UHFFFAOYSA-N 473.540 2.206 5 40 JEBB Cc1ccc2nc3c(cc(S(=O)(=O)c4ccccc4)c(=N)n3C[C@H]3CCCO3)c(=O)n2c1 100707558 IQVFAJKHMJYKEP-MRXNPFEDSA-N 450.520 2.449 5 40 JEBB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1 408660776 VGYFVHWMAPCHRQ-CQSZACIVSA-N 474.857 2.232 5 40 JEBB COc1ccc(-n2nnc3c(N4CCN(C(=O)/C=C\c5ccc([N+](=O)[O-])cc5)CC4)ncnc32)cc1 10256418 JTFCANHGFDZWSF-WCIBSUBMSA-N 486.492 2.489 5 40 JEBB O=C(NCc1ccccc1CN1CCCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 40024135 XZGBDUCGSKKQLV-UHFFFAOYSA-N 487.582 2.407 5 40 JEBB COc1ccc(Cn2c(=N)c(C(=O)NC[C@@H]3CCCO3)cc3c(=O)n4ccccc4nc32)cc1 100558715 REVGSMFILFTBCB-SFHVURJKSA-N 459.506 2.094 5 40 JEBB biogenic Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1Cl 138514868 RFBQNMRBBRCLJN-CQSZACIVSA-N 474.857 2.232 5 40 JEBB CCOc1ccccc1OCCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9670698 RMOZJXHYTBVEFS-UHFFFAOYSA-N 463.512 2.296 5 40 JEBB O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@H](CN1CCOCC1)c1ccccc1)OCCCO2 32895554 CNVIUZLVCKVPAC-QGZVFWFLSA-N 463.512 2.108 5 40 JEBB CC[C@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260920160 GDAIXCHDYCQGOH-AUUYWEPGSA-N 483.568 2.420 5 40 JEBB CCC(CC)N(C)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 12522370 HGCSTWWPVMLGPT-UHFFFAOYSA-N 482.603 2.479 5 40 JEBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(O)c4nnn(Cc5ccccc5)c4n3)C2)c1 13083686 RVGGGXSWGCJTKY-MRXNPFEDSA-N 495.521 2.452 5 40 JEBB COc1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3cccc(F)c3)CC2)cc1[N+](=O)[O-] 24898022 UXNMHVNTYADYHN-UHFFFAOYSA-N 466.491 2.078 5 40 JEBB CCCSc1nnc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)s1 224647679 QJWGJGZAMDZREF-UHFFFAOYSA-N 461.547 2.362 5 40 JEBB O=C1NC(=S)N=C(O)C12[C@@H](c1cccc([N+](=O)[O-])c1)NC(=S)N[C@@H]2c1cccc([N+](=O)[O-])c1 20133376 UUCQFLYCBMWFKL-ZIAGYGMSSA-N 486.491 2.121 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccc([N+](=O)[O-])cc1 20801171 HCZUQGXMVNWSNX-RTWAWAEBSA-N 465.510 2.119 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1ccc([N+](=O)[O-])cc1 20801304 RVSQSXOHBCRVNT-PMACEKPBSA-N 469.473 2.262 5 40 JEBB CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 69388833 SCZKMVHYUFREAZ-INIZCTEOSA-N 450.517 2.347 5 40 JEBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9963817 XROLRSQXEJINHF-UHFFFAOYSA-N 460.399 2.144 5 40 JEBB COc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCCCC1 12532199 GPMXWSACMPATHD-UHFFFAOYSA-N 451.505 2.230 5 40 JEBB O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 40139076 GTRZEYMTHONBSR-UHFFFAOYSA-N 487.494 2.243 5 40 JEBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]3[C@H]3CCCN23)cc1 248155746 YXFPVVIKZVIGCR-RCOXNQKVSA-N 465.462 2.447 5 40 JEBB COC(CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1cccc(C)c1C)C2=O)OC 9433810 UBVRBNYYIXMABU-DEOSSOPVSA-N 482.493 2.462 5 40 JEBB CCn1c(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 12581916 ZVIUJOCJBWHKIN-UHFFFAOYSA-N 457.468 2.011 5 40 JEBB CC(=O)N[C@H](Cc1ccc(C)cc1)C(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 13084950 CXHCQJOXLYEPNM-JOCHJYFZSA-N 452.511 2.371 5 40 JEBB O=[N+]([O-])c1ccc(NCCc2cc(F)cc3c2OCOC3)c(S(=O)(=O)N2CCOCC2)c1 59387462 LIVLOOZGXDKBRU-UHFFFAOYSA-N 467.475 2.276 5 40 JEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704611 QNUDUJVDFRRZGE-GFCCVEGCSA-N 451.457 2.168 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O 260947432 VOGHSFZQDCIICK-CABCVRRESA-N 483.568 2.339 5 40 JEBB COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])cc1 408660542 AIXQFUIHMXVSQK-UHFFFAOYSA-N 459.411 2.291 5 40 JEBB O=[N+]([O-])c1cc2c(c(CSc3ccc(S(=O)(=O)N4CCOCC4)cn3)c1)OCOC2 8780278 FBQGUAJWVDUWFY-UHFFFAOYSA-N 453.498 2.170 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 101590101 KNNSJRMLLRFBFY-CGXNFDGLSA-N 474.429 2.117 5 40 JEBB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 3240251 SLKWTLYHFCFEFQ-UHFFFAOYSA-N 471.451 2.457 5 40 JEBB CC1=C[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C[C@@H]1n1nc(O)n(Cc2ccccc2)c1=O 16607236 XNAADNRLVTZLRZ-UFYCRDLUSA-N 475.461 2.404 5 40 JEBB CN1CCN(S(=O)(=O)c2ccc(NCCc3cnn(-c4ccccc4)c3)c([N+](=O)[O-])c2)CC1 32891534 HEEXXSNJSZJAGN-UHFFFAOYSA-N 470.555 2.371 5 40 JEBB COc1ccc(Cn2cc(F)c(=O)n(Cc3ccc(OC)c([N+](=O)[O-])c3)c2=O)cc1[N+](=O)[O-] 2311853 LTRHIRCJKFJUNQ-UHFFFAOYSA-N 460.374 2.079 5 40 JEBB O=C(COC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)c1cccc([N+](=O)[O-])c1 3378917 MFXWUADHJWZHLS-HTAPYJJXSA-N 487.465 2.124 5 40 JEBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(F)c(F)c1F 9255494 FGLAJYJPZSKEPP-UHFFFAOYSA-N 468.373 2.482 5 40 JEBB Cc1ccc(-n2nnc3c(N4CCN(C(=O)Cc5ccc([N+](=O)[O-])cc5)CC4)ncnc32)cc1 10256349 LIXWDBZRUFFLBR-UHFFFAOYSA-N 458.482 2.318 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)Cc1ccc(OC)c(OC)c1 31936946 RWHJOONMYAFQNA-VYIQYICTSA-N 476.489 2.050 5 40 JEBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ncccn2)n[nH]1 409152707 GCADNFFSOJHFEB-HNNXBMFYSA-N 456.488 2.361 5 40 JEBB CCOC(=O)C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1)c1cccc([N+](=O)[O-])c1 12413223 KNFPYDILAONFMO-HNNXBMFYSA-N 451.482 2.471 5 40 JEBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2nc3c(cnn3-c3ccc(F)cc3)c(=O)[nH]2)n1 12444344 ZODCJMLWQFGITB-UHFFFAOYSA-N 464.373 2.496 5 40 JEBB COC(=O)c1sc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)nc1C 14269603 UGHNHJSETQWPHO-UHFFFAOYSA-N 465.513 2.110 5 40 JEBB CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)c1O 409241141 RNQSGNBDICTADM-OQLLNIDSSA-N 456.411 2.239 5 40 JEBB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1[N+](=O)[O-] 4089152 IAZMWVRKKXITLM-UHFFFAOYSA-N 457.512 2.399 5 40 JEBB Nc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)[nH]c(=O)c1NC(=O)c1ccccc1F 9518093 WWASSJOGJAPBSY-UHFFFAOYSA-N 458.431 2.383 5 40 JEBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC(C(=O)N2CCOCC2)CC1 9878391 SEOXZWIDICVHPE-UHFFFAOYSA-N 473.452 2.306 5 40 JEBB Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(=N)n3CCCn3ccnc3)c(=O)n2c1 100848234 XBMKIJLGTLOILZ-UHFFFAOYSA-N 468.521 2.049 5 40 JEBB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1OC 2234131 NVZSQWMQUAEVAT-RZXSNQJFSA-N 476.445 2.209 5 40 JEBB O=C1[C@H]2[C@H]3C=C[C@](CNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])(O3)[C@@H]2C(=O)N1Cc1ccccc1 6446205 ZGOAXPXRXHEUGY-MDPIYQRISA-N 450.407 2.424 5 40 JEBB O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9446065 REQOQPIAAQUSRI-UHFFFAOYSA-N 475.508 2.387 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 20801167 HCZUQGXMVNWSNX-LEWJYISDSA-N 465.510 2.119 5 40 JEBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 25460887 JPLHTLSNWBLMEX-UHFFFAOYSA-N 490.465 2.398 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 408657381 JSURNDQWURFRAP-GFCCVEGCSA-N 458.383 2.046 5 40 JEBB COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 20486145 OOUFOVWUJHDPSC-UHFFFAOYSA-N 455.514 2.497 5 40 JEBB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222989057 RTZGBVKWFHBUMZ-FQEVSTJZSA-N 476.555 2.223 5 40 JEBB O=C1C[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])c2c(nc(N3CCc4ccccc4C3)[nH]c2=O)N1 40390709 JKBSSRDTQQIHTH-OAHLLOKOSA-N 460.450 2.305 5 40 JEBB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])N[C@H]1CCCc2ccccc21 8755283 KXCLYWVGBMBIRW-IBGZPJMESA-N 475.523 2.188 5 40 JEBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3O[C@H](C)C(=O)OC)C2=O)o1 107757742 QQKHQJFIZBWCTQ-RLIURORJSA-N 473.394 2.008 5 40 JEBB O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl 12989589 XINWDQYWMHMKMX-UHFFFAOYSA-N 453.904 2.340 5 40 JEBB Cc1cc(N2CC(=O)N(c3cc(C)c([N+](=O)[O-])cc3[N+](=O)[O-])CC2=O)c([N+](=O)[O-])cc1[N+](=O)[O-] 226818667 ZBMZMNJYJJHMNY-UHFFFAOYSA-N 474.342 2.316 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(O)cc3O)c(=O)n2[C@@H]1c1ccc(C)cc1 408832310 RWJFMQPGBQSKKM-IDQDRXHYSA-N 495.513 2.426 5 40 JEBB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21)Nc1ccccc1[N+](=O)[O-] 10272368 JLRZGEQAKHTQHR-CVEARBPZSA-N 473.243 2.289 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1cccc([N+](=O)[O-])c1 20675042 NJZJNBQDRBKWGL-PMACEKPBSA-N 451.483 2.123 5 40 JEBB Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)C2)n1 40149373 JEGQLBOVGQEARR-QGZVFWFLSA-N 489.554 2.174 5 40 JEBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2C=CC=NN21 229629638 ZVFROKXNWICPMR-MANSERQUSA-N 461.390 2.100 5 40 JEBB C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)Nc1ccccc1[N+](=O)[O-] 12878053 UUTUJTKEDZIAQD-ZIAGYGMSSA-N 455.423 2.289 5 40 JEBB C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 12805509 BQNSNAZQCKGOJH-ZIAGYGMSSA-N 455.423 2.289 5 40 JEBB Cc1c(NC(=O)CCN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cccc1[N+](=O)[O-] 32903062 WAJCTQUPOWDSLV-OAQYLSRUSA-N 454.483 2.216 5 40 JEBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NCCCn3nc4n(c3=O)CCCC4)c([N+](=O)[O-])c2)C1 40135292 FQTAOVAUIUSDGK-CALCHBBNSA-N 492.602 2.458 5 40 JEBB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1[N+](=O)[O-] 9544541 RFPFMNFXQCGTJK-INIZCTEOSA-N 491.522 2.417 5 40 JEBB CCN(C(=O)[C@H](C)OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 12557714 VZERCTGKJUIRSB-RDJZCZTQSA-N 467.544 2.166 5 40 JEBB Cc1cccn2c(=O)c3cc(C(=O)NC[C@H]4CCCO4)c(=N)n(CCCOC(C)C)c3nc12 101075872 MHOJJRVWQPYVMN-QGZVFWFLSA-N 453.543 2.161 5 40 JEBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NCCCO)cc3c3ccnc2c31 8792321 BMKXSLMWVVUAHM-UHFFFAOYSA-N 461.474 2.487 5 40 JEBB biogenic Cc1c(NC(=O)CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c(=O)n(-c2ccccc2)n1C 36386022 XBXIPZDDMCQHGS-UHFFFAOYSA-N 450.499 2.153 5 40 JEBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)cc1Cl 408652675 GNXIDPVHYQBCMR-CYBMUJFWSA-N 474.857 2.232 5 40 JEBB COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 33636274 FATSXZUIXGYWCF-WPNIOXTASA-N 485.543 2.395 5 40 JEBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2C=CC=NN21 230012387 ZVFROKXNWICPMR-OKYOBFRVSA-N 461.390 2.100 5 40 JEBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 9350123 KAWNYORZUKCAHC-YQYRJILISA-N 450.426 2.474 5 40 JEBB NS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])c(Cl)c1 13057657 PFXWXICQTNFUIH-UHFFFAOYSA-N 462.267 2.273 5 40 JEBB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223082557 ZDPNDHVJLKFZPD-FQEVSTJZSA-N 476.555 2.223 5 40 JEBB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224657882 JNHYGICLXBHNPZ-INIZCTEOSA-N 494.545 2.442 5 40 JEBB CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 9779502 DANDPWMETHJRAA-UHFFFAOYSA-N 462.513 2.377 5 40 JEBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCC[C@H](N4CCNC4=O)C3)c([N+](=O)[O-])c2)C1 62580497 HUSPHSLBVYVQQC-CVEARBPZSA-N 451.549 2.009 5 40 JEBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 10256380 BEEFRBQVXBTDOF-UHFFFAOYSA-N 462.445 2.149 5 40 JEBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 4022970 JWXOBDFXTSOVES-UHFFFAOYSA-N 461.905 2.070 5 40 JEBB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(c4ccc(S(C)(=O)=O)cc4[N+](=O)[O-])CC3)c12 32900095 ANLZOIVUNCWNLM-UHFFFAOYSA-N 498.565 2.428 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3N=CC=C[C@@H]3[C@@H]2C1=O 103561828 PRZYYZUUSIPASJ-NMLACTOBSA-N 464.409 2.339 