smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cn1c(=O)c2c(nc3n(-c4cccc5ccccc45)c(-c4ccc([N+](=O)[O-])cc4)cn23)n(C)c1=O 9282484 YAJYLXNHYGRZDY-UHFFFAOYSA-N 466.457 3.404 5 40 JGBB Cc1cc(C)c(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@H]43)C2=O)c(C)c1 102780427 BSIRZOYRQMMDEZ-ZGVCLYJRSA-N 492.532 3.328 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)cc3)C(=O)[C@@H]21 408671322 UCSLZKGQUOWUST-RUHLTRSKSA-N 489.484 3.255 5 40 JGBB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9959087 DMBRMQOVQAJWJX-UHFFFAOYSA-N 462.388 3.283 5 40 JGBB COCCn1c(SCc2cccc([N+](=O)[O-])c2)nc2cc(C(=O)NC(C)C)ccc2c1=O 12415112 PUJBLNTZUTWQKP-UHFFFAOYSA-N 456.524 3.382 5 40 JGBB CCOCCCn1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 100811385 LWBYOZUMJGWMHS-GOSISDBHSA-N 459.550 3.355 5 40 JGBB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)c3)C(=O)[C@@H]12 408656561 FPIUNHQBLJOPEZ-SYMSJMEQSA-N 489.484 3.400 5 40 JGBB CC1CCC(NS(=O)(=O)c2ccc(NC[C@H](C(C)C)N3CCN(C)CC3)c([N+](=O)[O-])c2)CC1 12565113 NCQBFDWPUNRQIQ-MTNXOHHFSA-N 481.663 3.136 5 40 JGBB O=C(CCCn1c(=O)c2ccccc2n(Cc2ccc([N+](=O)[O-])cc2)c1=O)NCc1ccc(F)cc1 20152668 GXAOUTQIHZKILB-UHFFFAOYSA-N 490.491 3.355 5 40 JGBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@H]3C2=O)cc1[N+](=O)[O-] 248001330 SYYYISVJFAHUOC-ZBAMRAGRSA-N 480.908 3.296 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)c3)C(=O)[C@@H]21 408661909 MDDZCPDAITWBIS-RUHLTRSKSA-N 489.484 3.255 5 40 JGBB O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12522097 PGQIGVVTIGVTKD-UHFFFAOYSA-N 450.447 3.384 5 40 JGBB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 12791501 UYTUUKJSLCGGJW-INIZCTEOSA-N 475.523 3.262 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2C=CC=NN21 16038980 IEMYXSMWOYTNJU-AKHDSKFASA-N 485.283 3.499 5 40 JGBB CCCc1cc2c(=O)n(NC(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)o3)c(C)nc2s1 2780842 OEEWIADSBUKBKN-UHFFFAOYSA-N 470.511 3.466 5 40 JGBB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1[N+](=O)[O-] 8831623 YPFPBXYPZGRUDJ-UHFFFAOYSA-N 469.567 3.335 5 40 JGBB Cc1ccc([C@H](NC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C2CC2)cc1 9936836 XPTGUJMISHDSJJ-NRFANRHFSA-N 458.540 3.070 5 40 JGBB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 19818334 FVWZIGVTMJYACI-PMACEKPBSA-N 452.467 3.096 5 40 JGBB Cc1ccc([C@H](OC[C@@H](O)CN[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 34868035 DJKJEDRVBXWITK-QEGGNFSNSA-N 466.534 3.054 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)C(C)(C)C 100820962 DHSMGTCDXDKEBF-SLMZUGIISA-N 458.518 3.348 5 40 JGBB CC[C@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223618600 SEZUVKPDTPJFNY-GOSISDBHSA-N 463.556 3.286 5 40 JGBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408662259 XNZOVFTVKZBZDT-OALUTQOASA-N 467.865 3.440 5 40 JGBB COc1ccc(S(=O)(=O)N(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 9539583 ZPXBMLRGEKBBCN-UHFFFAOYSA-N 466.468 3.327 5 40 JGBB COc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)n2)cc1OC 13083853 BSBJSPQKTLJJMQ-HNNXBMFYSA-N 474.495 3.230 5 40 JGBB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)cc2)n2c(s/c(=C\c3cccc([N+](=O)[O-])c3)c2=O)=N1 1898850 SHIJLEWAFXZHRE-WLJFKGHSSA-N 477.542 3.403 5 40 JGBB O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCO1 2720971 IBRWXOLBDOVUBC-MRXNPFEDSA-N 479.518 3.163 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N/C(=O)c1cccc(F)c1 9159909 FXQNSFDMRUMULA-BYNJWEBRSA-N 492.507 3.051 5 40 JGBB COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=NN23)cc1 9331665 SPXLHZZSXXYQPW-XQUALCHDSA-N 496.479 3.365 5 40 JGBB CCCCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nc2cc(S(N)(=O)=O)ccc21 9988401 JBIIESDKANCQPK-UHFFFAOYSA-N 493.567 3.131 5 40 JGBB C[C@@H](OC(=O)CCNC(=O)CCC(=O)c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 16047137 GTRBOEXPURECSW-OAHLLOKOSA-N 466.450 3.418 5 40 JGBB CC1CCN(S(=O)(=O)c2ccc(N3CCC[C@H](c4nnc5ccccn45)C3)c([N+](=O)[O-])c2)CC1 18175106 FJRCAIVGKVRSQB-SFHVURJKSA-N 484.582 3.442 5 40 JGBB CC(C)n1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 46007480 ISIUNXGPGSLPMM-UHFFFAOYSA-N 453.499 3.375 5 40 JGBB CCCn1/c(=N\C(=O)c2cccc(F)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101165923 PKUVZUVVYCICJT-SLMZUGIISA-N 462.481 3.425 5 40 JGBB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)s2)c1 224744153 QFFURNGWRFWRBX-UHFFFAOYSA-N 453.889 3.461 5 40 JGBB Cc1cccc(OCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 224935865 XIHVCGBLOYTPFV-UHFFFAOYSA-N 469.947 3.298 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 408687260 TZWUQJIATOIUEL-DJKXOVBDSA-N 464.434 3.258 5 40 JGBB COc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)cc1OC 1362898 ONYXRSLJEPNTQH-OAHLLOKOSA-N 474.495 3.230 5 40 JGBB COc1ccc([C@H](CNC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)N2CCCC2)cc1 9119770 JFQBYUFZZKZIAN-FQEVSTJZSA-N 482.566 3.450 5 40 JGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCSc1ccccn1 20239095 BTFYPIFMASYCFZ-UHFFFAOYSA-N 472.548 3.094 5 40 JGBB CSc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)N1CCOCC1 26118010 GVOZAHDKQKGLCZ-UHFFFAOYSA-N 471.944 3.243 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCc1ccc(Cl)cc1)S(C)(=O)=O 224853586 VAZPORFUIWNWLX-UHFFFAOYSA-N 453.948 3.462 5 40 JGBB CC(C)C[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13505152 UOJCJYRCQUWIPP-NRFANRHFSA-N 479.541 3.268 5 40 JGBB COc1ccccc1N1CCN(Cc2cc(=O)c(OCc3cccc([N+](=O)[O-])c3)co2)CC1 56949890 PGZXVUPWLFEMSL-UHFFFAOYSA-N 451.479 3.458 5 40 JGBB N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1 100826320 DONIREQDFYHLEF-UHFFFAOYSA-N 456.527 3.204 5 40 JGBB O=c1c2c3nc4ccccc4nc3n(-c3ccc4c(c3)OCCO4)c2ncn1C[C@H]1CCCO1 2256531 KEGPBQFFDMNGBD-MRXNPFEDSA-N 455.474 3.234 5 40 JGBB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 20007242 DRYBBLGDFOALLY-HXUWFJFHSA-N 469.519 3.440 5 40 JGBB Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)c2cc1Cl 21849219 JHLUFMIDSAUTPB-UHFFFAOYSA-N 477.926 3.170 5 40 JGBB CC1CCC(NS(=O)(=O)c2ccc(NCC3CCN(CCN(C)C)CC3)c([N+](=O)[O-])c2)CC1 48287965 DXWVPHYSLOXILA-UHFFFAOYSA-N 481.663 3.137 5 40 JGBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)o1 107872473 IZPUYHWJWMQVIM-YVLHZVERSA-N 464.390 3.255 5 40 JGBB O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)N1CCOCC1 214274135 HJWCXOCQNAXXHM-DEDYPNTBSA-N 483.502 3.069 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)cc3)C(=O)[C@H]21 408671315 UCSLZKGQUOWUST-BTPZQINSSA-N 489.484 3.255 5 40 JGBB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c1 409124520 KTPWUNJZROZUOW-AWEZNQCLSA-N 454.512 3.254 5 40 JGBB O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCO1 2720972 IBRWXOLBDOVUBC-INIZCTEOSA-N 479.518 3.163 5 40 JGBB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)cc2[N+](=O)[O-])C1 9335292 GVVZGWDNHIWMOW-GJZGRUSLSA-N 467.478 3.448 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(O[C@@H](C(=O)N2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 9478101 NHZONBQIBAGWKU-OAQYLSRUSA-N 461.540 3.368 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc(Cl)c(C)c3)CC2)c([N+](=O)[O-])c1 408573071 LPGXHAFKOIDQPX-UHFFFAOYSA-N 461.902 3.461 5 40 JGBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1 409098690 JIPSFAWCLGXCEO-LSCVHKIXSA-N 471.447 3.397 5 40 JGBB Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(F)cc1)c(=O)n2Cc1cccc([N+](=O)[O-])c1 2687530 HHSORJYJWRXYHK-UHFFFAOYSA-N 482.493 3.320 5 40 JGBB Cc1ccc(C)c(NC(=O)[C@@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C(C)C)c1 9539776 MHTHSUIERIZYAP-QFIPXVFZSA-N 490.582 3.308 5 40 JGBB Cc1ccc(CSCCNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 10333424 PSPQFAMDCCSVLD-UHFFFAOYSA-N 451.570 3.027 5 40 JGBB Cc1csc(Sc2ccc(C(=O)O[C@@H](C)C(=O)Nc3ncnc4nc[nH]c34)cc2[N+](=O)[O-])n1 11166380 MLHKWJZVYOXROX-JTQLQIEISA-N 485.507 3.361 5 40 JGBB Cc1onc(C(=O)Nc2ccn(Cc3ccc(Br)cc3)n2)c1Cn1cc([N+](=O)[O-])cn1 22743587 FDHYGCAQPOCLOK-UHFFFAOYSA-N 486.286 3.396 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408682203 JDSACQARYKAPIN-WOJBJXKFSA-N 464.434 3.402 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408687654 USJJTTCRJDKOAB-PMACEKPBSA-N 464.434 3.402 5 40 JGBB Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4C)CC3)nn2)cc1 15882306 OMGBAZXFEAPMRR-UHFFFAOYSA-N 468.539 3.256 5 40 JGBB CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 409359443 OISCRJTYXNHOCQ-UHFFFAOYSA-N 472.502 3.315 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1Cl 2282626 QJYVCACTPRKAJX-SQWSFHKJSA-N 483.933 3.360 5 40 JGBB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)cc2[N+](=O)[O-])C1 9335293 GVVZGWDNHIWMOW-HUUCEWRRSA-N 467.478 3.448 5 40 JGBB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 9549948 SDTAVDLCJOTHDW-UHFFFAOYSA-N 451.932 3.274 5 40 JGBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 14360526 RHIGPTHNYVJUEA-UHFFFAOYSA-N 471.539 3.116 5 40 JGBB CCc1nn2c(=O)cc(COC(=O)c3ccc(N4CCCCCC4)c([N+](=O)[O-])c3)nc2s1 21601487 LXXCFBSIRXHRFL-UHFFFAOYSA-N 457.512 3.359 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 408682590 JRWHKNDLJJVOHT-JSNMRZPZSA-N 464.434 3.258 5 40 JGBB O=C(CNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1)OCc1ccccc1 408738159 QBEVRLJJSQQSLR-QHCPKHFHSA-N 491.500 3.292 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OCC 408738240 JMBPZCZXKXXYBE-FBHQFGEZSA-N 493.541 3.105 5 40 JGBB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 9493619 DNMKJQMXVSZPBG-HBWSCVEGSA-N 481.914 3.017 5 40 JGBB CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 10734174 NVLQKDRVMXMSET-UHFFFAOYSA-N 468.510 3.473 5 40 JGBB CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(CC)CC)cc1S(=O)(=O)N(C)C 12557439 HYVGNMZAPMCNDQ-UHFFFAOYSA-N 464.544 3.342 5 40 JGBB COc1ccc(CC(=O)NCCN2C(=O)S/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 13060239 WWEQGNUXGFDCEG-UNOMPAQXSA-N 471.491 3.007 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2C=CC=NN21 18008242 WORYSKVAVHYIQX-CADBVGFASA-N 484.390 3.211 5 40 JGBB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 24834485 USCWRTLEMPSNEM-UHFFFAOYSA-N 456.480 3.045 5 40 JGBB CCn1c(=O)n(CC)c2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c(Br)cc21 39369586 XHAFKJVSKQUVJH-UHFFFAOYSA-N 469.317 3.314 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408657482 UIDGRMKMIMAGMS-UAOJZALGSA-N 494.460 3.164 5 40 JGBB COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 8687143 OJUBWSRJQSSIBQ-UHFFFAOYSA-N 461.452 3.047 5 40 JGBB COc1cc(C(=O)Oc2coc(CSc3nc(C)cc(C)n3)cc2=O)c([N+](=O)[O-])cc1OC 9829337 PMCKMGAHTXCBMV-UHFFFAOYSA-N 473.463 3.484 5 40 JGBB COc1ccccc1CNC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 15653200 NMZVBNBTXOZEGM-MRXNPFEDSA-N 451.932 3.425 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](c1cccc2ccccc12)N1CCOCC1 23107767 NYTGLTCJNQXYIK-HSZRJFAPSA-N 462.506 3.185 5 40 JGBB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 26687794 SFAYUUWVTXLWCG-UHFFFAOYSA-N 466.446 3.395 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 40399405 XDJZORGNNIFSBF-CYBMUJFWSA-N 484.856 3.148 5 40 JGBB CCOc1cc(Br)c([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC 408566112 MVIRKOYLKXBUNN-XIPZIUJHSA-N 476.327 3.425 5 40 JGBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(I)c1OCC 409333916 KHKKWANJYNKIOD-WAYWQWQTSA-N 473.223 3.368 5 40 JGBB CC(C)N1C(=O)CC2(CC[N+](C)(CCOC(=O)[C@](O)(c3ccccc3)C3CCCCC3)CC2)C1=O 702169 FXFMDVPIGAUOFR-JWAPEYQUSA-N 485.645 3.392 5 40 JGBB O=[N+]([O-])c1c(Nc2ccc(I)cc2)cc(N2CCOCC2)c2nonc12 8444447 WAPQIJYPRDPEDU-UHFFFAOYSA-N 467.223 3.316 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 9119688 AOQJJRKXEANSJX-AWEZNQCLSA-N 480.477 3.224 5 40 JGBB CCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2cc(S(N)(=O)=O)ccc21 9201072 RRMGTRQCXXJVNQ-SNVBAGLBSA-N 483.959 3.385 5 40 JGBB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)ccc2Cl)C[C@H](C)O1 9493819 PSMCFCYEOMFEAO-KBPBESRZSA-N 468.915 3.403 5 40 JGBB COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)C(C)C)c1 13134209 BDEYGGYVEKTISM-NRFANRHFSA-N 458.467 3.101 5 40 JGBB O=C(c1ccc([N+](=O)[O-])s1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 15931711 YTFDYILMDPUPIX-UHFFFAOYSA-N 450.325 3.110 5 40 JGBB CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 34690180 BEJNGWMCDCELQV-UHFFFAOYSA-N 498.565 3.227 5 40 JGBB CCOCCCn1/c(=N\C(=O)c2ccccc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101156754 HLIQEUBGMNJEKO-OLFWJLLRSA-N 488.544 3.302 5 40 JGBB C[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 222662130 DGXAHOCWTDMZIO-QGZVFWFLSA-N 497.529 3.439 5 40 JGBB COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 223053933 XIKGXYZKMOIHLW-INIZCTEOSA-N 473.526 3.323 5 40 JGBB COc1cc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 223126924 YMLHQYFOZQOXOG-KRWDZBQOSA-N 457.527 3.357 5 40 JGBB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 408671815 UXMVIWMRJGEXRF-KRWDZBQOSA-N 469.494 3.263 5 40 JGBB Cc1cnc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)s1 409164321 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CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)c([N+](=O)[O-])c1 13129109 HYBDTXKHNQESOZ-UHFFFAOYSA-N 471.919 3.305 5 40 JGBB COc1cc(-n2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc(OC)c1OC 20130968 ZPIUZPGPVOMRTG-UHFFFAOYSA-N 463.446 3.135 5 40 JGBB CS(=O)(=O)N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)OCCO2 223356005 VGRXXNMPJLESKF-UHFFFAOYSA-N 469.903 3.204 5 40 JGBB O=C(NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1ccccc1[N+](=O)[O-] 14269068 JCIVKWFKROBTMY-UHFFFAOYSA-N 460.384 3.127 5 40 JGBB COc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1[N+](=O)[O-] 14273762 RANSDQMTHWBABD-UHFFFAOYSA-N 490.410 3.136 5 40 JGBB COc1ccc(OC)c(-c2csc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 3431171 HAUQKYVQNWWDQZ-UHFFFAOYSA-N 456.480 3.494 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)OCC(=O)c2c[nH]c3ccccc23)CC1 13147862 ZGXGOWUTIVPRHP-UHFFFAOYSA-N 485.518 3.211 5 40 JGBB CC(C)C(=O)N1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 15025970 ORWQLVQXQNQDNN-UHFFFAOYSA-N 461.522 3.317 5 40 JGBB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 16320892 VVZAOPLJZXSENF-UHFFFAOYSA-N 451.917 3.208 5 40 JGBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 100864966 IXBAPRHXVWSYRR-CTNGQTDRSA-N 457.402 3.286 5 40 JGBB CCOC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(nc(SCC)[nH]c2=O)N[C@@]1(O)c1ccccc1 105917666 VSTFDSMQQMKSKR-WVMBUTMQSA-N 496.545 3.372 5 40 JGBB COc1ccc(C2=NN(C(=O)COC(=O)c3cc([N+](=O)[O-])cnc3C)[C@@H](c3ccco3)C2)cc1 9244422 RAMHCGNBDXTLAW-HXUWFJFHSA-N 464.434 3.435 5 40 JGBB COc1ccc(CN(C)C(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1OC 9492717 ZHCHYRHLOPOCSD-UHFFFAOYSA-N 471.510 3.418 5 40 JGBB O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9512107 IFYFIKVWTKWSKA-UHFFFAOYSA-N 469.501 3.315 5 40 JGBB C[C@H](NC(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 9720916 AIPDXZKZWMAELK-RNXZQOMOSA-N 490.626 3.011 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 9956021 SGYDYNXTCVQPFS-UHFFFAOYSA-N 476.555 3.486 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 16682450 AYRZKHMEHMOYMW-MUPHDSPYSA-N 497.529 3.087 5 40 JGBB Cc1ccc(Cc2nn3c(=O)/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)sc3nc2=O)cc1 26779469 ISWYFBIJOKZPHF-FYJGNVAPSA-N 472.482 3.126 5 40 JGBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225413024 FELCGUHOZFVDSB-IRXDYDNUSA-N 473.526 3.323 5 40 JGBB O=C(NC(=S)Nc1ccccc1Br)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22575025 KCKCVKVWSQQBDX-UHFFFAOYSA-N 465.329 3.321 5 40 JGBB O=C(Oc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408666997 PUGQGIRGJWEJMY-IPHXSNPTSA-N 477.473 3.233 5 40 JGBB CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 409190879 AIAITSUWCPJNLO-OQLLNIDSSA-N 479.230 3.301 5 40 JGBB CCn1c(CCn2nc(C)c([N+](=O)[O-])c2C)nnc1S[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1=O 2781922 MWRMOOQFBONWLI-GOSISDBHSA-N 497.581 3.303 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccncc2)n1CCCN(C)C 12491822 JUVPKPARVZYUPE-UHFFFAOYSA-N 455.544 3.239 5 40 JGBB CCOC(=O)c1sc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)OCC)c1C 1862460 BLNNZTVNDOUGAF-UHFFFAOYSA-N 465.509 3.445 5 40 JGBB Cc1c(NS(=O)(=O)c2ccc(NCC(C)C)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 9283986 KFIAMGAWLKJRAA-UHFFFAOYSA-N 459.528 3.261 5 40 JGBB O=C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](Cn2c3ccccc3c3ccccc32)O1 12249906 MEAREUYVANSYDE-QGZVFWFLSA-N 465.487 3.319 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)C(C)(C)C)N1N=Cc3ccccc3[C@@H]21 248125072 UHBWMFJLDKFMTC-JSXRDJHFSA-N 460.490 3.397 5 40 JGBB Cc1cccnc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C 409124375 BMTIVUCAUFSYMK-SFHVURJKSA-N 483.554 3.285 5 40 JGBB CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)n2c(s/c(=C\c3ccccc3[N+](=O)[O-])c2=O)=N1 2708728 GKEAXXZFEIECCG-XGHXRCDJSA-N 469.544 3.157 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 8933997 XOHMSAJKBGSQOJ-UHFFFAOYSA-N 465.553 3.365 5 40 JGBB CC(C)c1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 14273742 POFMWYODVHWIKV-UHFFFAOYSA-N 497.621 3.392 5 40 JGBB CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nc2ccccc2[nH]1 16737866 YXWORGFNUWOICW-FQEVSTJZSA-N 459.528 3.301 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 20888235 KCKVPZXCHZEHDD-UHFFFAOYSA-N 495.513 3.450 5 40 JGBB CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3C)CC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 67286335 FPUXIZUJRPKXEL-XMMPIXPASA-N 493.564 3.205 5 40 JGBB O=C1CN(C(=O)COC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)c2ccccc2N1 8685287 QJVYMSBDCUFKDS-UHFFFAOYSA-N 452.467 3.117 5 40 JGBB CCCn1/c(=N/C(=O)c2ccc(F)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 9222909 DVNQCTHIBUVHNZ-XAYXJRQQSA-N 462.481 3.425 5 40 JGBB O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 16039499 CKFQPTMUNIKVGX-GPJHCHHRSA-N 466.453 3.356 5 40 JGBB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 139063871 XHOXUCHJNBBNGC-CYBMUJFWSA-N 476.283 3.201 5 40 JGBB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1=O 408535275 VOMUIBPVMRYHOT-NVMNQCDNSA-N 495.517 3.077 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408689211 XYHPDHMYSVOBEN-AFHBHXEDSA-N 464.434 3.092 5 40 JGBB Cc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccco3)c2=N)cc1 100869856 ASPMQZLUICTTEE-UHFFFAOYSA-N 453.502 3.317 5 40 JGBB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2ccccc2[N+](=O)[O-])c1=S 409158260 XYUKCIRFICMGBZ-UHFFFAOYSA-N 454.512 3.219 5 40 JGBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 409181420 CNLVWAMCIZKAKA-UHFFFAOYSA-N 470.415 3.376 5 40 JGBB CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](c4ccccc4)C[C@@H]32)C1=O 9430412 USNVOFYIDZDVOB-OYRDERLMSA-N 462.506 3.377 5 40 JGBB CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccccc1 15129218 UYOBIWVMPZUKGZ-NRFANRHFSA-N 462.572 3.111 5 40 JGBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22746308 UXVVXTKCGUIQST-UHFFFAOYSA-N 488.507 3.076 5 40 JGBB CCn1c2ccccc2c2nnc(SCC(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc21 33941755 URPLBZRWKQKBFH-UHFFFAOYSA-N 466.479 3.182 5 40 JGBB COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccc(F)cc3)c2=N)cc1 101158684 JSWAZSCXKMJJLM-UHFFFAOYSA-N 483.503 3.255 5 40 JGBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 408685756 QHYDIILOTKIEEQ-UHFFFAOYSA-N 474.385 3.039 5 40 JGBB Cc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 9493498 AYZQSMQFTHZCNM-JTQLQIEISA-N 459.402 3.284 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)nn2-c2ccccc2)c([N+](=O)[O-])c1 13062999 ORWJXLODQZEEIP-UHFFFAOYSA-N 487.538 3.137 5 40 JGBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2-[n+]2ccn(Cc3ccccc3)c2)c1 13685526 IZUSIEZLVZIPFK-UHFFFAOYSA-N 487.521 3.465 5 40 JGBB CCCn1/c(=N\C(=O)c2ccccc2OCC)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176370 BSKGDAMHIJCUQV-NFFVHWSESA-N 474.517 3.376 5 40 JGBB COc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1 108247040 LLKFJFCLUXCFEG-CQSZACIVSA-N 484.538 3.262 5 40 JGBB Cn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 9327688 CRUPKXGUJZLTEZ-UHFFFAOYSA-N 459.915 3.324 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 9907922 ARXPAXSFISLTOO-UHFFFAOYSA-N 454.483 3.001 5 40 JGBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCC(N)=O 16195361 LVZDSFWRCOLXKD-UHFFFAOYSA-N 487.738 3.085 5 40 JGBB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 19818362 QAEQZBKQQVTABL-PMACEKPBSA-N 452.467 3.096 5 40 JGBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 102085050 FXGNXPCJFVEAFG-XWOVPUAZSA-N 472.453 3.192 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 408685634 POWRGSCVSBKIRV-CFLQYTFWSA-N 464.434 3.258 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@H]3[C@@H]2C1=O 9312256 UHBWMFJLDKFMTC-CGXNFDGLSA-N 460.490 3.397 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c(C)c1 11533366 YVQUUOWPMIEISH-KRWDZBQOSA-N 489.550 3.183 5 40 JGBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)CC2)c1 13108035 QVOWBXFVRAXOKN-HSZRJFAPSA-N 497.573 3.008 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 15101209 UETISWIEIZQSBF-INIZCTEOSA-N 480.974 3.280 5 40 JGBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 102085091 XCHFDBDMOSTNOI-XWOVPUAZSA-N 472.453 3.192 5 40 JGBB Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 103529354 MMBCUTPJVMZYSX-VEBYGKHWSA-N 480.908 3.296 5 40 JGBB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408663883 PJEMDWDLYRUNKX-UHFFFAOYSA-N 471.466 3.308 5 40 JGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 408683766 MCFPKVYJOQDGGU-UHFFFAOYSA-N 474.385 3.039 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408684883 OJJUDVDZOOQKKF-HZVDNRATSA-N 464.434 3.092 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccco1)N1c3ccccc3C=C[C@H]21 9313186 HTCZVYAVWCEEIZ-LUGPXAIHSA-N 485.452 3.469 5 40 JGBB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl 15546001 FBDXLCBTDNLLKF-HXUWFJFHSA-N 458.902 3.467 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 40399308 ALCAKIRXJLGWAC-ZDUSSCGKSA-N 484.856 3.148 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408642777 FEKVAFXTLIFSOX-VOBQZIQPSA-N 494.460 3.164 5 40 JGBB CS(=O)(=O)c1ccc(NCC(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c([N+](=O)[O-])c1 9253923 KHHJAPNGLPJGRJ-UHFFFAOYSA-N 482.470 3.413 5 40 JGBB O=[N+]([O-])c1ccc(NCCNc2cccc3ccccc23)c(S(=O)(=O)N2CCOCC2)c1 9507224 ZOLVTYHCNRVCHO-UHFFFAOYSA-N 456.524 3.293 5 40 JGBB Cn1c(=O)c2c(SCc3ccccc3F)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O 11758248 ZHIJJSRFMKWBMG-UHFFFAOYSA-N 453.455 3.034 5 40 JGBB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1 102330662 AFZJMFHNTWKMCQ-NQERCMRGSA-N 489.937 3.270 5 40 JGBB Cc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3F)n2C)cc1[N+](=O)[O-] 108914868 QHSYDSLVLPCSHO-CYBMUJFWSA-N 472.502 3.393 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408678098 COCDVIHNFPAJAD-WMZOPIPTSA-N 464.434 3.402 5 40 JGBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)CCCC1=O)c1ccc(Br)cc1 408687251 TYWFRDGPMZTINO-UHFFFAOYSA-N 474.267 3.137 5 40 JGBB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409057088 TZAGYJPOOYTROK-UHFFFAOYSA-N 454.512 3.175 5 40 JGBB COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9510001 GJUQXAVNUFHNKL-UHFFFAOYSA-N 453.904 3.296 5 40 JGBB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccs1)Nc1ccc(F)cc1[N+](=O)[O-] 9631584 PKFUFWRGNCVQQA-UHFFFAOYSA-N 479.467 3.392 5 40 JGBB COc1ccccc1C(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16228377 ZJXVWAGMZOLDND-UHFFFAOYSA-N 468.457 3.459 5 40 JGBB Cc1cc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(C)n1C[C@H]1COc2ccccc2O1 8883502 WLQAOBQETBMGDX-SFHVURJKSA-N 474.473 3.446 5 40 JGBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C(c1ccc([N+](=O)[O-])cc1)=NN2c1ccccc1 9069500 IXBAPRHXVWSYRR-FPOVZHCZSA-N 457.402 3.286 5 40 JGBB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)CC2)[C@@H]2C=C[C@H]1C2 20494203 AFZJMFHNTWKMCQ-YIFBXAAPSA-N 489.937 3.270 5 40 JGBB COc1ccc(Cn2c(=N)c(S(=O)(=O)c3ccc(F)cc3)cc3c(=O)n4ccccc4nc32)cc1 100944316 GZJYCGDGLJRNIH-UHFFFAOYSA-N 490.516 3.157 5 40 JGBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106742505 XRYOYRTXZIKLBP-SXGWCWSVSA-N 459.436 3.390 5 40 JGBB Cc1cnc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)s1 409164322 GURKPMPUSUQKCO-OAHLLOKOSA-N 475.556 3.336 5 40 JGBB CCN(C(=O)CSc1nc2ccccc2c2nc3ccccc3n12)[C@H]1CCS(=O)(=O)C1 8760708 JQFTXJBXUWYCBY-HNNXBMFYSA-N 454.577 3.163 5 40 JGBB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])Nc1ccccc1-c1ccccc1 9048838 AYHMTZXWVZQHAO-UHFFFAOYSA-N 497.529 3.300 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(N/N=c2/c(=O)c3cccc4cccc2c43)c([N+](=O)[O-])c1 9335261 GTGSBUHMDHRBIL-DARPEHSRSA-N 452.492 3.095 5 40 JGBB C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 34857968 AFEZCONRBHTCHX-QGZVFWFLSA-N 468.535 3.082 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408685653 PRBWFLDAVHHDBA-KDURUIRLSA-N 450.407 3.012 5 40 JGBB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)cc1 409179870 OUJABSRMNRKHCO-UHFFFAOYSA-N 488.408 3.360 5 40 JGBB COc1cc([C@H]2CC(=O)N=C3N=CNN32)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409378785 RULRRLHTTKPSEO-OAHLLOKOSA-N 474.271 3.121 5 40 JGBB CCNc1ccc(C(=O)OCC(=O)NCCc2ccc(OCC)c(OCC)c2)cc1[N+](=O)[O-] 9987316 OCMUDGMVYSTPNN-UHFFFAOYSA-N 459.499 3.340 5 40 JGBB COc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1 33722987 QVLXFAAYWNUWSG-UHFFFAOYSA-N 483.594 3.431 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 408682596 JRWHKNDLJJVOHT-XMCHAPAWSA-N 464.434 3.258 5 40 JGBB COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC 12592001 FRNUCYWBYJXPCI-UHFFFAOYSA-N 469.406 3.253 5 40 JGBB COc1ccc(CNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1OC 224936468 DAPCBNLMVQSHCW-UHFFFAOYSA-N 485.946 3.128 5 40 JGBB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 9668964 QILUYWOIWNFQAT-UHFFFAOYSA-N 496.545 3.367 5 40 JGBB Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)n1 13425231 KECZIOLPSWXQBS-UHFFFAOYSA-N 459.557 3.462 5 40 JGBB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C2)cc1 13683026 UYLJFMLEIDDKAB-ZDUSSCGKSA-N 453.904 3.296 5 40 JGBB CN1CCN(S(=O)(=O)c2ccc(Sc3nc(-c4ccccc4)c[nH]3)c([N+](=O)[O-])c2)CC1 22957043 BLUPVPSEWUVBCE-UHFFFAOYSA-N 459.553 3.072 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408662267 XOLNTURFLLIDLZ-MOXQZVSFSA-N 461.474 3.174 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1C 409124803 CPTDAARUUJJASS-CQSZACIVSA-N 454.512 3.254 5 40 JGBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 409245380 RXBJVDYJAFXNAE-ATVHPVEESA-N 462.418 3.395 5 40 JGBB COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 3849453 QFXTYQMAILAPSB-HXUWFJFHSA-N 461.474 3.175 5 40 JGBB biogenic O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 8898604 PHEMQCKQJPDORF-UHFFFAOYSA-N 486.397 3.089 5 40 JGBB O=C(CNC(=O)c1cccs1)NCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 10000469 ZGAGEOIZIYDZOO-UHFFFAOYSA-N 469.475 3.038 5 40 JGBB O=C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](Cn2c3ccccc3c3ccccc32)O1 12249905 MEAREUYVANSYDE-KRWDZBQOSA-N 465.487 3.319 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1Cl 16428671 WWTAZRWPXXMWOU-UHFFFAOYSA-N 474.929 3.306 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2cc3ccc(F)cc3nc2C)CC1 30957493 XSNWDVBUKXRQSH-UHFFFAOYSA-N 472.498 3.046 5 40 JGBB CC(C)(C)C(=O)/C=c1\s/c(=C/c2ccccc2F)c(=O)n1Cc1cc([N+](=O)[O-])cc2c1OCOC2 34705753 HQERSLYAAWVLJK-FLHFAHEKSA-N 498.532 3.096 5 40 JGBB O=C(OCCN1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc2c(ccc3ccccc32)oc1=O 36627566 MEAKPCPKZDGJKO-UHFFFAOYSA-N 492.553 3.110 5 40 JGBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)N1CCOCC1 214307352 OLKUYCLTRUPFPN-DEDYPNTBSA-N 483.502 3.069 5 40 JGBB COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408673145 PVUSVYZNRLUJRS-OHOGDBNVSA-N 478.457 3.345 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2Cl)n1C 409350829 UNEBPBSJGBBZFR-UHFFFAOYSA-N 474.930 3.346 5 40 JGBB Cc1cccc(CSCCNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 10332624 NOQPDFZXTAJFTJ-UHFFFAOYSA-N 451.570 3.027 5 40 JGBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1=O 15236605 HYIGYQBNWURXQJ-PXDATVDWSA-N 461.474 3.469 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 48274571 GZJADEJKULBYDW-TZIWHRDSSA-N 475.523 3.188 5 40 JGBB O=C(O)[C@@H](CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104070799 YRKUYJKLFVZPHV-CQSZACIVSA-N 464.347 3.077 5 40 JGBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)Nc1cccc(F)c1 409231165 IAUGRMROHSWSTI-ODLFYWEKSA-N 486.481 3.246 5 40 JGBB O=C(Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)NCc1nc2ccccc2[nH]1 16694547 QXOFONBGGLWAMD-UHFFFAOYSA-N 465.491 3.131 5 40 JGBB N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(F)cc1 101116972 YRHUNFZXWYNCFX-UHFFFAOYSA-N 471.467 3.385 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O 408606372 INZVGGUKOJMLCM-UHFFFAOYSA-N 456.318 3.066 5 40 JGBB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408672853 XNURGFNLBCEBKL-GOSISDBHSA-N 497.504 3.395 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OCC 408738244 JMBPZCZXKXXYBE-PZHBDVNGSA-N 493.541 3.105 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc2ccccc12 6488979 OHPKGWLGQJNABS-JJEHFPDLSA-N 489.509 3.453 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)c([N+](=O)[O-])c1 9680688 GEZQMUJWQYCWAK-UHFFFAOYSA-N 479.534 3.119 5 40 JGBB Cc1nn(CC(C)C)c2sc(C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)cc12 12972257 LQXIRIPSDJUGJA-UHFFFAOYSA-N 491.595 3.117 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 101074631 UNINJUMDLVLZPJ-IREDOHAOSA-N 487.512 3.206 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)c1 408654842 BUPJXLADJKEXKD-GKIWIXTESA-N 493.472 3.101 5 40 JGBB COc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCCC3)c2)c([N+](=O)[O-])c1 9283493 AKNCGVILUDMUAQ-UHFFFAOYSA-N 462.528 3.219 5 40 JGBB O=C(O)c1cc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(CCO)C3=O)ccc1Cl 12375237 HILKTOAYNQGXEO-UHFFFAOYSA-N 455.810 3.432 5 40 JGBB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c1 16044020 FMYRGOPTKFZHPJ-UHFFFAOYSA-N 475.504 3.277 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc2ccccc2c1 31937300 OLTUTADAUJBIKD-NFFVHWSESA-N 452.470 3.257 5 40 JGBB COc1cc2ncn(CCCC(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)c(=O)c2cc1OC 32847980 JLLWUUMCNFHYNV-OAHLLOKOSA-N 454.483 3.322 5 40 JGBB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3Cl)cc2)n1 35154920 HMGDYFWQBTWSRA-UHFFFAOYSA-N 491.913 3.473 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 101176432 QXFUCRUWSJSLKH-QLYXXIJNSA-N 475.461 3.056 5 40 JGBB O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408672588 VMGZMKMKXMMDTE-NXEUSJOTSA-N 489.484 3.089 5 40 JGBB COc1ccc(-n2c(=O)c3ccc4c(=O)n(-c5ccc(OC)cc5)c(=O)c5ccc(c2=O)c3c45)cc1 710877 AAIQDVDARMQUAG-UHFFFAOYSA-N 478.460 3.061 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSc1ccc(Cl)cc1)S(C)(=O)=O 10434346 LYVLQICACNFSSK-UHFFFAOYSA-N 457.961 3.231 5 40 JGBB Cc1ccc2nc3c(cc(C(=O)N[C@@H](C)c4ccccc4)c(=N)n3C[C@@H]3CCCO3)c(=O)n2c1 15952815 JDVUJVYSVMTVON-HKUYNNGSSA-N 457.534 3.107 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1ccc2c(c1)nc1n2CCCCC1 20667847 LOBXWUXBGPOVDF-UHFFFAOYSA-N 471.539 3.435 5 40 JGBB Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cn2cnc3cc(F)c([N+](=O)[O-])cc3c2=O)cs1 32934995 XCRISAKHUIKMJQ-UHFFFAOYSA-N 465.466 3.465 5 40 JGBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2Cl)cccc1[N+](=O)[O-] 33393455 WRBGQRGPTRZXIL-UHFFFAOYSA-N 453.904 3.359 5 40 JGBB C[C@@H](C(=O)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2)c1ccc(C[C@@H]2CCCC2=O)cc1 604404286 BCYDEGYSDPYBLJ-LGYWMIHWSA-N 463.534 3.418 5 40 JGBB biogenic O=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)Nc1cc([N+](=O)[O-])ccc1F 2652932 FXGVRUUHHWEFFW-UHFFFAOYSA-N 491.428 3.469 5 40 JGBB Cc1cc(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)n1C[C@H]1COc2ccccc2O1 3545172 TZBZZMATMDWFNE-KRWDZBQOSA-N 475.457 3.332 5 40 JGBB COc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2F)cc1[N+](=O)[O-] 8894983 IBNKSMRHCBARAG-UHFFFAOYSA-N 475.239 3.474 5 40 JGBB CC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 9662744 ONARXLJHHIFHDK-UHFFFAOYSA-N 465.915 3.490 5 40 JGBB CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3Br)c([N+](=O)[O-])c2)CC1 36329728 MUSPAKAAYXMGLV-UHFFFAOYSA-N 474.308 3.225 5 40 JGBB Cn1c(CNS(=O)(=O)c2ccc(Cl)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 3121362 NDTUQPDHAGPCMH-UHFFFAOYSA-N 453.933 3.148 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccncc2)n1C[C@H]1CCCO1 6906664 YRFIHQWTBSEGDL-MRXNPFEDSA-N 470.511 3.167 5 40 JGBB O=C(COc1ccc(Br)cc1)NC(=S)NCCNc1ccc([N+](=O)[O-])cc1Cl 16428764 JYRGLMPWTGGPOF-UHFFFAOYSA-N 487.763 3.492 5 40 JGBB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c2)N1 34688701 OAGMADWMPRUXJB-UNMCSNQZSA-N 461.478 3.106 5 40 JGBB biogenic COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1 72271986 UPXKBJTWVZLKQS-UHFFFAOYSA-N 467.500 3.308 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)c3)C(=O)[C@@H]2C1 408671243 YXDWLKQZFFNTIX-VOBQZIQPSA-N 465.462 3.316 5 40 JGBB Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 409349300 VPBUJGGRUCYRKB-AWEZNQCLSA-N 454.512 3.254 5 40 JGBB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4ccccc4[N+](=O)[O-])c3)nn12 10010349 CTFOOFRIVXDVPR-UHFFFAOYSA-N 454.468 3.350 5 40 JGBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c1C 15546163 QSEINJDTMOLFDG-NRFANRHFSA-N 452.511 3.430 5 40 JGBB O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C(=O)c1ccccc1F)[C@@H]1OC(=O)[C@H]2C=CC=C[C@H]21 102951180 ZPJRZGXHUHSGBE-FMERGGRFSA-N 464.405 3.024 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1C 408641281 CHHVZVXRNLWXMF-SFTDATJTSA-N 461.474 3.403 5 40 JGBB CCOCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 2113835 AOSWPMGFVWOZOG-XUZZJYLKSA-N 462.506 3.188 5 40 JGBB biogenic Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)n3c(c2n(C)c1=O)[C@H](c1cccc(O)c1)OCC3(C)C 9348448 QPPHIVHLSKDVQU-QFIPXVFZSA-N 476.489 3.174 5 40 JGBB CCN(C(=O)COC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 9545914 QRDJTLCFRKWFGO-QGZVFWFLSA-N 492.575 3.247 5 40 JGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 13601183 AWYYBADEWXUEHY-UHFFFAOYSA-N 460.295 3.175 5 40 JGBB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 24974013 FSYGFTYRNIRDFR-LBPRGKRZSA-N 475.299 3.193 5 40 JGBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223131982 ABEHUAXODYRKRY-JKSUJKDBSA-N 461.490 3.453 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc(=O)c3nnn(Cc4ccccc4Cl)c3[nH]2)CC1 1324913 BZYNLQSIWRVEGJ-UHFFFAOYSA-N 493.911 3.144 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1[N+](=O)[O-] 3246937 SNGOEECNZRDLAF-UHFFFAOYSA-N 480.454 3.076 5 40 JGBB CC(=O)Nc1cc([N+](=O)[O-])c(CCNC(=O)c2ccccc2)cc1CCNC(=O)c1ccccc1 3845105 VFOUYFPLVGAYAN-UHFFFAOYSA-N 474.517 3.498 5 40 JGBB biogenic O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 8816240 ZNKPUDIGBBTDGD-UHFFFAOYSA-N 480.447 3.258 5 40 JGBB Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)n3c(c2n(C)c1=O)[C@@H](c1cccc(O)c1)OCC3(C)C 9348446 QPPHIVHLSKDVQU-JOCHJYFZSA-N 476.489 3.174 5 40 JGBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1 15881685 FXFXOFKZQDYMTL-OAQYLSRUSA-N 474.514 3.169 5 40 JGBB O=C(COc1coc(CN2CCN(c3ccccc3F)CC2)cc1=O)Nc1cccc([N+](=O)[O-])c1 56949816 QAHHMABHFRNNKT-UHFFFAOYSA-N 482.468 3.027 5 40 JGBB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 223665077 OQYODERRCGCONB-SFTDATJTSA-N 451.508 3.316 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)cc1 408676233 ANRJYBQJCNDGNW-QPJICYPMSA-N 477.473 3.041 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408683811 MFVDWMXHIVDKHO-UAOJZALGSA-N 494.460 3.164 5 40 JGBB Cn1c(=O)c2c(-c3cc([N+](=O)[O-])ccc3Br)n(Cc3ccco3)cc2n(C)c1=O 8738397 QXWGLRNBJNESLV-UHFFFAOYSA-N 459.256 3.018 5 40 JGBB O=c1cc(Cc2nnc(SCc3cccc([N+](=O)[O-])c3)n2-c2ccc(Cl)cc2)[nH]c(=O)[nH]1 9382104 JXUXAFVWBIHLIV-UHFFFAOYSA-N 470.898 3.089 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)c1 408682882 KGBQXMCCZOXTGN-IWMITWMQSA-N 479.489 3.265 5 40 JGBB CCOCCCNC(=O)c1c(N)n(-c2cc([N+](=O)[O-])ccc2OC)c2nc3ccccc3nc12 2195047 GTWJJZVRQOLQAZ-UHFFFAOYSA-N 464.482 3.229 5 40 JGBB NC(=O)c1ccc(C(c2ccc(C(N)=O)c([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-] 2518336 KXRNAADRWFLSAN-UHFFFAOYSA-N 480.277 3.112 5 40 JGBB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13149749 QAQCAPWHNVZOAL-UHFFFAOYSA-N 487.490 3.209 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408687656 USJJTTCRJDKOAB-UXHICEINSA-N 464.434 3.402 5 40 JGBB CCOC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@@H](O)c1cccc([N+](=O)[O-])c1 6547665 FTRZMFXBTZTFSI-PKTZIBPZSA-N 482.514 3.110 5 40 JGBB O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1ccccc1[N+](=O)[O-] 11617086 NCNOFFRSALWZIU-UHFFFAOYSA-N 475.457 3.038 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccc(F)c(F)c1 101177203 JDBLUFZTWGOWCA-SGWCAAJKSA-N 466.444 3.426 5 40 JGBB COc1cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c([N+](=O)[O-])cc1OC 9377470 LTEPMMQQZLKYAY-UHFFFAOYSA-N 479.511 3.048 5 40 JGBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 9613533 KFZYMGXQEQYVJI-NSHDSACASA-N 469.372 3.002 5 40 JGBB CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 9914109 YGBCWGWZNXLSHM-UHFFFAOYSA-N 461.418 3.272 5 40 JGBB CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 15333560 IIIXIXNIUIMCBR-KRWDZBQOSA-N 471.329 3.404 5 40 JGBB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 101058435 MFVMACPMKKHFOL-FKBYEOEOSA-N 461.430 3.360 5 40 JGBB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 409060377 RIDBEDMVTXEJQW-UHFFFAOYSA-N 468.539 3.484 5 40 JGBB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 409412302 HFTBBSNVOJUVBG-UHFFFAOYSA-N 488.957 3.392 5 40 JGBB CS(=O)(=O)N(CCCC(=O)NCc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 223470624 ZEOIPUZZRZAZCD-UHFFFAOYSA-N 459.446 3.476 5 40 JGBB COC[C@@H](C)OC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1cc(OC)c(OC)cc12 2302163 YUOYGPVQLWDDHE-GFCCVEGCSA-N 462.462 3.498 5 40 JGBB Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1[N+](=O)[O-] 14269266 YEZXYDYGOXCQAW-UHFFFAOYSA-N 467.536 3.182 5 40 JGBB Cc1nn(Cc2c(C(=O)N3CC[C@@H](C(F)(F)F)n4nccc43)noc2C)c(C)c1[N+](=O)[O-] 22535160 YKZIDTZRTZWCBI-ZDUSSCGKSA-N 453.381 3.103 5 40 JGBB CO[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 4963899 MPAYVFMSSYJEOW-HDBZGKQISA-N 460.395 3.035 5 40 JGBB Cc1ccccc1-c1noc(CN2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])CC2)n1 36396173 MSOGMCJGMBCDIT-UHFFFAOYSA-N 450.499 3.100 5 40 JGBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)NCc1ccccc1OC(F)(F)F 62410019 SOMMDAJXYWSKJN-UHFFFAOYSA-N 489.454 3.480 5 40 JGBB O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 102710217 NATCCOPVGBHQHE-HBMCJLEFSA-N 459.414 3.344 5 40 JGBB COc1ccc(OC)c([C@@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 224847159 VBNIDPMOWDDBTC-OAHLLOKOSA-N 495.554 3.044 5 40 JGBB CC(C)n1c(=O)sc2cc(NC(=O)[C@@H](C)N(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)ccc21 225170835 IBXMHBBYEUUWQU-CYBMUJFWSA-N 478.552 3.345 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 408658081 USQDKDVGXZHFTQ-DHNNRRLOSA-N 473.485 3.259 5 40 JGBB CCOC(=O)c1sc(NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)c(C(=O)OCC)c1C 4421632 FGZALFFFVBUOGQ-UHFFFAOYSA-N 460.468 3.307 5 40 JGBB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8831081 JOWQHCOWHDNHMJ-UHFFFAOYSA-N 461.500 3.307 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CSCC(=O)Nc1ccc(C)cc1C 9884032 FAADZLQRVQLRPY-UHFFFAOYSA-N 461.496 3.074 5 40 JGBB CN1CCN(S(=O)(=O)c2ccc(NCc3ccccc3OC(F)(F)F)c([N+](=O)[O-])c2)CC1 12536336 DCZRIKGQUUTTFO-UHFFFAOYSA-N 474.461 3.042 5 40 JGBB CC(C)c1ccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 89893415 IAZKRMIUYFUUDP-QGZVFWFLSA-N 460.556 3.052 5 40 JGBB C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 222662040 FILIOKGZXAASGP-KRWDZBQOSA-N 497.529 3.439 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)c3ccccc3C2=O)c1 408677520 CAEBCXUUPYKXEW-UHFFFAOYSA-N 459.414 3.140 5 40 JGBB O=C(CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1)NC1CC1 2501118 MOGBNJGGWRICER-UHFFFAOYSA-N 454.489 3.376 5 40 JGBB CCCOC(=O)c1c(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)sc(C(=O)OC)c1C 8682557 XDFXIPPYXANAOL-UHFFFAOYSA-N 452.489 3.242 5 40 JGBB COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 44802891 VPZMBUHBZJQWKL-UHFFFAOYSA-N 459.480 3.017 5 40 JGBB Cc1cc(C)c(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@H]43)C2=O)c(C)c1 102780422 BSIRZOYRQMMDEZ-HXKPRTCISA-N 492.532 3.328 5 40 JGBB CC[C@@H](C(=O)NCc1ccc(CN2CCCC2)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224511675 RBUCWGWSIBOLJP-QFIPXVFZSA-N 488.610 3.360 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1nnc(SC(C)C)s1)S(C)(=O)=O 225386631 URHZDPCKGAMIGJ-NSHDSACASA-N 459.575 3.048 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 408641860 DEXPADJCOZGTHN-BSLALVQMSA-N 461.474 3.341 5 40 JGBB CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 8831735 VUEVKQNUFLIZMV-UHFFFAOYSA-N 468.583 3.074 5 40 JGBB C[C@H]1CN(C(C)(C)CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C[C@@H](C)O1 12700008 WLCKFEZCXBNJBK-CALCHBBNSA-N 454.593 3.069 5 40 JGBB COc1cc(-c2nnc(Sc3c(C(=O)O)cc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc(OC)c1OC 16195297 FHBGGCROAWVZDP-UHFFFAOYSA-N 478.395 3.428 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408676609 AZAYYYJSGCDUFC-MJGOQNOKSA-N 464.434 3.402 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408681675 IDPFHPSEMSTABE-NIKGAXFTSA-N 466.450 3.482 5 40 JGBB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1=O 9591945 BOSGVJLHULXSMZ-XMMPIXPASA-N 465.510 3.333 5 40 JGBB O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14269616 NMMDHFLGULHZHM-UHFFFAOYSA-N 465.875 3.120 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2F)n1C 33579794 VQGCJEHPXHSVDV-CYBMUJFWSA-N 472.502 3.393 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)CC1=O 138739124 PMPDKZZWAJPSKY-LLVKDONJSA-N 482.276 3.445 5 40 JGBB COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 408615211 NKBOHQVPLOSAFS-UHFFFAOYSA-N 485.518 3.385 5 40 JGBB Cc1cccc(C)c1NC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2)n1C 409128712 GMPMRNQMPRAJHD-UHFFFAOYSA-N 454.512 3.001 5 40 JGBB Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21 8969499 USJBZSAYAXICMV-FLFXDLLNSA-N 480.908 3.296 5 40 JGBB Cc1ccc2nc(C)c(C(=O)N3CCN(c4ccc(S(C)(=O)=O)cc4[N+](=O)[O-])CC3)cc2c1 12562764 GUWFACQHCPIJCJ-UHFFFAOYSA-N 468.535 3.126 5 40 JGBB Cc1cc(N2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)nc(C(C)C)n1 15117728 LBAAMOORTYUQNB-UHFFFAOYSA-N 488.614 3.318 5 40 JGBB COc1cc(C(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)ccc1OCC(C)C 15929162 NFQNFGCDUYRIHL-UHFFFAOYSA-N 491.566 3.093 5 40 JGBB O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C(=O)c1ccccc1F)[C@@H]1OC(=O)[C@H]2C=CC=C[C@H]21 102951176 ZPJRZGXHUHSGBE-LIWAJOSJSA-N 464.405 3.024 5 40 JGBB Cc1cc(C)cc(OCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 224104807 KKLVCYJPTGIIQP-UHFFFAOYSA-N 463.556 3.261 5 40 JGBB O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)Nc1ccc2c(c1)C(=O)OC2 1315841 XPKKMYRBXBUKHC-UHFFFAOYSA-N 456.414 3.281 5 40 JGBB O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 2779113 KTWVRLJWBUGXIX-UHFFFAOYSA-N 452.393 3.345 5 40 JGBB Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21 16009846 MMBCUTPJVMZYSX-NARGUJOISA-N 480.908 3.296 5 40 JGBB COc1ccc(CCn2ccc3nc4ccn(-c5ccncc5)c(=O)c4cc3c2=O)cc1OC 38829189 GBBQASUSXOTGER-UHFFFAOYSA-N 454.486 3.356 5 40 JGBB Cc1ccc(OCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 224854854 VUQHGRQMQMNGCN-UHFFFAOYSA-N 463.556 3.261 5 40 JGBB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 408549465 UAURPLHHRPGPDI-CXUHLZMHSA-N 490.266 3.002 5 40 JGBB COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@H]3O[C@@H](C)[C@@H](O)[C@](C)(O)[C@@H]3O)ccc(O)c12 1996080 BJPYMDSMDBCKEP-HURHZEBWSA-N 496.512 3.063 5 40 JGBB in-vitro CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 19818359 QAEQZBKQQVTABL-VQTJNVASSA-N 452.467 3.096 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1ccc(OC)cc1 101176621 RREXMUYIVVADRV-NFFVHWSESA-N 474.517 3.232 5 40 JGBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCC1=O)c1cccc([N+](=O)[O-])c1 408647531 JKDHYAMRSCMULH-UHFFFAOYSA-N 450.234 3.291 5 40 JGBB COCCn1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nc2ccccc2c1=O 3493483 BZJSNUBYZVKSDP-CYBMUJFWSA-N 458.496 3.079 5 40 JGBB CCOCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 9350720 AOSWPMGFVWOZOG-ZJSXRUAMSA-N 462.506 3.188 5 40 JGBB biogenic COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC 9356444 HMUHHFZYPAUGAU-UHFFFAOYSA-N 485.518 3.385 5 40 JGBB CCOc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 46086724 RKOKXFJDHZKYDM-OAQYLSRUSA-N 470.526 3.283 5 40 JGBB CCCSc1nnc(NC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1 224396454 NARRWVFYSVTTPV-CYBMUJFWSA-N 459.575 3.132 5 40 JGBB Cc1ccc([C@H](CCC(=O)O)N2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)cc1 408608142 MTCXOQJGVDLHDL-FQEVSTJZSA-N 456.455 3.175 5 40 JGBB Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)[C@H]5CC=CC[C@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] 408673525 XFSGSTQKLYKWCC-ORYQWCPZSA-N 489.484 3.317 5 40 JGBB CC(C)(C)SCCNC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 408921706 VRVQJRQPDAJASA-UHFFFAOYSA-N 451.570 3.438 5 40 JGBB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)cc1 409139989 PLSUCWAAOBOLFU-AWEZNQCLSA-N 454.512 3.254 5 40 JGBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)NC2CCCCC2)n[nH]1 409153971 OEZLIGYZBUBTAA-SFHVURJKSA-N 460.560 3.381 5 40 JGBB CCOc1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1OCC 9468903 LDHAKWGKTQDLAN-UHFFFAOYSA-N 451.501 3.157 5 40 JGBB Cc1cc(C)cc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)c1 9488171 SQORGOSFASGLRC-ZZSKNEMNSA-N 478.505 3.019 5 40 JGBB COc1ccc(CN2CCN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)CC2)c(OC)c1OC 24002825 ZNUAFMPJVZAGSN-UHFFFAOYSA-N 461.540 3.301 5 40 JGBB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 245225310 RUDXZHXEFNHZKE-RBUKOAKNSA-N 460.556 3.085 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OCC 408738904 PUSHFNCGJFFTAV-FBHQFGEZSA-N 493.541 3.105 5 40 JGBB Cc1c(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 8768536 ISGXWCWHWWDFGC-UHFFFAOYSA-N 479.942 3.210 5 40 JGBB Cn1c(CCN2CCN(c3ccccn3)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 9009994 WEXNTOXJTMWJIY-UHFFFAOYSA-N 485.548 3.494 5 40 JGBB CC(=O)N1CCc2c(sc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)c2C(N)=O)C1 9639452 TUMRUDAQABSDQJ-UHFFFAOYSA-N 461.499 3.264 5 40 JGBB O=C(CSc1nnc(N2CCOCC2)n1C1CC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11367062 QMXWZLGDMRMNNQ-UHFFFAOYSA-N 472.449 3.107 5 40 JGBB CC(C)CNC(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 12542436 IUIAUIBNLJYMJB-UHFFFAOYSA-N 462.890 3.499 5 40 JGBB Cc1c(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cccc1[N+](=O)[O-] 14271624 JVYZQXTUJHVDPY-UHFFFAOYSA-N 469.567 3.335 5 40 JGBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC)CC3)cc2)cc1[N+](=O)[O-] 32125239 ACTCVLKLMOYGLY-UHFFFAOYSA-N 485.566 3.179 5 40 JGBB CC(C)COC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 408667910 UASYVIASBDKQJC-UHFFFAOYSA-N 471.466 3.308 5 40 JGBB O=c1/c(=C/c2ccc(Br)c([N+](=O)[O-])c2)sc2nc3cc(Br)cnc3n12 408720844 FMAFSPQFVYJNRM-QCDXTXTGSA-N 482.113 3.285 5 40 JGBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 409235034 NPKSXPPAJIWXFO-XDHOZWIPSA-N 489.444 3.322 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 12633912 CHCPVQVHMVLVBF-UHFFFAOYSA-N 490.582 3.489 5 40 JGBB CCCCOC(=O)c1cc([N+](=O)[O-])c(N2CCN(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 59489751 YJECKMBESDOLRK-UHFFFAOYSA-N 456.455 3.422 5 40 JGBB CCCCCn1/c(=N\C(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101171552 XMDGZBBVANYOKI-FAJYDZGRSA-N 473.533 3.461 5 40 JGBB CC1=C[C@@H]2[C@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N2c2ccccc21 103460810 CLGKSYUBPOAEEQ-IZFXNUPESA-N 487.512 3.232 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 408651653 NRYBSXDQAZWJDG-UHFFFAOYSA-N 474.385 3.039 5 40 JGBB Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 408685667 PTYKSOODLQPTMI-SFHVURJKSA-N 461.478 3.389 5 40 JGBB Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 408689498 YHWOWUWOTVHYAL-GOSISDBHSA-N 461.478 3.389 5 40 JGBB O=C1COc2ccc(C(=O)COC(=O)c3ccc(N4CCCCCC4)c([N+](=O)[O-])c3)cc2N1 9716272 MSTYGTRNEGUCJT-UHFFFAOYSA-N 453.451 3.346 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Cl)cc1 408641241 CBWHJVWUVSATSH-OALUTQOASA-N 467.865 3.440 5 40 JGBB CCn1c(CNC(=O)COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 409060079 SJSFAFDXXSHANV-UHFFFAOYSA-N 498.565 3.249 5 40 JGBB COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=NN23)cc1 9360134 HTTAJJBTILUYAS-XQUALCHDSA-N 496.479 3.365 5 40 JGBB O=C(NC(=S)Nc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22575019 RODIVWALZYLANV-UHFFFAOYSA-N 465.329 3.321 5 40 JGBB CC1CCN(c2nnc(SC[C@@H](O)COc3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)CC1 32888261 PBOMUAMRZHTUCH-ICSRJNTNSA-N 477.587 3.134 5 40 JGBB COc1ccc(CCn2c(=N)c(C(=O)NCC(C)C)cc3c(=O)n4cccc(C)c4nc32)cc1OC 101090715 ICQBPKNMXVHCTA-UHFFFAOYSA-N 489.576 3.083 5 40 JGBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)NCCc2ccccc2)n[nH]1 409154376 NVRVIGYUJNZGBW-FQEVSTJZSA-N 482.566 3.291 5 40 JGBB COc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)ccc1OC(F)F 12889665 LOZDPYSLWJMNSJ-UHFFFAOYSA-N 467.410 3.237 5 40 JGBB Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c2[N+](=O)[O-])c1[N+](=O)[O-] 73292436 YREWUMZAYZMEAP-UHFFFAOYSA-N 452.248 3.420 5 40 JGBB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222842399 PZRGQRAAFIQKRE-FQEVSTJZSA-N 473.526 3.323 5 40 JGBB CS(=O)(=O)N(CCCC(=O)NCc1ccc(CN2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 224532621 UPCYOGPNNPLUAE-UHFFFAOYSA-N 488.610 3.443 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]2C=CC=NN21 230029383 IEMYXSMWOYTNJU-MANSERQUSA-N 485.283 3.499 5 40 JGBB COc1ccc(NC(=O)CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn23)cc1OC 9240841 WHSGCDFGPURSHV-UHFFFAOYSA-N 466.479 3.448 5 40 JGBB O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1 9962590 UQTUISKZPVSMGO-UHFFFAOYSA-N 478.318 3.323 5 40 JGBB Cc1onc(C(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1Cn1cc([N+](=O)[O-])cn1 22715699 MFKZPYJWXVCMJU-UHFFFAOYSA-N 479.324 3.401 5 40 JGBB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 101203047 YRFSDQUPWNJDSA-DEQYAXRXSA-N 482.103 3.361 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3)N3N=Cc4ccccc4[C@H]3[C@@H]2C1=O 101344340 BMHBAANJEBYHQF-LWSSLDFYSA-N 495.495 3.421 5 40 JGBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OC 408564736 FNXDFSHFZSKXNK-JFOWBMAOSA-N 462.300 3.035 5 40 JGBB COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)ncn1 1772155 RZHGQZQEHISKSU-UHFFFAOYSA-N 463.859 3.100 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=CC=NN21 16039002 WORYSKVAVHYIQX-AKHDSKFASA-N 484.390 3.211 5 40 JGBB CC[C@H](C(=O)NCCOc1cccc2ccccc12)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223565330 FBSTXVTYLSAKSQ-OAQYLSRUSA-N 471.535 3.488 5 40 JGBB COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 8767688 NMSRJMKRCWRLNZ-QFIPXVFZSA-N 477.477 3.265 5 40 JGBB Cc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cccs2)cc1 9741939 QTXISMSXRUMHHD-LJQANCHMSA-N 466.562 3.458 5 40 JGBB CC(C)n1c(=O)sc2cc(NC(=O)[C@H](C)N(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)ccc21 225170870 IBXMHBBYEUUWQU-ZDUSSCGKSA-N 478.552 3.345 5 40 JGBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc2nc(O)[nH]c2cc1N1CCN(c2ccccc2)CC1 408532062 LVYXQSAIKJYPCB-UHFFFAOYSA-N 494.533 3.304 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3c(F)c(F)c(OC)c(F)c3F)CC2)c([N+](=O)[O-])c1 408573878 PQGFTTSNUJRUPH-UHFFFAOYSA-N 485.390 3.299 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1 408641862 DEXPADJCOZGTHN-SAWYMBPVSA-N 461.474 3.341 5 40 JGBB CCCC[C@H](C(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 408671323 ZCXUKBMHGILWFY-GOSISDBHSA-N 453.451 3.240 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408678090 COCDVIHNFPAJAD-AEFFLSMTSA-N 464.434 3.402 5 40 JGBB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1[N+](=O)[O-] 409146627 RSXIPEQATAJSHE-DEDYPNTBSA-N 498.517 3.115 5 40 JGBB COc1cc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(OC)c1OC 12361856 WOZFHLWBFUFMAO-NRFANRHFSA-N 473.507 3.216 5 40 JGBB COc1ccc(N2C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CC[C@@H](C)C[C@@H]43)C(=O)N=C2O)cc1 17014579 VIQRCMMTSGIJPY-UHXKVLTISA-N 464.478 3.238 5 40 JGBB COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c([N+](=O)[O-])cc1OC(F)F 24497160 UFWXRPWZRPZZRG-UHFFFAOYSA-N 463.437 3.098 5 40 JGBB CS(=O)(=O)c1ccc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c([N+](=O)[O-])c1 32841289 YNACDTVGVNQJIJ-LBPRGKRZSA-N 469.445 3.444 5 40 JGBB COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C(N(C)C)N(C)C 95682016 OWKNIKZRDBWISV-UHFFFAOYSA-N 457.399 3.018 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc2c3c(cccc13)CC2)S(C)(=O)=O 223883252 QKSWOBMABBLJKW-UHFFFAOYSA-N 455.492 3.260 5 40 JGBB CC(C)(C)OC(=O)NN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O 2150651 RSTAFMPVVFQLRI-UGKGYDQZSA-N 491.504 3.201 5 40 JGBB biogenic CC[C@@H](Sc1nnc(CCNC(=O)c2ccccc2F)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 9095875 KKWAFADUUWXOHW-GOSISDBHSA-N 486.529 3.344 5 40 JGBB C[C@@H](c1ccccc1)N1CCN(C(=O)COc2cc(NCCCC(=O)O)ccc2[N+](=O)[O-])CC1 12782793 PPHALMXDCBDFKP-SFHVURJKSA-N 470.526 3.156 5 40 JGBB O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20154294 DURLZKOSQXCPKF-UHFFFAOYSA-N 454.487 3.155 5 40 JGBB O=C(CSc1nnc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)s1)Nc1ccccc1 23141655 ZMGVMSNVJQZMLX-UHFFFAOYSA-N 484.563 3.140 5 40 JGBB CCN1CCN(C(=O)[C@H](C)OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 32865439 IKOAELRUPJZUAU-IBGZPJMESA-N 491.548 3.086 5 40 JGBB O=C(N[C@@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 33928838 DKARRXHRHDLABI-CFZJUORYSA-N 485.755 3.302 5 40 JGBB biogenic O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 102085098 XCHFDBDMOSTNOI-KLNNNFBISA-N 472.453 3.192 5 40 JGBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)c1C 408536477 ZSLDQWBMLFSIIG-OCKHKDLRSA-N 495.517 3.077 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 408673084 YLYXPSSIKJDMHN-LBPRGKRZSA-N 481.383 3.157 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)cc1 408676615 BAGBIBPFGXPDHJ-ICSRJNTNSA-N 477.473 3.185 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(F)cc1Br 9218473 SRFFKSFHDZAWLQ-UHFFFAOYSA-N 461.265 3.310 5 40 JGBB COc1ccc([C@@H]2SCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1OC 13382179 VMSWWRGAVUHNOM-SFHVURJKSA-N 469.497 3.265 5 40 JGBB Cc1onc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)c1Cn1cc([N+](=O)[O-])cn1 13961284 BJHDPNDSXMCLNN-UHFFFAOYSA-N 486.286 3.396 5 40 JGBB CC(C)(C)OC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1 40024911 GYRHKBAJGXLQAU-UHFFFAOYSA-N 468.576 3.217 5 40 JGBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1 40717390 OQRPVNNUQDSDDM-UHFFFAOYSA-N 495.580 3.378 5 40 JGBB C[C@@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C(=O)O[C@@H]1C2 64062057 JVEWLFXQCRLVCY-CSJJWKTESA-N 455.555 3.244 