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 9634518 IBQLYDLTDXVFHB-UHFFFAOYSA-N 495.510 2.438 5 40 JEBB NC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1 12374509 KVVYMIKSWPHUSH-CMILKDJGSA-N 497.895 2.144 5 40 JEBB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224078219 PBXGNRGPIHAXSO-GOSISDBHSA-N 490.582 2.265 5 40 JEBB COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCCN21 9327737 CUMJHSMWEYUXTD-QJHDXQOESA-N 478.461 2.043 5 40 JEBB O=C(NCCn1ncc2c(=O)n(Cc3cccc([N+](=O)[O-])c3)cnc21)c1ccc(F)cc1F 12071928 CVSSWQGQADSIOE-UHFFFAOYSA-N 454.393 2.258 5 40 JEBB CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccc(OC)c(OC)c2)c1=N 101041551 GPJNFJIQGDZAKC-UHFFFAOYSA-N 461.522 2.447 5 40 JEBB Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cccc1[N+](=O)[O-] 14277200 MIZSQBHWJONERF-UHFFFAOYSA-N 477.568 2.112 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)CCOc1ccccc1 31937044 QKVYCILOMVEEIM-COOPMVRXSA-N 490.516 2.369 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)N1N=CC=C[C@H]21 104085244 NDUQKTWFNDNHNA-XLNTUCKNSA-N 491.416 2.109 5 40 JEBB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])N[C@@H]1CCCc2ccccc21 8755295 KXCLYWVGBMBIRW-LJQANCHMSA-N 475.523 2.188 5 40 JEBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)n1 9511195 AJBHFMHYLHGOIX-ZDUSSCGKSA-N 485.565 2.313 5 40 JEBB C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9962899 JUPDHFWNEZRCPR-SNVBAGLBSA-N 459.839 2.236 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1ccccc1 17296816 UHQWTQXDPCQBGP-VOMPUTFMSA-N 465.487 2.412 5 40 JEBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCCN21 15998853 DGSJIPGDKZIUTJ-CMCWBKRRSA-N 462.462 2.343 5 40 JEBB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222567297 XVZAGEUGJGKXQR-OAHLLOKOSA-N 496.973 2.486 5 40 JEBB Cc1ccc2nc3c(cc(C(=O)NCc4ccco4)c(=N)n3CCCn3ccnc3)c(=O)n2c1 100848227 WBQWDBWBFSPCIG-UHFFFAOYSA-N 457.494 2.247 5 40 JEBB CCN(c1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1)S(C)(=O)=O 8756189 UPAZBYUPHRBNQD-OAQYLSRUSA-N 474.495 2.031 5 40 JEBB COc1ccc(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1[N+](=O)[O-] 11689623 OZDHQIFMVKQBCB-UHFFFAOYSA-N 461.452 2.179 5 40 JEBB C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 14916221 YLONRNBDZQUGNV-INIZCTEOSA-N 458.540 2.417 5 40 JEBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)/C=C/C=C/OC 13029520 UYPVFKVFAQWUEH-HPCNWNPKSA-N 492.532 2.457 5 40 JEBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCN(S(=O)(=O)c2cccs2)CC1 9465627 MMPDKBBHCPYHKX-UHFFFAOYSA-N 485.487 2.461 5 40 JEBB COc1cc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C2=O)cc(OC)c1OC 32814335 DBFQCLUKTMNWDT-QFIPXVFZSA-N 472.454 2.335 5 40 JEBB NC(=O)c1c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc2c1CCC2 57316570 RWMBYOVSJGORNI-UHFFFAOYSA-N 475.552 2.207 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3N=CC=C[C@@H]3[C@@H]2C1=O 253487762 PRZYYZUUSIPASJ-TTYHFUOFSA-N 464.409 2.339 5 40 JEBB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1 408655692 LTNFTFODMWADDX-CQSZACIVSA-N 474.857 2.232 5 40 JEBB COc1ccc(OC)c(-n2c(-c3ccc([N+](=O)[O-])cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 9282458 OHBMDLUWXXEMMD-UHFFFAOYSA-N 476.449 2.268 5 40 JEBB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 9381107 AVXQDDQJRSGSPG-UHFFFAOYSA-N 490.563 2.361 5 40 JEBB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1 408660774 VGYFVHWMAPCHRQ-AWEZNQCLSA-N 474.857 2.232 5 40 JEBB O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)C1 1335016 KTFFMAZUZSIMGM-INIZCTEOSA-N 459.466 2.491 5 40 JEBB CCN1C[C@H](CN(C)c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)Oc2ccccc21 12633537 YNFOEUJOIPXMST-SFHVURJKSA-N 476.555 2.339 5 40 JEBB O=C(CNC(=O)c1ccco1)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10040480 FXWARQMCFLGDFL-JOCHJYFZSA-N 465.418 2.201 5 40 JEBB O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 15391531 HUVPFBHLVQBJAF-UHFFFAOYSA-N 485.496 2.436 5 40 JEBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@@H]2[C@@H](C)O1 102774892 ACOOERAXNZDZTQ-VLARDLDMSA-N 478.505 2.441 5 40 JEBB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 224259821 GIAKHPWULHBVAB-CYBMUJFWSA-N 467.500 2.264 5 40 JEBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=CC=NN2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)cc1 18059123 VKQYRBOXMWISRT-XSDIEEQYSA-N 474.429 2.117 5 40 JEBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1CCN1CCOCC1 20610427 FTHDVJZSIXPSSM-WIOPSUGQSA-N 489.532 2.093 5 40 JEBB biogenic O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619192 HAMOXNBEUIMKJG-UHFFFAOYSA-N 473.449 2.424 5 40 JEBB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1[N+](=O)[O-] 408659900 KHDCRRCKKACIQQ-INIZCTEOSA-N 467.434 2.474 5 40 JEBB O=C(CSC1=NCCS1)NC(NC(=O)CSC1=NCCS1)c1cccc([N+](=O)[O-])c1 12042518 SFAPITUJMGHLFK-UHFFFAOYSA-N 485.638 2.498 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 36047563 PYAKHLHQUKLGAW-JCAJYURWSA-N 495.513 2.421 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(-n2ccnc2C)cc1)S(C)(=O)=O 44838954 FOCJXZMPPRDLQV-UHFFFAOYSA-N 473.511 2.180 5 40 JEBB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1 408572543 JRTZTZYXSSSJAS-UHFFFAOYSA-N 457.512 2.260 5 40 JEBB O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Br 34854169 FDXRCZCUWZVLLH-UHFFFAOYSA-N 483.344 2.302 5 40 JEBB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 9491010 QSZAVLRPGOLDLK-ZDUSSCGKSA-N 498.473 2.290 5 40 JEBB COc1ccccc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 9934652 VEZVNPPMCBUZBM-UHFFFAOYSA-N 485.566 2.277 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 10342462 LLSXXBNYTUUFAL-LEWJYISDSA-N 481.509 2.132 5 40 JEBB CCCCN(CC)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 12513782 MXJRWQKXMWXQHL-UHFFFAOYSA-N 482.603 2.481 5 40 JEBB COC(=O)[C@H](C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2nc1O 8653485 KMPWEKGMEWBRSH-AWEZNQCLSA-N 489.784 2.270 5 40 JEBB CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(CC(C)C)CC(C)C)cc1[N+](=O)[O-] 9961146 GRZJMRKMGPYTFW-UHFFFAOYSA-N 475.589 2.279 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1cccc([N+](=O)[O-])c1 20675066 YCEKYLLJPSHYAB-PMACEKPBSA-N 469.473 2.262 5 40 JEBB CC(C)[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)N1CCCCCC1 57748595 VTGADFYNRPYJKB-FQEVSTJZSA-N 468.576 2.455 5 40 JEBB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225463709 BXVRCJKIEISUQP-KRWDZBQOSA-N 476.555 2.303 5 40 JEBB C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc([N+](=O)[O-])cc2)CCN1 39931792 RULKBCWWUQMAPT-GFCCVEGCSA-N 453.411 2.303 5 40 JEBB COC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408614688 GKVPGWUOPZTZPV-OAHLLOKOSA-N 451.501 2.258 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cc(OC)cc(OC)c1 2494513 MLWKUXKXJBAHPJ-QLYXXIJNSA-N 462.462 2.121 5 40 JEBB O=C([C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1)N1CCCC1 9477473 GCFWOQZKIFASPH-NRFANRHFSA-N 475.523 2.358 5 40 JEBB COC[C@@H](C)NS(=O)(=O)c1ccc(Nc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 33012217 MQTNJPXSILGWRC-OAHLLOKOSA-N 450.517 2.488 5 40 JEBB CC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(-n4c(C)c[nH]c4=O)c3)cc2[N+](=O)[O-])CC1 78716652 VALNBIHLVAZJBM-UHFFFAOYSA-N 464.482 2.303 5 40 JEBB CC(C)N(C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1)C1CC1 12523455 HICMIOSMVDOWLP-UHFFFAOYSA-N 480.587 2.232 5 40 JEBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1[N+](=O)[O-] 21326097 DCADAHDBLJALHA-UHFFFAOYSA-N 462.528 2.156 5 40 JEBB COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1ccc(C)cc1C)C2=O)OC 9488034 IVGIWPGRWSVHLN-XMMPIXPASA-N 482.493 2.462 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC 59418421 KGDATEVONSCXKT-OWMRDYPQSA-N 499.501 2.317 5 40 JEBB Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 9634675 RMTOGGSMPRXLNF-UHFFFAOYSA-N 455.876 2.407 5 40 JEBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCCC3=O)cc2)cc1[N+](=O)[O-] 12535925 DQTFTTRSSIBLOK-UHFFFAOYSA-N 460.512 2.446 5 40 JEBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3O[C@@H](C)C(=O)OC)C2=O)o1 107757732 QQKHQJFIZBWCTQ-HOXUKUGESA-N 473.394 2.008 5 40 JEBB O=C(c1cccc([N+](=O)[O-])c1)N1CCC(c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)CC1 1325128 RAZAVJHCZZZHSW-UHFFFAOYSA-N 459.466 2.491 5 40 JEBB Cc1cc(NC(=O)CSc2nnc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)s2)no1 35597082 OHUJJRINNQLYJH-UHFFFAOYSA-N 489.539 2.436 5 40 JEBB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1C 3370377 GFMHOFFUKFOPNT-UHFFFAOYSA-N 452.441 2.160 5 40 JEBB CC(C)CNC(=O)CN1CCN(c2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])CC1 57303665 BZMUIJKUIPHKQX-UHFFFAOYSA-N 495.646 2.346 5 40 JEBB O=C(COC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)c1cccc([N+](=O)[O-])c1 3378914 MFXWUADHJWZHLS-VGOFRKELSA-N 487.465 2.124 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 9354452 IPINFAOGAXNGBR-CGXNFDGLSA-N 474.429 2.117 5 40 JEBB CCOC(=O)C1=C(COC(=O)c2cc([N+](=O)[O-])ccc2NCCOC)NC(=O)N[C@@H]1c1ccco1 19356191 LPZZFNJRKAFNAJ-LJQANCHMSA-N 488.453 2.274 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 253487445 KNNSJRMLLRFBFY-MHTWAQMVSA-N 474.429 2.117 5 40 JEBB Cc1nnc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)o1 8826199 SLJBBEQHBBYSOK-UHFFFAOYSA-N 478.531 2.316 5 40 JEBB O=C([C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1)N1CCN(Cc2ccccc2)CC1 25329623 WTFDYSRCRZLZBK-FQEVSTJZSA-N 472.567 2.340 5 40 JEBB CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 9985050 HLTPQEVADLJCNU-UHFFFAOYSA-N 497.913 2.284 5 40 JEBB O=C1[C@@H]2[C@H]3C=C[C@](CNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])(O3)[C@@H]2C(=O)N1Cc1ccccc1 6446204 ZGOAXPXRXHEUGY-NXWNEQKCSA-N 450.407 2.424 5 40 JEBB O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 12525641 VYZXXGMHXGTWEC-UHFFFAOYSA-N 494.327 2.380 5 40 JEBB COc1ccc(OC)c(CN2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 24664314 XVXVIHBFWMHFRQ-UHFFFAOYSA-N 456.499 2.076 5 40 JEBB Cc1c(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(-c2ccccc2)n1C 36380467 PUPHDMNOAORYGQ-UHFFFAOYSA-N 450.499 2.153 5 40 JEBB CC1CCN(C(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)CC1 408536139 YGBKPYQNUHAKGM-MFOYZWKCSA-N 473.511 2.080 5 40 JEBB CCOC(=O)C1=C(COC(=O)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)C)NC(=O)N[C@@H]1C 9493672 CKRJFLDZLIIKKW-DIFFPNOSSA-N 496.904 2.064 5 40 JEBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@@H]3C=CC=NN32)cc1OC 138019948 NVZSQWMQUAEVAT-ZXNZYJFHSA-N 476.445 2.209 5 40 JEBB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc([N+](=O)[O-])o4)c(=O)n32)cc1OCC 408942395 XRDBZUNYHJMEAH-OLROSQPISA-N 499.501 2.317 5 40 JEBB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)ccc1[N+](=O)[O-] 12737933 BSZKBMXRZBYOSR-UHFFFAOYSA-N 461.496 2.211 5 40 JEBB CCOCCCn1/c(=N/C(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 13029628 XNWAVXOFYMNWHM-XAYXJRQQSA-N 475.505 2.389 5 40 JEBB Cc1ccc(N2C(=O)[C@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 34701841 KAWNYORZUKCAHC-ZQDYSYBYSA-N 450.426 2.474 5 40 JEBB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)cc1 40399916 LXRYCLDJRBGLPW-CYBMUJFWSA-N 450.411 2.495 