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2cc(Cl)ccc2OC)c1 138851585 QMNRNFOUHQTCBE-UHFFFAOYSA-N 465.846 3.166 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408686267 RFQUXXFTTMJDFA-VOBQZIQPSA-N 494.460 3.164 5 40 JGBB Nn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1Cl 409161140 WXMBNKILPVKPIC-UHFFFAOYSA-N 455.283 3.310 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)c([N+](=O)[O-])c1 9617154 XVXWLEQSFGYTNP-UHFFFAOYSA-N 486.506 3.180 5 40 JGBB COc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CCCOC(C)C)c2=N)cc1 101115392 PDPDALQGGLINNE-UHFFFAOYSA-N 489.576 3.191 5 40 JGBB Cc1onc(C(=O)Nc2ccc(Cn3cc(Br)cn3)cc2)c1Cn1cc([N+](=O)[O-])cn1 22743595 WPSYCRUOWQDIIW-UHFFFAOYSA-N 486.286 3.396 5 40 JGBB Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 25317015 XEMUCMXEMICPLU-UHFFFAOYSA-N 490.925 3.358 5 40 JGBB CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 57316405 DTLOVHPRBHVTRB-UHFFFAOYSA-N 469.567 3.416 5 40 JGBB COc1cccc(-c2csc(N3CCN(CC(=O)Nc4ccccc4[N+](=O)[O-])CC3)n2)c1 57688632 QFLXVIVOBGZQGE-UHFFFAOYSA-N 453.524 3.488 5 40 JGBB CCCn1/c(=N\C(=O)c2ccc3c(c2)OCO3)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101251196 YHIWJTFBIDSEHK-NFFVHWSESA-N 488.500 3.014 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O 248092786 HILNBSFOFBPYJF-LUCIHVKJSA-N 480.908 3.296 5 40 JGBB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 409061123 VSULXZAQRZKJSW-UHFFFAOYSA-N 468.539 3.484 5 40 JGBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(C)cc1C 409133702 MNDWMIQNOXLGQG-UHFFFAOYSA-N 468.539 3.484 5 40 JGBB O=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 2637923 FDLRIZIITMOZDQ-UHFFFAOYSA-N 458.408 3.187 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 8435218 HDKLUJPESZOVSC-YWFITGJYSA-N 483.933 3.360 5 40 JGBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2[C@H](C)O1 9450051 AALPIVGVOKXZLY-RQOZVNRLSA-N 484.896 3.056 5 40 JGBB COc1cc(OC)cc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 16194901 HRPXDSUJIDSFFT-UHFFFAOYSA-N 464.931 3.102 5 40 JGBB COc1ccc(C(=O)NC(=S)Nc2ccc(I)c(C)n2)cc1[N+](=O)[O-] 16249912 RVBUJIKJZVGTLD-UHFFFAOYSA-N 472.264 3.038 5 40 JGBB O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(Br)c1 20410908 ZZAUGHKYFHZLMD-UHFFFAOYSA-N 465.329 3.321 5 40 JGBB C[C@H](OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 20789171 SWFJEXSAFYRREB-JTQLQIEISA-N 484.690 3.311 5 40 JGBB CCOCCCn1/c(=N\C(=O)c2cccs2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101139524 KDYCSEDUPIWCDQ-QYQHSDTDSA-N 494.573 3.364 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC=C(C)C[C@H]3C2=O)cc1 408656926 SYXWRCKYWQRXJM-LEWJYISDSA-N 477.473 3.185 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408686265 RFQUXXFTTMJDFA-JSNMRZPZSA-N 494.460 3.164 5 40 JGBB O=C(OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1)c1cccc([N+](=O)[O-])c1 977414 MDGAWMKFLSBROQ-UHFFFAOYSA-N 451.460 3.407 5 40 JGBB O=C(CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1)Nc1nc2c(s1)CCCC2 9379418 XTHFQZHAABJOHG-UHFFFAOYSA-N 491.551 3.052 5 40 JGBB COC[C@H](C)NS(=O)(=O)c1ccc(N2CCN(c3cc(Cl)ccc3C)CC2)c([N+](=O)[O-])c1 15164296 VVQGINLWWBENBJ-INIZCTEOSA-N 482.990 3.196 5 40 JGBB COCCNc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1[N+](=O)[O-] 36437599 WIXGJMIUZNWLAR-UHFFFAOYSA-N 488.566 3.031 5 40 JGBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408663236 YHSFLXDTZPJYKL-LATRNWQMSA-N 479.876 3.295 5 40 JGBB CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 408666146 GGGLHQJRWSNAHP-AWEZNQCLSA-N 490.310 3.455 5 40 JGBB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9282818 DMGDOKXJFVIDPR-UHFFFAOYSA-N 488.566 3.248 5 40 JGBB O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1 20428675 SXTZMVKECAUMJG-UHFFFAOYSA-N 484.862 3.465 5 40 JGBB CCn1c(=O)n(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2ccccc21 24696007 HZQJQQVAPIOEBN-UHFFFAOYSA-N 491.470 3.489 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N\C(=O)c1ccc(C)c(C)c1 31936737 BLOYCQSTGWCHLT-OLFWJLLRSA-N 488.544 3.139 5 40 JGBB CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 62595321 QTAHBZBQTITEML-KRWDZBQOSA-N 499.543 3.441 5 40 JGBB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408672854 XNURGFNLBCEBKL-SFHVURJKSA-N 497.504 3.395 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408684836 OFNUETFYLXMJOZ-HKUYNNGSSA-N 492.444 3.084 5 40 JGBB CCn1c(SCC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccco1 9508958 PLZICYNFXIHYOL-UHFFFAOYSA-N 456.440 3.352 5 40 JGBB Cc1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 10860819 DKCVABXTGAJTHO-LJQANCHMSA-N 453.451 3.096 5 40 JGBB O=C(NC(=S)Nc1cccc(Br)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14269614 TXOPOIUZGWJGFK-UHFFFAOYSA-N 465.329 3.321 5 40 JGBB Cc1cc(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)n1-c1nccs1 16051212 BQSZBRSDMNEDGS-UHFFFAOYSA-N 470.507 3.335 5 40 JGBB O=C(N[C@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 43751619 DKARRXHRHDLABI-BBEJJTJUSA-N 485.755 3.302 5 40 JGBB biogenic C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408652021 NXQZMUCTCZVASE-AYBQMASMSA-N 461.474 3.255 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408683132 KMAGPIHJUFOZAV-JSNMRZPZSA-N 466.450 3.482 5 40 JGBB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)cc1[N+](=O)[O-] 3593422 IDZSIFBGTDTGBM-IBGZPJMESA-N 461.272 3.071 5 40 JGBB O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 9285199 ODTCRRVDXYHJNQ-UHFFFAOYSA-N 457.505 3.099 5 40 JGBB COc1ccc(S(=O)(=O)N(C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 9465667 ILHQLQUCPMWZQA-UHFFFAOYSA-N 499.748 3.029 5 40 JGBB COc1ccc2[nH]cc(CCn3c(C)c4c(=O)n(-c5ccc([N+](=O)[O-])cc5)[nH]c4cc3=O)c2c1 12388877 XRDCUHVSBYMHFA-UHFFFAOYSA-N 459.462 3.430 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(C)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408640448 AZYVEYGVCUMBHJ-NHCUHLMSSA-N 461.474 3.485 5 40 JGBB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 408665652 VHEZEIXOJATISA-UHFFFAOYSA-N 471.466 3.371 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409161299 MTRJLULODLFZNL-FNUHDPNESA-N 477.542 3.323 5 40 JGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 12785165 HFLHEMPLZMLFIQ-ZDUSSCGKSA-N 477.447 3.487 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/C=C\c3ccccc3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 13573557 SASHCWWFWKGBAE-GIWHKTODSA-N 475.526 3.372 5 40 JGBB COc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] 16227682 VBFVXWYVFOGWJI-UHFFFAOYSA-N 479.902 3.002 5 40 JGBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@H]3C2=O)cc1[N+](=O)[O-] 248001326 SYYYISVJFAHUOC-AVDZWTPASA-N 480.908 3.296 5 40 JGBB CN(C)CCCNC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 1793468 MHHSVMIBZSGQAP-RGEXLXHISA-N 475.343 3.196 5 40 JGBB CC(=O)N1CCN(c2ccc(Oc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])cc2)CC1 9129461 FHEPYMUYVXHHOM-UHFFFAOYSA-N 488.566 3.230 5 40 JGBB CCOC(=O)c1cc(C)sc1NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619359 UTHIBZWJONBBSY-UHFFFAOYSA-N 452.452 3.498 5 40 JGBB O=C(Nc1ncc(Br)s1)C12C[C@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 101112799 HGEWAASUNMOIOQ-DCYIXLHKSA-N 453.322 3.340 5 40 JGBB CCOCCCn1/c(=N\C(=O)c2ccccc2C)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101136877 FPJZMNMDNXQCHH-OLFWJLLRSA-N 488.544 3.302 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=CC=NN21 103534238 WORYSKVAVHYIQX-NCXUSEDFSA-N 484.390 3.211 5 40 JGBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224355890 DZERITHUHBMWMM-UHFFFAOYSA-N 493.607 3.198 5 40 JGBB O=C(O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O 408593711 RBKFEXLCMNMFEZ-VIZOYTHASA-N 466.233 3.458 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408689023 XPQORONMZNZDBP-RTBURBONSA-N 464.434 3.402 5 40 JGBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)o2)c([N+](=O)[O-])cc1C 409358311 LCWOPDITDNTVIK-ODLFYWEKSA-N 471.491 3.367 5 40 JGBB COc1ccc(OC)c(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)cnc32)c1 2253331 IQTRVVNVYJTVHY-INIZCTEOSA-N 457.490 3.480 5 40 JGBB COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2)cn1 3384540 DOXMQQKLCIUDQE-UHFFFAOYSA-N 458.452 3.060 5 40 JGBB COc1cc(C(=O)OCC(=O)Nc2ccc(Br)cc2F)c([N+](=O)[O-])cc1OC 3447990 QSCUGLZXVTWIGL-UHFFFAOYSA-N 457.208 3.309 5 40 JGBB C[C@@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCCCN1CCCC1=O 8792358 QXKRKTZLUCYMDB-QGZVFWFLSA-N 482.540 3.488 5 40 JGBB biogenic O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 22746312 DEWQLZJNPLKTFC-UHFFFAOYSA-N 488.507 3.076 5 40 JGBB CCOc1c(Br)cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC 408565406 KJIPXVNCOBNORD-ZEDFQPKGSA-N 476.327 3.425 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)c1 408655033 CMCBCKNBRUEEHM-NIKGAXFTSA-N 495.488 3.325 5 40 JGBB CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 6600502 GWKPPSJTEQRNQM-UHFFFAOYSA-N 461.452 3.129 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cc(OC)cc(OC)c1 103001092 DRUDEJBADSRKLO-WEMUOSSPSA-N 490.516 3.165 5 40 JGBB C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 222661987 FILIOKGZXAASGP-QGZVFWFLSA-N 497.529 3.439 5 40 JGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(F)cc1 408681719 IKVMXEORSJDJRB-IRXDYDNUSA-N 453.426 3.149 5 40 JGBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc(C)c1 409122619 AISAWPVREJTFKG-UHFFFAOYSA-N 454.512 3.175 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1c3ccccc3C=NN1[C@H]2C(=O)Nc1ccccc1 9280888 BMHBAANJEBYHQF-NAVOZUGXSA-N 495.495 3.421 5 40 JGBB CCOC(=O)C1=C(COC(=O)CSc2ccccc2[N+](=O)[O-])NC(=O)N[C@H]1c1cccs1 10960226 DTJWCVQZTVLCMC-SFHVURJKSA-N 477.520 3.163 5 40 JGBB Cc1ccc2nc3c(cc(C(=O)N[C@@H](C)c4ccccc4)c(=N)n3C[C@H]3CCCO3)c(=O)n2c1 100809894 JDVUJVYSVMTVON-PKOBYXMFSA-N 457.534 3.107 5 40 JGBB COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 100961662 HRZYQCWAWVJHII-BDTNDASRSA-N 473.441 3.433 5 40 JGBB Cc1cccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 223525467 SHOBULWTVHSQOY-UHFFFAOYSA-N 469.519 3.294 5 40 JGBB O=C(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 408672882 OTRRKBHVQSHHFL-SNDHGLFQSA-N 453.454 3.426 5 40 JGBB COc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OC 409368494 YTAQQLQJLUUASE-UHFFFAOYSA-N 471.203 3.256 5 40 JGBB CCCC12CN(C(=O)c3ccc([N+](=O)[O-])cc3)CC(C)(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C1)C2=O 2229488 AMFOFPCQIBGCEB-UHFFFAOYSA-N 494.504 3.477 5 40 JGBB COc1ccccc1CCNC(=O)CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn12 9829075 NMJPJDQARMWUJC-UHFFFAOYSA-N 464.507 3.159 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1nc(-c2cccnc2)nc2ccccc12 12645160 NDRRKYIHQYXUQC-UHFFFAOYSA-N 493.501 3.413 5 40 JGBB COc1cc(N2C[C@@H](C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)CC2=O)cc(OC)c1OC 44790723 FFSVNKZMKHMWNY-NSHDSACASA-N 472.479 3.222 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1C 62647239 MUKPIAYFBMJJHU-MRXNPFEDSA-N 480.974 3.199 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408647509 JJURMGMBCPHNBX-DLBZAZTESA-N 453.476 3.238 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 408657066 TZOWMMAOBKIFAH-ACWOFJMJSA-N 453.476 3.094 5 40 JGBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c2=O)=N1 409031942 BRYYOQSQZRUAJN-CNSVBDKNSA-N 463.515 3.015 5 40 JGBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)Nc2ccccc2Br)cc1[N+](=O)[O-] 3240233 HHWKHCKNUBMJIZ-UHFFFAOYSA-N 492.311 3.433 5 40 JGBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2)C1 9373020 USRZSKGLCKEYSR-HZPDHXFCSA-N 460.508 3.301 5 40 JGBB Cc1c(Cl)c(=O)oc2cc(OC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)ccc12 9390550 DDVHJVZIRNKLHB-UHFFFAOYSA-N 456.794 3.255 5 40 JGBB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9669680 OAIJIZNIDVKXQU-UHFFFAOYSA-N 488.566 3.248 5 40 JGBB CCS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)c2nc3ccc([N+](=O)[O-])cc3s2)c1 9707945 JNQXRTOYJPCEDQ-UHFFFAOYSA-N 462.553 3.207 5 40 JGBB CCc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 14269205 YKPOYUMUNSPDOM-UHFFFAOYSA-N 472.552 3.308 5 40 JGBB COc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1OC 57470957 TWCDILXXSPEVEG-MRXNPFEDSA-N 465.510 3.309 5 40 JGBB O=C(NCc1cccnc1)C1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 70006779 FLTAWRANZUYFPH-UHFFFAOYSA-N 479.459 3.366 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408683812 MFVDWMXHIVDKHO-VOBQZIQPSA-N 494.460 3.164 5 40 JGBB Cc1cc(I)ccc1NC(=O)Cn1cc(Br)c([N+](=O)[O-])n1 1066027 GZMKQNUQDUGUPM-UHFFFAOYSA-N 465.045 3.106 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl 1801956 VLTBOSORFMRMQE-SQWSFHKJSA-N 483.933 3.360 5 40 JGBB CC1CCN(Cc2nc(N3CCN(c4c([N+](=O)[O-])ncn4C)CC3)c3c4c(sc3n2)CCC4)CC1 9201923 MBUUOXACUPMFIB-UHFFFAOYSA-N 496.641 3.380 5 40 JGBB COC(=O)c1nn(-c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] 9597975 ZGEQRHXYVQEMQN-UHFFFAOYSA-N 453.333 3.060 5 40 JGBB CC(=O)N1CCN(c2ccc(C(=O)NCc3ccccc3OC(F)(F)F)cc2[N+](=O)[O-])CC1 12597879 LHQOLKTVUKNYJZ-UHFFFAOYSA-N 466.416 3.092 5 40 JGBB COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 40150055 QHAMGINTEZAUJU-LJQANCHMSA-N 462.890 3.321 5 40 JGBB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=NN32)cc1 103531584 HTTAJJBTILUYAS-CJRSTVEYSA-N 496.479 3.365 5 40 JGBB O=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 837608 MDCFUKOEKAXYTP-NSHDSACASA-N 451.220 3.191 5 40 JGBB COc1ccc(CNC(=O)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)cc1 9762875 XNGZKLFTRSTWKP-FQEVSTJZSA-N 455.854 3.159 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Br)cc1F)S(C)(=O)=O 10333660 LBWAKFLVNSDGPW-UHFFFAOYSA-N 460.281 3.210 5 40 JGBB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc2)C[C@@H](C)O1 14330773 IYDYIDDJSUHETJ-GASCZTMLSA-N 481.958 3.318 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3c(C)oc(C)c3C)CC2)c([N+](=O)[O-])c1 25384613 CFYGABZGQNZZAS-UHFFFAOYSA-N 478.571 3.106 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCN(CCOc3cccc(Br)c3)CC2)cc1[N+](=O)[O-] 40158387 GDOROGUZWIXCBR-UHFFFAOYSA-N 484.372 3.051 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408655918 SFOWFGADDJHHDA-XYPHTWIQSA-N 455.492 3.318 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408661630 XMDCVMRRGLKGOM-VOBQZIQPSA-N 467.453 3.395 5 40 JGBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)NC2CCCCC2)n1C 409139187 BBDKFVFIEWMQDS-IBGZPJMESA-N 474.587 3.391 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)N(CC)CC)ccc12 645023 CQXIRTZEJOJVDH-UHFFFAOYSA-N 466.581 3.007 5 40 JGBB O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 8691679 IHBNFJKYLUBWKS-FPYGCLRLSA-N 456.930 3.447 5 40 JGBB COCCNc1cc(N2CCN(C(=O)c3ccccc3Br)CC2)ccc1[N+](=O)[O-] 8741371 FNGLUGDXABGEJF-UHFFFAOYSA-N 463.332 3.378 5 40 JGBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 25921350 ZWNORLZHBJHJAB-UHFFFAOYSA-N 469.494 3.159 5 40 JGBB Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2O)nnc1-c1cc(Br)ccc1O 408545514 ZKJBDDFOQIIZCY-UHFFFAOYSA-N 480.300 3.295 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408680347 GDOGNHZSTDYFAW-UAOJZALGSA-N 467.453 3.395 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 408686583 RZYYEWQGFJJTSF-LXGCGDOSSA-N 464.434 3.258 5 40 JGBB Cn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409340646 AKXUOKMCEZWZFE-IZZDOVSWSA-N 486.941 3.437 5 40 JGBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 9283242 OVUAALANPVAHPU-UHFFFAOYSA-N 497.500 3.463 5 40 JGBB O=C(Oc1coc(CSc2nnc(NC(=O)C3CC3)s2)cc1=O)c1cccc([N+](=O)[O-])c1 15391454 KJHOHTWCLMPTFQ-UHFFFAOYSA-N 474.476 3.260 5 40 JGBB CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1[N+](=O)[O-] 35086064 SHZDBAHAJQOYMB-UHFFFAOYSA-N 493.929 3.392 5 40 JGBB COc1ccc(CCn2c(=N)c(C(=O)NC3CCCCC3)cc3c(=O)n4ccccc4nc32)cc1 101039060 FQZXLEUPQFECLL-UHFFFAOYSA-N 471.561 3.442 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C(=O)c3ccccc3)C(=O)[C@H]21 408655324 ROCXPRMRTWOGEL-RFZJPIJTSA-N 461.474 3.421 5 40 JGBB CCOC(=O)c1sc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)nc1C 9064788 ICBLMACAOUSKFK-UHFFFAOYSA-N 463.541 3.263 5 40 JGBB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 9883053 TWMQNJSXIQAOEC-ZQNFCJTASA-N 495.410 3.322 5 40 JGBB O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCN(Cc2ccccc2)CC1 17358073 XLENXAGFUNGFHR-UHFFFAOYSA-N 480.546 3.354 5 40 JGBB COC(=O)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 100961665 HRZYQCWAWVJHII-FKBYEOEOSA-N 473.441 3.433 5 40 JGBB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC 225822660 AYPQVTPJLVNGHM-UHFFFAOYSA-N 477.539 3.358 5 40 JGBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 408647461 JGZBEZSQJLXTOY-FDLLNDLWSA-N 485.496 3.277 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(C)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408682113 IXDOOGPOWVMJLS-LEWJYISDSA-N 461.474 3.485 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408683133 KMAGPIHJUFOZAV-UAOJZALGSA-N 466.450 3.482 5 40 JGBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Cl)c2=O)=N1 409046874 SCTAKZTVENCZAA-SQWSFHKJSA-N 483.933 3.360 5 40 JGBB CCCCn1c(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])nc2cc(S(N)(=O)=O)ccc21 9988250 JUNGSKVFGJJVKJ-UHFFFAOYSA-N 481.531 3.262 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 23861391 WMJSNQCNKHSOFG-GFCCVEGCSA-N 470.404 3.400 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1 408652781 CWWKNBIJNLQHBD-UHFFFAOYSA-N 481.461 3.328 5 40 JGBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)NC(=O)NC(C)(C)C)n1 3389373 COOUSQMAOHFIAN-UHFFFAOYSA-N 452.514 3.292 5 40 JGBB COc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)cc1OC 1362896 ONYXRSLJEPNTQH-HNNXBMFYSA-N 474.495 3.230 5 40 JGBB O=C(CSc1cccc[n+]1[O-])Nc1c(Br)cc([N+](=O)[O-])cc1Br 9403428 KUOBAYCAKMRTMI-UHFFFAOYSA-N 463.107 3.484 5 40 JGBB COc1ccc([C@H](CC(C)C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 44899943 NHRHYDXSHJIWLG-IBGZPJMESA-N 479.555 3.282 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccc(C)c([N+](=O)[O-])c1 103001089 KXPZRSLSNIQWPT-HPNDGRJYSA-N 489.488 3.365 5 40 JGBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)cc1 223154670 LQVYVYHSETZPPN-GOTSBHOMSA-N 478.578 3.085 5 40 JGBB CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225514836 MPPRYLKNEZMKJG-MRXNPFEDSA-N 489.472 3.483 5 40 JGBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])c(Br)cc1OC 408564407 CQDNUNCVLDSYNX-JBZDTAIVSA-N 476.327 3.378 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 1801542 OZIODIWMKNRWLJ-ZMUHTPIZSA-N 483.933 3.360 5 40 JGBB CCOc1c(Br)cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC 408566834 PHMOABMQZGYQON-LPLGYCIKSA-N 476.327 3.378 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(=O)N1CCCCCC1)S(C)(=O)=O 10313899 MZOSMQNPXQNMIU-UHFFFAOYSA-N 488.566 3.324 5 40 JGBB CC(=O)Nc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 12364371 BRHJQBKANWMPLG-UHFFFAOYSA-N 468.491 3.387 5 40 JGBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)cc1[N+](=O)[O-] 13424056 BEOSRYBTSUEFNT-MTJSOVHGSA-N 493.522 3.441 5 40 JGBB O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 32994639 QQRGPAAUBMFPQU-UHFFFAOYSA-N 481.486 3.370 5 40 JGBB COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)cc1 216404980 CEXFSFXINSXYIW-UHFFFAOYSA-N 477.520 3.346 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 408658085 USVXMLBDTRFGRD-RBQRDFNRSA-N 477.473 3.041 5 40 JGBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)NCc2ccccc2)n[nH]1 409156596 KSYWMOQGIQAQSZ-LJQANCHMSA-N 468.539 3.249 5 40 JGBB CCOCCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409176083 GVKQFLUDIKQKBB-UHFFFAOYSA-N 499.973 3.303 5 40 JGBB CCOCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O 2113837 AOSWPMGFVWOZOG-URXFXBBRSA-N 462.506 3.188 5 40 JGBB biogenic CCOC(=O)c1c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc(C(=O)OC)c1C 8901299 INQSILSZCDIFSV-UHFFFAOYSA-N 477.495 3.017 5 40 JGBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)O 9235244 YZGDQWMKIBNAIW-VXLYETTFSA-N 486.458 3.376 5 40 JGBB COc1cc(OC)cc(-c2nc(S/C(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)C(=O)O)n[nH]2)c1 408631889 GYILGGHIUMEWFH-UUASQNMZSA-N 489.422 3.229 5 40 JGBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl 19203604 BLHFSXGYKXYAMG-CQSZACIVSA-N 450.710 3.312 5 40 JGBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 62613641 ZZXPRLFBYAMLCT-UHFFFAOYSA-N 481.578 3.464 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1cccc(C(F)(F)F)c1)S(C)(=O)=O 224952765 DYRHWELKTXFEKI-ZDUSSCGKSA-N 459.446 3.393 5 40 JGBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)NCCc2ccccc2)n1C 409145469 QJEPJCVLEUQVHH-OAQYLSRUSA-N 496.593 3.301 5 40 JGBB Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(=S)n1C 409164915 POVIEZOUHXCWOX-UHFFFAOYSA-N 454.512 3.045 5 40 JGBB CCOC(=O)c1ccsc1NC(=O)[C@@H](CC(C)C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 3443582 LGXRWXOUPDJTRH-OAHLLOKOSA-N 459.480 3.482 5 40 JGBB CCOC(=O)C1CCN([C@@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(CC)nn3c2O)CC1 15391747 ZKUBYGIPFSEXMR-KRWDZBQOSA-N 459.528 3.332 5 40 JGBB O=C(c1ccco1)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 103559819 ZYKKMTQQEOTIMY-YJMBLLCNSA-N 455.426 3.461 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1nnc(SCc2ccccc2)s1)S(C)(=O)=O 223456591 PKDXENGWLCYKBQ-UHFFFAOYSA-N 493.592 3.452 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@H]21 408666660 RLRKTYHRGRQJAJ-RFVSGWPVSA-N 463.446 3.092 5 40 JGBB CC(C)OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408670277 ZENQUJIUAHKSDI-UHFFFAOYSA-N 471.466 3.451 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3CC=C(C)C[C@H]3C2=O)c1 408688125 VUFUVFRNZGQDBW-AZUAARDMSA-N 477.473 3.185 5 40 JGBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1 409123612 HQNQLUOVKSGEDH-UHFFFAOYSA-N 471.491 3.446 5 40 JGBB O=[N+]([O-])c1ccccc1S(=O)(=O)N(c1ccc(F)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-] 2759499 UJIAFIOSHYPOKZ-UHFFFAOYSA-N 499.429 3.365 5 40 JGBB Cc1cccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)c1C 9430898 YCCGVXCMFMUAAV-UPASOKJJSA-N 478.505 3.019 5 40 JGBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 16035240 RSMMQWYWDHQFQF-AFXVXQJMSA-N 466.453 3.356 5 40 JGBB C[C@@H](OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 20789168 SWFJEXSAFYRREB-SNVBAGLBSA-N 484.690 3.311 5 40 JGBB COc1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2)cc1 21873548 GULIHNSLIRHPBF-UHFFFAOYSA-N 471.491 3.343 5 40 JGBB CN1CCN(S(=O)(=O)c2ccc(NCc3cc4cc(F)ccc4s3)c([N+](=O)[O-])c2)CC1 40135309 DAYNNRIJQAEXBB-UHFFFAOYSA-N 464.544 3.497 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 408690166 ZWDLJMAAUSQKHO-XMCHAPAWSA-N 464.434 3.258 5 40 JGBB O=C(COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)Nc1cc([N+](=O)[O-])ccc1F 3352429 KYZAWTPGMMCJMY-UHFFFAOYSA-N 462.393 3.229 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c(C)c1 9223574 DBYFIWALPFFCQG-UHFFFAOYSA-N 485.522 3.301 5 40 JGBB Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1C 13076354 DUFUPZWLCMLWAZ-UHFFFAOYSA-N 457.458 3.385 5 40 JGBB Cn1cnnc1Sc1ccc(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1[N+](=O)[O-] 18236846 SQXKJPKEDJIUJC-SFHVURJKSA-N 467.486 3.267 5 40 JGBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccccc3)c2=N)cc1 100297284 QKHLVDSBGADEIH-UHFFFAOYSA-N 456.527 3.318 5 40 JGBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1 408669421 VZBJAJJZGOHYFO-RTBURBONSA-N 451.435 3.070 5 40 JGBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 13896901 RAEQPQKRSAYAGA-UHFFFAOYSA-N 484.512 3.125 5 40 JGBB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)CC1 14276809 QPTRZDGCNCGETG-UHFFFAOYSA-N 485.566 3.179 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 222408034 UNINJUMDLVLZPJ-SEGIPQOZSA-N 487.512 3.206 5 40 JGBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222649186 BSEHSDIHLBBMRQ-IBGZPJMESA-N 461.490 3.453 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCc1ccc(Cl)cc1)S(C)(=O)=O 224830759 ZLLLRZVFEQZGLI-UHFFFAOYSA-N 469.947 3.162 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408686266 RFQUXXFTTMJDFA-UAOJZALGSA-N 494.460 3.164 5 40 JGBB O=C(NCCc1cc([N+](=O)[O-])c(CCNC(=O)c2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 3845575 CNKUJDLVBYILMB-UHFFFAOYSA-N 462.462 3.448 5 40 JGBB biogenic Cc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1[N+](=O)[O-] 14273767 UJOQVDAEJJUPKB-UHFFFAOYSA-N 474.411 3.436 5 40 JGBB Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCCN21 16010155 SNEZOXROAPVRQK-UAKAABGRSA-N 480.908 3.296 5 40 JGBB COC(=O)c1ccc(/C=C(/c2ccc([N+](=O)[O-])o2)S(=O)(=O)c2ccc(NC(C)=O)cc2)o1 31759558 JWZVKXBMKRDFNU-WQRHYEAKSA-N 460.420 3.498 5 40 JGBB O=C(NC(=S)Nc1c(Cl)ccc2nsnc12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 57313280 MOMVALWMZFTGFH-UHFFFAOYSA-N 478.943 3.216 5 40 JGBB CC[C@@H](C(=O)NCc1cccc(CN2CCCCC2)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224692214 RXMCKJZORZCOAH-QHCPKHFHSA-N 488.610 3.442 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408686310 RMMPELLCXWSKEK-UWWQBHOKSA-N 466.450 3.482 5 40 JGBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1 409241133 RLPYSMDMHCDLFB-IDUWFGFVSA-N 457.420 3.007 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)NCc2ccccc2F)c1 12552572 VNECIRAKCGYMCO-UHFFFAOYSA-N 459.455 3.473 5 40 JGBB CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3[N+](=O)[O-])co2)s1 15391436 KALAUIRLHFQXTH-UHFFFAOYSA-N 462.465 3.260 5 40 JGBB O=C1Nc2cc(C(F)(F)F)ccc2S[C@@H]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 62595040 JCXODJILJVFFCB-MRXNPFEDSA-N 481.456 3.160 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1ccc(F)cc1 101084486 JIQCMNBBQRHDDF-FAJYDZGRSA-N 492.507 3.051 5 40 JGBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1[N+](=O)[O-] 104066752 SYYYISVJFAHUOC-SYSFZUQMSA-N 480.908 3.296 5 40 JGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 2088193 RYEYZQCSDVMWJP-GFULKKFKSA-N 450.451 3.291 5 40 JGBB CO[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 4963905 MPAYVFMSSYJEOW-HAFFEQERSA-N 460.395 3.035 5 40 JGBB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nn12 10010350 GIZJTFCVQXFRIJ-UHFFFAOYSA-N 454.468 3.350 5 40 JGBB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 20153206 SSMZVRZLNSGPFL-UHFFFAOYSA-N 458.496 3.419 5 40 JGBB Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c([N+](=O)[O-])c1 89626387 LPKWCPRZOOIWKJ-UHFFFAOYSA-N 468.535 3.001 5 40 JGBB Cc1ccccc1OCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223525649 KMMMZBRCBDFHTI-UHFFFAOYSA-N 469.519 3.294 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2)n1C 409124800 CPTDAARUUJJASS-AWEZNQCLSA-N 454.512 3.254 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccccc1 9222369 HEBAQWNZVRVTBI-RHBUKLTISA-N 486.528 3.054 5 40 JGBB CCOC(=O)C1=C(CN2CCN(c3ccccc3Cl)CC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 67286375 VWQVMJICVOIYBG-JOCHJYFZSA-N 499.955 3.242 5 40 JGBB Cc1cc(C)cc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@H]43)C2=O)c1 102780802 SQORGOSFASGLRC-VLARDLDMSA-N 478.505 3.019 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O 408663663 BAMWGVIEVRYBSU-LLVKDONJSA-N 482.276 3.445 5 40 JGBB CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 408671451 YCZOICMLTILERD-GOSISDBHSA-N 497.504 3.477 5 40 JGBB CCOCCCn1/c(=N/C(=O)c2cccs2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 13776568 KDYCSEDUPIWCDQ-HPNDGRJYSA-N 494.573 3.364 5 40 JGBB O=C(c1ccccc1)c1ccc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 33477460 NKEITSRPOCLOBB-UHFFFAOYSA-N 469.494 3.476 5 40 JGBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 109032790 OVIRTDGWTGSKPD-PASDCYSWSA-N 456.499 3.277 5 40 JGBB N=C1NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(Br)c2)S1 408766891 UIOVWTOQHVRGQI-AUWJEWJLSA-N 484.309 3.264 5 40 JGBB O=C(CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N(C1CCCCC1)C1CCCCC1 13031942 UUWCOLRPDYOBLN-UHFFFAOYSA-N 492.642 3.395 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 18174458 STAXOUKEYYUHEX-UHFFFAOYSA-N 479.534 3.119 5 40 JGBB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 20009011 LAJZGXIMYHIFOV-OAQYLSRUSA-N 469.519 3.440 5 40 JGBB O=C(Cn1nc2n(c1=O)CCCCC2)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 24972401 VCHURLUTLRGFME-NRFANRHFSA-N 499.911 3.256 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 408688310 VYESZXQSDRFQSD-YMTYPPQLSA-N 465.437 3.171 5 40 JGBB Cn1c(=O)c2c(-c3cc([N+](=O)[O-])ccc3Br)n(-c3ccccc3O)cc2n(C)c1=O 8741153 YJIWKAGWXGSDCH-UHFFFAOYSA-N 471.267 3.071 5 40 JGBB CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 138745515 GBHJCMCJGAGUMJ-GOSISDBHSA-N 497.504 3.395 5 40 JGBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OC 408565109 HRJXYVUXFNCINM-NQZBTDCJSA-N 476.327 3.378 5 40 JGBB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21 25051981 OPGCGWQJDXWETK-UHFFFAOYSA-N 487.538 3.157 5 40 JGBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NCCS(=O)(=O)Cc3ccccc3)c([N+](=O)[O-])c2)C1 32916240 NZJCYPSERPGWDQ-QZTJIDSGSA-N 495.623 3.288 5 40 JGBB O=C(N[C@@H](N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 33928840 DKARRXHRHDLABI-UHYGZKCKSA-N 485.755 3.302 5 40 JGBB biogenic O=C(Nc1ccccn1)[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 40149358 RUDDWZPRRHQYNB-LBPRGKRZSA-N 458.418 3.138 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccc([N+](=O)[O-])cc1 103001047 QXFUCRUWSJSLKH-YYADALCUSA-N 475.461 3.056 5 40 JGBB CC[C@@H](C)Oc1c(OC)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1[N+](=O)[O-] 107648407 VADXMECHCPTEBK-PWDRSIHYSA-N 473.438 3.253 5 40 JGBB CC[C@@H](C(=O)NCc1ccc(CN2CCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224511549 JCEPIEDVHZNTGR-QFIPXVFZSA-N 474.583 3.052 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408873286 SGHTVYFUVQBMIY-JKALPCAWSA-N 498.948 3.381 5 40 JGBB COc1ccccc1[C@H](Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1nccn1C 12550900 NNLNZKJENXHQFF-NRFANRHFSA-N 471.539 3.323 5 40 JGBB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22716066 KFUWXSGEKDKKRP-UHFFFAOYSA-N 479.522 3.467 5 40 JGBB COc1ccc(OC)c2sc(N(CCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])s3)nc12 22998648 RBWGQKLLUJQWGK-UHFFFAOYSA-N 478.552 3.262 5 40 JGBB COc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1 108247043 LLKFJFCLUXCFEG-AWEZNQCLSA-N 484.538 3.262 5 40 JGBB O=[N+]([O-])c1ccc([C@H]2c3c(-c4ccc(Br)cc4)nnc(O)c3Nc3nnnn32)cc1 112000261 TVPZIOMXWUNCFE-INIZCTEOSA-N 467.243 3.201 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 138619109 SZQCQWKDHPAQFJ-LSBZLQRGSA-N 467.453 3.395 5 40 JGBB O=C(COc1ccccc1)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16490644 SFPLKAFKMUVTOX-UHFFFAOYSA-N 468.457 3.216 5 40 JGBB CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)cc([N+](=O)[O-])c1O 35579347 FOSFXGAXRZJFNE-LJQANCHMSA-N 466.454 3.227 5 40 JGBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O 40399122 HBSPYHTWVXVDFK-UHFFFAOYSA-N 469.501 3.152 5 40 JGBB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 2664181 TUUCPOZGXHOPLA-UHFFFAOYSA-N 464.496 3.100 5 40 JGBB O=C(c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12556372 FLEYKQBILZPPFN-UHFFFAOYSA-N 499.376 3.305 5 40 JGBB CCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC 13543439 DVZARZBAWHITHR-SFHVURJKSA-O 454.521 3.442 5 40 JGBB CCCCOc1ccc(C(=O)/N=c2/c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2C)cc1 18084885 VINGXXWZLPQSHL-NFFVHWSESA-N 474.517 3.283 5 40 JGBB COc1ccc(OC)c2c1CN(c1ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc1[N+](=O)[O-])C[C@@H]2O 21674344 NDHVMOBDVGSPJZ-QRWLVFNGSA-N 491.566 3.086 5 40 JGBB C[C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223724005 ZCFFSRDJSJNRFX-INIZCTEOSA-N 463.556 3.242 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)c1 408655026 CMCBCKNBRUEEHM-GDIGMMSISA-N 495.488 3.325 5 40 JGBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)cc1[N+](=O)[O-] 408673285 ZMBHPKAKQGPSIT-SFHVURJKSA-N 497.504 3.251 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408676606 AZAYYYJSGCDUFC-HKUYNNGSSA-N 464.434 3.402 5 40 JGBB COc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1 409369797 YDPMOWDLBLBLLH-LQDNNDEMSA-N 471.425 3.388 5 40 JGBB O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1Br 10760332 CUIYOWIDHNXYIM-FPYGCLRLSA-N 450.201 3.461 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccncc2)n1CCCN(C)C 12491811 PGUBEDXIVLABIE-UHFFFAOYSA-N 455.544 3.239 5 40 JGBB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20142703 BPPFMANXJLBPDW-UHFFFAOYSA-N 453.451 3.445 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 138838224 PBVRAAWNCVBJCJ-FHQLIMNDSA-N 461.474 3.174 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(F)cc1 408644626 HCNAZLUIRDKZMQ-ZNHHMURHSA-N 489.459 3.027 5 40 JGBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 408678794 DBILKKVVQDANLD-UHFFFAOYSA-N 474.385 3.039 5 40 JGBB O=C(NC(=S)Nc1ccc(I)cn1)c1ccc(Cl)c([N+](=O)[O-])c1 16384508 XKSBXFVPMKMDPZ-UHFFFAOYSA-N 462.656 3.375 5 40 JGBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)o2)c([N+](=O)[O-])c1 214652922 DNZQUBMUUURVFP-WOJGMQOQSA-N 457.464 3.058 5 40 JGBB CC[C@H](C(=O)NCC1(c2ccccc2)CCOCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224484044 PGEMWTUFSVRUCO-OAQYLSRUSA-N 475.567 3.004 5 40 JGBB O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 9335478 MPYULMZZLUMGEL-UHFFFAOYSA-N 481.486 3.142 5 40 JGBB O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 14667535 IZQUEHMTEOBNKA-SFHVURJKSA-N 456.930 3.449 5 40 JGBB CC(=O)N1CCc2cc(NC(=O)COc3c(Br)cc(F)cc3[N+](=O)[O-])ccc21 25063347 HYPGIFCKZYQIEO-UHFFFAOYSA-N 452.236 3.423 5 40 JGBB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 36264906 RFLDLBRDWMRYBR-UHFFFAOYSA-N 481.509 3.022 5 40 JGBB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 57333496 XTAJPVKQEWOZAW-UHFFFAOYSA-N 454.483 3.071 5 40 JGBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccc5c(c4)OCO5)c(=N)n(Cc4ccccc4)c3nc12 101144739 OZXFTWJCCVZTHT-UHFFFAOYSA-N 493.523 3.144 5 40 JGBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408548059 CMIZFELJQFFGPA-RQZCQDPDSA-N 489.868 3.292 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)c1 408654018 QJNFKOZRFWYSPG-UHFFFAOYSA-N 459.414 3.140 5 40 JGBB Cc1ccc(NC(=O)COC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 408658039 KQHCQYRVADTKTO-UHFFFAOYSA-N 453.451 3.242 5 40 JGBB CC(C)[C@@H]1N(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1S(=O)(=O)c1ccccc1 9288412 MLGMYGFDNKTUKR-HXUWFJFHSA-N 489.579 3.078 5 40 JGBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 16050969 OUPVEGHGGXYVCS-QFIPXVFZSA-N 488.452 3.412 5 40 JGBB C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 33489340 AYTJTYHTQCNREM-GFCCVEGCSA-N 458.475 3.084 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1ccccc1Cl 100820880 WISKJEVTAZESNR-SLMZUGIISA-N 494.935 3.257 5 40 JGBB O=[N+]([O-])c1ccccc1[C@H]1c2c(-c3ccc(Br)cc3)nnc(O)c2Nc2nnnn21 111999831 HZYHVYUMJGVSII-INIZCTEOSA-N 467.243 3.201 5 40 JGBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)cc1 223154500 LQVYVYHSETZPPN-DHIUTWEWSA-N 478.578 3.085 5 40 JGBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408660637 WQWMZZKCLSSGPO-IWQDNSMASA-N 491.500 3.263 5 40 JGBB O=C(CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(F)c1F 409353141 HJRWGFAAZHTLRL-AWNIVKPZSA-N 453.354 3.393 5 40 JGBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccc(C(F)(F)F)cc1 9141030 BXGLJBFSPVQCRK-UHFFFAOYSA-N 453.373 3.246 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@H](C(=O)c3ccc(Cl)cc3)[C@@H]2C1=O 9487039 ZKVONUSPGCQWCG-NBYUQASBSA-N 469.881 3.092 5 40 JGBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 9641117 BIAJJGAVQSQGDE-UHFFFAOYSA-N 454.464 3.248 5 40 JGBB CCNc1nc(Sc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])nc2ccccc12 12856977 WQXYFHVMRHKRNJ-UHFFFAOYSA-N 475.552 3.142 5 40 JGBB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc([N+](=O)[O-])ccc21 100821183 ZBWHNFRJWIIROS-MRCUWXFGSA-N 460.537 3.157 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O 139147238 PUOCZTBJWTUIJP-ROUUACIJSA-N 452.423 3.236 5 40 JGBB CCCCOC[C@@H](O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(C)cc1 3111428 QAMUVHVKNWEXLL-SFHVURJKSA-N 452.529 3.285 5 40 JGBB Cc1nc2c3c4c(sc3n3c(SCC(=O)Nc5nccs5)nnc3n2n1)CCCC4 9478328 OGHJZXDLJAEAPF-UHFFFAOYSA-N 456.582 3.361 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)CC2)cc1 13141179 FWLMPDNMTVRMFV-UHFFFAOYSA-N 486.594 3.286 5 40 JGBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 18082533 MFVMACPMKKHFOL-VSKRKVRLSA-N 461.430 3.360 5 40 JGBB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 103523298 CKFQPTMUNIKVGX-MYDTUXCISA-N 466.453 3.356 5 40 JGBB O=C(N[C@@H](N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 103932374 AWLFUXYCWBIUCE-TVZGQMOCSA-N 485.755 3.302 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C)cc1 408824123 HCFKVKQASHHWRY-UBXANZILSA-N 463.515 3.015 5 40 JGBB O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 2476086 YYXXNUBAJLSCOE-UHFFFAOYSA-N 480.549 3.053 5 40 JGBB O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12526830 STNQYSUGWWDOPR-UHFFFAOYSA-N 484.822 3.076 5 40 JGBB O=C(NC(=S)Nc1ccc(I)cn1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14275604 KCAQEDPVFWQZGM-UHFFFAOYSA-N 497.318 3.321 5 40 JGBB CCCCn1/c(=N\C(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101099215 NHWHZWILEKMDEQ-SLMZUGIISA-N 459.506 3.071 5 40 JGBB O=C(CS(=O)(=O)c1ccc(SC(F)(F)F)cc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 1475748 ILGXGMUDYSGNPE-UHFFFAOYSA-N 489.497 3.329 5 40 JGBB CCOC(=O)[C@@H]1CCCN([C@@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(CC)nn3c2O)C1 15391745 IBNCVRCFYJWJCK-PBHICJAKSA-N 459.528 3.332 5 40 JGBB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)cc1[N+](=O)[O-] 40399404 WRVBZIUHWWMJBS-AWEZNQCLSA-N 468.857 3.448 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)/C=C/c1ccccc1 101176999 KXZIXKYEEVRXDU-WCPKSKLRSA-N 498.539 3.146 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 222408198 UNINJUMDLVLZPJ-XCFWCNODSA-N 487.512 3.206 5 40 JGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 224983885 CRJUPGWAGKCPHV-UHFFFAOYSA-N 496.545 3.265 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408658142 HVUNHHNKVIXXTB-RZTYQLBFSA-N 475.457 3.010 5 40 JGBB CCOC(=O)CSc1nnc(CNC(=O)c2ccc([N+](=O)[O-])cc2)n1-c1cccc(C)c1 2724055 XTGSVGNMKBYRMU-UHFFFAOYSA-N 455.496 3.069 5 40 JGBB NS(=O)(=O)c1ccc(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 12551476 QUIYQLYPLUOXAM-FQEVSTJZSA-N 474.926 3.365 5 40 JGBB O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccnn1Cc1cccc(Cl)c1 12597925 KLAYOVYQROIWDO-UHFFFAOYSA-N 454.918 3.254 5 40 JGBB Cc1nn(CC(C)C)c2sc(C(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)cc12 12912675 SXLFVPZTESJFJV-UHFFFAOYSA-N 491.595 3.117 5 40 JGBB O=C(NCCNc1ccc([N+](=O)[O-])cn1)c1ccc(CSc2nnnn2-c2ccccc2)cc1 20478191 UTIDTYBPXQTSJW-UHFFFAOYSA-N 476.522 3.100 5 40 JGBB COc1ccc(CCn2c(=N)c(C(=O)NCCc3ccccc3)cc3c(=O)n4ccccc4nc32)cc1 100752648 CAASBKMRCKDXRR-UHFFFAOYSA-N 493.567 3.352 5 40 JGBB biogenic CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccncc1 100823317 KPMMQWJIZYZILI-BYNJWEBRSA-N 471.517 3.467 5 40 JGBB O=[N+]([O-])c1cccc([C@H]2c3c(-c4ccc(Br)cc4)nnc(O)c3Nc3nnnn32)c1 111999825 KIOHQFXLVDZVQS-INIZCTEOSA-N 467.243 3.201 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccco1 248126025 HTCZVYAVWCEEIZ-LMDOGRNLSA-N 485.452 3.469 5 40 JGBB COc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1 409369798 YDPMOWDLBLBLLH-NFJKTXFASA-N 471.425 3.388 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 2681645 CSQKXBORIOVMBT-CNSVBDKNSA-N 495.582 3.428 5 40 JGBB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 9493499 AYZQSMQFTHZCNM-SNVBAGLBSA-N 459.402 3.284 5 40 JGBB C[C@@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 9586807 FKRCPVBVVKYRKN-HCVBEMKVSA-N 463.918 3.451 5 40 JGBB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 36732892 WFCQZBVQHPPJAR-OAHLLOKOSA-N 496.417 3.038 5 40 JGBB Cc1ccc(NC(=O)COc2ncnc3cc([N+](=O)[O-])ccc23)cc1S(=O)(=O)N1CCCCCC1 89651208 LSLDPISSNOYESD-UHFFFAOYSA-N 499.549 3.429 5 40 JGBB O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1N1CCOCC1 409216582 JOMUVVRYGBYMLX-CPNJWEJPSA-N 468.491 3.106 5 40 JGBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408653975 QGTFEVPONQAXOR-SOSNMWEESA-N 489.484 3.039 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 408657073 TZOWMMAOBKIFAH-VVFCZOMOSA-N 453.476 3.094 5 40 JGBB O=C(Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408670456 SKKGRQNIUXRJPK-IKTUDFLQSA-N 489.484 3.089 5 40 JGBB CCOc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2C)o1 9518644 CWDBZHWXSOAPFH-UHFFFAOYSA-N 471.495 3.346 5 40 JGBB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2cnc([N+](=O)[O-])c2)c1 12551687 MKSVGWWWLQYZBR-UHFFFAOYSA-N 463.903 3.299 5 40 JGBB CC1=C[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N2c2ccccc21 13548308 CLGKSYUBPOAEEQ-GXWFBMCDSA-N 487.512 3.232 5 40 JGBB COc1cccc([C@@H]2OCCn3c(-c4ccc(C)c([N+](=O)[O-])c4)c4c(=O)n(C)c(=O)n(C)c4c32)c1 15109220 XIFAUVDVCBZNHI-QHCPKHFHSA-N 476.489 3.051 5 40 JGBB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20142909 OEGCVZRXCILTKR-UHFFFAOYSA-N 453.451 3.445 5 40 JGBB CC1CCC(NS(=O)(=O)c2ccc(N3CCCN(C[C@@H]4CCCO4)CC3)c([N+](=O)[O-])c2)CC1 32809704 GHAKYUWNUZKCMS-MHJFOBGBSA-N 480.631 3.143 5 40 JGBB Cc1cccn2c(=O)c3cc(C(=O)N4CCC(C)CC4)c(=N)n(CCCOC(C)C)c3nc12 101164834 IZQSJWHXAOADLI-UHFFFAOYSA-N 451.571 3.124 5 40 JGBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 409134784 PYMYYEMXGGYFNL-UHFFFAOYSA-N 468.539 3.484 5 40 JGBB Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 8826463 KLVRJSVPOZJFKY-QGZVFWFLSA-N 493.520 3.177 5 40 JGBB O=c1cc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccc(Cl)cc2)[nH]c(=O)[nH]1 9382097 OEDIJNBVLNOPTP-UHFFFAOYSA-N 470.898 3.089 5 40 JGBB CCc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)cs2)cc1 12985447 FIQSXOLJOHLHQD-UHFFFAOYSA-N 486.575 3.427 5 40 JGBB O=C(COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2ccccc2)cc1 13522043 XERCKKVGQNJDIA-UHFFFAOYSA-N 477.473 3.476 5 40 JGBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 20455057 ORHZCECXAHFOJO-UHFFFAOYSA-N 465.484 3.477 5 40 JGBB Cc1ccc([C@@H](CNc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])N2CCOCC2)o1 24527852 XXJOVAWFIBMSMW-HTAPYJJXSA-N 492.598 3.402 5 40 JGBB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 36732893 WFCQZBVQHPPJAR-HNNXBMFYSA-N 496.417 3.038 5 40 JGBB CCOCCCn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3cc(C)ccc3nc21 100826716 UAWITRCAWKTLSJ-UHFFFAOYSA-N 486.981 3.350 5 40 JGBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408653007 PKZIXNHVALOLHV-WTPJZNEYSA-N 459.458 3.031 5 40 JGBB Cc1cc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)ccc1Br 10333836 XDGJPVCALJLRAY-UHFFFAOYSA-N 456.318 3.379 5 40 JGBB O=C(O[C@H]1[C@@H](O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@@H]1Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 77311773 VNTMIDIVOUQVNN-YPROMPOGSA-N 493.468 3.399 5 40 JGBB in-vitro CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1cccc(OC)c1 101176928 GKLJMKIUYMHWSW-OLFWJLLRSA-N 498.495 3.217 5 40 JGBB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)c3)C(=O)[C@H]12 408653769 APGAZBYYUGVGMH-IOYVRGJCSA-N 475.457 3.092 5 40 JGBB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CC2)c1 8903428 HYARWCSBYBVHRR-UHFFFAOYSA-N 480.477 3.420 5 40 JGBB O=C(CNS(=O)(=O)c1ccccc1)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10000565 SFBDTTURPJQRAA-QFIPXVFZSA-N 454.460 3.041 5 40 JGBB C[C@H]1CN(C2CCN(c3ccc(S(=O)(=O)N4CCCCCC4)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 40135265 GEFYJLFVKMOMOI-OALUTQOASA-N 480.631 3.238 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408661626 XMDCVMRRGLKGOM-JSNMRZPZSA-N 467.453 3.395 5 40 JGBB O=C(N[C@@H](Cc1ccccc1)C(=O)O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 3146052 ZKABUUUYOAPCAQ-GYZZIOIESA-N 459.458 3.178 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1ccc(F)cc1 101176608 OTYVGZWIEFGQBN-SLMZUGIISA-N 462.481 3.362 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1ccc(Cl)cc1 59418475 PGWDGRKOXFQEBR-OLROSQPISA-N 499.932 3.066 5 40 JGBB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 223665238 OQYODERRCGCONB-NHCUHLMSSA-N 451.508 3.316 5 40 JGBB Cc1ccc(S(=O)(=O)Oc2ccc3oc4c(CO)ccc(NCCN(C)C)c4c(=O)c3c2)cc1 5486762 SEVKFSGZVZFIMA-UHFFFAOYSA-N 482.558 3.488 5 40 JGBB in-vitro CCCCN(C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)c1c(N)n(CCC)c(=O)[nH]c1=O 9283960 BMWCDDDBMCZXOC-UHFFFAOYSA-N 486.573 3.264 5 40 JGBB CCOC(=O)C1=C(COC(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)NC(=O)N[C@H]1C 16050413 RZYIBBZOCAKHGY-ZDUSSCGKSA-N 471.491 3.421 5 40 JGBB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 224353256 MOGQRGOIDVBDTB-UHFFFAOYSA-N 467.931 3.232 5 40 JGBB CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 408666148 GGGLHQJRWSNAHP-CQSZACIVSA-N 490.310 3.455 5 40 JGBB Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 408689500 YHWOWUWOTVHYAL-SFHVURJKSA-N 461.478 3.389 5 40 JGBB CCOCCCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nc2ccccc2c1=O 3285648 MHNHYNMEPQKOQM-UHFFFAOYSA-N 472.523 3.471 5 40 JGBB O=C1C(c2ccc(C3=[N+]([O-])c4cc([N+](=O)[O-])ccc4C3=O)cc2)=[N+]([O-])c2cc([N+](=O)[O-])ccc21 4265832 CRVBTIMACCESNM-UHFFFAOYSA-N 458.342 3.158 5 40 JGBB O=C(c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)N1CCc2ccc([N+](=O)[O-])cc21 8776382 SZQSCWMBFQKMEO-UHFFFAOYSA-N 492.557 3.309 5 40 JGBB CCOc1ccc(-c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)c2)nn1 9715025 VYFYEXFXOKBAOE-UHFFFAOYSA-N 459.440 3.468 5 40 JGBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12901124 GUVGSYWTJFHACX-UHFFFAOYSA-N 477.445 3.280 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc2c(c1)sc(=O)n2C)S(C)(=O)=O 225063753 XLVQUTQAJPAWAZ-UHFFFAOYSA-N 478.552 3.002 5 40 JGBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCCN21 248339907 UFBXMWZFKFEGKW-ZEMPLXOASA-N 480.908 3.296 5 40 JGBB O=[N+]([O-])c1ccc(NCc2ccc(OC(F)(F)F)cc2)c(S(=O)(=O)N2CCOCC2)c1 12594815 KOUGQHGUSFCLAF-UHFFFAOYSA-N 461.418 3.126 5 40 JGBB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 16320871 MOKBZUZKLUZYQR-UHFFFAOYSA-N 496.368 3.317 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408688939 XGYQHTDREPLLSV-HKUYNNGSSA-N 492.444 3.084 5 40 JGBB COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 3849469 FHIZSEDLNBCBJO-HXUWFJFHSA-N 461.474 3.175 5 40 JGBB biogenic CCOC(=O)C[C@@H](Sc1nnc(-c2ccncc2)n1CC)C(=O)Nc1cccc([N+](=O)[O-])c1 6878552 DQBWTSQNZBHBEJ-QGZVFWFLSA-N 470.511 3.321 5 40 JGBB O=C(OCC[C@@H]1Oc2cc([N+](=O)[O-])ccc2NC1=O)c1ccc(I)cc1 12957523 ZTYQPBAIBYKVLI-AWEZNQCLSA-N 468.203 3.146 5 40 JGBB Cc1c(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cccc1[N+](=O)[O-] 16250127 LTHFWSBXNPTRER-UHFFFAOYSA-N 463.903 3.302 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935467 ZOPGXAGJROYSSV-UHFFFAOYSA-N 453.904 3.359 5 40 JGBB CC1=C[C@@H]2[C@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2c2ccccc21 103461767 DRNYDDWCKMAVEX-IZFXNUPESA-N 487.512 3.232 5 40 JGBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408653004 PKZIXNHVALOLHV-AYBQMASMSA-N 459.458 3.031 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408676727 BHKNIZOCADEYBP-HZVDNRATSA-N 464.434 3.092 5 40 JGBB CCCc1nc(N(C)CCc2ccccc2)ncc1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 585265717 QJZCRYDGGJRJDO-UHFFFAOYSA-N 483.550 3.135 5 40 JGBB Cc1nc2ccc(I)cc2c(=O)n1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8397522 TUCCEYXAQIODCR-UHFFFAOYSA-N 452.164 3.115 5 40 JGBB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 9667944 WNMNTFNWTISNJP-UHFFFAOYSA-N 474.539 3.016 5 40 JGBB COc1ccccc1N(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 16695134 JZERKHIOGRWYTI-UHFFFAOYSA-N 481.836 3.131 5 40 JGBB COC(=O)COc1c(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cccc1OC 408527839 FSDWYDAFRVLERA-LICLKQGHSA-N 458.448 3.392 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2C1 408995539 AVRYSPMDXWPOLJ-NVMNQCDNSA-N 473.894 3.031 5 40 JGBB CCOc1ccccc1NC(=O)COc1ccc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc1OC 409305975 XVPJHXPUDXRMJJ-NTMALXAHSA-N 482.449 3.391 5 40 JGBB O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1C(=O)NCCc1ccccc1 15443596 IXJAUGSHPSIOBP-UHFFFAOYSA-N 487.560 3.328 5 40 JGBB CS(=O)(=O)N(CCCC(=O)NCc1cccc(CN2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 224693530 FEDWTPOMIFUFMC-UHFFFAOYSA-N 488.610 3.443 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)cc2)c1 408654431 BOUZGSQWPNSSME-KYNGSXCRSA-N 495.488 3.325 5 40 JGBB O=c1/c(=C\c2ccccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc2nc3ccccc3n12 408759244 ALKWJMWSQVNQEY-UDWIEESQSA-N 479.495 3.133 5 40 JGBB COc1cc([C@H]2Nc3ccccc3C(=O)N2NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1OC 1441630 FCXQBWWIPLNUDL-NRFANRHFSA-N 484.490 3.072 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C 9059434 OVMGTHDIGRQWMI-UHFFFAOYSA-N 459.484 3.147 5 40 JGBB O=C(c1sccc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 12762635 HBVIUUVSQMFWLI-UHFFFAOYSA-N 457.533 3.470 5 40 JGBB O=C(COC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1)Nc1cccc([N+](=O)[O-])c1 13579026 BITWQSFCSSBQNB-UHFFFAOYSA-N 463.402 3.341 5 40 JGBB CCCCn1c(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc2cc(S(N)(=O)=O)ccc21 21164539 ACNDTUFNZNNKKY-UHFFFAOYSA-N 466.903 3.402 5 40 JGBB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 24984403 YYRBSDDPVWJXHT-KRWDZBQOSA-N 451.502 3.451 5 40 JGBB O=c1c2cc3c(=O)n(-c4nc(C5CCCCC5)n[nH]4)ccc3nc2ccn1Cc1cccnc1 40399031 AUXIBCGQJFLUKG-UHFFFAOYSA-N 453.506 3.310 5 40 JGBB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1=S 409158132 XKHJFRBPSRNGHU-UHFFFAOYSA-N 484.538 3.228 5 40 JGBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc([N+](=O)[O-])c1O 409166568 FMMJQTCVURPILV-IDUWFGFVSA-N 487.446 3.103 5 40 JGBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409179407 MVHYGECWMJOVTG-JOCHJYFZSA-N 489.396 3.266 5 40 JGBB O=C1c2ccccc2C(=O)N1CN1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 16524359 VEVARGGSKMNCSS-UHFFFAOYSA-N 461.478 3.176 5 40 JGBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NCCS(=O)(=O)c3ccccc3)c([N+](=O)[O-])c2)C1 40139253 HFHXCIAORSGSCF-CALCHBBNSA-N 481.596 3.147 5 40 JGBB CC[C@H](C(=O)NCc1cccc(CN2CCCCC2)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224692255 RXMCKJZORZCOAH-HSZRJFAPSA-N 488.610 3.442 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408653961 QFIUSZOSTGEDSM-UXHICEINSA-N 492.444 3.084 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(C)cc1 408824126 HCFKVKQASHHWRY-YMFQVDJJSA-N 463.515 3.015 5 40 JGBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c2=O)=N1 409031944 BRYYOQSQZRUAJN-FNGUVFISSA-N 463.515 3.015 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 8435217 HDKLUJPESZOVSC-VOMPUTFMSA-N 483.933 3.360 5 40 JGBB O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)Nc1ccc([N+](=O)[O-])cc1Br 16043622 GKGMNVUHAHGDQM-OAHLLOKOSA-N 480.296 3.342 5 40 JGBB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)OCC(=O)N1CCCc2cc([N+](=O)[O-])ccc21 16809115 HJFCCYDEBDHHRG-UHFFFAOYSA-N 496.545 3.227 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2F)n1C 33579795 VQGCJEHPXHSVDV-ZDUSSCGKSA-N 472.502 3.393 5 40 JGBB Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 35844107 UFBXMWZFKFEGKW-JQGROFRJSA-N 480.908 3.296 5 40 JGBB CC[C@@H](C(=O)NCc1ccc(CN2CCCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224531203 UMBOAFHVUAAMHE-QHCPKHFHSA-N 488.610 3.442 5 40 JGBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225240223 HTPUUAPWMTXSJM-HZPDHXFCSA-N 461.490 3.453 5 40 JGBB CC(C)[C@@H](NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br)C(=O)O 8721652 KYCOIWSOTDZOJE-UWKDKTGGSA-N 490.310 3.354 5 40 JGBB O=[N+]([O-])c1ccc(-c2nnc(O)c3c2[C@H](c2cccc(Br)c2)n2nnnc2N3)cc1 10296429 GPJSLNZXAQDJIY-INIZCTEOSA-N 467.243 3.201 5 40 JGBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O)N1CCOCC1 409123416 GFMBWUGNKWOYFX-DEDYPNTBSA-N 483.502 3.069 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 9357326 VGULNLHYUPZCCO-HNNXBMFYSA-N 453.314 3.187 5 40 JGBB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14275260 IZRXUZJIARSOBM-UHFFFAOYSA-N 482.518 3.311 5 40 JGBB CC[C@@H](C(=O)NCCOc1ccc(C)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224177850 GFQDQHJPZVETFZ-IBGZPJMESA-N 469.947 3.296 5 40 JGBB COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 629009 CXORZIXYLGMBKX-KUHUBIRLSA-N 450.875 3.378 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 9964028 TWVXCPXFVRBGFR-RUZDIDTESA-N 474.473 3.232 5 40 JGBB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Br 12928325 TZEJMHDBUDFJQI-UHFFFAOYSA-N 467.364 3.410 5 40 JGBB COc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)n2)cc1OC 13083851 BSBJSPQKTLJJMQ-OAHLLOKOSA-N 474.495 3.230 5 40 JGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13681726 JXOGMHFPEYFIBH-NRFANRHFSA-N 453.476 3.331 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2ccnn2Cc2cccs2)CC1 32987937 ZAZZKTPZJFRIOB-UHFFFAOYSA-N 489.579 3.249 5 40 JGBB CCCn1/c(=N\C(=O)c2c(F)cccc2F)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 100820824 OMEZIRZPDWZRRN-HFTWOUSFSA-N 466.444 3.255 5 40 JGBB Cc1ccc2nc3c(cc(C(=O)NCc4ccccc4)c(=N)n3CCCOC(C)C)c(=O)n2c1 101116031 HWUOXLHBIGZJAB-UHFFFAOYSA-N 459.550 3.182 5 40 JGBB CC[C@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222949664 KMRFSBGSUBGIHO-WMLDXEAASA-N 465.528 3.034 5 40 JGBB COc1c2c(c(O)c3c(=O)c4c(OC)c(OS(=O)(=O)O)ccc4oc13)[C@H]1CCC[C@@](C)(O2)O1 225457898 WJJZONGQYQZLAI-LADRHHBVSA-N 480.447 3.201 5 40 JGBB biogenic,in-vitro Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)cc1[N+](=O)[O-] 408651824 BIIOWXOGOQOVDM-QDGJQWLKSA-N 477.473 3.234 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409368323 XZOHUUHHUDZCFY-MRCZTLKWSA-N 481.505 3.154 5 40 JGBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 17053757 JXNLGEWQBZTDIA-CQSZACIVSA-N 469.972 3.262 5 40 JGBB CCOC(=O)[C@H](CC(C)C)N(C)S(=O)(=O)c1ccc(CNc2ccncc2[N+](=O)[O-])cc1 20219054 WJBFJWXFKHZXNJ-IBGZPJMESA-N 464.544 3.200 5 40 JGBB CCCCn1/c(=N\C(=O)c2ccncc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101107288 AKOOTQJKZLFQNE-SLMZUGIISA-N 459.506 3.071 5 40 JGBB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 223699685 OOVMOMZWCRZFRC-LEWJYISDSA-N 451.508 3.316 5 40 JGBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c([N+](=O)[O-])cc1OC 409242134 MNWJFDYNNXLZRW-REZTVBANSA-N 461.427 3.426 5 40 JGBB O=C(O)c1[nH]c2ccc(Br)cc2c1CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1304221 WKVDLDOIUFPAJT-UHFFFAOYSA-N 458.224 3.376 5 40 JGBB O=c1/c(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2nc([C@H]3COc4ccccc4O3)nn12 2833664 WLRSEVLGCSEBAZ-YBCYLVPRSA-N 474.454 3.379 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N/C(=O)c1cc(C)cc(C)c1 9192376 VGMRBLDSKNHIMH-RMLRFSFXSA-N 488.544 3.139 5 40 JGBB Cc1cc(Cl)c2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21 9331238 SNEZOXROAPVRQK-FVJVTNMWSA-N 480.908 3.296 5 40 JGBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccc(F)cc3)c2=N)cc1 13514184 HGFJTDWYFJMQQZ-UHFFFAOYSA-N 474.517 3.457 5 40 JGBB CSc1nsc(SCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)n1 13845300 MBLKENYUXBCJRL-UHFFFAOYSA-N 489.607 3.188 5 40 JGBB O=C1C[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 100090944 VEYIQUYORJTKTM-GOSISDBHSA-N 480.855 3.217 5 40 JGBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(Oc4ccc([N+](=O)[O-])cn4)c3)C2=O)o1 107809697 SZHQNPNWKUCRIH-YVLHZVERSA-N 464.390 3.255 5 40 JGBB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 224821291 YOCQOYYCPGSURR-UHFFFAOYSA-N 469.519 3.370 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408681674 IDPFHPSEMSTABE-MDASCCDHSA-N 466.450 