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16010296 KFTWQOYSBQMODJ-XWQURZDVSA-N 450.451 2.184 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1ccccc1OC 31937029 WUZWGWBJSJNMJH-QYQHSDTDSA-N 476.489 2.222 5 40 JEBB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222473023 LHQXAVTVRPFLNX-KRWDZBQOSA-N 476.555 2.141 5 40 JEBB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 10337788 YPNQYMVAVOUWKG-UHFFFAOYSA-N 481.483 2.112 5 40 JEBB COc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c1 108118357 ZKRQICBRTCGQRO-UHFFFAOYSA-N 485.566 2.277 5 40 JEBB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223570925 UMCBBRMOKOINIJ-KRWDZBQOSA-N 476.555 2.223 5 40 JEBB O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCCC2)Nc1cccc([N+](=O)[O-])c1 22909166 GDXOWGRSSHPVIC-UHFFFAOYSA-N 473.555 2.093 5 40 JEBB Cn1c(=O)c2c(n(C)c1=O)n1c(-c3ccc([N+](=O)[O-])cc3)nnc1n2CCCc1ccccc1 32815353 JUTONDYUQDAYKP-UHFFFAOYSA-N 459.466 2.289 5 40 JEBB Cc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1 8687789 MPANMNYYLHLTCW-UHFFFAOYSA-N 490.538 2.013 5 40 JEBB Cc1csc(Sc2ccc(C(=O)OCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])n1 9511045 PEQMHOXBVNVQON-ZDUSSCGKSA-N 485.565 2.313 5 40 JEBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@H]3CCCN23)cc1 34704280 YXFPVVIKZVIGCR-OTNPHJDUSA-N 465.462 2.447 5 40 JEBB O=C1[C@@H]2[C@@H]3C=C[C@](CNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])(O3)[C@@H]2C(=O)N1Cc1ccccc1 100510332 ZGOAXPXRXHEUGY-LMVRJCEZSA-N 450.407 2.424 5 40 JEBB CCOC(=O)Cn1/c(=N/C(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2cc(S(N)(=O)=O)ccc21 100877699 SAHZJDBCBQFSNU-UZYVYHOESA-N 498.926 2.216 5 40 JEBB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223864977 DWUJBVQWRTWYCI-MRXNPFEDSA-N 494.545 2.443 5 40 JEBB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 9669657 GTWZNHLARDJZPJ-UHFFFAOYSA-N 476.555 2.344 5 40 JEBB COCCn1/c(=N/C(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2cc(S(N)(=O)=O)ccc21 100872922 QPKBNUBZLLLGJN-DYBBPNSKSA-N 462.509 2.046 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 9359268 VFSOXSCPZBQZCA-HTIQSUCMSA-N 466.425 2.174 5 40 JEBB CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)ccc1C 9579936 DPUWAIBPTYRQRR-UHFFFAOYSA-N 474.495 2.168 5 40 JEBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1CCN1CCOCC1 20610429 FTHDVJZSIXPSSM-DHLKQENFSA-N 489.532 2.093 5 40 JEBB biogenic COc1ccc(OC)c2c1CN(c1ccc(S(=O)(=O)N3CCCC3)cc1[N+](=O)[O-])C[C@H]2O 21674263 BLVFSOKBGZVBBA-GOSISDBHSA-N 463.512 2.450 5 40 JEBB COc1ccc(CCn2c(=N)c(C(=O)NC[C@H]3CCCO3)cc3c(=O)n4ccccc4nc32)cc1 101037044 FNVLHHDBLFNNAM-LJQANCHMSA-N 473.533 2.289 5 40 JEBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3286282 KJMCPIMTQFNPNZ-UHFFFAOYSA-N 489.462 2.470 5 40 JEBB O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8662206 FICMTSNJFLMXEZ-IBGZPJMESA-N 478.534 2.392 5 40 JEBB COc1cc(NS(=O)(=O)c2ccc(Nc3c([N+](=O)[O-])cncc3[N+](=O)[O-])cc2)nc(OC)n1 6088735 RYLGBXGTZFMPIT-UHFFFAOYSA-N 477.415 2.250 5 40 JEBB CCOC(=O)C1=C(COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])NC(=O)N[C@@H]1C 9224325 GTQKYHIKCYIQJA-SECBINFHSA-N 460.365 2.087 5 40 JEBB CCN(CC)C(=O)CSc1nnc(S[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1N 22533182 IIVKLOAUNSYFET-SNVBAGLBSA-N 471.540 2.119 5 40 JEBB Cc1cc(Cl)ccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 89591189 IHLPGJXCRGSBGG-UHFFFAOYSA-N 453.904 2.469 5 40 JEBB COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(C[C@@H]3CCCO3)c2=N)cc1 101037543 DGPGMTUZDMCBRQ-SFHVURJKSA-N 459.506 2.246 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1cccc(C)c1C)S(C)(=O)=O 223919454 RPDACTLYULPRHL-UHFFFAOYSA-N 451.501 2.181 5 40 JEBB Cc1ccc2nc3c(cc(C(=O)NC4CCCCC4)c(=N)n3CCCN3CCOCC3)c(=O)n2c1 15952802 GTMFTNXGCULFHU-UHFFFAOYSA-N 478.597 2.222 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(F)cc1 408773410 KMOBULURRITBFB-QWSHFYNQSA-N 457.439 2.439 5 40 JEBB O=C(COC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)c1cccc([N+](=O)[O-])c1 3378921 MFXWUADHJWZHLS-JTSKRJEESA-N 487.465 2.124 5 40 JEBB O=C(O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(I)c2O)C1=O 409135489 RLBRTGFRBSYRQF-KRXBUXKQSA-N 450.166 2.026 5 40 JEBB COCCCNC(=O)CCCn1c(=O)c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O 13573861 VNVQAIASQZYVBV-UHFFFAOYSA-N 454.483 2.053 5 40 JEBB C[C@@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260920078 FLSZJTZYHYCTKG-KGLIPLIRSA-N 469.541 2.030 5 40 JEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)N1N=CC=C[C@H]21 104043154 UBGFRGFUWFQAGY-WTGUMLROSA-N 475.417 2.408 5 40 JEBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCCN21 9360042 JQLILFXQTBDGDW-TYZOXTDXSA-N 462.462 2.343 5 40 JEBB Cn1nnnc1Sc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1[N+](=O)[O-] 23957282 XHNSFUOBHUEZBJ-GOSISDBHSA-N 487.517 2.212 5 40 JEBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] 408662642 XFMPHIZJOZYBMA-CQSZACIVSA-N 474.857 2.232 5 40 JEBB Cc1ccc(NC(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1[N+](=O)[O-] 15913039 KJUZJMWNUFPKBY-UHFFFAOYSA-N 491.522 2.039 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O 248340572 UZULCSSVBFAWMU-PLLBJWBMSA-N 462.462 2.343 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 408672811 XDPVCUHEUKNYNN-ZDUSSCGKSA-N 472.410 2.355 5 40 JEBB O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)OCc1cc(=O)n2cc(Br)ccc2n1 9540217 VQFAUEJEYGAWOJ-UHFFFAOYSA-N 495.673 2.492 5 40 JEBB CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OCC 8824897 YJQBHCIEFDMGNM-UHFFFAOYSA-N 475.454 2.313 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](CCSC)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 102558818 SVAYYPFVOXXCKI-JYISGYRJSA-N 482.518 2.282 5 40 JEBB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(C(F)(F)F)c1 408653093 HWCSIQXLKDMDBN-CYBMUJFWSA-N 494.382 2.289 5 40 JEBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c2=O)=N1 409043175 ZYVDGHSGJYROOU-IDQDRXHYSA-N 493.497 2.435 5 40 JEBB COC(=O)C[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604419498 AUNSUUGRTINKEJ-OAHLLOKOSA-N 470.438 2.160 5 40 JEBB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCc3cccc([N+](=O)[O-])c3)o2)cc1 9518684 YCZRKBYSNKBSFL-UHFFFAOYSA-N 477.524 2.450 5 40 JEBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21 15997033 JQLILFXQTBDGDW-QLBZUPSYSA-N 462.462 2.343 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 18120856 UKIMYBMMSAINOY-XXPWESIGSA-N 462.462 2.343 5 40 JEBB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cc(OC)ccc3[N+](=O)[O-])cc2C1=O 408666608 RGVZZGRPGUMKPI-UHFFFAOYSA-N 471.422 2.031 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)Cc1ccccc1 31937051 SLSVKMBADIJEOW-VYIQYICTSA-N 460.490 2.142 5 40 JEBB O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 9382040 OLXRQPHPIYIIBP-UHFFFAOYSA-N 497.468 2.013 5 40 JEBB O=C(c1ccco1)N1CCN(C(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cnc([N+](=O)[O-])n2)(C4)C3)CC1 100977496 MXCTZZAQVVKSEC-TUKZGULFSA-N 454.487 2.059 5 40 JEBB CC[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224581026 FNEYORGUGJBGTQ-JOCHJYFZSA-N 490.582 2.288 5 40 JEBB C=C/C=C/OCC(=O)/N=c1/c(C(=O)OCC)cc2c(=O)n3ccccc3nc2n1CCCOCC 102880396 GOLKLPDIWUYYDA-ZCAJJJBYSA-N 480.521 2.396 5 40 JEBB CCn1c(SCC(=O)N2CCN(C)CC2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 139819512 VRWSBHVBQCPPBZ-LJQANCHMSA-N 489.602 2.199 5 40 JEBB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 408668567 MCMVLQYFVHWWNY-OAHLLOKOSA-N 455.423 2.306 5 40 JEBB C[C@@H](OC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9127201 LKVFMDYMASCAOF-CQSZACIVSA-N 476.511 2.417 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc2c(c1)sc(=O)n2C)S(C)(=O)=O 225039959 PCTFANNFJWPMPL-UHFFFAOYSA-N 450.498 2.221 5 40 JEBB COC(=O)c1c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)sc2c1CCC2 408614652 FYXDEAOCEOJRNV-UHFFFAOYSA-N 453.498 2.336 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 253487444 KNNSJRMLLRFBFY-BURNTYAHSA-N 474.429 2.117 5 40 JEBB Cc1cc(C(=O)NCC(=O)OCC(=O)Nc2cccc(I)c2)ccc1[N+](=O)[O-] 3301371 DAXVAJJLEOXVNS-UHFFFAOYSA-N 497.245 2.420 5 40 JEBB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 13649259 FLFHDIKHBPJGDR-UHFFFAOYSA-N 465.484 2.493 5 40 JEBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 15385362 KVQCLEQXBYWGTG-UHFFFAOYSA-N 462.503 2.481 5 40 JEBB CC(=O)c1c(C)nn([C@@H](C)CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C 84008508 QYIULWIRSZTRBM-AWEZNQCLSA-N 477.543 2.095 5 40 JEBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 9492765 VOSPCSIVMCZMDY-UHFFFAOYSA-N 483.886 2.065 5 40 JEBB O=C(NC1CCCCC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 9562660 PYIBPNRTSZGJIY-UHFFFAOYSA-N 480.587 2.281 5 40 JEBB CCCCN(C)C(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 12527647 GAJMJKJVZVUBBH-UHFFFAOYSA-N 468.576 2.091 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2cc(F)cc3c2OCOC3)CC1 12782657 LMSCZFKKAWHLPK-UHFFFAOYSA-N 451.476 2.415 5 40 JEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 18933894 IZECBAAEHRDTAP-INIZCTEOSA-N 488.566 2.426 5 40 JEBB Cc1c(Cl)cc(S(=O)(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 36392108 DTKNFCSNWABBBK-UHFFFAOYSA-N 462.956 2.388 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)CC1=O 408665488 FMVQLMFJNXFQPV-OAHLLOKOSA-N 455.423 2.341 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc(OC)c(OC)c1 1060727 BJQCGYZSSPCDJW-QLYXXIJNSA-N 462.462 2.121 5 40 JEBB COc1ccc(S(=O)(=O)N2CCN(c3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])CC2)cc1 48287681 QQSHSQKJQYCPEF-UHFFFAOYSA-N 485.522 2.079 5 40 JEBB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222567368 XVZAGEUGJGKXQR-HNNXBMFYSA-N 496.973 2.486 5 40 JEBB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)cc2O1 888089318 VGKNIIGOOSGYFA-KGLIPLIRSA-N 483.477 2.231 5 40 JEBB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9662812 WDOPZOAYJZIVAL-UHFFFAOYSA-N 460.512 2.468 5 40 JEBB O=[N+]([O-])c1ccccc1S(=O)(=O)NS(=O)(=O)c1nnc(-c2ccccc2Cl)s1 19419329 PIYSXMVTFQEXCB-UHFFFAOYSA-N 460.902 2.434 5 40 JEBB Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@H](CNS(N)(=O)=O)C3)c([N+](=O)[O-])c2)c(C)c1 62632970 ZFPOVGVIDDWOCV-MRXNPFEDSA-N 497.599 2.022 5 40 JEBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)C1 1335027 NBVYMHQHDCYCRK-KRWDZBQOSA-N 459.466 2.491 5 40 JEBB C[C@H](OC(=O)CNS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9962897 JUPDHFWNEZRCPR-JTQLQIEISA-N 459.839 2.236 5 40 JEBB O=C1NC(=S)N=C(O)C12[C@H](c1cccc([N+](=O)[O-])c1)NC(=S)N[C@@H]2c1cccc([N+](=O)[O-])c1 20133379 UUCQFLYCBMWFKL-OKILXGFUSA-N 486.491 2.121 5 40 JEBB CCCOc1ccc(Cc2nn3c(=O)/c(=C\c4cccc([N+](=O)[O-])c4)sc3nc2=O)cc1 26779364 LZXACQQJXYTRDG-CPNJWEJPSA-N 450.476 2.347 5 40 JEBB CCOC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@@H](c2cc([N+](=O)[O-])ccc2O)[C@@H]1C(=O)OCC 90444888 UJBMHTQZNUGEQA-OBJOEFQTSA-N 454.482 2.399 5 40 JEBB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224657832 JNHYGICLXBHNPZ-MRXNPFEDSA-N 494.545 2.442 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1ccccc1F 31937025 PFBKBSWOBZDHAY-MEFGMAGPSA-N 464.453 2.353 5 40 JEBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 10256480 TVLZRRJFBOIZHX-UHFFFAOYSA-N 458.482 2.069 5 40 