3.482 5 40 JGBB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1Cl 409140352 DTSXSPGALCQGNP-UHFFFAOYSA-N 474.930 3.346 5 40 JGBB Cc1ccc2nc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1 9064689 VTIIZKFNIRLDSU-UHFFFAOYSA-N 457.537 3.476 5 40 JGBB CCN(CC)CCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 9170437 IIIFDCYKXMYQHI-ZEQKJWHPSA-N 489.576 3.493 5 40 JGBB biogenic COc1ccc(NC(=O)CN2C(=O)NC(c3ccc(F)cc3)(c3ccc(F)cc3)C2=O)c([N+](=O)[O-])c1 9504005 ZYVGLSDLTKQVJE-UHFFFAOYSA-N 496.426 3.316 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 11123417 ILCDHXVVSCNLSQ-UHFFFAOYSA-N 453.904 3.296 5 40 JGBB O=C(NCc1nc(-c2ccccc2)n[nH]1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 65562957 NXXNZMRAJYNTIN-UHFFFAOYSA-N 478.490 3.111 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)c1 408645212 HTJKRTCRFLFSKF-LPTQZCDUSA-N 479.489 3.265 5 40 JGBB O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(I)c1 3373004 OYMGSNVRTHLLFH-RMKNXTFCSA-N 452.204 3.395 5 40 JGBB CCOC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc2c1CC(C)(C)NC2(C)C 14065916 ZCULYEASUQWQDH-UHFFFAOYSA-N 463.560 3.444 5 40 JGBB Cc1nc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Br 14275592 ROKXVSKRRXLUIV-UHFFFAOYSA-N 480.344 3.024 5 40 JGBB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)cc1[N+](=O)[O-] 40399403 WRVBZIUHWWMJBS-CQSZACIVSA-N 468.857 3.448 5 40 JGBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])cc(Br)c2O)C1=O)N1CCCCC1 106770341 SVFYARHTWLWXLZ-QPEQYQDCSA-N 470.301 3.112 5 40 JGBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 408969630 QZRCMHLBPBXUOO-UHFFFAOYSA-N 468.329 3.397 5 40 JGBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 16091239 XXJLECZCENROMY-LLVKDONJSA-N 457.361 3.227 5 40 JGBB O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 17975984 DWQBMHNLPUYCQJ-TXFWVUOCSA-N 496.475 3.213 5 40 JGBB C[C@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)NC12CC3CC(CC(C3)C1)C2 40159913 PJGYPGDVSYUZMI-SCUMNGBJSA-N 477.583 3.232 5 40 JGBB O=C(Oc1cccc(N2C(=O)c3ccccc3C2=O)c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408660057 LDIGWYANYZFTOI-HNNXBMFYSA-N 471.425 3.354 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@@H](C(=O)C(C)(C)C)[C@@H]2C1=O 1313356 LQOBGSNNHUIBBD-DOIPELPJSA-N 460.490 3.397 5 40 JGBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 32882541 ZZGGTESCABSWIQ-HKUYNNGSSA-N 479.942 3.038 5 40 JGBB CCOc1ccc(NC(=O)COc2cc([N+](=O)[O-])ccc2OC)cc1S(=O)(=O)N(CC)CC 12885916 DQJJITBIDNHZPA-UHFFFAOYSA-N 481.527 3.050 5 40 JGBB N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(F)cc1 101088074 LAXSFVDLISMYQG-UHFFFAOYSA-N 460.490 3.149 5 40 JGBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4Cl)C3=O)[C@@H]2[C@H](C)O1 9487329 MYYHYCWOZXBTFS-RQOZVNRLSA-N 484.896 3.056 5 40 JGBB COCCn1c(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])nc2cc(Cl)ccc2c1=O 9912388 UIBJSEMVAOMPAA-UHFFFAOYSA-N 466.878 3.474 5 40 JGBB O=C(/C=C\c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 35415601 DOFKZIWJZKIRRD-DILAKDLXSA-N 474.429 3.466 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 40399406 XDJZORGNNIFSBF-ZDUSSCGKSA-N 484.856 3.148 5 40 JGBB CC(C)OCCCn1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3ccccc3nc21 101087723 DQTMLYPCFMEUKL-SFHVURJKSA-N 459.550 3.435 5 40 JGBB CC1=CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)c3)C(=O)[C@@H]2C1 408658483 JMROCPDPHIWHEW-URZJWIJPSA-N 489.484 3.399 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408686309 RMMPELLCXWSKEK-QGPMSJSTSA-N 466.450 3.482 5 40 JGBB O=C(NN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O)c1ccc(Br)cc1 3067194 BJUVXDNTWTYBSR-UHFFFAOYSA-N 485.206 3.360 5 40 JGBB COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1 8885119 DZSUVMHCXSKYIC-UHFFFAOYSA-N 474.322 3.199 5 40 JGBB O=C(COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(-c2ccc(F)cc2)cs1 9284655 KIBXONHGCZPJFO-UHFFFAOYSA-N 498.448 3.025 5 40 JGBB CN(C)CCN(C(=O)CCCS(=O)(=O)c1ccccc1)c1nc2ccc([N+](=O)[O-])cc2s1 10218187 VOGFHJDZGFKSOS-UHFFFAOYSA-N 476.580 3.353 5 40 JGBB C[C@H](NC(=O)Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O)c1cc2ccccc2o1 32831865 WJJDCKCJFIXZLN-AWEZNQCLSA-N 458.434 3.114 5 40 JGBB Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 35851643 MMBCUTPJVMZYSX-JQGROFRJSA-N 480.908 3.296 5 40 JGBB CCc1nnc(S/C(=C\c2cc(I)c(O)c([N+](=O)[O-])c2)C(=O)O)o1 408631542 KEMWCVZVGKUONA-UITAMQMPSA-N 463.209 3.068 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 408644701 HHWSBGCLZLSVJG-PYSZQBSGSA-N 485.496 3.196 5 40 JGBB CCCCn1c(=O)c(CCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc21 9562606 GGQIKZQBQXNJPM-UHFFFAOYSA-N 452.467 3.219 5 40 JGBB Cc1ccc(Cc2nn3c(=O)/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)sc3nc2=O)cc1 26779472 BQKOHPAFMAQZRZ-FYJGNVAPSA-N 472.482 3.126 5 40 JGBB O=C(CN1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1)Nc1ccccc1C(F)(F)F 95356689 ORBSQFUHUFELJF-UHFFFAOYSA-N 462.432 3.177 5 40 JGBB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 223665186 OQYODERRCGCONB-LEWJYISDSA-N 451.508 3.316 5 40 JGBB COc1cccc(OCCNC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)cc2)c1 224822203 IKEOOBLQTQJKAA-UHFFFAOYSA-N 499.545 3.378 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cccc(C(=O)Nn3c(C)ccc3C)c2)CC1=O 408683836 MHYOSHNNHWHDTN-GOSISDBHSA-N 491.504 3.397 5 40 JGBB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)Nc1ccc(F)cc1F 409362728 GHFOMNFLUUWCOP-XRVIQIRUSA-N 463.374 3.277 5 40 JGBB COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC 9356080 ORAHFFHJWGNKAX-UHFFFAOYSA-N 485.518 3.385 5 40 JGBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 9511985 KWMQUAGYEAJLIA-LBPRGKRZSA-N 492.501 3.009 5 40 JGBB CCOc1ccc2oc(C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)c(C)c2c1 89269816 YNSIFUIOUOALHX-UHFFFAOYSA-N 473.507 3.195 5 40 JGBB CC[C@@H](C(=O)NCCOc1ccc(C)c(Cl)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 224178106 KYJWPNPNILSVSZ-SFHVURJKSA-N 499.973 3.305 5 40 JGBB CC(C)OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408665690 VUHRBKMNRBQHBP-UHFFFAOYSA-N 457.439 3.061 5 40 JGBB COc1ccc(N2C(O)=c3ccccc3=N[C@@H]2c2ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c2)cc1 985530 YOQQJRLQRQDJJK-VWLOTQADSA-N 485.500 3.319 5 40 JGBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 6289379 PVABPWPEXLPEJW-LDADJPATSA-N 484.490 3.449 5 40 JGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 17332602 HZSBILOVACSQRI-UHFFFAOYSA-N 461.418 3.165 5 40 JGBB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1[N+](=O)[O-] 21763174 MOOBWZDTSOWXJN-UHFFFAOYSA-N 452.389 3.407 5 40 JGBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Cl)cc1 138636275 ZCDSNNSLFCTYMD-OALUTQOASA-N 467.865 3.440 5 40 JGBB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 22917341 PKNKQUPYXIUVFH-UHFFFAOYSA-N 451.401 3.276 5 40 JGBB CCN(CC(=O)NCc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 89960961 GCTPBAVOSDHTEN-UHFFFAOYSA-N 478.546 3.051 5 40 JGBB O=[N+]([O-])c1ccc([C@@H]2c3c(-c4ccc(Br)cc4)nnc(O)c3Nc3nnnn32)cc1 112000259 TVPZIOMXWUNCFE-MRXNPFEDSA-N 467.243 3.201 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)c1 408654851 BUPJXLADJKEXKD-OHOGDBNVSA-N 493.472 3.101 5 40 JGBB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 409183014 RHXYPZIULPHVBL-UHFFFAOYSA-N 483.454 3.393 5 40 JGBB O=C(COC(=O)c1cc(Br)c(Br)s1)NC(=O)c1cccc([N+](=O)[O-])c1 3309847 CFJOILQTDDXDOH-UHFFFAOYSA-N 492.101 3.295 5 40 JGBB Cc1cccc(C(C)C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 9050582 NTKIQVDONMASKP-UHFFFAOYSA-N 477.539 3.065 5 40 JGBB O=c1c2cc3c(=O)n(-c4nc(SCc5ccccc5)n[nH]4)ccc3nc2ccn1C[C@@H]1CCCO1 40398961 NFKOAXOADJTUER-KRWDZBQOSA-N 486.557 3.290 5 40 JGBB Cc1cc(NC(=O)CSc2nc3cc(F)ccc3c3nc(=O)c(-c4ccccc4)nn23)no1 97105519 VVWKHSTVNWAKRN-UHFFFAOYSA-N 462.466 3.471 5 40 JGBB N=c1c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1 100944319 UGWLADKOFYLGMX-UHFFFAOYSA-N 474.517 3.343 5 40 JGBB Cc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccncc3)c2=N)cc1 101099345 IGIPTNMLEZVGDE-UHFFFAOYSA-N 464.529 3.119 5 40 JGBB CCn1c(CCn2nc(C)c([N+](=O)[O-])c2C)nnc1S[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1=O 101896266 MWRMOOQFBONWLI-SFHVURJKSA-N 497.581 3.303 5 40 JGBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 103523302 CKFQPTMUNIKVGX-AFXVXQJMSA-N 466.453 3.356 5 40 JGBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC(N)=O 408609745 OOZKSOMXYNFWQZ-UHFFFAOYSA-N 471.251 3.074 5 40 JGBB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1 409126012 GMZYSFXTOHFSDO-CQSZACIVSA-N 454.512 3.254 5 40 JGBB O=C(COC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1cc(Cl)ccc1[N+](=O)[O-] 16043950 ABXBOTMOFYKDHU-UHFFFAOYSA-N 478.933 3.388 5 40 JGBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1OC 16227545 NDASHQZDJUXGCT-UHFFFAOYSA-N 471.491 3.446 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 225529285 JFYBSCIBSDTQKT-UHFFFAOYSA-N 469.888 3.161 5 40 JGBB COc1cc(NC(=O)C2=C(C)N=C3N=CNN3[C@H]2c2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl 408558817 WEVHVEFYDKTQGR-IBGZPJMESA-N 470.873 3.437 5 40 JGBB CCOC(=O)C1=C(C)N(N)C(=S)N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732710 XRSGEYSCZWHREJ-HXUWFJFHSA-N 472.523 3.124 5 40 JGBB CCCn1/c(=N\C(=O)/C=C/c2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 2725565 GNKFYHDOBMIUFK-SXZGLIJMSA-N 456.502 3.377 5 40 JGBB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2Cl)CC1 8897589 GQYUTXMPKMWMJG-UHFFFAOYSA-N 475.958 3.352 5 40 JGBB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2)C1 9631210 SBMBCACGHKUYKN-HOTGVXAUSA-N 490.534 3.485 5 40 JGBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 409163338 PXRKYILTAXBXMC-SFHVURJKSA-N 499.509 3.479 5 40 JGBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccncc3)c2=N)cc1 6072810 SYTPNKHNSPHHJF-UHFFFAOYSA-N 471.542 3.022 5 40 JGBB COc1cc(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl 9409846 KLDIKUPWJWZVTJ-GOSISDBHSA-N 471.861 3.180 5 40 JGBB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 13644841 CKFQPTMUNIKVGX-WZYRSQIMSA-N 466.453 3.356 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)C(C)C 103629558 VPZJISGLVQCMHB-NFFVHWSESA-N 458.518 3.152 5 40 JGBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 408664075 YRBZOLASTDBOCY-FHTPNYMGSA-N 491.500 3.429 5 40 JGBB CC(=O)Oc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c2)cc1 409181997 HOAMRAKWHKXZMZ-UHFFFAOYSA-N 467.184 3.231 5 40 JGBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] 3329267 SWAQWSCZKIGHGZ-UHFFFAOYSA-N 480.804 3.466 5 40 JGBB Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)n3c(c2n(C)c1=O)[C@H](c1ccccc1O)OCC3(C)C 8856593 FDEXAZDADYKAEB-QFIPXVFZSA-N 476.489 3.174 5 40 JGBB O=C(N[C@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 20114031 AWLFUXYCWBIUCE-BBEJJTJUSA-N 485.755 3.302 5 40 JGBB biogenic CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 62667478 CJBNJAYYZWIHCJ-UHFFFAOYSA-N 470.791 3.391 5 40 JGBB Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@H]43)C2=O)c(C)c1 102782708 LCICRFYDKGVTOL-ZCRMCLKNSA-N 478.505 3.019 5 40 JGBB COc1cc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 224137846 AGMVQENJLUUFCU-SFHVURJKSA-N 457.527 3.480 5 40 JGBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408588574 BXAMGJZGBCYLJA-LZYBPNLTSA-N 475.841 3.203 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408666801 SODUZXXFICNZGF-KDURUIRLSA-N 463.446 3.154 5 40 JGBB O=C(NC(=S)Nc1ccc(I)cc1C(=O)O)c1cccc([N+](=O)[O-])c1 16399801 DUMBTNFZUXPQPS-UHFFFAOYSA-N 471.232 3.024 5 40 JGBB CC(C)OCCCn1c(=N)c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc21 101161297 QDHKEGTWUUJZIB-UHFFFAOYSA-N 463.513 3.013 5 40 JGBB CC[C@H](C(=O)NCCOc1ccccc1C(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223823323 KGMXHEAVNYHPAJ-LJQANCHMSA-N 493.582 3.467 5 40 JGBB Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 408688702 WXVBXYYBCIXFDK-GOSISDBHSA-N 461.478 3.389 5 40 JGBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(Cl)c([N+](=O)[O-])c3)c2=O)=N1 409037596 DFBXHRVJISGXKH-SQWSFHKJSA-N 483.933 3.360 5 40 JGBB COCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2oc3cc(OC)ccc3c(=O)c2c1=O 2204100 MELIHCAQDOWRFV-UHFFFAOYSA-N 482.489 3.241 5 40 JGBB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)COc2c(C)ccc([N+](=O)[O-])c2C)c(=O)[nH]c1=O 12947738 DNQVKYZUWIGXSN-UHFFFAOYSA-N 495.536 3.056 5 40 JGBB Cc1nn(CC(=O)OCC(=O)c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)c(C)c1[N+](=O)[O-] 21172701 VVGSBESWBGJHPT-SFHVURJKSA-N 482.493 3.093 5 40 JGBB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(Cc3cc(C)no3)CC2)c([N+](=O)[O-])c1 28743310 GBFQABGMRCSRPS-UHFFFAOYSA-N 485.566 3.429 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)cc1 408641859 DEXPADJCOZGTHN-AQKFKSFVSA-N 461.474 3.341 5 40 JGBB CCOC(=O)C1=C(C)N(N)C(=O)N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408729117 APVQTMHGZHSRPO-OAQYLSRUSA-N 470.482 3.350 5 40 JGBB CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 409003364 SGLOKQYFDHUKHX-LJQANCHMSA-N 458.467 3.431 5 40 JGBB COc1cc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c(C)cc1[N+](=O)[O-] 9377787 JDXGYGPDVQGRRC-UHFFFAOYSA-N 466.479 3.065 5 40 JGBB Cc1ccc(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)c1 62656930 ODADTVVUAADMAP-INIZCTEOSA-N 480.974 3.199 5 40 JGBB CCOCCCn1/c(=N/C(=O)c2ccccc2C)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 102920433 FPJZMNMDNXQCHH-RMLRFSFXSA-N 488.544 3.302 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O 139147362 PUOCZTBJWTUIJP-QZTJIDSGSA-N 452.423 3.236 5 40 JGBB CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 138906114 YLVYJRKIDXPUNJ-UHFFFAOYSA-N 471.466 3.452 5 40 JGBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Cl)c2=O)=N1 409046871 SCTAKZTVENCZAA-JKALPCAWSA-N 483.933 3.360 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[nH]2)CC1 1324485 KNKKRHPSPAERJF-UHFFFAOYSA-N 493.911 3.144 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2C=CC=NN12 9320412 IEMYXSMWOYTNJU-YRXWBPOGSA-N 485.283 3.499 5 40 JGBB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1[N+](=O)[O-] 9403221 STHWXKMNVGMGKY-UHFFFAOYSA-N 460.657 3.467 5 40 JGBB O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 9471599 ZYKKMTQQEOTIMY-NMIHRBCNSA-N 455.426 3.461 5 40 JGBB Cc1c(C(=O)NC(=S)Nc2ccc(I)cc2C(=O)O)cccc1[N+](=O)[O-] 16250148 JTYVSZVHKJPBSY-UHFFFAOYSA-N 485.259 3.333 5 40 JGBB COc1ccc(-n2nc([N+](=O)[O-])c(Nc3ccc(I)cc3C)[n+]2[O-])cc1 16282762 UOBUXCOHIXJSFJ-UHFFFAOYSA-N 467.223 3.079 5 40 JGBB Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc23)N2CCOCC2)c([N+](=O)[O-])c1 23107720 OYKNIKUBHDTCSB-HSZRJFAPSA-N 462.506 3.185 5 40 JGBB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 32983154 YCVHBRGOLTZWMA-UHFFFAOYSA-N 465.510 3.110 5 40 JGBB O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Nc1cc([N+](=O)[O-])ccc1Cl 35526391 JNVDOGMKVPDZQI-UHFFFAOYSA-N 488.953 3.346 5 40 JGBB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1O 96297351 AAXSHIZYBXAEFI-BDTNDASRSA-N 461.430 3.360 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 408644698 HHWSBGCLZLSVJG-BSZKWMGISA-N 485.496 3.196 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)c3)C(=O)[C@@H]2C1 408653133 DVPMQTDFURCZPN-LYZACZEUSA-N 491.500 3.479 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 408688306 VYESZXQSDRFQSD-IBZMOEQTSA-N 465.437 3.171 5 40 JGBB CC(=O)Oc1cccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c1 409369579 PRMVLLNRNVOSRC-VUUXHMSQSA-N 454.438 3.397 5 40 JGBB COc1cc(NC(=O)CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn23)cc(OC)c1 9240890 RMZNKKPNJKRFNG-UHFFFAOYSA-N 466.479 3.448 5 40 JGBB CCC12CN(C(=O)c3cccc([N+](=O)[O-])c3)CC(CC)(CN(C(=O)c3cccc([N+](=O)[O-])c3)C1)C2=O 9301046 OUKQHXYRYXUKDS-UHFFFAOYSA-N 494.504 3.477 5 40 JGBB COc1ccc(OC)c(-c2csc(NC(=O)CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c1 10818879 IOYCXJDURBVYHT-UHFFFAOYSA-N 456.480 3.412 5 40 JGBB COc1cc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(C)cc1[N+](=O)[O-] 12618124 KWMGSOWPPFWXCC-LJQANCHMSA-N 483.477 3.104 5 40 JGBB O=C1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 40399400 NLGGLAFNMRXKMM-CQSZACIVSA-N 454.830 3.140 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 138702932 NQPFTJPGSWRTBO-UHFFFAOYSA-N 491.372 3.265 5 40 JGBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223508782 LNZYTSMGPYFEIA-QGZVFWFLSA-N 473.526 3.324 5 40 JGBB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1 409126008 GMZYSFXTOHFSDO-AWEZNQCLSA-N 454.512 3.254 5 40 JGBB Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)n3c(c2n(C)c1=O)[C@H](c1ccc(O)cc1)OCC3(C)C 9216281 NBPVUXOFRSMCHI-QFIPXVFZSA-N 476.489 3.174 5 40 JGBB COc1ccc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 9441726 CIDLKOLGNIANQP-UHFFFAOYSA-N 496.925 3.084 5 40 JGBB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 20005599 VJYRVJZAHHJIRP-FQEVSTJZSA-N 485.518 3.140 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1nnc(SCC(C)C)s1)S(C)(=O)=O 260805362 BPNXFGZGPPJJBP-GFCCVEGCSA-N 473.602 3.296 5 40 JGBB COc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 728626 IIIVUMFUQRZPJD-UHFFFAOYSA-N 460.398 3.444 5 40 JGBB O=C(N[C@H](Cc1ccccc1)C(=O)O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 3146054 ZKABUUUYOAPCAQ-PHCAOYFPSA-N 459.458 3.178 5 40 JGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 3176382 XXRDBCIHDZONJR-UHFFFAOYSA-N 492.440 3.423 5 40 JGBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1 8888151 ALMRGTLMZKFHHQ-UHFFFAOYSA-N 477.373 3.335 5 40 JGBB COc1ccc(OC)c(NC(=O)CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn23)c1 9240844 XRCRJBFXGZYKMS-UHFFFAOYSA-N 466.479 3.448 5 40 JGBB COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1OC(F)F 9283977 NKQDMJGNGLAKPD-UHFFFAOYSA-N 451.426 3.314 5 40 JGBB COc1ccc([C@H](CNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])N(C)C)cc1OC 9544351 LWJFHANYCISKKD-FQEVSTJZSA-N 478.571 3.111 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCN(c2ccccc2O)CC1 12533702 IHHWVIDRSSMSFH-UHFFFAOYSA-N 454.508 3.428 5 40 JGBB C[C@@]12CCC[C@@]3(CO3)[C@@H]1C[C@H]1[C@@H](CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C(=O)O[C@@H]1C2 64062059 JVEWLFXQCRLVCY-QIPNKBJNSA-N 455.555 3.244 5 40 JGBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O 102748143 HZOKNNUDXLLVKD-YPAWHYETSA-N 479.420 3.499 5 40 JGBB O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C(=O)c1ccccc1F)[C@H]1OC(=O)[C@H]2C=CC=C[C@H]21 102951170 ZPJRZGXHUHSGBE-LQLPYNBSSA-N 464.405 3.024 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)CC1 15712468 IVQBSTWWVKYLIE-UHFFFAOYSA-N 490.538 3.313 5 40 JGBB O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1 40149400 HUZRHBJKDOXCFY-HNNXBMFYSA-N 493.973 3.283 5 40 JGBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 409371345 ICEOXVMOMYYACN-VUUXHMSQSA-N 499.435 3.305 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(Cn3ccnc3)c2)CC1 25170039 CBYYEHWSLHSNJM-UHFFFAOYSA-N 483.550 3.187 5 40 JGBB CCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 40399781 OOCZYDPTPHSDAP-AWEZNQCLSA-N 482.428 3.024 5 40 JGBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)N1CCOCC1 214306962 MXGIVOIAOWIDMH-DEDYPNTBSA-N 483.502 3.069 5 40 JGBB COc1cc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 223750711 FFWNSEFJBUOWCP-QGZVFWFLSA-N 455.511 3.458 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408661628 XMDCVMRRGLKGOM-UAOJZALGSA-N 467.453 3.395 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408689555 YNMPZFJQWKMWEQ-ZMYBRWDISA-N 466.450 3.482 5 40 JGBB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 408713711 PJHNLFLBDDBNGG-UHFFFAOYSA-N 451.476 3.090 5 40 JGBB COC(=O)c1ccc(N[C@H](NC(=O)OCCn2c([N+](=O)[O-])cnc2C)C(Cl)(Cl)Cl)cc1 6444310 SFAWUJYELZHFNW-OAHLLOKOSA-N 494.719 3.421 5 40 JGBB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(C)C)c1 9119795 QRYBLZULRHMCPJ-FQEVSTJZSA-N 493.900 3.202 5 40 JGBB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 22707640 PCEZOKTYEUFCHF-UHFFFAOYSA-N 471.539 3.153 5 40 JGBB C[C@H](C(=O)NCc1cccc(CN2CCCCC2)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224690155 GFUJPAPPXHYMLJ-GOSISDBHSA-N 474.583 3.052 5 40 JGBB CCC[C@H](C)NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 14411348 ODHHDGJPWGWAMJ-HNNXBMFYSA-N 465.528 3.112 5 40 JGBB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20611588 VNDIVBJMUBPIJR-UHFFFAOYSA-N 491.342 3.283 5 40 JGBB COc1ccc(-c2nnc(NC(=O)[C@H](C)N(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)s2)cc1 225783050 ZMUHXUNZIQMODK-ZDUSSCGKSA-N 491.551 3.224 5 40 JGBB Cc1nc(N2CCC(Cc3ccccc3)CC2)ncc1C(=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 257337529 YTEJDSFIIMZNNC-UHFFFAOYSA-N 495.561 3.271 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C)S(C)(=O)=O 225150150 OJDVFHGHIOTXFG-UHFFFAOYSA-N 478.552 3.265 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)CC1=O 408672852 XNMSGHAFLLGPJX-LBPRGKRZSA-N 481.383 3.157 5 40 JGBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1NCc1cccnc1 8691683 GTHXGVLCYGXNAU-UHFFFAOYSA-N 498.521 3.021 5 40 JGBB aggregator O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCN(C(=O)c2ccc(F)cc2)CC1 9589046 SONGMQHIHXTVGY-UHFFFAOYSA-N 454.414 3.380 5 40 JGBB CCN1C[C@H](CN(C)C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)Oc2ccccc21 24652277 CINNTSXVDYKSMS-KRWDZBQOSA-N 454.483 3.029 5 40 JGBB CS(=O)(=O)c1ccc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c([N+](=O)[O-])c1 32841288 YNACDTVGVNQJIJ-GFCCVEGCSA-N 469.445 3.444 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 408571775 FTOLWTSKCVXSFM-UHFFFAOYSA-N 492.326 3.262 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408666803 SODUZXXFICNZGF-RTBURBONSA-N 463.446 3.154 5 40 JGBB O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)Nc1ccc2c(c1)OCO2 2720075 OBYJGFXQLYIUGE-UHFFFAOYSA-N 484.515 3.248 5 40 JGBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 3132101 XZHXWQRXHOBMPZ-UHFFFAOYSA-N 458.342 3.104 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cccc2ccccc12 9634295 MUVZCABUAUUPPU-NFFVHWSESA-N 452.470 3.257 5 40 JGBB CCCSc1nnc(NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)s1 223121371 VEVAVKHZXZTEOG-GFCCVEGCSA-N 489.601 3.140 5 40 JGBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OC 408566378 NSDHYGVWHCXDET-IOLVHUCKSA-N 476.327 3.425 5 40 JGBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1N1CCOCC1 409202576 RQOTVSVHLBOWHG-CPNJWEJPSA-N 468.491 3.106 5 40 JGBB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1 914473 CKOSRNVHILYDCC-HXUWFJFHSA-N 471.535 3.423 5 40 JGBB O=C(CCCS(=O)(=O)c1ccccc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 10218403 RZCPOHKVRJTZQD-UHFFFAOYSA-N 474.564 3.107 5 40 JGBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 12936160 AJLJSNRCDAXEQW-UHFFFAOYSA-N 450.325 3.110 5 40 JGBB COC(=O)c1ccc(N2CCN(CC(=O)c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 36383381 NCNXNJBTJBYDRE-UHFFFAOYSA-N 462.300 3.149 5 40 JGBB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 138745605 GBHJCMCJGAGUMJ-SFHVURJKSA-N 497.504 3.395 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 139089205 OTNVQRFVCOAOCE-UHFFFAOYSA-N 491.372 3.265 5 40 JGBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=NN23)cc1 229605088 SPXLHZZSXXYQPW-KIHHCIJBSA-N 496.479 3.365 5 40 JGBB O=c1c2c3nc4ccccc4nc3n(Cc3ccc4c(c3)OCO4)c2ncn1C[C@H]1CCCO1 2360562 BGCVRALOXVTLAS-MRXNPFEDSA-N 455.474 3.250 5 40 JGBB CCn1cc([N+](=O)[O-])c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)n1 2778760 PHWOVFBYTDNIOV-GFCCVEGCSA-N 458.544 3.426 5 40 JGBB CC(C)[C@H](NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br)C(=O)O 8721651 KYCOIWSOTDZOJE-PNDHZVEESA-N 490.310 3.354 5 40 JGBB O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 12789277 WJOCQUZKMKQDIM-UHFFFAOYSA-N 463.943 3.274 5 40 JGBB CCc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1 12878652 ZFZDFIKLAKDTJU-UHFFFAOYSA-N 486.575 3.427 5 40 JGBB Cc1c(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 13304743 YNAGPKFPRCWSBE-UHFFFAOYSA-N 494.459 3.347 5 40 JGBB CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1[N+](=O)[O-] 15554342 YDISTWCRSWGXBR-UHFFFAOYSA-N 473.551 3.019 5 40 JGBB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 20007239 DRYBBLGDFOALLY-FQEVSTJZSA-N 469.519 3.440 5 40 JGBB Cc1c(N(CC(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)cccc1[N+](=O)[O-] 223630196 CIONSAYZKRWABK-UHFFFAOYSA-N 457.508 3.018 5 40 JGBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225375319 BSEPWNOXPBDRIA-IAGOWNOFSA-N 473.526 3.323 5 40 JGBB O=C(Oc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408667004 PUGQGIRGJWEJMY-LPTQZCDUSA-N 477.473 3.233 5 40 JGBB O=C(NCCCCOc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 9112195 RVBSLUAZFHNPGF-UHFFFAOYSA-N 496.973 3.123 5 40 JGBB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 9381059 GROXRIVNXYHHCG-UHFFFAOYSA-N 474.564 3.125 5 40 JGBB Cc1nn(Cc2c(C(=O)Nc3cnn(Cc4ccccc4F)c3)noc2C)c(C)c1[N+](=O)[O-] 13961274 OVLVYGXCJUJYFW-UHFFFAOYSA-N 453.434 3.389 5 40 JGBB COc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1-c1ccc(CO)o1 20142707 UESHTVDZQCPPPJ-UHFFFAOYSA-N 453.451 3.445 5 40 JGBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 102076399 IPEGQBFRBNFJRQ-IQOSAITKSA-N 472.453 3.192 5 40 JGBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225412949 FELCGUHOZFVDSB-DLBZAZTESA-N 473.526 3.323 5 40 JGBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)cc1C 408532399 OFCLDCZWXYOSLE-OCKHKDLRSA-N 495.517 3.077 5 40 JGBB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8901248 FGUWPMGJAARMSA-UHFFFAOYSA-N 479.522 3.467 5 40 JGBB O=C([C@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccccc1)N1CCCC1 9478104 BELWUEVIUMCWTF-OAQYLSRUSA-N 459.524 3.122 5 40 JGBB COc1cc(NC(=O)COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c(C)cc1[N+](=O)[O-] 9612529 SJQBKVIURITFBG-UHFFFAOYSA-N 466.372 3.462 5 40 JGBB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2)cc1 57964544 WFMOXRPQFVGQPP-UHFFFAOYSA-N 461.316 3.321 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1cccs1 101176664 QPLLKBYMQDTIQI-QQTULTPQSA-N 450.520 3.285 5 40 JGBB CC(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]4CC(C)(C)C[C@@](C)(C4)[C@@H]32)C1=O 101408121 GFADKLHYFUKLIF-MXSVQDJISA-N 454.527 3.398 5 40 JGBB CCOc1c(Br)cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC 408565404 KJIPXVNCOBNORD-IOLVHUCKSA-N 476.327 3.425 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(F)cc1 408643130 FOTBPRLDEXUMIA-SNHGZMDHSA-N 465.437 3.005 5 40 JGBB COCCCNC(=O)COc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13 8792298 OPKMGMIUAZSDBL-UHFFFAOYSA-N 475.501 3.141 5 40 JGBB biogenic O=[N+]([O-])c1cccc(-c2nnc(O)c3c2[C@@H](c2ccc(Br)cc2)n2nnnc2N3)c1 10296577 AODXVBIEFJTRMD-MRXNPFEDSA-N 467.243 3.201 5 40 JGBB COc1cccc(OC)c1C(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 22574693 WHGZZVOCRDROET-UHFFFAOYSA-N 464.931 3.102 5 40 JGBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408590161 GJKWHJBNDKHWKX-LZYBPNLTSA-N 475.841 3.203 5 40 JGBB Cc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 408653635 ABUFSBKTTFAISX-JOCHJYFZSA-N 487.468 3.292 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]2C1 408657837 HSIMQJZWCRSOEX-VOBQZIQPSA-N 465.462 3.316 5 40 JGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc12 9087007 KOJMRNBQNBJWCX-UHFFFAOYSA-N 459.440 3.210 5 40 JGBB CCn1cc(Cn2cc(NC(=O)c3noc(C)c3COc3ccc([N+](=O)[O-])cc3)cn2)c(C)n1 13641156 SQTRNAPKOYRQCM-UHFFFAOYSA-N 465.470 3.492 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cccc(OC)c1 103001065 WJEVHUUTFYJJKW-HPNDGRJYSA-N 460.490 3.157 5 40 JGBB Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 9087922 MMBCUTPJVMZYSX-BKJGLDIHSA-N 480.908 3.296 5 40 JGBB COc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])c1 14329221 YEOMQWIMHDMNIZ-HNNXBMFYSA-N 469.494 3.297 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C1=O 28628594 GAOSWLVYMPDPRZ-ZKKFKWFVSA-N 471.425 3.388 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1ccccc1 101161114 HEBAQWNZVRVTBI-OAGTXPOXSA-N 486.528 3.054 5 40 JGBB COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102709150 HRZYQCWAWVJHII-YPAWHYETSA-N 473.441 3.433 5 40 JGBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225240331 HTPUUAPWMTXSJM-HOTGVXAUSA-N 461.490 3.453 5 40 JGBB O=C(Nc1ccc(OCCCN2CCOCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCOCC1 225564186 SCNXIHJZPUZMRS-UHFFFAOYSA-N 469.538 3.383 5 40 JGBB COc1ccc(C)c2c1N(C(=O)[C@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)CCC2 609013689 GMZRLKXHBGCAPG-KRWDZBQOSA-N 473.551 3.292 5 40 JGBB CCCNC(=O)c1cc2ccc(OC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)cc2oc1=O 2887480 QXNNMTNZNOTYJZ-UHFFFAOYSA-N 455.379 3.277 5 40 JGBB COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9138784 KUUODPWNROTFQZ-UHFFFAOYSA-N 467.931 3.465 5 40 JGBB CC1CCN(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)CC1 13671812 GPVJRCBLIYHFSV-UHFFFAOYSA-N 474.583 3.028 5 40 JGBB COc1cc(OC)cc([C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2nccn2C)c1 29130352 IZUHVIWJGPSYLP-OAQYLSRUSA-N 451.483 3.439 5 40 JGBB CCN1CCN(Cc2ccc(CNc3ccc(S(=O)(=O)NC(C)C)cc3[N+](=O)[O-])cc2)CC1 32932654 UYHIGTOACZHKCZ-UHFFFAOYSA-N 475.615 3.031 5 40 JGBB COC(=O)c1ccc(Oc2ccc(/C=C/c3nc(O)[nH]c(=O)c3[N+](=O)[O-])cc2OC)c([N+](=O)[O-])c1 33382214 GZYMQQNCSPQZAY-ZZXKWVIFSA-N 484.377 3.050 5 40 JGBB CCOC(=O)Cn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc([N+](=O)[O-])ccc21 100877327 WKQDCFFFMOCMAN-DQRAZIAOSA-N 453.432 3.022 5 40 JGBB CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]4CC(C)(C)C[C@@](C)(C4)[C@@H]32)C1=O 101408118 GFADKLHYFUKLIF-LHRYSNJFSA-N 454.527 3.398 5 40 JGBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)NCc2ccccc2)n1C 409134610 WOSNDOSTDIEUHC-HXUWFJFHSA-N 482.566 3.259 5 40 JGBB C[C@@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCC(=O)NCc4ccco4)n32)C1 9345764 VFMGMUJEFBYITF-LLVKDONJSA-N 453.553 3.113 5 40 JGBB CCOC(=O)c1c(NC(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)sc2c1CC[C@H](C)C2 23291545 QJUUMTKXGLMSBR-NSHDSACASA-N 490.490 3.482 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(OC)cc3)CC2)c([N+](=O)[O-])c1 408572245 HOEVZXXRPUBCAC-IZZDOVSWSA-N 498.561 3.017 5 40 JGBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(Cl)cc1Cl 408671823 UZKBBEQBGHDNTF-NSHDSACASA-N 452.250 3.436 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408687452 ULMUZGOXAMYZBU-OALUTQOASA-N 464.434 3.402 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)Cn1c(C(F)(F)F)nc2ccccc21 9509568 VTOYRNHKBNUGJM-UHFFFAOYSA-N 452.345 3.154 5 40 JGBB CCOC(=O)c1cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc([N+](=O)[O-])c1 15525432 HERZYZKFQRXDGH-UHFFFAOYSA-N 456.480 3.470 5 40 JGBB CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)cc3)C(=O)[C@H]2C1 408656312 HOEITDWUQNXOBE-XGRCMKMKSA-N 489.484 3.399 5 40 JGBB O=C([C@@H]1CCCN(c2nc3ccsc3c(=O)s2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4767850 WQGYWEIANVZBMM-OAHLLOKOSA-N 485.591 3.191 5 40 JGBB O=c1[nH]c2ccccc2cc1CN(Cc1cccnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 9187062 TVKPSNPXSOEXLJ-UHFFFAOYSA-N 450.476 3.222 5 40 JGBB CCCn1/c(=N/C(=O)c2ccc(F)c(F)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 11691341 ZIRKTNWXHXMJAH-SGWCAAJKSA-N 466.444 3.255 5 40 JGBB Cc1ccc2nc3c(cc(C(=O)N[C@H](C)c4ccccc4)c(=N)n3Cc3cccnc3)c(=O)n2c1 16750913 MPXKNGYNJYQCQO-GOSISDBHSA-N 464.529 3.371 5 40 JGBB CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3C)CC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286338 FPUXIZUJRPKXEL-DEOSSOPVSA-N 493.564 3.205 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408647516 JJURMGMBCPHNBX-SJORKVTESA-N 453.476 3.238 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 408688304 VYESZXQSDRFQSD-CFCCAZDESA-N 465.437 3.171 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)c1 408690150 ZUMVWGZCCKOQJC-RTWAWAEBSA-N 477.473 3.185 5 40 JGBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1 9190351 XJOODJUREWIQLU-UHFFFAOYSA-N 495.580 3.378 5 40 JGBB CN1CCN(S(=O)(=O)c2ccc(NCc3ccc(OC(F)(F)F)cc3)c([N+](=O)[O-])c2)CC1 12562773 RGZRZTGGVANPNC-UHFFFAOYSA-N 474.461 3.042 5 40 JGBB CCOC(=O)c1oc2ccccc2c1CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 12798379 ZGOWSXREKVLDBD-UHFFFAOYSA-N 473.507 3.024 5 40 JGBB CNc1ccc(S(=O)(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 16046228 SJYPDNPPMUEDPP-UHFFFAOYSA-N 468.535 3.163 5 40 JGBB NC(=O)CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccco1 25955026 ZHHNFNSNGVNLOC-UHFFFAOYSA-N 484.416 3.071 5 40 JGBB O=c1c2cc3c(=O)n(-c4nc(SCc5ccccc5)n[nH]4)ccc3nc2ccn1C[C@H]1CCCO1 40398962 NFKOAXOADJTUER-QGZVFWFLSA-N 486.557 3.290 5 40 JGBB COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 100957776 BXGRRDAMTIFNNK-FSSWDIPSSA-N 473.441 3.433 5 40 JGBB CC[C@@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223634448 VGLCWCLLTQMYGK-QFIPXVFZSA-N 471.535 3.488 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1C 408641280 CHHVZVXRNLWXMF-OYRHEFFESA-N 461.474 3.403 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccncc2)n1C[C@@H]1CCCO1 6906657 YRFIHQWTBSEGDL-INIZCTEOSA-N 470.511 3.167 5 40 JGBB COc1ccc(NC(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1OC 57470955 TWCDILXXSPEVEG-INIZCTEOSA-N 465.510 3.309 5 40 JGBB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(I)cc3)CC2=O)cc1[N+](=O)[O-] 408639666 GQZHPHJYSORHQO-LBPRGKRZSA-N 465.247 3.499 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 408682592 JRWHKNDLJJVOHT-UAOJZALGSA-N 464.434 3.258 5 40 JGBB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 3437930 HUPLWCDDGFQSHN-MRXNPFEDSA-N 475.523 3.344 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 9906172 SKGRGRODEWYEEC-UHFFFAOYSA-N 474.901 3.346 5 40 JGBB Cc1nnc2sc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nn12 22575498 DQYSXFLUPAJLQU-UHFFFAOYSA-N 465.495 3.158 5 40 JGBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 32882535 ZZGGTESCABSWIQ-IEBWSBKVSA-N 479.942 3.038 5 40 JGBB CN1C(=O)[C@@H](NC(=O)Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N=C(c2ccccc2)c2ccccc21 95929374 ZVNQDMHHVJELDF-OAQYLSRUSA-N 474.433 3.465 5 40 JGBB Cc1ccc2nc3c(cc(S(=O)(=O)c4ccccc4)c(=N)n3Cc3ccccc3)c(=O)n2c1 100826303 BJJFSJGAQRXAGT-UHFFFAOYSA-N 456.527 3.318 5 40 JGBB Cn1c(=O)n(C)c2cc(N3CCN(c4ccccc4)CC3)c(NC(=O)c3ccc([N+](=O)[O-])cc3)cc21 408529421 JNILOGKEVFXBLJ-UHFFFAOYSA-N 486.532 3.364 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2cccc(C)c2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 9125266 AXYBYNQDGLJROU-UHFFFAOYSA-N 475.523 3.182 5 40 JGBB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)CC1 14271654 WLULGFORKORDEN-UHFFFAOYSA-N 455.540 3.089 5 40 JGBB COc1ccc(C(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 35515167 PWAJCFGQHHRUJH-UHFFFAOYSA-N 486.458 3.150 5 40 JGBB CC1=C[C@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N2c2ccccc21 101483344 CLGKSYUBPOAEEQ-KGZUAYNTSA-N 487.512 3.232 5 40 JGBB CC[C@H](C(=O)NCCOc1ccc(C)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224177899 GFQDQHJPZVETFZ-LJQANCHMSA-N 469.947 3.296 5 40 JGBB COc1ccc(C(=O)OCC(=O)Nc2cccc(I)c2)cc1[N+](=O)[O-] 9124944 ZLYHIPZYZZEZTI-UHFFFAOYSA-N 456.192 3.004 5 40 JGBB O=C(NCCC(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)NC12CC3CC(CC(C3)C1)C2 13145566 MQWZADHNCTYVDF-UHFFFAOYSA-N 469.498 3.346 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 40399396 HXEPSNWVEPLSOL-AWEZNQCLSA-N 468.857 3.448 5 40 JGBB CCOC(=O)C1=C(CN2CCN(c3ccccc3Cl)CC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286377 VWQVMJICVOIYBG-QFIPXVFZSA-N 499.955 3.242 5 40 JGBB Cc1nn(CC(=O)c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)c(C)c1[N+](=O)[O-] 3443877 STECPTKCKJFFRK-UHFFFAOYSA-N 462.510 3.496 5 40 JGBB COc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)cc4C)c3)CC2)cc(OC)c1OC 12446079 NHSHUQIHNCGYQT-UHFFFAOYSA-N 495.536 3.386 5 40 JGBB CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)[nH]c1=O 12853695 ISRORNUSJDEJRZ-UHFFFAOYSA-N 469.498 3.390 5 40 JGBB Cc1cc(C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C)n1C[C@H]1COc2ccccc2O1 9612412 BONXRFCCOOROPO-KRWDZBQOSA-N 465.462 3.475 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O 18060051 LQOBGSNNHUIBBD-BQJUDKOJSA-N 460.490 3.397 5 40 JGBB Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)cc1[N+](=O)[O-] 100744723 PRQOTWQQZHJXIK-WWLNLUSPSA-N 462.458 3.478 5 40 JGBB CCOc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCCOc1ccc(C)cc1 107660251 FLPPICOWNGGKGG-UXBLZVDNSA-N 453.451 3.307 5 40 JGBB Cc1sc2nc3c4ccccc4c(N4CCN(CCN5CCCC5)CC4)nn3c(=O)c2c1C 22806018 AVWIFKDTAQPLFF-UHFFFAOYSA-N 462.623 3.292 5 40 JGBB Cc1cc(C)n2nc(SCc3ccccc3C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)nc2n1 32999809 WISKBAZVXSNEIT-FQEVSTJZSA-N 478.534 3.405 5 40 JGBB C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 109041967 UGXBZOMFBWODLP-ZIAGYGMSSA-N 476.331 3.430 5 40 JGBB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222771264 HIYNEPZPAUNBQN-GFCCVEGCSA-N 470.309 3.452 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 408657068 TZOWMMAOBKIFAH-AZOIQLNYSA-N 453.476 3.094 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 408678876 DPSJHKRHFZPPHD-IPHXSNPTSA-N 479.489 3.265 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c([N+](=O)[O-])c1 9539517 JGAYTKMMOZNLEV-IRXDYDNUSA-N 489.550 3.365 5 40 JGBB Cc1cc(C)c(C)c(OCCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 12568828 BCXXFIGJGQMPAP-UHFFFAOYSA-N 490.582 3.005 5 40 JGBB COc1ccc(-c2ccc(CCC(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)o2)cc1 16230813 KHUIWDJWCMTZIZ-UHFFFAOYSA-N 499.545 3.329 5 40 JGBB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)c3)C(=O)[C@H]21 408656558 FPIUNHQBLJOPEZ-BKMALILDSA-N 489.484 3.400 5 40 JGBB CCOC(=O)C1=C(C)N2C(=N[C@@H]1c1cccc([N+](=O)[O-])c1)NC(=S)N[C@@H]2c1cccc([N+](=O)[O-])c1 2033970404 RNBAXTSAHSGYTK-MOPGFXCFSA-N 496.505 3.229 5 40 JGBB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9670419 ZOHFLQCODSFCFP-UHFFFAOYSA-N 462.528 3.096 5 40 JGBB COc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c([N+](=O)[O-])c1 9716585 PZVJBLKSCKKVIP-UHFFFAOYSA-N 485.474 3.200 5 40 JGBB C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccccc1 13115259 SWGFTLJWWAPIQC-MRXNPFEDSA-N 471.473 3.434 5 40 JGBB CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1 409165163 UCNACJRQNMCPQQ-OAHLLOKOSA-N 498.565 3.100 5 40 JGBB C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]12 9450049 AALPIVGVOKXZLY-LERLXCPZSA-N 484.896 3.056 5 40 JGBB CC1CCN(c2ccc(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 9898523 NKWMVXPXXHZJOZ-UHFFFAOYSA-N 460.556 3.011 5 40 JGBB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 25446383 NCGCAAJCDBJYMR-UHFFFAOYSA-N 491.529 3.080 5 40 JGBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 32777275 LSMBFYUTJXYSMR-UHFFFAOYSA-N 462.509 3.251 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 100820831 KNTCFJPBXUJQQZ-QLYXXIJNSA-N 475.461 3.056 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1nnc(-c2ccccc2)s1)S(C)(=O)=O 223541168 WPHASNZSDSEPGU-ZDUSSCGKSA-N 461.525 3.215 5 40 JGBB CS(=O)(=O)N(CCCC(=O)NCc1ccc(CN2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 224512978 NHLMNJQHJMWIDH-UHFFFAOYSA-N 474.583 3.053 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 408573208 MWJQWOBOPXNZNM-UHFFFAOYSA-N 476.942 3.262 5 40 JGBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(Cl)c1Cl 408659059 LTDDYECOKSMFSW-NSHDSACASA-N 452.250 3.436 5 40 JGBB COc1nccnc1NS(=O)(=O)c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)cc1 8400369 SWXNEAJKKNKIBG-UHFFFAOYSA-N 497.449 3.394 5 40 JGBB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c([N+](=O)[O-])c1 10186922 INKCBRJKVAUZCC-UHFFFAOYSA-N 459.933 3.358 5 40 JGBB O=C(NC1CC1)c1ccc(N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])c1 14328668 VGJHQXHZTKPNQR-UHFFFAOYSA-N 451.479 3.358 5 40 JGBB Cc1ccc(-c2noc(CN3CCN([C@@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 32892812 ASUHOIXATMESLA-KRWDZBQOSA-N 450.499 3.098 5 40 JGBB O=C1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 40399399 NLGGLAFNMRXKMM-AWEZNQCLSA-N 454.830 3.140 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1ccc(Cl)cc1 101176807 AJAKWLBKZBWGFU-SLMZUGIISA-N 494.935 3.257 5 40 JGBB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)c3)C(=O)[C@@H]12 408653772 APGAZBYYUGVGMH-LDQIIQMXSA-N 475.457 3.092 5 40 JGBB Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)c([N+](=O)[O-])cc1C 8635131 HDGYQLVCJLIUAS-FQEVSTJZSA-N 475.299 3.380 5 40 JGBB CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2cc(S(N)(=O)=O)ccc21 9669984 WDIRVKJFXPPUGD-JTQLQIEISA-N 483.959 3.385 5 40 JGBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2ccc(OC(F)F)cc2OC(F)F)C1=O 9671831 BRNVICMBHMRLGL-HXUWFJFHSA-N 485.346 3.448 5 40 JGBB CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)C[C@@H]1CCS(=O)(=O)C1 9763849 FZLZEGGZMNTAHQ-LBPRGKRZSA-N 452.510 3.263 5 40 JGBB O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc([N+](=O)[O-])cc1Br 16043621 GKGMNVUHAHGDQM-HNNXBMFYSA-N 480.296 3.342 5 40 JGBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Cl)c(Cl)c1 138671224 KEJYJFOCTFWTHG-NSHDSACASA-N 452.250 3.436 5 40 JGBB CCCc1ccc(OCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 224832455 PWNBIUWBPSNOPF-UHFFFAOYSA-N 493.582 3.297 5 40 JGBB COc1c(C)cccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 13633010 LFSCHUFJYKYANH-IBGZPJMESA-N 454.527 3.465 5 40 JGBB COc1ccc(OC)c(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])c1 20442418 YPCYKMJDHCVDMI-UHFFFAOYSA-N 465.514 3.050 5 40 JGBB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 32994622 CMRZTKXOLNSTNI-AWEZNQCLSA-N 461.496 3.181 5 40 JGBB Cc1c(N(CC(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)cccc1[N+](=O)[O-] 223560901 XBLOSUZDNKYWNB-UHFFFAOYSA-N 457.508 3.018 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)CC1=O 408639696 GYCZEJHUNZHCEE-MRXNPFEDSA-N 455.467 3.408 5 40 JGBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 408647460 JGZBEZSQJLXTOY-CTRCGTHFSA-N 485.496 3.277 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 408690165 ZWDLJMAAUSQKHO-VOBQZIQPSA-N 464.434 3.258 5 40 JGBB Cc1ccc(NS(=O)(=O)c2ccc(NCCc3nnc4n3CCC4)c([N+](=O)[O-])c2)c(C)c1 8725738 MWYFLXFQFZUFNH-UHFFFAOYSA-N 456.528 3.205 5 40 JGBB COc1ccc(-c2ccc(CCC(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)o2)cc1 16230790 GVTVDSKPXQPRLT-UHFFFAOYSA-N 499.545 3.329 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@H]2C1=O 139147137 PUOCZTBJWTUIJP-HDICACEKSA-N 452.423 3.236 5 40 JGBB Cc1nc2c3c4c(sc3n3c(SCC(=O)NCc5ccco5)nnc3n2n1)COC(C)(C)C4 2446826 CYCLXUBTHJIUMP-UHFFFAOYSA-N 483.579 3.148 5 40 JGBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 12923583 LEXBEJMWAZMLMT-UHFFFAOYSA-N 463.943 3.274 5 40 JGBB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22568971 CBTFKWQSMRBGNY-UHFFFAOYSA-N 461.500 3.307 5 40 JGBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)sc(C(=O)OC)c1C 22713563 ZLYANAAWDKSGKC-UHFFFAOYSA-N 477.495 3.017 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1ccc(C)c(C)c1 101176789 FFKVOYMJDFSFDV-OLFWJLLRSA-N 488.544 3.220 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)CC1=O 408671011 RQFXTURLKNTFCB-LLVKDONJSA-N 482.276 3.445 5 40 JGBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2nccs2)n[nH]1 409153373 LJRPMZUUGZRQHA-AWEZNQCLSA-N 461.529 3.027 5 40 JGBB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1C 12521910 CYDNRXFEUAWGMD-UHFFFAOYSA-N 476.555 3.023 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3CCCN3[C@H](C(=O)c3ccc(Cl)cc3)[C@@H]2C1=O 36322333 ZKVONUSPGCQWCG-FFGOWVMKSA-N 469.881 3.092 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O 223801533 QUBAFKYJFRDGSF-KRWDZBQOSA-N 463.556 3.376 5 40 JGBB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@H]12 408655960 DTFLMDQOTBFTHB-IOYVRGJCSA-N 475.457 3.092 5 40 JGBB CC(C)(C)c1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)cc1 8869689 OIERQZBXZDFHJA-HXUWFJFHSA-N 460.552 3.487 5 40 JGBB CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1 20968980 BFWDFDISKFTZLH-UHFFFAOYSA-N 481.553 3.132 5 40 JGBB COc1ccc(OC)c(Nc2nc(N3CCN(c4ccccc4OC)CC3)nc(N)c2[N+](=O)[O-])c1 41154183 PHVXJWLRAZDIAX-UHFFFAOYSA-N 481.513 3.063 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O 104065703 LUKHITMRTGBWBF-ZEMPLXOASA-N 480.908 3.296 5 40 JGBB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 2633033 NXBSWUDUTAXTLN-GOSISDBHSA-N 456.480 3.141 5 40 JGBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 32778234 NBCFIKCNPDVNJH-UHFFFAOYSA-N 480.852 3.182 5 40 JGBB Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)cc1[N+](=O)[O-] 102084548 UJAUUYBCILNUDQ-QDGJQWLKSA-N 460.442 3.254 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1c(F)cccc1F 102920986 GPKFTPBPFXTYTL-SGWCAAJKSA-N 466.444 3.426 5 40 JGBB Cn1c(=O)sc2cc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)ccc21 225025451 UFGXILVWTXFZQC-UHFFFAOYSA-N 498.542 3.342 5 40 JGBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225518810 YTCPTNUVZSRTGC-QHCPKHFHSA-N 477.517 3.368 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)c1 408682881 KGBQXMCCZOXTGN-IPHXSNPTSA-N 479.489 3.265 5 40 JGBB Cc1cc(C)cc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2C)c1 409124795 COJFCCYSEWZDTF-UHFFFAOYSA-N 454.512 3.001 5 40 JGBB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1[N+](=O)[O-] 409168948 OCKSNGNZAZQKQA-REZTVBANSA-N 457.420 3.007 5 40 JGBB O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)Nc1ccc(F)cc1[N+](=O)[O-] 9613140 IZWFXGDXCKXOAD-UHFFFAOYSA-N 487.465 3.008 5 40 JGBB CC[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)n1nnc(-c2ccc(Cl)cc2)n1 12594196 WDPQOGDRYGFZFD-KRWDZBQOSA-N 455.906 3.202 5 40 JGBB CC1CCN(S(=O)(=O)c2ccc(N3CCC(N4C[C@H](C)O[C@H](C)C4)CC3)c([N+](=O)[O-])c2)CC1 40135267 QNAFJEYICZMRNU-KDURUIRLSA-N 480.631 3.093 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N\C(=O)c1ccco1 101136085 UUZOABQSFIGNMQ-NFFVHWSESA-N 492.532 3.284 5 40 JGBB Cc1ccc(-c2nnc(NC(=O)CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)s2)cc1 223869812 BPJCVUXNXSYHHD-UHFFFAOYSA-N 461.525 3.135 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408656434 SHLTWHPCVZDXJY-WOJBJXKFSA-N 465.437 3.315 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 408687264 TZWUQJIATOIUEL-LXGCGDOSSA-N 464.434 3.258 5 40 JGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 409027187 BTKDPTAYHOILCP-UHFFFAOYSA-N 456.436 3.337 5 40 JGBB C[C@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)OCc1ccccc1 8767289 BWSQAPOORARWIT-RZKQZQCBSA-N 463.446 3.207 5 40 JGBB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9469130 AZMSTQWZUBMWHD-UHFFFAOYSA-N 452.511 3.091 5 40 JGBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1[N+](=O)[O-] 16001088 SYYYISVJFAHUOC-DOGKRZLPSA-N 480.908 3.296 5 40 JGBB COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(CCc3ccccc3)c2=N)cc1 100754963 PJJGRXZQFZSNKC-UHFFFAOYSA-N 493.567 3.352 5 40 JGBB biogenic CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 108237576 WELBSSNBIPAZDC-AWEZNQCLSA-N 484.538 3.437 5 40 JGBB CCc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2CC)cc1 409143058 MRXMGHSNPMCQHY-UHFFFAOYSA-N 468.539 3.429 5 40 JGBB CCN(CC)CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 2146839 IIIFDCYKXMYQHI-JYFHCDHNSA-N 489.576 3.493 5 40 JGBB biogenic CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12536913 LVEATFKEALEOQI-UHFFFAOYSA-N 460.918 3.494 5 40 JGBB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(N3CCO[C@H](C)C3)CC2)c([N+](=O)[O-])c1 40135272 IDNMCQZINMPVGY-LJQANCHMSA-N 488.610 3.500 5 40 JGBB CCOc1ccc2nc(N3CCN(CCNC(=O)c4cccc([N+](=O)[O-])c4)CC3)sc2c1 56949759 ZIAOAHUVBIQAHJ-UHFFFAOYSA-N 455.540 3.155 5 40 JGBB C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2[C@@H](C)O1 102778620 AALPIVGVOKXZLY-BUSGDNOQSA-N 484.896 3.056 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1N=Cc3ccccc3[C@@H]21 103562225 UHBWMFJLDKFMTC-WOZUAGRISA-N 460.490 3.397 5 40 JGBB O=C(Nc1ccc(I)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408638446 CGNYOVFCRWFHPC-NSHDSACASA-N 451.220 3.191 5 40 JGBB COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@H]3O[C@@H](C)[C@@H](O)[C@](C)(O)[C@H]3O)ccc(O)c12 1996081 BJPYMDSMDBCKEP-OFGCQSLPSA-N 496.512 3.063 5 40 JGBB in-vitro O=[N+]([O-])c1ccc(Sc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c2nonc12 9295416 RZXIWAIICOIFEL-UHFFFAOYSA-N 452.456 3.047 5 40 JGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1ccc(Br)cc1F 9963177 HGNMCIMAUFATQH-UHFFFAOYSA-N 482.262 3.129 5 40 JGBB C[C@@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 13130571 GZDXTXYTIULQIA-SNVBAGLBSA-N 463.459 3.231 5 40 JGBB COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 13504013 HETZPXYMPOAJPY-QFIPXVFZSA-N 481.557 3.265 5 40 JGBB COc1ccc(NC(=S)NC(=O)c2cccc(I)c2)cc1[N+](=O)[O-] 14271004 NBTZFYLGHOMDSX-UHFFFAOYSA-N 457.249 3.335 5 40 JGBB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 17300002 PVABPWPEXLPEJW-PDGQHHTCSA-N 484.490 3.449 5 40 JGBB COCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1c3ccccc3C(C)=C[C@@H]21 96318483 RXMKFCDYQNGMFF-GSPCLOLRSA-N 475.501 3.090 5 40 JGBB COc1ccccc1OCCNC(=O)c1ccc(CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 224821998 WYDOQXJEZHJSJX-UHFFFAOYSA-N 499.545 3.378 5 40 JGBB COCCN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)C1=O 409215386 XSGZSENRLPGFSN-WQRHYEAKSA-N 478.504 3.354 5 40 JGBB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21 9374756 CKFQPTMUNIKVGX-KAOXLYBCSA-N 466.453 3.356 5 40 JGBB COc1ccc(N(CC(=O)N2CCC[C@H](C)C2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 10541423 BEMJEEIVKJDCAX-INIZCTEOSA-N 461.540 3.366 5 40 JGBB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)C2)cc1 32842243 AQSPEDMKHIYVFE-OAHLLOKOSA-N 481.958 3.316 5 40 JGBB CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@+]3([O-])CC2CC2)[C@H]1O5 1570006121 MWDGJQVNEHFHMK-QORSGALWSA-N 492.572 3.102 5 40 JGBB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCN(c2cnccn2)CC1 11086859 TUUUGPIDMYFKIP-UHFFFAOYSA-N 469.505 3.129 5 40 JGBB CC(C)[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(F)cc1 12556358 IQHDEBWIPOYUNQ-OAQYLSRUSA-N 450.536 3.479 5 40 JGBB O=C(Oc1ccc(Br)cc1C(=S)N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13590271 SRACJVBVUHKCIB-UHFFFAOYSA-N 496.295 3.492 5 40 JGBB Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCc4ccc([N+](=O)[O-])cc4)nn23)cc1 17050954 HGCLQLCWFOEIFS-UHFFFAOYSA-N 484.563 3.154 5 40 JGBB N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(Cl)cc1 100426256 RQZZDKRLSZFNAC-UHFFFAOYSA-N 459.893 3.353 5 40 JGBB CC[C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225117653 GUASEGFDYPWRNJ-INIZCTEOSA-N 478.552 3.174 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408655916 SFOWFGADDJHHDA-KBRIMQKVSA-N 455.492 3.318 5 40 JGBB Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]3[C@@H]3CCCN32)cc1 13557153 XMUPEQLYMANZPM-NBYUQASBSA-N 453.882 3.392 5 40 JGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2F)CC1 20061072 KYDKEBJBHIWLGA-UHFFFAOYSA-N 498.536 3.278 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)cc3)C(=O)[C@@H]2C1 408653970 FTOIDLNILHRZRT-LYZACZEUSA-N 491.500 3.479 5 40 JGBB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 408663759 NJZSBNBTOSJIJJ-UHFFFAOYSA-N 471.466 3.308 5 40 JGBB CC(=O)Oc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)cc1 409371971 NKDSRYSIWQWBOV-FGEXJBCWSA-N 454.438 3.397 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] 3325963 KKNUUSZQDKIYOO-UHFFFAOYSA-N 475.523 3.263 5 40 JGBB CCN1CCN([C@@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 9808359 XIKKXFCHQTWDCM-KRWDZBQOSA-N 454.512 3.392 5 40 JGBB COc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1Cl 10370947 GVFADCIUFRXCJW-LLVKDONJSA-N 457.892 3.059 5 40 JGBB Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(=O)n(-c2ccccc2)n1C 11028660 BDZLNHMTUHFJOR-CYBMUJFWSA-N 458.858 3.230 5 40 JGBB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222723920 RGUJNJZCMTXMAG-GFCCVEGCSA-N 470.309 3.452 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408688945 XGYQHTDREPLLSV-PKOBYXMFSA-N 492.444 3.084 5 40 JGBB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3-c3ccccc3)CC2)cc1[N+](=O)[O-] 12782069 MBGAVHKVDBLETI-UHFFFAOYSA-N 487.559 3.479 5 40 JGBB C[C@@H]1CN(Cc2nc3c(c(=O)c4ccccc4n3C)c(=O)n2CCc2ccccc2)C[C@@H](C)O1 20403598 RPNKQPMXVQJZQD-RTBURBONSA-N 458.562 3.100 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1cccc(OC)c1 100820833 WJEVHUUTFYJJKW-QYQHSDTDSA-N 460.490 3.157 5 40 JGBB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 107567686 JRSOGRVPDNWVHN-UHFFFAOYSA-N 475.958 3.434 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)S(C)(=O)=O 225863783 NLYSXHRDDIFDCZ-UHFFFAOYSA-N 497.942 3.180 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 2620610 SNHGYKPURNCBCB-UHFFFAOYSA-N 490.567 3.157 5 40 JGBB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8902630 WLNHTUWWDRZORK-UHFFFAOYSA-N 450.904 3.220 5 40 JGBB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 9083286 HCHWRKAOKSVMJB-UHFFFAOYSA-N 485.474 3.102 5 40 JGBB COc1ccc(C2=NN(C(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H](c3ccco3)C2)cc1 9703441 LBZGZVLZOXCAJD-FQEVSTJZSA-N 474.429 3.170 5 40 JGBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22576299 FKSGZLTXBUHAJZ-UHFFFAOYSA-N 465.875 3.120 5 40 JGBB CCOCCCn1/c(=N\C(=O)c2cccs2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101120062 FNIFGNLUORFVNY-QLYXXIJNSA-N 480.546 3.055 5 40 JGBB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408653005 PKZIXNHVALOLHV-DZOXSVECSA-N 459.458 3.031 5 40 JGBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)cc1[N+](=O)[O-] 408673284 ZMBHPKAKQGPSIT-GOSISDBHSA-N 497.504 3.251 5 40 JGBB O=C(Nc1ccccc1)C1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 10446538 OYAZKLIUBWLSOH-UHFFFAOYSA-N 452.467 3.160 5 40 JGBB CCN1CCN(Cc2ccccc2CNc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])CC1 32916250 RIMOWKJXGLBOQZ-UHFFFAOYSA-N 489.642 3.421 5 40 JGBB O=c1c2cc3c(=O)n(-c4cccc(Cl)c4)ccc3nc2ccn1CCCN1CCOCC1 38829196 LAAYBUWDFRLRDH-UHFFFAOYSA-N 450.926 3.076 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)[C@@H](CC)c1ccccc1 101176705 ORPBXPIVLSLSRB-OAGTXPOXSA-N 488.544 3.093 5 40 JGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)cc1 408679394 DWJDCTNZCFXBBS-IAGOWNOFSA-N 467.865 3.440 5 40 JGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(F)cc1 408681717 IKVMXEORSJDJRB-CALCHBBNSA-N 453.426 3.149 5 40 JGBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)NCCc2ccccc2)n1C 409145466 QJEPJCVLEUQVHH-NRFANRHFSA-N 496.593 3.301 5 40 JGBB O=C(COC(=O)c1ccc(Cl)cc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 3271115 PKSPAXHGAUFAAW-UHFFFAOYSA-N 481.895 3.333 5 40 JGBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)N1CCc2ccccc21 9510292 YRUMPBJTBQHZCC-GOSISDBHSA-N 491.953 3.232 5 40 JGBB COc1cc(CCNC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c([N+](=O)[O-])cc1OC 9516565 BXOYIFBBJIAQGZ-UHFFFAOYSA-N 470.526 3.280 5 40 JGBB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3cccc([N+](=O)[O-])c3)C2=O)cc1 9602522 LFWNEPMVRMLECB-UHFFFAOYSA-N 490.472 3.046 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NC[C@H](c1ccc(F)cc1)N1CCOCC1 23381270 YJHHMVSWBDOIAI-JOCHJYFZSA-N 478.546 3.004 5 40 JGBB O=[N+]([O-])c1ccc(NCCCCCCCN2CCCC2)c(S(=O)(=O)N2CCOCC2)c1 48287631 DLKYNGHGCHTRCG-UHFFFAOYSA-N 454.593 3.074 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c([N+](=O)[O-])c1 408577034 ZLDFXFKSBKJUQI-UHFFFAOYSA-N 462.846 3.296 5 40 JGBB CC[C@@H](Sc1nnc(CNC(=O)c2ccccc2F)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 9095865 NMIXHPPKOBTLIE-QGZVFWFLSA-N 472.502 3.302 5 40 JGBB O=C(COC(=O)[C@H]1CC(=O)N(c2nc(-c3ccccc3)cs2)C1)c1cccc([N+](=O)[O-])c1 13856793 