JEBB CCN1C[C@@H](CN(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])Oc2ccccc21 15117390 QXYJNYROHSBNCS-QGZVFWFLSA-N 476.555 2.339 5 40 JEBB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 24766874 YYMPSZJEOCXEJC-UHFFFAOYSA-N 457.439 2.404 5 40 JEBB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223487499 HDOZGGNVWZTDKR-FQEVSTJZSA-N 490.582 2.265 5 40 JEBB COc1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1 9493112 ZVFGASGCBDHZTF-UHFFFAOYSA-N 471.513 2.284 5 40 JEBB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 9510202 YSVMFYXCBIOJBA-QGZVFWFLSA-N 481.552 2.485 5 40 JEBB O=C(Cn1cnc2ccccc2c1=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 13074660 KMXGJTOALKUYMT-UHFFFAOYSA-N 471.476 2.233 5 40 JEBB C[C@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225060677 CPPIUPQKZHXYRJ-LLVKDONJSA-N 450.498 2.301 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 11117681 HOYYUCDVWGGLEZ-UHFFFAOYSA-N 458.540 2.337 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 15938987 PYAKHLHQUKLGAW-PRWBYUBPSA-N 495.513 2.421 5 40 JEBB C[C@H](NC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C12CC3CC(CC(C3)C1)C2 9612460 WBPGHRCCGFJHHM-ZBNOLQPOSA-N 469.494 2.455 5 40 JEBB CCOc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C 13127854 WZRRVURINKWYNL-UHFFFAOYSA-N 458.456 2.464 5 40 JEBB O=C1[C@H]2[C@H]3C=C[C@@](CNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])(O3)[C@@H]2C(=O)N1Cc1ccccc1 230516298 ZGOAXPXRXHEUGY-GHDARCQNSA-N 450.407 2.424 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O 248340571 UZULCSSVBFAWMU-CSNZXNIXSA-N 462.462 2.343 5 40 JEBB N=c1c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1 100479532 UQXVMCPFDVTXMC-UHFFFAOYSA-N 480.484 2.231 5 40 JEBB aggregator CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 106019440 RYTYBAMWBXKNBE-FBAVSBLXSA-N 452.492 2.273 5 40 JEBB Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)c(=N)n(CCCn4ccnc4)c3nc12 100831805 RKFURWNPUPAKCH-UHFFFAOYSA-N 468.521 2.049 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](CCSC)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 102889040 HJUNOOOQDQIEJY-LPSTTYAQSA-N 482.518 2.282 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 219674322 SQCXOBFMWQIEHY-BYHQVZLYSA-N 493.497 2.435 5 40 JEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OC[C@H](O)CNCc1ccc(F)cc1 9950639 ULAPRYMKAOMRKS-QGZVFWFLSA-N 453.492 2.048 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccccc1Cl)S(C)(=O)=O 223881564 VMNNDAFBRMAJOL-UHFFFAOYSA-N 457.892 2.218 5 40 JEBB CCOc1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n(CCN3CCOCC3)c2=N)cc1 704054 XQXSDLIHYKRRGP-UHFFFAOYSA-N 488.548 2.112 5 40 JEBB O=C(O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC(=S)NC[C@@H]1CCCO1 9662901 IOKDHWBZOPEODU-ZDUSSCGKSA-N 495.539 2.064 5 40 JEBB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 102384587 NHLRZHVLKVYFEL-BIPCEHGGSA-N 478.427 2.069 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)CCC3=O)c2)CC1=O 408658552 JQCYMYBMHLNGIZ-CYBMUJFWSA-N 453.407 2.215 5 40 JEBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 3393700 CPYAYNYJGMCRED-UHFFFAOYSA-N 473.463 2.217 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccccc1 8400264 JFHMKKLQAZOWCP-XYSGSMRZSA-N 465.487 2.412 5 40 JEBB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224373171 FQOLUEMKOTXFHM-FQEVSTJZSA-N 494.545 2.443 5 40 JEBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc(C(=O)O)c1O 20153145 ADEPPQHRSABFME-UHFFFAOYSA-N 460.468 2.270 5 40 JEBB COc1cc2c(cc1OC)CN(c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)CC2 12639606 HNSRWFVVIIJMBR-UHFFFAOYSA-N 463.512 2.196 5 40 JEBB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(ncn5c(SCC(N)=O)nnc45)c23)CO1 20546441 QUKXRNHDTNOQHG-UHFFFAOYSA-N 485.595 2.153 5 40 JEBB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)COc1ccc(S(=O)(=O)N3CCOCC3)cc1[N+](=O)[O-])C2 108982007 HVDWHTBEJSWVBU-OHEPNIRZSA-N 481.571 2.326 5 40 JEBB O=c1/c(=C2/C(O)=Nc3ccc([N+](=O)[O-])cc32)sc2n1CN(c1cccc(Br)c1)CN=2 8974592 ZCRAVBCNRTXDRP-NXVVXOECSA-N 486.307 2.436 5 40 JEBB O=C(/C=C\c1ccc2c(c1)OCO2)NCCn1ncc2c(=O)n(Cc3cccc([N+](=O)[O-])c3)cnc21 12071877 OTAVEVLUVINOAU-ALCCZGGFSA-N 488.460 2.108 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 59418566 GTZVMWNXEFSOLO-JKALPCAWSA-N 495.513 2.421 5 40 JEBB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)N(CCNc2ccc([N+](=O)[O-])cn2)C1=S 20171425 YILJRQGGNRSZKK-QGZVFWFLSA-N 472.527 2.257 5 40 JEBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@H]2CCCN21 35104944 AKOZZOGJIMQJRC-OKFYXZINSA-N 462.462 2.343 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1nnc(SC(C)C)s1)S(C)(=O)=O 222593198 PGFIONBKKHJESY-UHFFFAOYSA-N 461.547 2.360 5 40 JEBB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C 9630703 FQAOQRXWUQTLAA-UHFFFAOYSA-N 488.482 2.431 5 40 JEBB CN(Cc1cnn(-c2ccccc2)c1)C(=O)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 13010786 BYXXMQSKGJCJBK-UHFFFAOYSA-N 452.423 2.367 5 40 JEBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 10758158 RYTMUOVTHBKIEI-UXBLZVDNSA-N 487.534 2.301 5 40 JEBB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@H]3CCCN32)cc1 9353317 YXFPVVIKZVIGCR-RZXSNQJFSA-N 465.462 2.447 5 40 JEBB CCOC(=O)c1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 13669590 ZRAVXDVABCDQTC-UHFFFAOYSA-N 451.457 2.185 5 40 JEBB O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22707646 IPPLDARXRAGQTP-UHFFFAOYSA-N 471.539 2.395 5 40 JEBB CN1CCN(S(=O)(=O)c2ccc(NCc3ccccc3Cn3cccn3)c([N+](=O)[O-])c2)CC1 28620919 AOQFNCIPLDJIBO-UHFFFAOYSA-N 470.555 2.388 5 40 JEBB O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1c(F)c(F)c(F)c(F)c1F 36398745 LTHJTGKEWMPOSV-UHFFFAOYSA-N 494.398 2.235 5 40 JEBB Cc1ccc2nc3c(cc(C(=O)N[C@@H](C)c4ccccc4)c(=N)n3CCN3CCOCC3)c(=O)n2c1 16742320 IMIPSDRGKCXAPE-IBGZPJMESA-N 486.576 2.260 5 40 JEBB O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1[nH]nc([N+](=O)[O-])c1Br 19832237 SGHZPIBUJHICDN-UHFFFAOYSA-N 464.280 2.015 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cccc([N+](=O)[O-])c3)c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])o1 408731815 PZOCOYWEEQGUIV-QWSHFYNQSA-N 484.446 2.317 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 10342461 LLSXXBNYTUUFAL-NHCUHLMSSA-N 481.509 2.132 5 40 JEBB CCC(=O)N[C@](Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)(C(=O)OC)C(F)(F)F 2050402 VYWVXPWBNRZHOT-HNNXBMFYSA-N 496.445 2.254 5 40 JEBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)N1C[C@@H](C)O[C@H](C)C1 104875529 OMRUMKWRASMLSI-XNJGSVPQSA-N 487.962 2.279 5 40 JEBB CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4Cl)CC3)nn2)CC1 15391650 IIENBPPGZBGXNX-UHFFFAOYSA-N 459.938 2.143 5 40 JEBB CCN(CC)C(=O)CSc1nnc(S[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1N 22533178 IIVKLOAUNSYFET-JTQLQIEISA-N 471.540 2.119 5 40 JEBB CCn1c(=N)c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c(=O)n3cccc(C)c3nc21 101121317 PCXSQZDJBJPNIP-UHFFFAOYSA-N 461.522 2.447 5 40 JEBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9127912 FJNWHQDJPLHTQM-UHFFFAOYSA-N 489.539 2.306 5 40 JEBB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 408574574 SBMPOOCXGJFKOU-UHFFFAOYSA-N 487.538 2.269 5 40 JEBB O=C(CNC(=O)c1ccco1)NCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10040481 FXWARQMCFLGDFL-QFIPXVFZSA-N 465.418 2.201 5 40 JEBB CCCC(=O)Nc1nnc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)s1 20486195 NOAMCMUBVXLNQO-UHFFFAOYSA-N 474.952 2.349 5 40 JEBB CCOC(=O)C1=C(C)N=C(NN)N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732750 YHPOFWSADPMGEJ-FQEVSTJZSA-N 455.471 2.483 5 40 JEBB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 9670788 BZBKTGBGOLKVAR-CMDGGOBGSA-N 451.432 2.114 5 40 JEBB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1 32932865 YGFSQQCXHHZTKV-UHFFFAOYSA-N 496.611 2.356 5 40 JEBB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223659616 MVCJPBKKNHRGJI-KRWDZBQOSA-N 476.555 2.223 5 40 JEBB COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 13603396 VPUTYVRHEJCWOJ-PRWBYUBPSA-N 493.497 2.242 5 40 JEBB COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c1 9699339 YZAVDFLGYBUHJM-UHFFFAOYSA-N 456.484 2.393 5 40 JEBB COc1cc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 16749705 YNQIIAFGFQSHBG-KRWDZBQOSA-N 464.496 2.450 5 40 JEBB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 24321113 SRBVKFQEAHSTDJ-UHFFFAOYSA-N 474.539 2.146 5 40 JEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16001518 YDSDGRPYRSJFHX-YWNPBTLJSA-N 450.426 2.474 5 40 JEBB O=C(NCCc1cnc[nH]1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@H](Cn4c3cccc4=O)[C@@H]12 1547139019 YPXSAKDHZNHBOF-MBBIILEFSA-N 474.521 2.003 5 40 JEBB COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 9095359 BKNMFIMZLTYLLH-UHFFFAOYSA-N 488.566 2.353 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C 9112527 BLPXKMLASWMLER-QGZVFWFLSA-N 478.483 2.080 5 40 JEBB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225393517 PHOCOWXACISOIH-CQSZACIVSA-N 482.946 2.178 5 40 JEBB COc1cc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c([N+](=O)[O-])cc1OC 3450280 HFCBMXDQELPBCU-UHFFFAOYSA-N 470.438 2.205 5 40 JEBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1ccncc1 9222953 CAFDLMWSAYPHBY-USAHCJTHSA-N 487.516 2.449 5 40 JEBB O=C(CNc1ccc(F)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 11160691 AQMAHTHKXWZXJB-UHFFFAOYSA-N 462.503 2.168 5 40 JEBB O=C(CSc1nnc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)s1)NCc1ccco1 36705342 FPASOJGMZGZZTO-UHFFFAOYSA-N 488.551 2.410 5 40 JEBB Cn1c(=O)c2c(SCC(=O)N3CCCCCC3)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O 9411391 ZDCFEKYNLCZPGQ-UHFFFAOYSA-N 484.538 2.097 5 40 JEBB COCCCn1c(=N)c(C(=O)NCCc2ccc(OC)cc2)cc2c(=O)n3ccccc3nc21 100755767 AYKKIQZLVROKPA-UHFFFAOYSA-N 461.522 2.146 5 40 JEBB biogenic COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408672706 ZNKXRBIGNIGFAF-YDIRCUSSSA-N 473.482 2.141 5 40 JEBB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1OC 9354119 AHWPIDXIVWTZQJ-RZXSNQJFSA-N 476.445 2.209 5 40 JEBB COc1ccc2c(COC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc(=O)oc2c1 13148396 SUFPAFNLVVCCLB-UHFFFAOYSA-N 452.375 2.439 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](CCSC)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 16033883 HJUNOOOQDQIEJY-HZNUMKHLSA-N 482.518 2.282 5 40 JEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 248133456 YDSDGRPYRSJFHX-LVBDUCALSA-N 450.426 2.474 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(OC)cc1 2139850 NDSSTYXKWDQIKJ-JKALPCAWSA-N 495.513 2.421 5 40 JEBB COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1[N+](=O)[O-] 9493367 XHFLQVRHJYWTLC-UHFFFAOYSA-N 458.496 2.160 5 40 JEBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H](c3nc(O)c4nnn(Cc5ccccc5)c4n3)C2)c1 13083688 RVGGGXSWGCJTKY-INIZCTEOSA-N 495.521 2.452 5 40 JEBB O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccccc4)c3[nH]2)C1 1335018 KTFFMAZUZSIMGM-MRXNPFEDSA-N 459.466 2.491 5 40 JEBB COC(=O)c1ccc(N2CCN(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)c([N+](=O)[O-])c1 8873557 PXAXQBWGAQDTHH-UHFFFAOYSA-N 455.427 2.066 5 40 JEBB O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1nnc(-c2ccccc2)o1 13102670 