FMODGQOFQQNDEN-INIZCTEOSA-N 451.460 3.497 5 40 JGBB COCCCn1c(=N)c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3cccc(C)c3nc21 101139735 LOPMDGCZOMWOER-UHFFFAOYSA-N 465.941 3.057 5 40 JGBB CC[C@H](C(=O)Nc1ccc2c(c1)sc(=O)n2CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225117789 UBLTWFUWMDHYOQ-MRXNPFEDSA-N 492.579 3.483 5 40 JGBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 408641285 CITUIKJASOIODC-JHVJFLLYSA-N 479.489 3.407 5 40 JGBB CCOC(=O)c1c(NC(=O)COc2cccnc2[N+](=O)[O-])sc2c1CC(C)(C)NC2(C)C 9492433 VCJYSKHOFWCFKQ-UHFFFAOYSA-N 462.528 3.405 5 40 JGBB Cc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)cs2)cc1 13001184 HMZUIVPOLXFRFA-UHFFFAOYSA-N 472.548 3.173 5 40 JGBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 16091242 XXJLECZCENROMY-NSHDSACASA-N 457.361 3.227 5 40 JGBB Cc1nn(CC(=O)OCC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)c(C)c1[N+](=O)[O-] 21172695 VVGSBESWBGJHPT-GOSISDBHSA-N 482.493 3.093 5 40 JGBB CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 33603094 LNFPIBVZJUIVGI-UHFFFAOYSA-N 498.565 3.227 5 40 JGBB COc1ccc(N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 100219244 YIXYHEGQMKAEQE-CBGDNZLLSA-N 473.551 3.412 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O 223824682 KAURBENJBHGDKH-UHFFFAOYSA-N 493.582 3.468 5 40 JGBB CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)[C@@H]2C1 14943768 COZVZLVOMBYYJR-AVRDEDQJSA-N 469.885 3.034 5 40 JGBB CCCn1/c(=N\C(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 100820826 PCWJVFXSTKJXQR-QYQHSDTDSA-N 489.488 3.194 5 40 JGBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])c(Br)cc1OC 408564408 CQDNUNCVLDSYNX-LPLGYCIKSA-N 476.327 3.378 5 40 JGBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408655834 RWCZZWLCPMWMIV-ORYQWCPZSA-N 461.474 3.483 5 40 JGBB O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 8880652 KQBGGROJVOLQJM-UHFFFAOYSA-N 497.533 3.173 5 40 JGBB O=C(CCCn1c(=O)c2sccc2n(Cc2ccc([N+](=O)[O-])cc2)c1=O)NCc1ccccc1 10433616 QGEXPPCGDJGEFA-UHFFFAOYSA-N 478.530 3.278 5 40 JGBB COc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2=O)c(OC)c1 23080720 LTNAKUPCMCBWTO-CHWSQXEVSA-N 491.884 3.189 5 40 JGBB O=C(Cn1nc2n(c1=O)CCCCC2)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 24972408 VCHURLUTLRGFME-OAQYLSRUSA-N 499.911 3.256 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408684884 OJJUDVDZOOQKKF-IQGAEYHTSA-N 464.434 3.092 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 408690026 ZKDLGEQYPAVJOT-XWRIVVANSA-N 465.437 3.171 5 40 JGBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] 3318068 BDLYZQNUEWESHK-UHFFFAOYSA-N 480.804 3.466 5 40 JGBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] 3550261 UXWVRJRLFLBXLR-UHFFFAOYSA-N 468.487 3.385 5 40 JGBB O=C(COC(=O)CCCN1C(=O)c2ccccc2C1=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9662109 AOKIOFIGZYXHCL-UHFFFAOYSA-N 479.367 3.172 5 40 JGBB O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1)C(c1ccccc1)c1ccccc1 408737728 OGGKWFODJARFSU-DEOSSOPVSA-N 473.529 3.313 5 40 JGBB CC(=O)Oc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1 409371988 NKDSRYSIWQWBOV-ZQFKLAOWSA-N 454.438 3.397 5 40 JGBB COc1cc(-n2c(=O)c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc(OC)c1OC 20152647 KKJWJIIUAQXMQT-UHFFFAOYSA-N 463.446 3.135 5 40 JGBB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 23556558 UWNJRLDLHUMRQM-KRWDZBQOSA-N 468.510 3.112 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1ccc(OC(F)(F)F)cc1 24249386 REBKOJLEOGZNNA-UHFFFAOYSA-N 462.402 3.093 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1ccccc1F 100820863 XMFPAEBYPRXLNE-SLMZUGIISA-N 462.481 3.362 5 40 JGBB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 408663697 BERPMPDGRRJERO-KRWDZBQOSA-N 483.477 3.087 5 40 JGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1cccc(C(F)(F)F)c1 408669174 MZVAXBNDXRXJLS-GFCCVEGCSA-N 451.357 3.148 5 40 JGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11227577 GRMBWCVPBRDXHZ-UHFFFAOYSA-N 453.356 3.046 5 40 JGBB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 16320875 SJHITEXHRZOXAF-UHFFFAOYSA-N 451.917 3.208 5 40 JGBB O=C(CCCCn1c(=O)c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O)NC1CCCC1 20152960 GFIYLLRMKQRNBG-UHFFFAOYSA-N 464.522 3.349 5 40 JGBB O=C(NC(=S)Nc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22575012 NXDBXLBAXUELMP-UHFFFAOYSA-N 465.329 3.321 5 40 JGBB COc1ccc(CCn2c(=N)c(C(=O)NC3CCCC3)cc3c(=O)n4ccccc4nc32)cc1 101047110 XHBJRDDJOAHADX-UHFFFAOYSA-N 457.534 3.052 5 40 JGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 409026602 UADYBVKWFWQGPR-UHFFFAOYSA-N 456.436 3.337 5 40 JGBB C[C@H]1CCCN(S(=O)(=O)c2ccc(NCc3cccnc3-n3cccn3)c([N+](=O)[O-])c2)C1 24660907 ZPKADZPYMWIJCL-INIZCTEOSA-N 456.528 3.208 5 40 JGBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 102076315 XCHFDBDMOSTNOI-XPRTXTSQSA-N 472.453 3.192 5 40 JGBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1c(C)cccc1C 409130693 XIDWOUDWBGCNIY-UHFFFAOYSA-N 468.539 3.484 5 40 JGBB COc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409192468 XRQORRVYSUDBPF-VIZOYTHASA-N 462.256 3.467 5 40 JGBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(c4ccccc4O)CC3)cc2)cc1[N+](=O)[O-] 12520849 PHSGTFXKLGUYHD-UHFFFAOYSA-N 496.545 3.372 5 40 JGBB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 26963208 YJJBNANEIFAFLK-UHFFFAOYSA-N 466.446 3.395 5 40 JGBB COc1cc(OC)cc([C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c2nccn2C)c1 29130354 IZUHVIWJGPSYLP-NRFANRHFSA-N 451.483 3.439 5 40 JGBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408642467 DXIMYQKIHOMMCR-LVNJIZSUSA-N 479.876 3.295 5 40 JGBB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])cc1 408666746 PGZARAXTTXTIGM-UHFFFAOYSA-N 459.455 3.293 5 40 JGBB CCCCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nc2cc(S(N)(=O)=O)ccc21 6199012 RKMKGZAOTILEKL-UHFFFAOYSA-N 477.568 3.431 5 40 JGBB Cc1cc(Cl)c2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21 8969498 USJBZSAYAXICMV-FVJVTNMWSA-N 480.908 3.296 5 40 JGBB C[C@@H](NC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1)c1ccc2c(c1)CCCC2 9118543 GZFJXXDZAYKAGC-MRXNPFEDSA-N 486.594 3.215 5 40 JGBB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 9426445 QCKUOZPAILZAIG-UHFFFAOYSA-N 496.545 3.367 5 40 JGBB COc1ccc(CCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC 20451998 XSBVGGWDSOOEEY-UHFFFAOYSA-N 499.545 3.166 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 59418474 PGWDGRKOXFQEBR-ZMUHTPIZSA-N 499.932 3.066 5 40 JGBB Cc1ccc(Cn2c(=N)c(C(=O)NCc3ccco3)cc3c(=O)n4cccc(C)c4nc32)cc1 100851456 BWCALZORGLWZFP-UHFFFAOYSA-N 453.502 3.317 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408657481 UIDGRMKMIMAGMS-JSNMRZPZSA-N 494.460 3.164 5 40 JGBB C[C@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCC(=O)Nc4nccs4)n32)C1 9307998 YMQIHUCKKQVFDX-VIFPVBQESA-N 456.582 3.299 5 40 JGBB CC1=C[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2c2ccccc21 13551495 DRNYDDWCKMAVEX-GXWFBMCDSA-N 487.512 3.232 5 40 JGBB O=C1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1 40399304 FRUNOYRYAFWMHC-AWEZNQCLSA-N 454.830 3.140 5 40 JGBB O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3)c2)cc1 1760707 NVCBOTPTTJQCMR-UHFFFAOYSA-N 480.432 3.038 5 40 JGBB COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CC[C@H](C)C[C@H]43)C2=O)cc1 9123019 VIQRCMMTSGIJPY-OSZRXVRWSA-N 464.478 3.034 5 40 JGBB Cc1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cccs2)cc1 9741933 QTXISMSXRUMHHD-IBGZPJMESA-N 466.562 3.458 5 40 JGBB COc1cc([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(OC)c1OC 12361857 WOZFHLWBFUFMAO-OAQYLSRUSA-N 473.507 3.216 5 40 JGBB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C2)cc1 13683022 UYLJFMLEIDDKAB-CYBMUJFWSA-N 453.904 3.296 5 40 JGBB O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14269899 LHLWBKNVNCZMPN-UHFFFAOYSA-N 455.540 3.158 5 40 JGBB Cc1onc(C(=O)Nc2ncn(Cc3c(Cl)cccc3Cl)n2)c1Cn1cc([N+](=O)[O-])cn1 22713387 VBKKDGHCOZAEHB-UHFFFAOYSA-N 477.268 3.335 5 40 JGBB C[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccccc1Br 35283962 KQLYBSUVHVIBEZ-CQSZACIVSA-N 483.388 3.467 5 40 JGBB O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 229873495 XLHBWNLYYZPSFT-UVUJQTEASA-N 455.426 3.461 5 40 JGBB Cn1c(=O)n(C)c2cc(N3CCN(c4ccccc4)CC3)c(NC(=O)c3ccccc3[N+](=O)[O-])cc21 408534692 WKFXMJYIBZLMHX-UHFFFAOYSA-N 486.532 3.364 5 40 JGBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(Cc4cccc(F)c4)c(=O)c3cc2c1=O 40399121 PCMZOSHGAKQXRQ-UHFFFAOYSA-N 473.464 3.096 5 40 JGBB N=c1c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1 101089715 ZGBSXIGPKCUENM-UHFFFAOYSA-N 493.523 3.030 5 40 JGBB COc1ccc(OC)c([C@@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 225255233 DCXJZNCXBIBRCY-OAHLLOKOSA-N 465.528 3.036 5 40 JGBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])c(Br)cc1OC 408567812 RLCGTBHCZLKFAM-XIPZIUJHSA-N 476.327 3.425 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2)CC1 8774909 MIARGMZUGISONA-HNNXBMFYSA-N 493.513 3.013 5 40 JGBB Cn1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2nc(O)n(-c3ccc(Cl)cc3)c(=O)c21 9820026 LTQFBWOIFCKDML-UHFFFAOYSA-N 457.805 3.383 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)CC1 12764021 SQFBPYQQYOBOJF-UHFFFAOYSA-N 497.577 3.148 5 40 JGBB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 24984399 YYRBSDDPVWJXHT-QGZVFWFLSA-N 451.502 3.451 5 40 JGBB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nn12 408573073 LQXWZPYAQNUGAS-UHFFFAOYSA-N 465.495 3.158 5 40 JGBB O=C(CCc1nnc2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n12)Nc1ccc(Cl)c(Cl)c1 8655966 AADOIMISQIGMMK-CXUHLZMHSA-N 490.328 3.485 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 13000849 AOWHFYDDYLSWPI-UHFFFAOYSA-N 460.487 3.204 5 40 JGBB CCCn1/c(=N\C(=O)COc2ccc(Cl)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103627864 DHKPPHQGYGPHRH-NFFVHWSESA-N 494.935 3.396 5 40 JGBB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408661720 HGNCEXACWWWMBE-UHFFFAOYSA-N 457.439 3.062 5 40 JGBB Cc1nc2c(c(=O)n1C[C@H]1CCCO1)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCO2 2254037 BNCBBGKFXUTDEJ-MRXNPFEDSA-N 455.474 3.500 5 40 JGBB CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1OCC 89960328 HJVZAJAZXKPBCH-UHFFFAOYSA-N 491.566 3.237 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1ccc(F)cc1 101176912 KXAYOQAOVZUTQP-FAJYDZGRSA-N 486.459 3.347 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)S(C)(=O)=O 224097655 HNERBADZILMQLW-UHFFFAOYSA-N 481.943 3.480 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1 408669505 WHGMFDDVWFBFGP-UHFFFAOYSA-N 489.440 3.195 5 40 JGBB Cc1c(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 12344445 YFGCULNQLFSZOQ-VQHVLOKHSA-N 489.444 3.185 5 40 JGBB Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)n1 13425232 GWHHYUGFRXFGDN-UHFFFAOYSA-N 459.557 3.462 5 40 JGBB O=C(NC1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1)c1ccc(F)cc1 25211848 UMKMCOTUGGOKNK-UHFFFAOYSA-N 454.502 3.371 5 40 JGBB O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1 40149401 HUZRHBJKDOXCFY-OAHLLOKOSA-N 493.973 3.283 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] 58167760 NGKNMOFKRMMJIT-UHFFFAOYSA-N 452.920 3.485 5 40 JGBB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)COc3c(C)cccc3C)n2C)cc1[N+](=O)[O-] 409058021 ROXDOJAHYJKFFQ-UHFFFAOYSA-N 498.565 3.075 5 40 JGBB CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C3)cc1 3009161 OHFWVFSRNRNTEI-UHFFFAOYSA-N 456.480 3.248 5 40 JGBB COc1cc(C(=O)NCCc2csc3nc(-c4cccs4)nn23)c([N+](=O)[O-])cc1OC 9569545 SEPVUXFMQBJSAX-UHFFFAOYSA-N 459.509 3.417 5 40 JGBB CCOCCCn1/c(=N/C(=O)c2cccc(C)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 11690850 QDDHQCYARHHJGO-RMLRFSFXSA-N 488.544 3.302 5 40 JGBB O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)Nc1cc([N+](=O)[O-])ccc1F 12569369 AIPACVAVRQPUKO-DEOSSOPVSA-N 462.437 3.362 5 40 JGBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1 15881686 ISZGXIYRWODWBB-NRFANRHFSA-N 474.514 3.169 5 40 JGBB O=C(OCc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 25112456 HQQPBVPDRUDICA-UHFFFAOYSA-N 475.306 3.280 5 40 JGBB COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccccc3)c2=N)cc1 101106603 VYYDCHBOINRIFM-UHFFFAOYSA-N 479.540 3.158 5 40 JGBB CCOC(=O)C1=C(C)N=C(N[N+](=O)[O-])N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731540 NNLWFHACTYQYFO-NRFANRHFSA-N 499.480 3.191 5 40 JGBB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 12517241 IJRCTDWSOTWNSC-KRWDZBQOSA-N 473.961 3.164 5 40 JGBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1[N+](=O)[O-] 33914398 CBTMGFQGJWVLQM-UHFFFAOYSA-N 469.498 3.464 5 40 JGBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)N[C@@H](C)c1ccccc1 409147183 VFDRXZNWWZSJHW-HNNXBMFYSA-N 468.539 3.106 5 40 JGBB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1=O 2634188 FXMSBMRLCVFZEK-GOSISDBHSA-N 455.229 3.446 5 40 JGBB COc1ccccc1[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13504003 XBQZWFKFFKCTDB-NRFANRHFSA-N 451.531 3.257 5 40 JGBB CCN1CCN(C(=O)[C@@H](C)OC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 32865438 IKOAELRUPJZUAU-LJQANCHMSA-N 491.548 3.086 5 40 JGBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)[C@@H]2[C@@H](C)O1 102777860 YUIRQXJSEOGENO-UCSKIROJSA-N 484.896 3.056 5 40 JGBB Cc1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c([N+](=O)[O-])n1 9465116 HKPIPIJYUYQNEM-UHFFFAOYSA-N 460.796 3.446 5 40 JGBB Cc1cc(C)c(NC(=O)CNC(=O)CN2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(C)c1 12515763 ZZXATFXTKJNIOE-UHFFFAOYSA-N 473.961 3.050 5 40 JGBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2cccc([N+](=O)[O-])c2)CN1C 36331949 PELVCMHDFSMXKJ-OPJGWUQDSA-N 458.474 3.374 5 40 JGBB C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O 2644703 NNRBRTSVSONAMB-IBGZPJMESA-N 462.256 3.191 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3372735 TXAJKDGFNXRQGQ-ZDUSSCGKSA-N 493.428 3.177 5 40 JGBB C[C@@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCCCN1CCOCC1 8792335 OFCSTMCCCZFMDP-GOSISDBHSA-N 484.556 3.198 5 40 JGBB biogenic CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 10702775 UZQJMHNZEITLRT-UHFFFAOYSA-N 453.499 3.254 5 40 JGBB O=C(C[C@H]1SC(N2N=C(c3ccccc3)SCC2=O)=NC1=O)c1cccc([N+](=O)[O-])c1 16758363 CKXACQALDDZEQA-MRXNPFEDSA-N 454.489 3.103 5 40 JGBB O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1N1CCOCC1 22576305 TWLHTCQIVZBKTM-UHFFFAOYSA-N 465.875 3.120 5 40 JGBB CCOC(=O)C1=C(CN2CCN(c3cccc(Cl)c3)CC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 67286379 UMGHHEDJMJFTGH-JOCHJYFZSA-N 499.955 3.242 5 40 JGBB CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 408671452 YCZOICMLTILERD-SFHVURJKSA-N 497.504 3.477 5 40 JGBB CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1C 9984505 WBEQCBJXOWDGPQ-HNNXBMFYSA-N 463.512 3.118 5 40 JGBB COc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1Br 16226677 FPAXDRHGXZMTIW-UHFFFAOYSA-N 455.246 3.401 5 40 JGBB CC1CCN(S(=O)(=O)c2ccc(N3CCC(c4nnc5ccccn45)CC3)c([N+](=O)[O-])c2)CC1 18060897 KVSAOEHLXCJSEK-UHFFFAOYSA-N 484.582 3.442 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408651169 NDHFHNKQLQQLMQ-VQTJNVASSA-N 492.444 3.084 5 40 JGBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1cccc(C(F)(F)F)c1 408669175 MZVAXBNDXRXJLS-LBPRGKRZSA-N 451.357 3.148 5 40 JGBB Cc1cccc(-n2nc([N+](=O)[O-])c(Nc3ccc(I)cc3C)[n+]2[O-])c1 16349917 XPDGGYUJDCVZIE-UHFFFAOYSA-N 451.224 3.379 5 40 JGBB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)cc1[N+](=O)[O-] 21124667 NESJLCVDJKGUBB-UHFFFAOYSA-N 452.389 3.067 5 40 JGBB Cn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409341107 CQDJSRRCWVZOGG-UHFFFAOYSA-N 460.903 3.038 5 40 JGBB CN(C(=O)CSc1nc(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 5981482 ACIYYLWVSCUYEQ-LJQANCHMSA-N 486.575 3.185 5 40 JGBB CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)nn12 8832762 KGSGVJVRTCVYKR-UHFFFAOYSA-N 497.562 3.137 5 40 JGBB C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 10531979 GSVDRXQOUKQJTF-LBPRGKRZSA-N 482.415 3.216 5 40 JGBB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 15924582 ADIBMOLBPVADNL-UHFFFAOYSA-N 480.546 3.382 5 40 JGBB O=C(CNC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1)OCc1ccccc1 408738158 QBEVRLJJSQQSLR-HSZRJFAPSA-N 491.500 3.292 5 40 JGBB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1=S 409168620 NBNBOBRRUSQJJT-UHFFFAOYSA-N 454.512 3.219 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409177316 DJRCZNSOOLTPBJ-FNUHDPNESA-N 493.541 3.024 5 40 JGBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(=O)n3c(nc2c1)CCCCC3 3531406 GZJRRVQMERAIMI-UHFFFAOYSA-N 451.435 3.255 5 40 JGBB O=C(COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 11760204 JLVZUTXUZIXBEM-UHFFFAOYSA-N 494.382 3.307 5 40 JGBB COC(=O)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18125510 HRZYQCWAWVJHII-FSSWDIPSSA-N 473.441 3.433 5 40 JGBB Cc1onc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1Cn1cc([N+](=O)[O-])cn1 22714306 RVQSSPYVDQHUJG-UHFFFAOYSA-N 478.431 3.113 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=CC=NN12 103534232 WORYSKVAVHYIQX-MKXGPGLRSA-N 484.390 3.211 5 40 JGBB COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 222897646 LUSGDTCGAFLFDK-OAHLLOKOSA-N 461.490 3.453 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408684135 MWJFFSIOBNLGRZ-PMACEKPBSA-N 465.437 3.315 5 40 JGBB O=C(NN1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O)c1ccc(Br)cc1 95470907 YFPKQCMQBXSEQE-UHFFFAOYSA-N 485.206 3.360 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1cccs1 101397803 GZXGCLJJPXESTN-QLYXXIJNSA-N 474.498 3.270 5 40 JGBB CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 408652688 GSJXGOGGCUUZES-QGZVFWFLSA-N 483.477 3.005 5 40 JGBB O=C(NN1C(=O)c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C1=O)c1cccc([N+](=O)[O-])c1 3044986 BKGUIQSVABWQQO-UHFFFAOYSA-N 485.206 3.360 5 40 JGBB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 8826256 HSBRIEAMAMBVHM-UHFFFAOYSA-N 462.388 3.283 5 40 JGBB COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9064695 QQNSGBFLBRJHIW-UHFFFAOYSA-N 450.904 3.220 5 40 JGBB O=C(NCCN1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 12537853 BTJYRRLIMGJGMA-UHFFFAOYSA-N 452.555 3.116 5 40 JGBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)ccc1OCC(N)=O 79189690 QRYBKVLTHWUPMA-UHFFFAOYSA-N 462.462 3.450 5 40 JGBB biogenic CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1=O 23953974 KNNSLMSABYTLTN-HSZRJFAPSA-N 451.483 3.087 5 40 JGBB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)n1 38771928 LUHRKVKNUGTMLD-UHFFFAOYSA-N 473.536 3.366 5 40 JGBB CCc1ccc(OCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 224854788 JLMBLHPABQTIBM-UHFFFAOYSA-N 463.556 3.207 5 40 JGBB CCOc1cc(Br)c([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC 408570064 YKHRVHJUFULXGO-DRWCTHJISA-N 476.327 3.378 5 40 JGBB O=C(NC(=S)Nc1ccccc1OC(F)F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8831335 VSRGPQPCHIVJOJ-UHFFFAOYSA-N 452.439 3.160 5 40 JGBB CC[C@H](Sc1nnc(CNC(=O)c2ccccc2F)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 9583146 OIVXGOHTHIKIFG-KRWDZBQOSA-N 472.502 3.302 5 40 JGBB O=C(c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCN(Cc2ccccc2)CC1 17357722 WTKFVFCARFRJFP-UHFFFAOYSA-N 481.530 3.321 5 40 JGBB CCOc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)cc1[N+](=O)[O-] 108042456 XZTJMNKXEVBMTJ-QPEQYQDCSA-N 494.254 3.229 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccccc3Cl)CC2)c([N+](=O)[O-])c1 408574462 QXBZGEPPTMEBGB-UHFFFAOYSA-N 476.942 3.262 5 40 JGBB O=C(Oc1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408649730 ABQPIGWBMRVLGO-LPTQZCDUSA-N 475.457 3.009 5 40 JGBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1[N+](=O)[O-] 408664552 CGTOBAHAFXHNTG-ZDUSSCGKSA-N 465.384 3.457 5 40 JGBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1 409371975 NKDSRYSIWQWBOV-QQNJPBSNSA-N 454.438 3.397 5 40 JGBB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(-c3cccc([N+](=O)[O-])c3)o1)[C@@H]1C(=O)c3ccccc3C1=N2 105512827 HXELXXMDQDOSIH-UXHICEINSA-N 482.452 3.331 5 40 JGBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)CCC1=O)c1ccc([N+](=O)[O-])cc1 408664091 YRILBZVJALVULR-UHFFFAOYSA-N 450.234 3.291 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CSCC(=O)Nc1ccc(Cl)cc1 8824789 CKDPEXQKNZFKIK-UHFFFAOYSA-N 467.887 3.110 5 40 JGBB O=C(Nc1nnc(-c2ccccc2)o1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 13028785 SSUBBWYMPBYLSZ-UHFFFAOYSA-N 491.913 3.338 5 40 JGBB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] 15545989 KFUCOMMTSZWDEN-HXUWFJFHSA-N 458.902 3.467 5 40 JGBB O=C(NC[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)c1ccc(Cl)cc1Cl 169683676 KGKISOOXXVBSEF-FOUBCARRSA-N 488.283 3.145 5 40 JGBB CCc1nnc(NC(=O)CSc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3C)s2)s1 9369132 FWSGNBFNBFAKIA-UHFFFAOYSA-N 465.542 3.152 5 40 JGBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-] 9402850 OINWRMDSCSENST-UHFFFAOYSA-N 453.480 3.011 5 40 JGBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2nc(O)c3cnn(-c4ccc(C)c(C)c4)c3n2)n1 17053559 DSONLMXPSYGIPL-UHFFFAOYSA-N 474.437 3.386 5 40 JGBB Cc1cc(=O)c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)nn1-c1ccccc1[N+](=O)[O-] 24648204 QGVWLBOGWNHCQD-UHFFFAOYSA-N 490.303 3.467 5 40 JGBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@H](c2cccc([N+](=O)[O-])c2)CN1C 36543784 PELVCMHDFSMXKJ-UWUFEASWSA-N 458.474 3.374 5 40 JGBB O=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619110 FKYVSPFSIYOKDY-UHFFFAOYSA-N 458.413 3.336 5 40 JGBB Cc1ccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1C 224862070 DHAZHGOTHWTCFD-UHFFFAOYSA-N 463.556 3.261 5 40 JGBB CC(=O)Nc1cc(CCNC(=O)c2ccccc2)c([N+](=O)[O-])cc1CCNC(=O)c1ccccc1 3845571 MJWAPZBMEIOHKC-UHFFFAOYSA-N 474.517 3.498 5 40 JGBB biogenic C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 9613529 XXGAWARGCFZYGQ-NSHDSACASA-N 469.372 3.367 5 40 JGBB COc1ccc(C(=O)N/C(=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)N2CCCCC2)cc1 13633002 XSFFVSSIHRNAJP-UYRXBGFRSA-N 469.494 3.404 5 40 JGBB CCOc1cc(Br)c(Br)c(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c1O 33407408 PMFMYEZMFRZSKR-ONEGZZNKSA-N 477.065 3.183 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1C 100820835 MBPLIMXHBYLCRO-QYQHSDTDSA-N 489.488 3.365 5 40 JGBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102086744 XZPDBALEIIYFAU-RPEUOYKBSA-N 457.486 3.198 5 40 JGBB CCN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)C1=O 409358710 NKTFBSJTXNJCQU-WJDWOHSUSA-N 464.477 3.427 5 40 JGBB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(C)=O)CC3)c(Cl)c2)cc1[N+](=O)[O-] 8897558 ZANIBJPCOVXWPJ-UHFFFAOYSA-N 491.957 3.052 5 40 JGBB C[C@H]1CCN(C(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c2ccccc2S1 13038654 OWMLXKUANZZDSN-ZDUSSCGKSA-N 464.521 3.073 5 40 JGBB O=C1N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 13303044 BDZZOBYCZZXJNK-HBUWYVDXSA-N 475.326 3.300 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)Cc1ccccc1 31937012 VAKZDEUDLOJFKG-COOPMVRXSA-N 458.518 3.152 5 40 JGBB CCN(Cc1cccc(F)c1)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57696934 JNLZZVMUYVMCIK-UHFFFAOYSA-N 451.502 3.453 5 40 JGBB CC[C@@H](C(=O)NCCOc1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224037254 DBJNLOKIAJRJFT-IBGZPJMESA-N 463.556 3.260 5 40 JGBB CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408671126 SWPWQDBHBLPVRS-KRWDZBQOSA-N 483.477 3.005 5 40 JGBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 409239989 PDEANYMZIJIQLQ-LDADJPATSA-N 492.444 3.403 5 40 JGBB O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCc1cc(=O)oc2ccc3ccccc3c12 3339601 TXBYAXNCBYQIFY-UHFFFAOYSA-N 462.483 3.118 5 40 JGBB CC(C)(C)OC(=O)NN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 8771022 RSTAFMPVVFQLRI-DENIHFKCSA-N 491.504 3.201 5 40 JGBB biogenic CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1[N+](=O)[O-] 32125152 KPNPDHUEIZRTAQ-UHFFFAOYSA-N 499.593 3.425 5 40 JGBB O=C(COC(=O)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 100353913 ONQXNVUKIAVVSY-UHFFFAOYSA-N 454.145 3.213 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)[C@@H](C)Oc1ccccc1 103627988 UYPWESQSALDJSN-JEYGNYHASA-N 474.517 3.302 5 40 JGBB COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 103640289 CXORZIXYLGMBKX-LIRRHRJNSA-N 450.875 3.378 5 40 JGBB CC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225175232 ZQXFVODGTWYNCH-HNAYVOBHSA-N 479.555 3.342 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1nc(CNC(=O)c2ccccc2C)n(C)c1=S 409154567 OZYZMMHZUOQIOX-UHFFFAOYSA-N 454.512 3.045 5 40 JGBB CC(=O)Nc1nc(OCCc2ccc([N+](=O)[O-])cc2)c(I)cc1[N+](=O)[O-] 504354560 UCENSQKJICXIIU-UHFFFAOYSA-N 472.195 3.083 5 40 JGBB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1 914474 CKOSRNVHILYDCC-FQEVSTJZSA-N 471.535 3.423 5 40 JGBB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 3272873 HDQRSBASPQRNBN-OAHLLOKOSA-N 469.523 3.169 5 40 JGBB CNc1ccc(C(=O)c2ccccc2C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1[N+](=O)[O-] 12561616 MUEDEROJQRGFOB-UHFFFAOYSA-N 479.537 3.231 5 40 JGBB O=C(c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 25423562 FCWKUJARAIKALZ-UHFFFAOYSA-N 491.529 3.118 5 40 JGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 408688141 VUUNRKUSJIIEBX-UHFFFAOYSA-N 474.385 3.039 5 40 JGBB C[C@H](OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3298232 DKRAEHZCNDXAOM-ZDUSSCGKSA-N 456.842 3.037 5 40 JGBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H](c1ccc(F)cc1)N1CCOCC1 23409058 WYAOOXNQBVMTMV-LJQANCHMSA-N 470.423 3.354 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCc1cccnc1-n1ccnc1 30587471 VOTFFSDYDYZGEN-UHFFFAOYSA-N 456.528 3.352 5 40 JGBB O=C(NCCOCCOCCOCCOCCO)c1ccc2ccc3cccc4ccc1c2c34 575408806 DESHAVYJGOEYTK-UHFFFAOYSA-N 465.546 3.373 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)OCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 13159100 WOKFVVLOLKEMAE-HOTGVXAUSA-N 490.534 3.332 5 40 JGBB COc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2C(=O)O)cc1[N+](=O)[O-] 16227701 GVLCEDKOTAEOBX-UHFFFAOYSA-N 454.258 3.191 5 40 JGBB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCc1cn(-c2ccccc2)nc1-c1ccccc1 21932952 NZCDIUAFKUTFDK-UHFFFAOYSA-N 483.484 3.489 5 40 JGBB Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 35851644 MMBCUTPJVMZYSX-SYSFZUQMSA-N 480.908 3.296 5 40 JGBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccccc1[N+](=O)[O-] 107567646 AOGOKFJPSFCTHN-UHFFFAOYSA-N 498.565 3.330 5 40 JGBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@H](C)NC(=O)c1ccccc1 409131492 JOUIVWYBDAAMQL-AWEZNQCLSA-N 454.512 3.428 5 40 JGBB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 409179906 PNSMSIMXVNXRHW-UHFFFAOYSA-N 488.408 3.360 5 40 JGBB CC(C)(C(Br)(Br)[N+](=O)[O-])C(Br)(Br)[N+](=O)[O-] 1769244 LJLWPFNPICOWHR-UHFFFAOYSA-N 477.729 3.453 5 40 JGBB O=[N+]([O-])c1ccc(NCc2ccccc2OC(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1 12528287 KWQPCMPRXBJEEA-UHFFFAOYSA-N 461.418 3.126 5 40 JGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 24641346 ZCPNCBNZFGHRDA-AWEZNQCLSA-N 459.524 3.461 5 40 JGBB COc1cccc([C@@H]2[C@H](Oc3cccc([N+](=O)[O-])c3)C(=O)N2CC(C)(C)N2CCOCC2)c1 48232101 HFIDGUTXYWGZKK-YADHBBJMSA-N 455.511 3.045 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408666045 SBPAMYOJMLLKAQ-KDURUIRLSA-N 465.462 3.378 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408685655 PRBWFLDAVHHDBA-RTBURBONSA-N 450.407 3.012 5 40 JGBB Cc1c(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)cccc1[N+](=O)[O-] 3594213 QWFFROBVWQMHLV-LJQANCHMSA-N 461.272 3.071 5 40 JGBB COc1ccc(CNC(=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)cc1 12464977 XNGZKLFTRSTWKP-HXUWFJFHSA-N 455.854 3.159 5 40 JGBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc([C@@H]5CCCN(S(C)(=O)=O)C5)nc34)c12 13644060 WLAZORHLQDGLSB-SNVBAGLBSA-N 470.502 3.353 5 40 