MDKYKHAEAAJTMN-UHFFFAOYSA-N 459.802 2.210 5 40 JEBB COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(C[C@@H]3CCCO3)c2=N)cc1 100758779 NHANKPYHANHANT-IBGZPJMESA-N 473.533 2.289 5 40 JEBB biogenic CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])o1 408729915 FCDHDNAUMWUWPT-QWSHFYNQSA-N 484.446 2.317 5 40 JEBB COC(=O)c1ccc(OC(=O)C[S@@](=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 6023478 FJZHBRFSFMOZGR-HKBQPEDESA-N 495.409 2.388 5 40 JEBB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)c1 408663667 BASLINVCMPPKQB-CYBMUJFWSA-N 473.438 2.155 5 40 JEBB N=c1c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1 2400648 VRPUPAQJGXZCNY-HNNXBMFYSA-N 454.483 2.280 5 40 JEBB CNS(=O)(=O)c1ccc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 3044956 HJJXZUNIYAFGTD-UHFFFAOYSA-N 456.392 2.365 5 40 JEBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1C 15331221 SHHYVBRMMGFSEG-UHFFFAOYSA-N 453.542 2.048 5 40 JEBB O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 40051315 BBMWTOOTIXKGOY-HNNXBMFYSA-N 478.427 2.393 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)CC1=O 408667693 JNIWFLFZEAHKNF-HNNXBMFYSA-N 455.423 2.341 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1ccc(F)cc1 31937341 OGAZYMUGSJZCJM-MEFGMAGPSA-N 464.453 2.353 5 40 JEBB CCOc1ccccc1N1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1 9016041 JBVVXWAVCWZCOC-NRFANRHFSA-N 493.520 2.282 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1 9311945 KNNSJRMLLRFBFY-MXEMCNAFSA-N 474.429 2.117 5 40 JEBB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 9980846 ZOBKMAJXRJGAOU-GFCCVEGCSA-N 455.876 2.487 5 40 JEBB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)c1 12523356 RRWWHHWCXJSGPC-UHFFFAOYSA-N 484.509 2.268 5 40 JEBB O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 20616817 GMFAQYVZBPZGEK-UHFFFAOYSA-N 451.483 2.117 5 40 JEBB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1cccc([N+](=O)[O-])c1 408658856 JAMNKUHZJLUKBU-XJWJWMFXSA-N 489.484 2.495 5 40 JEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12648192 KGXIIOSZVMBEHT-HNNXBMFYSA-N 480.518 2.466 5 40 JEBB CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](Oc2ccc3c(c2)oc(=O)c2ccccc23)[C@@H]1OC(C)=O 11866704 MCDYDHFPVZNBMW-GBAAUQCPSA-N 470.430 2.476 5 40 JEBB COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(C[C@H]3CCCO3)c2=N)cc1 12862563 NHANKPYHANHANT-LJQANCHMSA-N 473.533 2.289 5 40 JEBB biogenic COCCCn1c(=N)c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c(=O)n3ccccc3nc21 100754256 YGWGXYAVIBTFHK-UHFFFAOYSA-N 491.548 2.155 5 40 JEBB biogenic COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 9382012 SJEDRTKYAUZSPM-UHFFFAOYSA-N 466.479 2.444 5 40 JEBB Nc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 9518061 JRKCCCFMIMFTFV-UHFFFAOYSA-N 458.431 2.383 5 40 JEBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1C 24682901 ULDXOSSBGYRXKM-UHFFFAOYSA-N 489.481 2.279 5 40 JEBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224431606 JJQVPOVNPYRJHP-UHFFFAOYSA-N 495.579 2.044 5 40 JEBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)c(C)c1 9982388 LJMPBURSHIUFPN-CSKARUKUSA-N 487.534 2.301 5 40 JEBB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 102954724 DBPJCUWAGYWSOA-GASCZTMLSA-N 490.519 2.164 5 40 JEBB Cc1c(N2C(=O)[C@@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cccc1[N+](=O)[O-] 9329133 QJYFDCKLGAXMGP-CROMWVBPSA-N 450.426 2.474 5 40 JEBB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 12619142 DZRFQWCMMNIUFN-UHFFFAOYSA-N 486.300 2.403 5 40 JEBB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)cc1 39969244 SHQCAGHZNTYBKG-UHFFFAOYSA-N 488.522 2.159 5 40 JEBB CCOC(=O)C1=C(C)N=C(NN)N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732751 YHPOFWSADPMGEJ-HXUWFJFHSA-N 455.471 2.483 5 40 JEBB CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)ccc1C 8824283 XFACNMDOFKXOTG-UHFFFAOYSA-N 474.495 2.168 5 40 JEBB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 12541570 XCELRMWUMKIRJX-SFHVURJKSA-N 453.448 2.219 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 19597253 XIQYDWZTBARHDK-UHFFFAOYSA-N 461.496 2.211 5 40 JEBB CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 106615464 KBQPSGKFNMTNMP-DNVCBOLYSA-N 460.487 2.041 5 40 JEBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)cc1C 2636037 PDWBJWLCRYUZSA-UHFFFAOYSA-N 494.957 2.128 5 40 JEBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 5981463 RSGWBCPCDWVGHB-CYBMUJFWSA-N 464.500 2.468 5 40 JEBB Cn1c(=O)c2c(SCC(=O)Nc3ccc(F)cc3)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O 9411416 ATTVRAWNHHMINU-UHFFFAOYSA-N 496.480 2.472 5 40 JEBB O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1ccc(OC(F)F)cc1 21849170 FWPLWCKLFUSOLC-UHFFFAOYSA-N 470.454 2.141 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(CN2CCCC2)cc1)S(C)(=O)=O 44871559 LOIWYJVHMKDWRY-UHFFFAOYSA-N 476.555 2.282 5 40 JEBB COc1cc2c(cc1OC)C(C[C@H](c1ccccc1[N+](=O)[O-])c1c(O)n(C)c(=O)n(C)c1=O)=NCC2 9331159 ULJTTXQHUDMHBD-QGZVFWFLSA-N 494.504 2.282 5 40 JEBB O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9508874 AMKRAZDIFKCKJG-UHFFFAOYSA-N 477.543 2.224 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc([N+](=O)[O-])o3)c2=O)=N[C@H]1c1ccc(OC)cc1 408732296 TZWLEXGICVDXTJ-SKTWIKFTSA-N 469.475 2.417 5 40 JEBB O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccc(I)cn1 16429258 ALMJBLWESYXCOE-UHFFFAOYSA-N 458.237 2.486 5 40 JEBB Cn1c(=O)c2c(SCC(=O)N3CCCCCC3)nc(-c3cccc([N+](=O)[O-])c3)nc2n(C)c1=O 9517609 ULENTECWZCJHHB-UHFFFAOYSA-N 484.538 2.097 5 40 JEBB C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)NC[C@@H]1CCCO1 9493734 AHJDWCACIMMABG-KDOFPFPSSA-N 477.495 2.236 5 40 JEBB COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cc([N+](=O)[O-])ccc21 100872678 ZEDYVTQNPATOCR-VXPUYCOJSA-N 464.525 2.249 5 40 JEBB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 408573059 LLVSBFARPKDMAR-UHFFFAOYSA-N 483.525 2.222 5 40 JEBB O=C(COC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)c1cccc([N+](=O)[O-])c1 3378918 MFXWUADHJWZHLS-VGSWGCGISA-N 487.465 2.124 5 40 JEBB C[C@@H](NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(Br)o1)C(=O)O 17143528 LLTZBKNMLNPHON-ZPBHHCQCSA-N 452.217 2.311 5 40 JEBB O=C(c1cncn1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 12559804 ZBDLXYKFHAEUOE-UHFFFAOYSA-N 459.459 2.066 5 40 JEBB CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 22061474 CJWWZUQTCPFLKR-DOHCRASPSA-N 479.580 2.456 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1cccs1 31937348 QJHGXZGACZQBMK-CLCOLTQESA-N 452.492 2.275 5 40 JEBB CCN(Cc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 36386275 DOZXIWSJWMVMBN-UHFFFAOYSA-N 476.555 2.329 5 40 JEBB COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3Cl)CC2)cc1[N+](=O)[O-] 89466081 RXYQMUKWFDGWHQ-UHFFFAOYSA-N 469.903 2.169 5 40 JEBB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc21 9891356 WGQPVPFKCVUSLH-UHFFFAOYSA-N 465.388 2.479 5 40 JEBB O=C(CCC(=O)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc([N+](=O)[O-])cc1 20457420 KXQNWDDYFWJIHC-UHFFFAOYSA-N 472.362 2.004 5 40 JEBB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)cc1 40399922 SOXWSLYWPAZAQP-HNNXBMFYSA-N 450.411 2.495 5 40 JEBB CNc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 9635605 MPYKQVMPWMNEGR-NSHDSACASA-N 470.891 2.139 5 40 JEBB O=C(NCCn1ncc2c(=O)n(Cc3cccc([N+](=O)[O-])c3)cnc21)c1ccc(F)c(F)c1 12071855 MAQCQOKCMACWMX-UHFFFAOYSA-N 454.393 2.258 5 40 JEBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] 3329265 IPMAPQJSBFOLQZ-UHFFFAOYSA-N 457.804 2.355 5 40 JEBB O=C(NN1C(=O)c2ccccc2C1=O)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 8442857 RSDGOWWLLUDVRZ-UHFFFAOYSA-N 456.370 2.336 5 40 JEBB O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 36321652 UZSGIVYVNMBHFO-UHFFFAOYSA-N 456.883 2.332 5 40 JEBB O=C(NCCNc1ccccc1[N+](=O)[O-])N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9335833 SMIPZTMWCVSVPC-UHFFFAOYSA-N 465.507 2.252 5 40 JEBB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 9882472 YQEIRDSOKTZQOP-GFCCVEGCSA-N 455.876 2.405 5 40 JEBB COC(=O)C1=C(C)NC(C)=C(C(=O)OCCNC(=O)c2cccnc2)[C@H]1c1ccccc1[N+](=O)[O-] 19923970 QMJYKEPACXDQLH-NRFANRHFSA-N 480.477 2.371 5 40 JEBB O=C(Cc1ccccc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 33697387 ZGCRUVZRHOQBJS-UHFFFAOYSA-N 469.567 2.197 5 40 JEBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1[N+](=O)[O-] 139114882 JYGNTQWFQPYBAC-CYBMUJFWSA-N 474.857 2.232 5 40 JEBB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 408668564 MCMVLQYFVHWWNY-HNNXBMFYSA-N 455.423 2.306 5 40 JEBB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 3341993 WXVKYIDQYLOFFT-UHFFFAOYSA-N 455.876 2.359 5 40 JEBB O=C(NCc1nc(-c2ccccc2)no1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9698583 QRDSYSSPVGZRNU-UHFFFAOYSA-N 471.495 2.362 5 40 JEBB COc1cc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c([N+](=O)[O-])cc1OC 11449695 LWCHRUYPRIAKMT-UHFFFAOYSA-N 455.514 2.257 5 40 JEBB CCOC(=O)C1=C(COC(=O)c2cc([N+](=O)[O-])ccc2NCCOC)NC(=O)N[C@H]1c1ccco1 19356192 LPZZFNJRKAFNAJ-IBGZPJMESA-N 488.453 2.274 5 40 JEBB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225689178 ORIGJHDJPSMCOU-GOSISDBHSA-N 490.582 2.345 5 40 JEBB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4nccc4C)cc3)CC2)cc1[N+](=O)[O-] 13007327 XKIRPYGZYVQWDW-UHFFFAOYSA-N 485.522 2.244 5 40 JEBB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 224429043 XJGUWFBZHXUFGA-UHFFFAOYSA-N 469.903 2.078 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccc(F)cc1)S(C)(=O)=O 224832384 HOBKXDIHRZJEEX-UHFFFAOYSA-N 469.491 2.484 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)CCC3=O)cc2)CC1=O 408674053 YGUKHVTXIDKDQC-CYBMUJFWSA-N 453.407 2.215 5 40 JEBB CN(CC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)S(=O)(=O)c1ccc(Cl)cc1 3321439 IAVSJFGXPMHPHM-UHFFFAOYSA-N 456.860 2.479 5 40 JEBB COC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1ccccc1 17243156 UOORXCGPQRPNKZ-GTENMVSRSA-N 451.460 2.022 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1cccc([N+](=O)[O-])c1 20675015 OXUDMFKBWHMRHZ-RTWAWAEBSA-N 465.510 2.119 5 40 JEBB CC(=O)N1CCc2cc(Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[N+](=O)[O-])ccc21 22803321 RQHTYNNOFFGEMN-UHFFFAOYSA-N 459.528 2.184 5 40 JEBB CCOCCCn1/c(=N\C(=O)c2ccncc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101122897 NKNRMTIRHNXLMT-SLMZUGIISA-N 475.505 2.389 5 40 JEBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1OC 253487670 NVZSQWMQUAEVAT-DVWBAYGPSA-N 476.445 2.209 5 40 JEBB COC(=O)C[C@@H](c1cc2c(cc1[N+](=O)[O-])OCO2)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604419494 AUNSUUGRTINKEJ-HNNXBMFYSA-N 470.438 2.160 5 40 JEBB COc1cccc(OC)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 4125269 RUKPAEJUZWUUOC-UHFFFAOYSA-N 456.499 2.411 5 40 JEBB COc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)CC2)cc1 12554160 ARXQIWRXIMZRFS-UHFFFAOYSA-N 490.582 2.337 5 40 JEBB CCOC(=O)c1sc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)nc1C 14274418 PPWGDHGZLGJQKI-UHFFFAOYSA-N 479.540 2.500 5 40 JEBB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223082615 ZDPNDHVJLKFZPD-HXUWFJFHSA-N 476.555 2.223 5 40 JEBB O=C(COC(=O)CNC(=O)c1ccc([N+](=O)[O-])o1)Nc1ncc(C(F)(F)F)cc1Cl 9582440 XTOKGKGJIVPASD-UHFFFAOYSA-N 450.713 2.167 5 40 JEBB COc1ccccc1N1CCN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)CC1 10315360 LSRLJVWYOREZAV-UHFFFAOYSA-N 462.528 2.027 5 40 JEBB COc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2)n1C 409135946 REWWPZJYTGVMRD-UHFFFAOYSA-N 456.484 2.393 5 40 JEBB COc1cc(C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c([N+](=O)[O-])cc1OC 9128602 UUVATMKEPHBDRS-MDWZMJQESA-N 461.496 2.371 5 40 JEBB Nc1c(C(=O)NCCCN2CCOCC2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 32611761 BPOGQXNLKQQPRH-UHFFFAOYSA-N 451.483 2.113 5 40 JEBB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21)Nc1ccccc1[N+](=O)[O-] 100961901 JLRZGEQAKHTQHR-JKSUJKDBSA-N 473.243 2.289 5 40 JEBB COc1ccccc1OCCNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224819990 SEBNUEPITPPYCQ-UHFFFAOYSA-N 451.501 2.345 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3N=CC=C[C@@H]3[C@@H]2C1=O 2254984 NDUQKTWFNDNHNA-NMLACTOBSA-N 491.416 2.109 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1ccco1 9634431 WVFUVUXVSRGKHE-UZGAPFOWSA-N 462.462 2.339 5 40 JEBB C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 12805500 BQNSNAZQCKGOJH-KBPBESRZSA-N 455.423 2.289 5 40 JEBB COC(CN1CC(=O)N2[C@@H](c3ccc([N+](=O)[O-])cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O)OC 15955986 AWPUNSMXKSJZMR-XXBNENTESA-N 464.478 2.380 5 40 JEBB biogenic O=C(c1ccc([N+](=O)[O-])o1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 12883711 RYTYXNYJRGLCLN-UHFFFAOYSA-N 450.292 2.159 5 40 JEBB Cc1ccc(S(=O)(=O)NCCCc2c(C)nc(N)n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 17039680 LMNXFNGSBOZSNP-UHFFFAOYSA-N 471.539 2.310 5 40 JEBB COc1cc(NC(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c(C)cc1[N+](=O)[O-] 9612401 PWLNSYVSEPXGNX-UHFFFAOYSA-N 457.848 2.008 5 40 JEBB Cn1c(=O)c2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc(C3CCCC3)nc2n(C)c1=O 9517444 JNFVNTFJOVGFKW-UHFFFAOYSA-N 470.511 2.324 5 40 JEBB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Br)cc1 13856675 KWJLOQVZVRFLPC-CQSZACIVSA-N 490.266 2.277 5 40 JEBB CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286279 UYIXVYIEIQHOSD-IBGZPJMESA-N 460.487 2.041 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCN(c2cccc(C)c2C)CC1)S(C)(=O)=O 408611301 SZQONZKFNPRUBY-UHFFFAOYSA-N 476.555 2.335 5 40 JEBB O=C(O)c1ccccc1NS(=O)(=O)c1ccc(NNC(=S)NC[C@H]2CCCO2)c([N+](=O)[O-])c1 9631562 DQRVVVNHKFTPEU-GFCCVEGCSA-N 495.539 2.064 5 40 JEBB CC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1 20969404 CMRYMKGZDVWXKQ-UHFFFAOYSA-N 453.499 2.352 5 40 JEBB CCOC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2cc([N+](=O)[O-])ccc2O)[C@H]1C(=O)OCC 90444889 UJBMHTQZNUGEQA-BZPMIXESSA-N 454.482 2.399 5 40 JEBB O=C(COc1ccccc1[N+](=O)[O-])N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 108928257 WPZKMGXHSIAGMB-UHFFFAOYSA-N 471.470 2.067 5 40 JEBB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc([N+](=O)[O-])ccc1F 2662276 ZEQDNXFDEDKIJJ-UHFFFAOYSA-N 451.432 2.314 5 40 JEBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C 3451195 NOYRPMDJRBPEFC-UHFFFAOYSA-N 497.493 2.190 5 40 JEBB O=[N+]([O-])c1cccc(S(=O)(=O)NCCCCCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 19074926 ASRFGTUXURNYHS-UHFFFAOYSA-N 486.528 2.320 5 40 JEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 9357544 YDSDGRPYRSJFHX-KEXUJGGDSA-N 450.426 2.474 5 40 JEBB COC(CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O)OC 15955987 AWPUNSMXKSJZMR-AUSIDOKSSA-N 464.478 2.380 5 40 JEBB biogenic COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)S(C)(=O)=O 222678679 XSMHNFSMLXBUCF-ZDUSSCGKSA-N 465.484 2.018 5 40 JEBB Cn1c(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)nnc1-c1ccccc1 408542561 JQIRQJNZZCPQMN-UHFFFAOYSA-N 453.484 2.312 5 40 JEBB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccccc1C(F)(F)F 408658333 QYHYDXRTFCGOAY-CYBMUJFWSA-N 494.382 2.289 5 40 JEBB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 9884289 AOOOJHBMJYIUSP-NSHDSACASA-N 498.901 2.055 5 40 JEBB O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14276289 BSRQZETWHCMMRE-UHFFFAOYSA-N 485.566 2.390 5 40 JEBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)/C=C\C=C\OC 195534995 UYPVFKVFAQWUEH-XGYZGXMDSA-N 492.532 2.457 5 40 JEBB O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 12812076 JZOUVDVPETZUBL-UHFFFAOYSA-N 453.904 2.340 5 40 JEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)c1 408652753 CVCANUUGMRXGOT-CYBMUJFWSA-N 473.438 2.155 5 40 JEBB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 408670951 XTXMHGQXSGFDIT-HNNXBMFYSA-N 455.423 2.306 5 40 JEBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@@H]2[C@H](C)O1 9429289 ZCMOZOPBXLRFNM-MIJFPBIKSA-N 464.478 2.398 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16000420 VFSOXSCPZBQZCA-HZNUMKHLSA-N 466.425 2.174 5 40 JEBB CC1(C)OC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@H]32)C(=O)O1 36329184 GTAUJYFRAAPZBF-NRFANRHFSA-N 495.488 2.393 5 40 JEBB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 13001319 NXHHHYQXYZNDRE-UHFFFAOYSA-N 481.465 2.027 5 40 JEBB Cc1ccccc1CN1CCN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 23847100 AOMVZTPLZDCOBR-UHFFFAOYSA-N 482.537 2.241 5 40 JEBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1cccnc1 101034123 GYPYMLWOKJUWOX-SLMZUGIISA-N 475.505 2.307 5 40 JEBB Cn1nnnc1Sc1ccc(C(=O)OCC(=O)NCCCc2ccccc2)cc1[N+](=O)[O-] 2628826 ARRUIMWXFKNTGY-UHFFFAOYSA-N 456.484 2.175 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1cccs1 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O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ncc([N+](=O)[O-])s1 8893207 SBYXZQUXWIXBQB-UHFFFAOYSA-N 454.486 2.021 5 40 JEBB C[C@@H](OC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9511208 LRXXSQFMWIBHJA-ZWIJEDICSA-N 489.506 2.199 5 40 JEBB Cc1nn(Cc2ccc(C(=O)N3CCN(c4nnnn4-c4ccccc4)CC3)cc2)c(C)c1[N+](=O)[O-] 40072500 BMTPRQMRWHATLM-UHFFFAOYSA-N 487.524 2.395 5 40 JEBB CN1CCN(S(=O)(=O)c2ccc(Nc3cccc(CN4CCOCC4)c3)c([N+](=O)[O-])c2)CC1 58055037 ULVOVUDZVQBWKQ-UHFFFAOYSA-N 475.571 2.107 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 103555171 VQZWMAZCMCEOKZ-YRAONVGVSA-N 466.425 2.174 5 40 JEBB O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@H]1C=C[C@@]2(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])O1 245380442 ZGOAXPXRXHEUGY-MOXWOTFGSA-N 450.407 2.424 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c([N+](=O)[O-])c1 12540305 MUYGVDGTBLPADS-UHFFFAOYSA-N 496.567 2.292 5 40 JEBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)NCCN2C(=O)CSC2=O)n1 12541933 KDCTYDXVFCNJMT-UHFFFAOYSA-N 496.548 2.479 5 40 JEBB O=C(NCc1cccs1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 9512020 JPPSKLCMNXURPP-UHFFFAOYSA-N 494.595 2.210 5 40 JEBB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1nc2ccc(Cl)cc2n1CCO 9520603 VKCDOAIUWASSPL-UHFFFAOYSA-N 472.841 2.320 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)c([N+](=O)[O-])c1 18040660 QJBHZZPKWYUBIB-UHFFFAOYSA-N 486.554 2.464 5 40 JEBB O=C(NC1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1)c1ccccc1 24894089 XGAOFQLEMZSDAQ-UHFFFAOYSA-N 474.539 2.015 5 40 JEBB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O 888089157 LXZZYFXAGSOWQJ-CABCVRRESA-N 477.473 2.376 5 40 JEBB O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20154308 MZKDAZLJTGCOFG-UHFFFAOYSA-N 456.459 2.002 5 40 JEBB CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 23993059 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COc1ccc(OC)c([C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 224259873 GIAKHPWULHBVAB-ZDUSSCGKSA-N 467.500 2.264 5 40 JEBB CC(=O)OCCOCCNc1ccc(S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 8404565 NBJDGOOUVCQKQD-UHFFFAOYSA-N 453.429 2.327 5 40 JEBB CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc2c(c1)OCCO2 71844101 XUEOMLSSZBEFAW-UHFFFAOYSA-N 475.523 2.177 5 40 JEBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 103524880 ZVFROKXNWICPMR-NCXUSEDFSA-N 461.390 2.100 5 40 JEBB CC[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224580972 FNEYORGUGJBGTQ-QFIPXVFZSA-N 490.582 2.288 5 40 JEBB Cc1nc(N2CCc3ccccc3C2)ncc1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 585265745 RUZUOHSYYHONGO-UHFFFAOYSA-N 453.480 2.375 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)NC2CCCC2)CC1 8774798 ZLAKECWQYCWNAW-HNNXBMFYSA-N 467.544 2.294 5 40 JEBB COc1ccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 9335252 RLPXOCMWKAKWOV-UHFFFAOYSA-N 483.524 2.248 5 40 JEBB COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)cc1[N+](=O)[O-] 21580592 VSKRPHJRAJRTQN-OAHLLOKOSA-N 492.554 2.329 5 40 JEBB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20153298 CZSAVJUIXBTLGR-UHFFFAOYSA-N 460.468 2.265 5 40 JEBB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 2290169 BTIHQHWGAFWJGS-JCAJYURWSA-N 493.497 2.242 5 40 JEBB Cc1c(N2C(=O)[C@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cccc1[N+](=O)[O-] 9329132 QJYFDCKLGAXMGP-KEXUJGGDSA-N 450.426 2.474 5 40 JEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)ccc1Cl 9583172 KJWDRGOQVCGEAU-UHFFFAOYSA-N 451.935 2.005 5 40 JEBB Cc1cnc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)s1 9715356 IHOYXNZJDOXXAA-UHFFFAOYSA-N 495.583 2.236 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 248150718 VQZWMAZCMCEOKZ-OSJYTEGDSA-N 466.425 2.174 5 40 JEBB Cn1c(=O)c2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc(C(C)(C)C)nc2n(C)c1=O 9586840 NUHGLYUCHUQVEN-UHFFFAOYSA-N 473.511 2.392 5 40 JEBB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3C[C@@H]4C[C@@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)cc2O1 524730735 VGKNIIGOOSGYFA-KBPBESRZSA-N 483.477 2.231 5 40 JEBB biogenic O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 13072400 DBPJCUWAGYWSOA-HUUCEWRRSA-N 490.519 2.164 5 40 JEBB COC(=O)C1=NN[C@@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 16189690 SUGNKSZEZJKGFE-AUUYWEPGSA-N 463.233 2.419 5 40 JEBB O=C1[C@@H]2[C@H]3C=C[C@@](CNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])(O3)[C@@H]2C(=O)N1Cc1ccccc1 230516255 ZGOAXPXRXHEUGY-IWQHBPENSA-N 450.407 2.424 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc4c(c3)OCO4)c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])o1 408732054 ORUUGAASNQDFCO-VPEZWSJASA-N 483.458 2.137 5 40 JEBB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COc2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 12522160 IOTNYKOQCCUOLR-UHFFFAOYSA-N 496.545 2.198 5 40 JEBB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 16320869 COTCVXKSXGAKKA-UHFFFAOYSA-N 462.469 2.463 5 40 JEBB CN1CCN(c2cc3c(cc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n(C)c(=O)n3C)CC1 408527863 GPPPRFLKXIZUNQ-UHFFFAOYSA-N 458.906 2.443 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=CC=NN3[C@H](C(=O)c3ccc(F)cc3)[C@@H]2C1=O 9312430 PRZYYZUUSIPASJ-QLIIJSOBSA-N 464.409 2.339 5 40 JEBB CC1CCN(C(=O)[C@@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C(C)C)CC1 17355415 QNIBSJVLNBRGAB-FQEVSTJZSA-N 468.576 2.311 5 40 JEBB CC(C)C(=O)Nc1nnc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)s1 20486207 CTPAYYNJZPOFRY-UHFFFAOYSA-N 474.952 2.205 5 40 JEBB COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 8690220 RCCVNKXAIMADPU-OAQYLSRUSA-N 468.510 2.072 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)c([N+](=O)[O-])c1 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Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C=CC=NN3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 9329972 UBGFRGFUWFQAGY-NMLBUPMWSA-N 475.417 2.408 5 40 JEBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12 34847976 ZVFROKXNWICPMR-MKXGPGLRSA-N 461.390 2.100 5 40 JEBB COc1cc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 102889472 GJSJKSKMEGFCOS-ZBNTXBBCSA-N 464.478 2.493 5 40 JEBB COCCN(C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 32994520 KPEIMIADJYJKLL-UHFFFAOYSA-N 471.470 2.236 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3O)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409182320 JVCHYVCBUMNTEX-KEBMYNNESA-N 495.513 2.426 5 40 JEBB COC(=O)c1ccc(C[N+]2(C[C@@H](O)COC[C@@H]3COc4ccccc4O3)CCOCC2)cc1 3166969 BHCXXDAMIJFRJQ-FGZHOGPDSA-N 458.531 2.038 5 40 JEBB Cn1c(=O)c2c(SCC(=O)NCc3ccccc3)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O 9411444 ZLLYHVVWMXEEFK-UHFFFAOYSA-N 492.517 2.011 5 40 JEBB 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COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 9358434 PENSRQGJEMXDOL-SYSFZUQMSA-N 462.462 2.343 5 40 JEBB O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 15431516 VNCZAPZEZYUPAV-OAHLLOKOSA-N 465.915 2.332 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1cc(C)cc(C)c1)S(C)(=O)=O 224071049 DMZCDYRASVBMEF-UHFFFAOYSA-N 451.501 2.181 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 9634428 GLLHZTYWMTXMIZ-QLYXXIJNSA-N 491.460 2.122 5 40 JEBB CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cccc(S(N)(=O)=O)c1 16046149 BIBLHHALDSWXNY-INIZCTEOSA-N 454.892 2.289 5 40 JEBB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 40012115 MRYNSNGWUCAMFA-UHFFFAOYSA-N 457.575 2.358 5 40 JEBB COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1OC 25202180 PRTZRLYAODAGSW-UHFFFAOYSA-N 456.499 2.076 5 40 JEBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=CC=NN2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)cc1 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CCOCCCn1c(=N)c(C(=O)NCc2ccc(OC)cc2)cc2c(=O)n3ccccc3nc21 101154637 KMNGFWZGJVWUOM-UHFFFAOYSA-N 461.522 2.494 5 40 JEBB Cc1cccn2c(=O)c3cc(C(=O)N[C@H](C)c4ccccc4)c(=N)n(CCN4CCOCC4)c3nc12 2696017 DXSZENUIGCAFOY-LJQANCHMSA-N 486.576 2.260 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc([N+](=O)[O-])o3)c2=O)=N[C@H]1c1ccc(O)c(OC)c1 408731466 MYGXQOMUYYYAEJ-XLCPLWEUSA-N 485.474 2.123 5 40 JEBB CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cc(C)ccc2C)cc1[N+](=O)[O-] 9441871 CSQFWWHIBOPNKN-UHFFFAOYSA-N 467.525 2.394 5 40 JEBB CC(=O)N1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 10078303 KQBWRCGPHGAYDG-UHFFFAOYSA-N 453.499 2.352 5 40 JEBB CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1 12416767 COZVZLVOMBYYJR-PGRDOPGGSA-N 469.885 2.194 5 40 JEBB CCCOc1ccc(Cc2nn3c(=O)/c(=C\c4ccc([N+](=O)[O-])cc4)sc3nc2=O)cc1 26779363 GOXDULFBZYNDEX-CPNJWEJPSA-N 450.476 2.347 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cc(OC)c(OC)c(OC)c1 31936960 YBNZTXBQGYOIPX-QYQHSDTDSA-N 492.488 2.130 5 40 JEBB COc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2ccc(Cl)s2)cc1[N+](=O)[O-] 9127936 VMVQJQGGZNJVQY-UHFFFAOYSA-N 462.889 2.413 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 9411169 UKIMYBMMSAINOY-QJHDXQOESA-N 462.462 2.343 5 40 JEBB CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 9666122 NRSZTOHBBMHKSS-UHFFFAOYSA-N 489.462 2.173 5 40 JEBB Cc1c(C(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cccc1[N+](=O)[O-] 10256470 YDHMEGJCLVYNMN-UHFFFAOYSA-N 458.482 2.449 5 40 JEBB CS(=O)(=O)Oc1cc(I)c([N+](=O)[O-])cc1I 4692003 HPXTYPALWOGDII-UHFFFAOYSA-N 468.994 2.142 5 40 JEBB O=C(CCCNc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12597928 WKSIQQWSPCTCGS-UHFFFAOYSA-N 490.538 2.091 5 40 JEBB COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22568945 SATLNHVNEBIJTJ-UHFFFAOYSA-N 461.456 2.475 5 40 JEBB COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3ccccc3F)CC2)cc1[N+](=O)[O-] 32843810 KMIOYXPOICCHMV-UHFFFAOYSA-N 466.491 2.001 5 40 JEBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])C1=O 409236680 TUIGTWRRROKVSZ-RIYZIHGNSA-N 456.411 2.152 5 40 JEBB CC1CCN(S(=O)(=O)c2ccc(NCc3cccc(S(N)(=O)=O)c3)c([N+](=O)[O-])c2)CC1 24658847 BZCNCSVEGHIRST-UHFFFAOYSA-N 468.557 2.275 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1ccc(F)c(F)c1 31937391 OKSLCMLBMVQZKE-HFTWOUSFSA-N 482.443 2.492 5 40 JEBB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c(OC)c1 408669164 MXVKLVOPQBKSAW-CQSZACIVSA-N 457.439 2.455 5 40 JEBB COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCC[C@@H]43)C2=O)cc1OC 8974520 XXMOFHNHUMANIH-PXDATVDWSA-N 494.504 2.444 5 40 JEBB COc1cc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1OC 19889991 DWSRTYQFUSHICH-UHFFFAOYSA-N 451.501 2.127 5 40 JEBB O=c1c2ccc3c(=O)n(CCN4CCCCC4)c(=O)c4ccc(c(=O)n1CCN1CCCCC1)c2c34 59484441 QYFDCDPSWGAUOU-UHFFFAOYSA-N 488.588 2.037 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 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COc1cc(SC)ccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 14228427 LRFVDVCBXOUJNE-UHFFFAOYSA-N 451.526 2.472 5 40 JEBB O=C(COc1ccccc1[N+](=O)[O-])NC(=S)Nc1ccc(I)cn1 16450529 FAYNUADACZGELQ-UHFFFAOYSA-N 458.237 2.486 5 40 JEBB O=C(OCC(=O)N1CCCc2cc([N+](=O)[O-])ccc21)c1cccnc1S(=O)(=O)C(F)(F)F 62590052 OGVMIWIKGNXLJM-UHFFFAOYSA-N 473.385 2.420 5 40 JEBB O=C(NCCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc([N+](=O)[O-])cc1 58168522 UHVPLILGRZRPRM-UHFFFAOYSA-N 457.447 2.474 5 40 JEBB Cc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1S(=O)(=O)N1CCOCC1 9662765 YATMZYLNSGIZHU-UHFFFAOYSA-N 497.913 2.373 5 40 JEBB O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20154298 ARKCCGHTVPGWGC-UHFFFAOYSA-N 456.459 2.002 5 40 JEBB CS(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 408628684 ZZSJLWVGCLWKFQ-RMKNXTFCSA-N 458.540 2.218 5 40 JEBB CNc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC(=O)c2cccn2C)cc1[N+](=O)[O-] 9224310 FZIIJIOVQDCRGX-UHFFFAOYSA-N 464.434 2.319 5 40 JEBB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 31065380 FHBLHVAIHPXRRC-CQSZACIVSA-N 457.439 2.455 5 40 JEBB Cc1nc(N(C)CCc2ccccc2)ncc1C(=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 257233832 GQXSBKWILUTWBD-UHFFFAOYSA-N 455.496 2.491 5 40 JEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704612 QNUDUJVDFRRZGE-LBPRGKRZSA-N 451.457 2.168 5 40 JEBB O=C(Oc1ccccc1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 9120804 FBLMILBUWWFOBL-UHFFFAOYSA-N 475.523 2.438 5 40 JEBB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccc(Cl)cc4C3)CC2)cc1[N+](=O)[O-] 16061438 OJVYKXQGSQTWEC-HNNXBMFYSA-N 495.941 2.341 5 40 JEBB CCCN1CCC(C(=O)N2CCN(c3ccc(S(=O)(=O)N(CC)CC)cc3[N+](=O)[O-])CC2)CC1 48333364 DMCSOEKLUZTTDU-UHFFFAOYSA-N 495.646 2.396 5 40 JEBB CCN(CC)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 8646830 JHCBGYUSACCAOJ-HSZRJFAPSA-N 467.482 2.483 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(F)cc1)N1N=CC=C[C@H]21 9312431 PRZYYZUUSIPASJ-XLNTUCKNSA-N 464.409 2.339 5 40 JEBB Cc1cccc(N2CCN3c4ccc([N+](=O)[O-])cc4CC4(C(=O)N(C)C(=O)N(C)C4=O)[C@@H]3C2)c1C 9089912 CNENLEOVPPNNDF-NRFANRHFSA-N 477.521 2.500 5 40 JEBB O=C(NCCCn1ccnc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@H](Cn4c3cccc4=O)[C@@H]12 1547138174 AFMLLGRNRSHERQ-FQCWUYQVSA-N 488.548 2.324 5 40 JEBB CCC(=O)N[C@@](Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)(C(=O)OC)C(F)(F)F 2050401 VYWVXPWBNRZHOT-OAHLLOKOSA-N 496.445 2.254 5 40 JEBB COCCCn1c(C)cc(C(=O)COC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1C 9128381 NFEFQMKXABJYOC-UHFFFAOYSA-N 471.466 2.462 5 40 JEBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 16038969 ZVFROKXNWICPMR-AKHDSKFASA-N 461.390 2.100 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@@H]3C=CC=NN32)cc1 229861166 IPINFAOGAXNGBR-BQJUDKOJSA-N 474.429 2.117 5 40 JEBB O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(S(=O)(=O)CCO)cc1 3044954 RHSFWOWDRRZSDS-UHFFFAOYSA-N 471.403 2.223 5 40 JEBB CN(C)S(=O)(=O)c1cc(NC(=O)c2ccc(Sc3nnnn3C)c([N+](=O)[O-])c2)ccc1Cl 9630847 IMVCWZJAECFQEC-UHFFFAOYSA-N 497.946 2.426 5 40 JEBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 20801308 ZRAMEGMSDFBKQO-NHCUHLMSSA-N 481.509 2.132 5 40 JEBB COC(CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1cc(C)cc(C)c1)C2=O)OC 9216101 SOJWUHWEZAIKSK-DEOSSOPVSA-N 482.493 2.462 5 40 JEBB COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(c1ccc(Cl)cc1)C2=O)OC 9451219 OVICNQIKCAQRQL-JOCHJYFZSA-N 488.884 2.499 5 40 JEBB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 9510095 ZBPQVDDHYOEHIS-UHFFFAOYSA-N 462.513 2.377 5 40 JEBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21 35419834 CYAYEQKWETZYTR-MTXNFPGFSA-N 462.462 2.343 5 40 JEBB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 12690938 MHERAZFLEKHBKQ-GFCCVEGCSA-N 455.876 2.487 5 40 JEBB O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22743011 CKIQQPLEZHYIOT-UHFFFAOYSA-N 485.566 2.390 5 40 JEBB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 408603821 GDVCDFVGNHBXSS-UHFFFAOYSA-N 478.527 2.490 5 40 JEBB COC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2C)c1 409124212 ABCRPDWELRMRPG-UHFFFAOYSA-N 484.494 2.171 5 40 JEBB O=C(NCCn1ncc2c(=O)n(Cc3ccc([N+](=O)[O-])cc3)cnc21)c1ccc(F)c(F)c1 12071986 WJLDKQKMXQXLLW-UHFFFAOYSA-N 454.393 2.258 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 15163171 LPOFZFHOQVUWMQ-KDMTZKAISA-N 499.501 2.317 5 40 JEBB COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 408652133 FJPUHBKQVFXMFF-HNNXBMFYSA-N 455.423 2.225 5 40 JEBB CS(=O)(=O)c1ccc(CC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 9596932 GSLBMCWPENZTQT-UHFFFAOYSA-N 481.533 2.469 5 40 JEBB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222381661 LTIOVOHDHAMOOP-KRWDZBQOSA-N 476.555 2.141 5 40 JEBB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 408658854 JAMNKUHZJLUKBU-QXUYJFJKSA-N 489.484 2.495 5 40 JEBB O=C(c1ccc(N2CCCCC2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 8941856 BBUHSXKPPYFZLR-UHFFFAOYSA-N 472.523 2.258 5 40 JEBB COc1cc(C(=O)NCC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC 9120393 XKOBMZKZMWWRFG-UHFFFAOYSA-N 472.410 2.144 5 40 JEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3C=CC=NN3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 104043148 UBGFRGFUWFQAGY-HAGHYFMRSA-N 475.417 2.408 5 40 JEBB CN(C)CCNS(=O)(=O)c1ccc(N(C)Cc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 15140781 YIWQEJCIYMMGQE-UHFFFAOYSA-N 458.544 2.257 5 40 JEBB CC(C)c1ccccc1OC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 23388258 HCGVKNIPTAUHLS-IBGZPJMESA-N 463.556 2.464 5 40 JEBB O=C1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2c(nc(N3CCc4ccccc4C3)[nH]c2=O)N1 40390675 YEUODQXSACZNHW-KRWDZBQOSA-N 460.450 2.305 5 40 JEBB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 20675036 NJZJNBQDRBKWGL-VQTJNVASSA-N 451.483 2.123 5 40 JEBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCC[C@@H](N4CCNC4=O)C3)c([N+](=O)[O-])c2)C1 195529597 HUSPHSLBVYVQQC-HZPDHXFCSA-N 451.549 2.009 5 40 JEBB Cc1nc(N(C)CCc2ccccc2)ncc1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 585265937 YQQNBAIAKAJWRG-UHFFFAOYSA-N 455.496 2.491 5 40 JEBB CC(=O)OCCCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc21 16732602 PIWXIXGDEZKCQC-UHFFFAOYSA-N 459.506 2.054 5 40 JEBB COC(=O)c1cn(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c2ccccc12 222591274 XFHORHWTMVKZCF-UHFFFAOYSA-N 461.452 2.451 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O 260947435 VOGHSFZQDCIICK-HUUCEWRRSA-N 483.568 2.339 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 8724885 IKOINTJKZJJDKC-GOSISDBHSA-N 475.523 2.260 5 40 JEBB CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N(CCc4ccccc4)C(=O)N=C3O)[C@@H]2C1 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O=C(NCCn1ncc2c(=O)n(Cc3cccc([N+](=O)[O-])c3)cnc21)c1ccc(Br)o1 12071914 IEXZVRNOVZJODE-UHFFFAOYSA-N 487.270 2.335 5 40 JEBB COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3Cc4cc(Cl)ccc4O3)CC2)cc1[N+](=O)[O-] 12856083 PBNCUTODTKXQPS-IBGZPJMESA-N 481.914 2.093 5 40 JEBB CC1CCN(C(=O)[C@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C(C)C)CC1 57679767 QNIBSJVLNBRGAB-HXUWFJFHSA-N 468.576 2.311 5 40 JEBB O=C(NCCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1)Nc1cccc([N+](=O)[O-])c1 4722864 FRRZCXOOBLVXBT-UHFFFAOYSA-N 457.447 2.474 5 40 JEBB O=C(c1ccc(N2CCCCC2=O)cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 8756816 GGEBBOSURONMIG-UHFFFAOYSA-N 472.523 2.258 5 40 JEBB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]2C)cc1 13632982 RVZZYUCDEPJFNH-CYBMUJFWSA-N 463.472 2.361 5 40 JEBB O=C(c1cnn(-c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1)c1cc(Cl)ccc1O 9128165 JJYNFDNGCXPSAI-UHFFFAOYSA-N 492.897 2.391 5 40 JEBB C[C@@H]1CC(=O)[C@H](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)[C@@H]1C[N+](=O)[O-] 12795015 XGOFFLUEGCVONF-RBSFLKMASA-N 491.488 2.046 5 40 JEBB O=C(C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1CCN(Cc2ccccc2)CC1 13563298 JAFXAZHDSVWNRZ-UHFFFAOYSA-N 472.567 2.340 5 40 JEBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 6278469 QXLUGXOMRXATTK-UHFFFAOYSA-N 461.525 2.362 5 40 JEBB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1cccnc1)c1cccc([N+](=O)[O-])c1 9668587 BFCALCURSZYVGF-UHFFFAOYSA-N 483.506 2.325 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)COc1ccccc1 103628637 OCXOLLIUGKVRBA-COOPMVRXSA-N 490.516 2.369 5 40 JEBB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222519093 MVXBBKSYZGMAEB-HNNXBMFYSA-N 496.973 2.486 5 40 JEBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C)CC2)[C@H]1c1cccc([N+](=O)[O-])c1 628991 TXNDFIQIRIYIEG-QFIPXVFZSA-N 472.542 2.183 5 40 JEBB in-vitro COC(=O)c1ccc(OC(=O)C[S@](=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 6023479 FJZHBRFSFMOZGR-WJOKGBTCSA-N 495.409 2.388 5 40 JEBB CC(=O)N(C(C)=O)n1c2nc3ccccc3nc2c2c(=O)n(CCCOC(C)C)c(C)nc21 8836086 YBBNUBRSSXFWFI-UHFFFAOYSA-N 450.499 2.449 5 40 JEBB COc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-] 9128270 JGHYDWWTACSCGG-UHFFFAOYSA-N 450.469 2.315 5 40 JEBB CCOC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 9266095 JEFMTKKVFZBMIY-GJKYVBSNSA-N 472.498 2.162 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 104006565 YXHHOQGOVZDCFY-YQYRJILISA-N 450.426 2.474 5 40 JEBB O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 12525640 TZYLYIPTDUVQRE-UHFFFAOYSA-N 494.327 2.380 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 16001947 PENSRQGJEMXDOL-BKJGLDIHSA-N 462.462 2.343 5 40 JEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3N=CC=C[C@H]3[C@@H]2C1=O 253487927 UBGFRGFUWFQAGY-MUGJNUQGSA-N 475.417 2.408 5 40 JEBB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2)CC1 9404887 PWKVROIBZISSSQ-UHFFFAOYSA-N 492.510 2.319 5 40 JEBB O=C(COc1ccc(Cl)cc1)NCCn1ncc2c(=O)n(Cc3cccc([N+](=O)[O-])c3)cnc21 12071879 ZTSFTVUPWQMNJQ-UHFFFAOYSA-N 482.884 2.398 5 40 JEBB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)cc1 40399920 OVVAXRYWLXDZMJ-OAHLLOKOSA-N 450.411 2.495 5 40 JEBB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225399013 QXDRQBCTZNDMMN-HNNXBMFYSA-N 496.973 2.486 5 40 JEBB CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 9380836 YSSDYHBWVPSINK-GOSISDBHSA-N 452.514 2.467 5 40 JEBB CCn1c(NC(=O)CNS(=O)(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)nc2ccccc21 10650992 LIZOKPCNUFCXDJ-UHFFFAOYSA-N 472.527 2.482 5 40 JEBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 248149592 VFSOXSCPZBQZCA-LONFEIEESA-N 466.425 2.174 5 40 JEBB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 3413269 OKRFQVYXCMRWNP-LBPRGKRZSA-N 489.466 2.013 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 13804382 VQZWMAZCMCEOKZ-QYUDBREXSA-N 466.425 2.174 5 40 JEBB CS(=O)(=O)[C@](Br)(I)[C@H](O)c1cccc([N+](=O)[O-])c1 96520986 YBDFJWLIOCLWAY-RKDXNWHRSA-N 450.048 2.157 5 40 JEBB O=[N+]([O-])c1ccccc1[C@@H](O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 9097302 HFNUXPHLBGMKQU-OAQYLSRUSA-N 462.528 2.319 5 40 JEBB CCN1C[C@@H](CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])Oc2ccccc21 35344230 YHYGAMLWXJWSQB-GOSISDBHSA-N 489.598 2.255 5 40 JEBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCCN21 35840382 CUMJHSMWEYUXTD-UFRIGAJXSA-N 478.461 2.043 5 40 JEBB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 253487321 IPINFAOGAXNGBR-BURNTYAHSA-N 474.429 2.117 5 40 JEBB O=C(Cc1ccccc1[N+](=O)[O-])OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9612734 QYRHZOHCZIXBFP-UHFFFAOYSA-N 497.529 2.367 5 40 JEBB O=C(COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H]1CCCc2ccccc21 2660555 HLRBZKVFMDIJLG-KRWDZBQOSA-N 451.435 2.318 5 40 JEBB COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1cccs1 33626538 HOGDRBSEZLRPAF-WPNIOXTASA-N 485.543 2.395 5 40 JEBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCCN21 104016192 AKOZZOGJIMQJRC-ZHNFZGJGSA-N 462.462 2.343 5 40 JEBB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 12544459 PLKCWIFYJGDDEQ-UHFFFAOYSA-N 489.485 2.279 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 15665482 IOWQWILZLTUKST-UHFFFAOYSA-N 474.499 2.467 5 40 JEBB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1 408655689 LTNFTFODMWADDX-AWEZNQCLSA-N 474.857 2.232 5 40 JEBB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223570869 UMCBBRMOKOINIJ-QGZVFWFLSA-N 476.555 2.223 5 40 JEBB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 12948642 GRWUODBFAUWREH-CQSZACIVSA-N 490.900 2.315 5 40 JEBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)N4CCN(CCO)CC4)nc2c31 20759163 KOMFJQKGJCVOGB-UHFFFAOYSA-N 486.528 2.359 5 40 JEBB biogenic Cc1cc(-n2c(C)cc(C(=O)COC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2C)no1 3468341 MUHNLHOAIFIETG-UHFFFAOYSA-N 466.406 2.321 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)O[C@H](C(=O)NC(N)=O)C(C)C 9112526 BLPXKMLASWMLER-KRWDZBQOSA-N 478.483 2.080 5 40 JEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 10256503 XEBGLVBWHDELNY-UHFFFAOYSA-N 498.500 2.077 5 40 JEBB Cc1c(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cccc1[N+](=O)[O-] 11260013 HJTXYIHATSQCHC-UHFFFAOYSA-N 458.540 2.337 5 40 JEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1cccnc1 103163232 OTRZPWVMQFOXSD-BXLNZEQQSA-N 473.489 2.141 5 40 JEBB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc([N+](=O)[O-])o3)c2=O)=N[C@@H]1c1ccc(O)c(OC)c1 408731465 MYGXQOMUYYYAEJ-OUQXZNHLSA-N 485.474 2.123 5 40 JEBB Cc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(C)c1 12897684 FLMAZTIRCIZVRJ-UHFFFAOYSA-N 462.528 2.307 5 40 JEBB CN1CCN(S(=O)(=O)c2ccc(Sc3nnnn3-c3ccc(Cl)cc3)c([N+](=O)[O-])c2)CC1 13134303 PGIOBFWZXCSCHI-UHFFFAOYSA-N 495.974 2.311 5 40 JEBB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13546912 VTZCORLGWLQPHS-WUXMJOGZSA-N 458.339 2.281 5 40 JEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1nnc(NC[C@@H]2CCCO2)s1 15140909 ISEMVHYRHLOCLK-LBPRGKRZSA-N 487.585 2.209 5 40 JEBB CCOC(=O)C1CCN(C(=O)c2cc(C(=O)N3CCC(C(=O)OCC)CC3)cc([N+](=O)[O-])c2)CC1 6545909 BRPCWCSOGMBJBH-UHFFFAOYSA-N 489.525 2.425 5 40 JEBB C[N+]1(CCOC(=O)CCCCCCCCC(=O)OCC[N+]2(C)CCOCC2)CCOCC1 100669988 HIYURGPHHJECJM-UHFFFAOYSA-N 458.640 2.147 5 40 JEBB CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 408648393 XXICESKOKRWZNW-UHFFFAOYSA-N 463.468 2.207 5 40 JEBB Cc1c(CCOC(=O)c2cccc([N+](=O)[O-])c2)c(=O)n(C)n1C(=O)c1cccc([N+](=O)[O-])c1 8762086 YIYLFIQIOZXJKV-UHFFFAOYSA-N 454.395 2.400 5 40 JEBB O=C(NCCCN1CCOCC1)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 16400976 RONNUOTZTBFVAW-UHFFFAOYSA-N 457.443 2.207 5 40 JEBB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3cc(NC)c([N+](=O)[O-])cc3c2=O)cc1 12645053 ZGRFDFLELJJOEN-UHFFFAOYSA-N 488.526 2.016 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O 16001992 UZULCSSVBFAWMU-HMSHQKHKSA-N 462.462 2.343 5 40 JEBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](CCSC)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35895169 HJUNOOOQDQIEJY-JYISGYRJSA-N 482.518 2.282 5 40 JEBB CCN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(SC)c([N+](=O)[O-])c1)C1CCCCC1 9550840 NTAOJVWQQWGISE-UHFFFAOYSA-N 473.573 2.319 5 40 JEBB CC[C@H](C(=O)Nc1nnc(SC)s1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 224862765 NXWYFTMULQXQGU-SNVBAGLBSA-N 461.547 2.360 5 40 JEBB COC(=O)C1CCN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)CC1 10541921 HOMDUXRDFTWSKC-UHFFFAOYSA-N 461.496 2.202 5 40 JEBB COc1ccc(Cn2ccc3nc4ccn(CCCN5CCOCC5)c(=O)c4cc3c2=O)cc1 40398795 JLCZCEKPUHTXPX-UHFFFAOYSA-N 460.534 2.491 5 40 JEBB CCN1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 409325491 YZFUAJGGGCZBJN-UHFFFAOYSA-N 476.555 2.271 5 40 JEBB COc1cc(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c([N+](=O)[O-])c(OC)c1OC 21707661 HDSLVYBFCCLPIT-UHFFFAOYSA-N 465.484 2.074 5 40 JEBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)c1 409106768 OXSNANPDMVJQDQ-UYRXBGFRSA-N 465.466 2.271 5 40 JEBB CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-] 9493994 FTNOWFLQJXBXKP-UHFFFAOYSA-N 472.479 2.250 5 40 JEBB COc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 4125272 JNMOMRMFMCOQAC-UHFFFAOYSA-N 456.499 2.168 5 40 JEBB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 9493949 WXBVFZVJSITTKR-UHFFFAOYSA-N 487.582 2.408 5 40 JEBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 9960346 MQZLGVHCSQLGJN-UHFFFAOYSA-N 473.463 2.217 5 40 JEBB C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)Nc1ccccc1[N+](=O)[O-] 12878047 UUTUJTKEDZIAQD-KBPBESRZSA-N 455.423 2.289 5 40 JEBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 1828670 AMVUVURXYZECEP-BYHQVZLYSA-N 493.497 2.435 5 40 JEBB CN(C)CC(=O)Nc1c(I)cc([N+](=O)[O-])cc1I 4015678 FFZLKONYCYTIDX-UHFFFAOYSA-N 475.024 2.304 5 40 JEBB CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 27344977 YXNVEZGHHQSYPC-FQEVSTJZSA-N 462.528 2.327 5 40 JEBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c2=O)=N1 409049292 YVWYDCHPJUUPES-SQWSFHKJSA-N 495.513 2.421 5 40 JEBB Cc1cc(NC(=O)CSc2nnc(N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)s2)no1 35597081 OSDVMBPAXOPHAU-UHFFFAOYSA-N 489.539 2.436 5 40 JEBB CC1CCC(NS(=O)(=O)c2ccc(NCCCN3CCC[C@H](C(N)=O)C3)c([N+](=O)[O-])c2)CC1 58293284 MNTYLLFSEWAHFV-ADKAHSJRSA-N 481.619 2.451 5 40 JEBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 408574409 QJICOUPXRKHFHS-UHFFFAOYSA-N 458.427 2.407 5 40 JEBB