JGBB Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@H]43)C2=O)c(C)c1 102782711 LCICRFYDKGVTOL-FCRVGAKHSA-N 478.505 3.019 5 40 JGBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222891915 XHVIVGQVRPABFV-FQEVSTJZSA-N 473.526 3.323 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)c2)c1 408655037 CMCBCKNBRUEEHM-ZMYBRWDISA-N 495.488 3.325 5 40 JGBB COc1ccccc1N(CCOC(=O)c1ccc([N+](=O)[O-])cc1)C1=NS(=O)(=O)c2ccccc21 666772 CARPELKGVQHSKC-UHFFFAOYSA-N 481.486 3.416 5 40 JGBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 3499652 SMFMHNCGKRUUPW-UHFFFAOYSA-N 481.914 3.218 5 40 JGBB NC(=O)c1ccc(SCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c([N+](=O)[O-])c1 39536324 QIRJLGJMFUIWNQ-UHFFFAOYSA-N 464.503 3.355 5 40 JGBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2N2CCOCC2)C1=O 409210028 DCCFEPVTNMAUGK-DEDYPNTBSA-N 498.517 3.115 5 40 JGBB O=C(NC(=S)Nc1ccc(I)cn1)c1cc([N+](=O)[O-])ccc1Cl 9009591 RXGYLQBTOXRPOA-UHFFFAOYSA-N 462.656 3.375 5 40 JGBB O=C1N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 9090193 ALBWRWVEOLCMFT-HWWQOWPSSA-N 481.355 3.362 5 40 JGBB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)Nc1ccc([N+](=O)[O-])cc1Cl 13572334 PCGNGMNNVHLPEM-OLZOCXBDSA-N 478.983 3.486 5 40 JGBB COc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1 20610030 DROYPJSRXZNOIW-UHFFFAOYSA-N 474.477 3.426 5 40 JGBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2[C@@H](C)O1 102778616 AALPIVGVOKXZLY-UCSKIROJSA-N 484.896 3.056 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(C)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408640450 AZYVEYGVCUMBHJ-RTWAWAEBSA-N 461.474 3.485 5 40 JGBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9064700 LXPXJOZYBHZSCT-UHFFFAOYSA-N 465.875 3.120 5 40 JGBB Cc1nc2ccccn2c1P(=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N1CCOCC1 9090703 CFDTYTFTDSIQQJ-UHFFFAOYSA-N 470.470 3.204 5 40 JGBB CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)o2)cc1 9518645 RPJKWHGJISJTEO-UHFFFAOYSA-N 471.495 3.346 5 40 JGBB CCOC(=O)c1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(Cl)c1 20111393 OLCVTFSVVYWLGS-UHFFFAOYSA-N 469.903 3.138 5 40 JGBB CC[C@H](Sc1nnc(CC(=O)Nc2ccccc2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 9583188 HJIVWFFSRQXYGS-KRWDZBQOSA-N 454.512 3.414 5 40 JGBB CCOC(=O)C1=C(CN2CCN(c3cc(C)ccc3C)CC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286347 XWCRLVOGLPQJIW-DEOSSOPVSA-N 493.564 3.205 5 40 JGBB Cc1ccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl 224179422 DGYDFUOQQUYYOW-UHFFFAOYSA-N 469.947 3.298 5 40 JGBB CC(C)c1ccc(OCC(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1 409175123 QGASTUGDMRYWKH-UHFFFAOYSA-N 498.565 3.273 5 40 JGBB CCOCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 1884334 HKVIUPIQSODDBZ-XUZZJYLKSA-N 462.506 3.188 5 40 JGBB biogenic O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)Nc1cc([N+](=O)[O-])ccc1F 2652011 XPCRWHODMTVGFX-UHFFFAOYSA-N 487.465 3.008 5 40 JGBB COc1ccc(NC(=O)COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1 9127650 BNSROCJOYIZRAJ-UHFFFAOYSA-N 457.361 3.225 5 40 JGBB O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9507802 QSDGXLZFYAYOPH-UHFFFAOYSA-N 473.283 3.322 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 9635098 BEMCXMHSCBYXMP-UHFFFAOYSA-N 476.555 3.023 5 40 JGBB COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@@H]43)C2=O)cc1 12420780 OYXOJEHXLWFDSD-HYBUGGRVSA-N 464.478 3.178 5 40 JGBB COC(=O)c1sc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)nc1C 14269563 JDGIJDZFUVPDOA-UHFFFAOYSA-N 463.541 3.263 5 40 JGBB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O 101125418 HZOKNNUDXLLVKD-BDTNDASRSA-N 479.420 3.499 5 40 JGBB O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C(=O)c1ccccc1F)[C@H]1OC(=O)[C@H]2C=CC=C[C@H]21 102951173 ZPJRZGXHUHSGBE-VFIVLBOOSA-N 464.405 3.024 5 40 JGBB CC1=C[C@@H]2[C@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]3[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N2c2ccccc21 103460806 CLGKSYUBPOAEEQ-UZZNCIHVSA-N 487.512 3.232 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408683135 KMAGPIHJUFOZAV-XMCHAPAWSA-N 466.450 3.482 5 40 JGBB O=C(COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(Cl)cc1C(F)(F)F 2658626 XVRYCTGRVMCTGT-UHFFFAOYSA-N 499.785 3.435 5 40 JGBB O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)Nc1ccc([N+](=O)[O-])cc1 9562268 SKDXWVVAQVBJRG-UHFFFAOYSA-N 461.477 3.253 5 40 JGBB CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(CC)CC2)cc1[N+](=O)[O-] 10059888 YQMTYXIKNBXBGS-UHFFFAOYSA-N 456.499 3.174 5 40 JGBB O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)OCc1cc(=O)oc2ccc3ccccc3c12 10069671 RWGYVTIJPQFUNX-UHFFFAOYSA-N 495.509 3.129 5 40 JGBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(-c4ccc(C)cc4)c(=O)c3cc2c1=O 40399124 PYVBYSSYLCJFDW-UHFFFAOYSA-N 455.474 3.206 5 40 JGBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1 408688982 XIEAOLPQANSGBI-VUEDXXQZSA-N 479.876 3.295 5 40 JGBB CC(C)(C)SCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 408921742 WLLJNEPWXYOWEJ-UHFFFAOYSA-N 451.570 3.438 5 40 JGBB O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9662937 UJDCFAUQWMSQFB-UHFFFAOYSA-N 484.509 3.497 5 40 JGBB CCCCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9884209 ODEUVDFUTXFZRV-UHFFFAOYSA-N 471.901 3.176 5 40 JGBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22716599 CUGFDUIIRVDRDA-UHFFFAOYSA-N 479.902 3.428 5 40 JGBB CCOc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c(Br)c(Br)c1O 33601494 GSVMDHQTNASDOR-ONEGZZNKSA-N 477.065 3.183 5 40 JGBB Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21 35851748 SNEZOXROAPVRQK-ZVVFGRKBSA-N 480.908 3.296 5 40 JGBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225375387 BSEPWNOXPBDRIA-SJORKVTESA-N 473.526 3.323 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)c1 408642476 DXQHFMPAFOTZDO-SFTDATJTSA-N 477.473 3.185 5 40 JGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1cccc(Cl)c1Cl 408670527 QXRHNBNDYXTFQE-LLVKDONJSA-N 452.250 3.436 5 40 JGBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 8718841 YWCRWDLVRZTDNB-MRXNPFEDSA-N 466.588 3.306 5 40 JGBB COC(=O)c1cc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@H]2CCCO2)cc([N+](=O)[O-])c1 21337011 RDICGNFFSFMBSE-HXUWFJFHSA-N 469.494 3.258 5 40 JGBB COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CC[C@H](C)C[C@@H]43)C2=O)cc1 102774260 VIQRCMMTSGIJPY-FDORUFNTSA-N 464.478 3.034 5 40 JGBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223277336 RVVLPMXOLNXTMO-MRXNPFEDSA-N 461.490 3.455 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408681673 IDPFHPSEMSTABE-CCKFTAQKSA-N 466.450 3.482 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1c(F)cccc1Cl 101176739 ZSSBWWCYEZPGCY-HFTWOUSFSA-N 498.898 3.006 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1nnc(-c2ccccc2)s1)S(C)(=O)=O 260800762 WPHASNZSDSEPGU-CYBMUJFWSA-N 461.525 3.215 5 40 JGBB Cc1ccc(C)c(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2C)c1 409148800 RWKYROMMGJXWML-UHFFFAOYSA-N 454.512 3.001 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 15938983 NHLQWTDDOZDGGM-BUDOKORBSA-N 499.932 3.066 5 40 JGBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 19683812 PNBXGBDMHOHHDB-UHFFFAOYSA-N 450.826 3.173 5 40 JGBB CCN(CC)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 22564407 ZKJZHDJWPXXPPG-UHFFFAOYSA-N 457.556 3.404 5 40 JGBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 102076311 XCHFDBDMOSTNOI-HUCDYXQFSA-N 472.453 3.192 5 40 JGBB O=C(Oc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408670455 SKKGRQNIUXRJPK-FJSPMQPASA-N 489.484 3.089 5 40 JGBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(Cl)cc1 408688981 XIEAOLPQANSGBI-PBFVBANWSA-N 479.876 3.295 5 40 JGBB Cc1ccc(C)c(S(=O)(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 12521008 SHXRVFWVGZGTCM-UHFFFAOYSA-N 453.523 3.302 5 40 JGBB CN(CC(=O)Nc1ccccc1Br)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 24992887 DXPWSNLHQWFNEZ-UHFFFAOYSA-N 493.314 3.028 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1ccccc1 100820912 ZLSLASGVNOXYTK-NFFVHWSESA-N 468.469 3.208 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1C 408641279 CHHVZVXRNLWXMF-NHCUHLMSSA-N 461.474 3.403 5 40 JGBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1cccc([N+](=O)[O-])c1 408650703 MTCYMNYRWZUPTI-LRGYGIHKSA-N 479.876 3.295 5 40 JGBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1 409371981 NKDSRYSIWQWBOV-VUUXHMSQSA-N 454.438 3.397 5 40 JGBB CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC)cc1S(=O)(=O)N1CCCCC1 12563189 VXZMUIHLGMMPNF-UHFFFAOYSA-N 462.528 3.462 5 40 JGBB COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 13503985 CWMIUOZJOWRBLC-NRFANRHFSA-N 451.531 3.257 5 40 JGBB COC(=O)c1c(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc2c1CCCC2 14195235 QHPLKZTXUBFKEN-UHFFFAOYSA-N 458.540 3.082 5 40 JGBB Cc1cc(C)c(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@H]43)C2=O)c(C)c1 102780424 BSIRZOYRQMMDEZ-IJNVRARQSA-N 492.532 3.328 5 40 JGBB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223699413 VPZKMFBTOINACF-SFTDATJTSA-N 451.508 3.316 5 40 JGBB CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408665893 RSYHOMGMQDCUKG-AWEZNQCLSA-N 490.310 3.455 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408689022 XPQORONMZNZDBP-RBUKOAKNSA-N 464.434 3.402 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)cc1 408689873 ZGDCOIYPPZTIIA-YOMUGFJLSA-N 477.473 3.041 5 40 JGBB COc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1[N+](=O)[O-] 9716600 YTJLJDXKUXPBRY-UHFFFAOYSA-N 483.568 3.277 5 40 JGBB O=C(NCCSc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 9797984 NXIRQQOWKUKQRF-UHFFFAOYSA-N 484.987 3.056 5 40 JGBB O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 9846208 XROHUHXUJBYPNT-UHFFFAOYSA-N 465.875 3.120 5 40 JGBB Cn1c(=O)c2c(SCc3cccc([N+](=O)[O-])c3)nc(-c3ccc(F)cc3)nc2n(C)c1=O 11758218 RVSYHQVABFMZSR-UHFFFAOYSA-N 453.455 3.034 5 40 JGBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 16000464 UQMNCONZWQQSDX-UAKAABGRSA-N 480.908 3.296 5 40 JGBB COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccc(C)cc3)c2=N)cc1 101084941 IOEWYCKAWYOYJR-UHFFFAOYSA-N 479.540 3.424 5 40 JGBB O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 408669535 HLPDDVNDJITISR-ULBZPVTCSA-N 453.454 3.426 5 40 JGBB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 409173492 IWGONERHWREXRL-UHFFFAOYSA-N 484.538 3.184 5 40 JGBB CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 409347240 NFTYFVCDNVVXPZ-UHFFFAOYSA-N 484.538 3.184 5 40 JGBB COCCN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 3437602 KKUKLNKVSWFUFY-UHFFFAOYSA-N 490.563 3.262 5 40 JGBB CO[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1 4963908 MPAYVFMSSYJEOW-VEFTVXKRSA-N 460.395 3.035 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCc1ccc(N2CCOCC2)nc1 9338520 LCMXMWHDJKCBHA-UHFFFAOYSA-N 475.571 3.003 5 40 JGBB COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2ccncc2)[C@@H](c2cccc([N+](=O)[O-])c2)CN1C 17112395 ONSLGYPPXYOJSG-WPWBMXPQSA-N 458.474 3.374 5 40 JGBB CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCNCC4)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])CC1 20154296 ADOBYKMTCLELHA-UHFFFAOYSA-N 468.514 3.401 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 100820860 KGMHSTWWOMKEPU-QYQHSDTDSA-N 489.488 3.131 5 40 JGBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(C(F)(F)F)c1 408665928 RUWQVHGFZOPJIS-LBPRGKRZSA-N 451.357 3.148 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408685990 QUBXRTXBGZXEBN-LSBZLQRGSA-N 466.450 3.482 5 40 JGBB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)c1 1865669 BPMFKRNDVLGFIM-UHFFFAOYSA-N 454.512 3.001 5 40 JGBB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 2633032 NXBSWUDUTAXTLN-SFHVURJKSA-N 456.480 3.141 5 40 JGBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1cc(I)ccc1Cl 8892878 RZCCKBQUGAVWEM-UHFFFAOYSA-N 476.683 3.484 5 40 JGBB CCOC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(nc(SCC)[nH]c2=O)N[C@]1(O)c1ccccc1 44973743 VSTFDSMQQMKSKR-KDLAUNOPSA-N 496.545 3.372 5 40 JGBB O=C(N[C@@H](N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 104175886 AWLFUXYCWBIUCE-PJFSTRORSA-N 485.755 3.302 5 40 JGBB CCn1c(=O)sc2cc(NC(=O)CCCN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)ccc21 225118749 NYDDEMLCYUQQLB-UHFFFAOYSA-N 478.552 3.176 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408678177 CSCBGGXOARTYAL-LSBZLQRGSA-N 494.460 3.164 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(C)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408682115 IXDOOGPOWVMJLS-RTWAWAEBSA-N 461.474 3.485 5 40 JGBB CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 6600511 GRLGIPMRURHOJN-UHFFFAOYSA-N 461.452 3.129 5 40 JGBB COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408672971 PVUSVYZNRLUJRS-GKIWIXTESA-N 478.457 3.345 5 40 JGBB CN1CCN(S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 1661133038 HTLPQONBWYJXOT-MRXNPFEDSA-N 458.309 3.174 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 2620928 UKIRMQXXULGAQM-UHFFFAOYSA-N 474.429 3.098 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N/C(=O)c1ccc(Cl)cc1 9222942 BSNSKLXPLZAVPQ-XAYXJRQQSA-N 494.935 3.175 5 40 JGBB O=C(NC(=S)Nc1ccc(I)cc1C(=O)O)c1ccc([N+](=O)[O-])cc1 16400907 YOZVVCGSVIKSDK-UHFFFAOYSA-N 471.232 3.024 5 40 JGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1 408680278 GAGNDERQMYKAMK-VUEDXXQZSA-N 479.876 3.295 5 40 JGBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)C2=O)cc1 409107635 SGBLFCFUJUJZLL-LZYBPNLTSA-N 488.434 3.282 5 40 JGBB CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)cc1 409158202 SFWLNERRLRYWTO-OAHLLOKOSA-N 498.565 3.100 5 40 JGBB O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 3297575 GQAMJKTYFQLVNP-UHFFFAOYSA-N 457.178 3.393 5 40 JGBB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CCCNc2ccccc2[N+](=O)[O-])c(=O)[nH]c1=O 8724840 VIPWECSUOHALAW-UHFFFAOYSA-N 494.552 3.253 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=CC=NN12 9109872 WORYSKVAVHYIQX-YRXWBPOGSA-N 484.390 3.211 5 40 JGBB O=C(NCCc1nnc2ccc(SCc3cccc([N+](=O)[O-])c3)nn12)c1ccc(F)cc1 9578741 MAKLRGQIYWKMJD-UHFFFAOYSA-N 452.471 3.436 5 40 JGBB Cc1c(NS(=O)(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 9662906 UKCTVZCZXKZGJA-MRXNPFEDSA-N 485.566 3.430 5 40 JGBB CCN(CC)CCCn1c2c(c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc1=O)CCC2 9746261 UDLPOFSRKQUJGZ-UHFFFAOYSA-N 459.572 3.103 5 40 JGBB COc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2=O)c(OC)c1 23080713 LTNAKUPCMCBWTO-STQMWFEESA-N 491.884 3.189 5 40 JGBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1nc2c(s1)CN(C)CC2 40160331 APZFTRAPIZNPRZ-MRXNPFEDSA-N 451.936 3.086 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1ccccc1OC 101176933 DXKUQWIDSXPJGS-OLFWJLLRSA-N 498.495 3.217 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1ccc(CN2CCCC2)cc1)S(C)(=O)=O 224513122 ZELYVZCUHCBGOE-UHFFFAOYSA-N 488.610 3.362 5 40 JGBB Cn1c(CCN2CCN(c3ccccn3)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 9013712 NXTGPKFWJUUCSG-UHFFFAOYSA-N 485.548 3.494 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O)c1ccc(Cl)cc1Cl 408646964 JDQBCAWGIVOAGX-UHFFFAOYSA-N 450.234 3.291 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)cc1 408656487 SQYOTOCAPQNMAW-RVHYNSKXSA-N 479.489 3.265 5 40 JGBB COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@@H]3O[C@@H](C)[C@@H](O)[C@](C)(O)[C@@H]3O)ccc(O)c12 5497003 BJPYMDSMDBCKEP-QWKMLABRSA-N 496.512 3.063 5 40 JGBB in-vitro COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 8742126 NMSRJMKRCWRLNZ-JOCHJYFZSA-N 477.477 3.265 5 40 JGBB COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 17821539 PRDJUGWKWSACQP-CWBXHPNXSA-N 475.501 3.090 5 40 JGBB Cc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)C2=O)cc1 21554716 JHYNSZGKUDKUCG-IBGZPJMESA-N 462.428 3.376 5 40 JGBB O=c1c2cc3c(=O)n(-c4nc(C5CCCCC5)n[nH]4)ccc3nc2ccn1Cc1ccccn1 40399030 IQZUDRJBGZNHJP-UHFFFAOYSA-N 453.506 3.310 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2C=CC=NN12 253488071 WORYSKVAVHYIQX-HCXYKTFWSA-N 484.390 3.211 5 40 JGBB COC(=O)c1cccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)c1 409372499 MEEWHHZIXXRVSS-LMGFAJPXSA-N 454.438 3.258 5 40 JGBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 13108948 CJNHPKNPLPVSBO-QFIPXVFZSA-N 497.573 3.008 5 40 JGBB Cc1c(OCC(=O)NC(=S)Nc2ccc(N3CCOCC3)c(Cl)c2)cccc1[N+](=O)[O-] 16250119 SSAXYUSAXPHRSI-UHFFFAOYSA-N 464.931 3.285 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccc(C)c([N+](=O)[O-])c1 100820836 KXPZRSLSNIQWPT-QYQHSDTDSA-N 489.488 3.365 5 40 JGBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(=N)n(CCCOC(C)C)c3nc12 101062741 NMSAWGPGIDZTHF-UHFFFAOYSA-N 459.550 3.182 5 40 JGBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccc2c(c1)OCCO2 103602208 QYAVYCDACQDGJW-FYYLOGMGSA-N 470.441 3.149 5 40 JGBB O=C(NCCc1ccccc1)C(=Cc1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NCCc1ccccc1 3314508 WBACUYZWZAUSRB-UHFFFAOYSA-N 487.512 3.425 5 40 JGBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1cccc(I)c1 20611696 IFKALMOUHXOFLV-UHFFFAOYSA-N 453.236 3.288 5 40 JGBB C[C@H](OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 21458586 VYOWPEHYUMXRIX-JTQLQIEISA-N 471.800 3.150 5 40 JGBB COc1ccc(C(=O)NC(=S)Nc2ncc(I)cc2C)cc1[N+](=O)[O-] 32125259 RCDLHZYBAGHAKA-UHFFFAOYSA-N 472.264 3.038 5 40 JGBB COc1ccc(CC(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1 35104848 JHDXLMXHCSDVHP-HNNXBMFYSA-N 498.565 3.191 5 40 JGBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408660678 WSBWPBATTQQVJC-QHGDMDKLSA-N 473.485 3.421 5 40 JGBB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCC(Cc2ccccc2)CC1 9358470 HTUGJFDWWQYXQB-OAQYLSRUSA-N 471.579 3.477 5 40 JGBB COc1ccc(NC(=O)CN2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c([N+](=O)[O-])c1 12644387 LOCLXFKRWJBGJM-UHFFFAOYSA-N 470.570 3.339 5 40 JGBB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)cc1[N+](=O)[O-] 15687410 QNOLJJAZGVVPJT-UHFFFAOYSA-N 498.561 3.110 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)S(C)(=O)=O 222730375 GLJWWCVZGBXCAA-INIZCTEOSA-N 477.539 3.098 5 40 JGBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OC 408565104 HRJXYVUXFNCINM-JBZDTAIVSA-N 476.327 3.378 5 40 JGBB COCCNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 409004106 WOQXCHGOPHCABY-QHCPKHFHSA-N 461.518 3.217 5 40 JGBB CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)c1 409369578 PRMVLLNRNVOSRC-QQNJPBSNSA-N 454.438 3.397 5 40 JGBB O=C1OC(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)=N/C1=C\c1ccc(I)cc1 3663914 XXCIKIVOWNCWHF-RZNTYIFUSA-N 465.159 3.452 5 40 JGBB O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 10256406 ZAJMIMGRYIEBGT-KMKOMSMNSA-N 490.911 3.134 5 40 JGBB COc1ccc(N(CC(=O)N2CCC[C@@H](C)C2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 10541425 BEMJEEIVKJDCAX-MRXNPFEDSA-N 461.540 3.366 5 40 JGBB CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 12561779 PAEMVULLJWRYJP-UHFFFAOYSA-N 468.539 3.263 5 40 JGBB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 12791497 UYTUUKJSLCGGJW-MRXNPFEDSA-N 475.523 3.262 5 40 JGBB O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 14254592 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487.512 3.232 5 40 JGBB O=C(CSC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1cc([N+](=O)[O-])ccc1Cl 113481905 PBHDENQBQJEJNP-STQMWFEESA-N 478.983 3.486 5 40 JGBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(F)cc2)CC1 408924227 DUZJJVHRMPJOQS-UHFFFAOYSA-N 498.536 3.278 5 40 JGBB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 409165639 AOKFQCUZCMYASK-UHFFFAOYSA-N 468.539 3.104 5 40 JGBB CC(=O)Oc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 409371352 ICEOXVMOMYYACN-ZQFKLAOWSA-N 499.435 3.305 5 40 JGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9780862 HWOXELBYRJZGTO-DHZHZOJOSA-N 451.504 3.294 5 40 JGBB CC(C)[C@H](NC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)c1cccs1 9861987 YKNNQAXTSHTMMF-IBGZPJMESA-N 466.585 3.289 5 40 JGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 32842229 NMOKBBAUPJOYMW-UHFFFAOYSA-N 457.911 3.447 5 40 JGBB CCn1c(=N)c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3cccc(C)c3nc21 101162415 MHJOQUKPKMXDOL-UHFFFAOYSA-N 473.352 3.052 5 40 JGBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccco4)cc3)CC2=O)cc1[N+](=O)[O-] 408666046 ZWPNWJGNROAAGK-QGZVFWFLSA-N 492.440 3.494 5 40 JGBB Cc1nc2c3ccccc3n3c(CCCC(=O)N4CCN(c5ccc(F)cc5)CC4)nnc3n2n1 9860205 FQJROBCRUOQTFM-UHFFFAOYSA-N 472.528 3.044 5 40 JGBB COc1ccc(Cl)cc1N1C[C@H](C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 25054081 UBUBCGQTNAWONS-CHWSQXEVSA-N 461.858 3.180 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C1=O 103920138 LBLFAHLMBWKSMM-IFMALSPDSA-N 487.428 3.294 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)cc1[N+](=O)[O-] 408663733 ONUSGSHGIZIBBI-KDIGXEEGSA-N 475.457 3.010 5 40 JGBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1I 8902349 YVGVMHKIUVXICB-UHFFFAOYSA-N 453.236 3.288 5 40 JGBB COc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1[N+](=O)[O-] 35303043 HRBGDNMCKSCLAG-UHFFFAOYSA-N 479.902 3.002 5 40 JGBB COCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C(C)=C[C@H]21 103459528 PRDJUGWKWSACQP-KAOXLYBCSA-N 475.501 3.090 5 40 JGBB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])cc1 408667965 SNLOYJSNTPCJQJ-UHFFFAOYSA-N 487.465 3.071 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408684842 OFNUETFYLXMJOZ-PKOBYXMFSA-N 492.444 3.084 5 40 JGBB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 409056693 HZACVQCTDCBSJC-UHFFFAOYSA-N 454.512 3.175 5 40 JGBB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=NN23)cc1 9076221 SPXLHZZSXXYQPW-NAVOZUGXSA-N 496.479 3.365 5 40 JGBB COc1ccc(CCn2cc3c(c2-c2ccc(C)c([N+](=O)[O-])c2)c(=O)n(C)c(=O)n3C)cc1OC 9137542 CYXCCKNDGSWQCO-UHFFFAOYSA-N 478.505 3.182 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 9439426 WZGXHSZZUISZGY-UHFFFAOYSA-N 492.604 3.138 5 40 JGBB COC[C@H](C)NS(=O)(=O)c1ccc(Nc2cccc(I)c2)c([N+](=O)[O-])c1 9633002 FRPHFPUASNINMQ-NSHDSACASA-N 491.307 3.256 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(C)cc(Cl)cc43)[C@@H]2C1=O 16009777 HMBXWFXTMTZORJ-YDLHNXBPSA-N 480.908 3.296 5 40 JGBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(C(=O)O)c1O 20153067 ZWOYXEMJRKCQGI-UHFFFAOYSA-N 458.496 3.424 5 40 JGBB NC(=O)c1ccc(SCC(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 39969495 HWEFLSZVBUNPMH-UHFFFAOYSA-N 482.484 3.149 5 40 JGBB O=C(Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408649242 ZRHVCGWIJSEWOY-AWEZNQCLSA-N 489.415 3.493 5 40 JGBB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)ccc1Br 408663743 BLLKSYKDHGCDLZ-ZDUSSCGKSA-N 476.283 3.201 5 40 JGBB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@H]5CC=CC[C@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] 408673523 XFSGSTQKLYKWCC-HBGVWJBISA-N 489.484 3.317 5 40 JGBB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 16681618 URIJSJGAEBLHRM-UHFFFAOYSA-N 456.499 3.174 5 40 JGBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C1=O 409236053 FFACICMCDPPYBA-OVCLIPMQSA-N 489.282 3.157 5 40 JGBB Cc1cc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(C)n1C[C@@H]1COc2ccccc2O1 8883498 WLQAOBQETBMGDX-GOSISDBHSA-N 474.473 3.446 5 40 JGBB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)c([N+](=O)[O-])c1 8888785 WDSWWZZXNDZQSM-LJQANCHMSA-N 461.272 3.071 5 40 JGBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 8983420 HXWMJBQWXCYJSG-UHFFFAOYSA-N 463.878 3.193 5 40 JGBB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4cc([N+](=O)[O-])ccc4C)CC3)CC2=O)cc1 9426603 FZQYVZPIVDUTDT-IBGZPJMESA-N 464.522 3.442 5 40 JGBB COc1ccc(-c2nn3c(CCC(=O)O)nc4ccc(Br)cc4c3nc2=O)cc1 71924139 AREGICFOWIWNSN-UHFFFAOYSA-N 455.268 3.093 5 40 JGBB O=C(/C=C\c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 102146988 DOFKZIWJZKIRRD-NLDZFRDMSA-N 474.429 3.466 5 40 JGBB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 138575276 GLUFQSAGCOIFMN-UHFFFAOYSA-N 471.466 3.452 5 40 JGBB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 409338346 IFNIBPSHXGJNKB-UHFFFAOYSA-N 454.512 3.175 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3CCC[C@@H]3[C@@H]2C1=O 9453646 PVYHLQMIDHACIG-NMLACTOBSA-N 469.881 3.092 5 40 JGBB COc1ccc(NC(=O)COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 9508543 MPWKUZRHUUGTPJ-UHFFFAOYSA-N 475.885 3.291 5 40 JGBB O=C(CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)OCc1ccccc1 13370235 CQVKHEJDMTUBJB-HKWRFOASSA-N 463.446 3.208 5 40 JGBB CCOc1cc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(C)c1 32689393 PDEICTOFVICRGB-CLFYSBASSA-N 466.450 3.279 5 40 JGBB CCOCCCn1c(=N)c(C(=O)NCc2ccc(C)cc2)cc2c(=O)n3cccc(C)c3nc21 101100126 WRBNGUHCFVKSKQ-UHFFFAOYSA-N 459.550 3.102 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408688941 XGYQHTDREPLLSV-IEBWSBKVSA-N 492.444 3.084 5 40 JGBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2425225 CKMJYQZYUQXVBS-UHFFFAOYSA-N 457.490 3.498 5 40 JGBB CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)n2c(s/c(=C\c3ccccc3[N+](=O)[O-])c2=O)=N1 2708726 GKEAXXZFEIECCG-DPWKNNTCSA-N 469.544 3.157 5 40 JGBB Cc1nn(CCCn2c(SCn3ccc([N+](=O)[O-])n3)nc3ccccc3c2=O)cc1Cl 2733866 IJVHSWNMMANOCC-UHFFFAOYSA-N 459.919 3.500 5 40 JGBB O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 9424258 XLHBWNLYYZPSFT-NMIHRBCNSA-N 455.426 3.461 5 40 JGBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCN(Cc2cccc3cccnc23)CC1 12920759 SGVSCXKEOFXFFO-UHFFFAOYSA-N 475.505 3.176 5 40 JGBB NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc3c(c2)nc(S)n2c4ccccc4nc32)CC1 20643558 ZBJBVXYMSIVUJK-UHFFFAOYSA-N 488.617 3.270 5 40 JGBB COc1ccc(CC(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1 35104847 JHDXLMXHCSDVHP-OAHLLOKOSA-N 498.565 3.191 5 40 JGBB O=C(Nc1ccccn1)[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 40149357 RUDDWZPRRHQYNB-GFCCVEGCSA-N 458.418 3.138 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(F)cc1 408647523 JJYSTENWAOEWGQ-RTBURBONSA-N 453.426 3.149 5 40 JGBB Cc1ccc(CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])cc(I)c3O)C2=O)cc1 409243232 QUOPHFSVMDHGGK-VIZOYTHASA-N 479.230 3.306 5 40 JGBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccco3)c2=N)cc1C 2890386 CBPDUQRVRQXSMB-UHFFFAOYSA-N 460.515 3.220 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccc(C)cc2C)c([N+](=O)[O-])c1 9496029 PSTNXJGNLFTZQJ-UHFFFAOYSA-N 463.556 3.280 5 40 JGBB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl 15546000 FBDXLCBTDNLLKF-FQEVSTJZSA-N 458.902 3.467 5 40 JGBB Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(Cl)cc4)c(=N)n(Cc4ccncc4)c3nc12 100628569 LCKNWKSUTHXKRY-UHFFFAOYSA-N 491.960 3.367 5 40 JGBB CC[C@H](C(=O)NCc1ccc(CN2CCCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224531249 UMBOAFHVUAAMHE-HSZRJFAPSA-N 488.610 3.442 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(F)cc1 408644622 HCNAZLUIRDKZMQ-PWCQDKJGSA-N 489.459 3.027 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408873287 SGHTVYFUVQBMIY-SQWSFHKJSA-N 498.948 3.381 5 40 JGBB Cn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409360594 QKXKANRUKRYRTL-UHFFFAOYSA-N 460.903 3.038 5 40 JGBB O=C(COc1ccc(Br)cc1)NC(=S)NCCCNc1ccc([N+](=O)[O-])cc1 16428626 GWZMTIJAXOOFCG-UHFFFAOYSA-N 467.345 3.229 5 40 JGBB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C(=O)O[C@@H]1C2 61996969 JVEWLFXQCRLVCY-IRXCLELFSA-N 455.555 3.244 5 40 JGBB biogenic Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)o1 106694540 MLDYFGIOVQDPEJ-WQRHYEAKSA-N 457.464 3.058 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 222408146 UNINJUMDLVLZPJ-GSDWQJCQSA-N 487.512 3.206 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 408688467 WIJGNZCIAPZCFU-RTBURBONSA-N 452.423 3.236 5 40 JGBB CCC12CN(C(=O)c3ccc([N+](=O)[O-])cc3)CC(CC)(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C1)C2=O 8922823 ZDQNHJKNSYGHPA-UHFFFAOYSA-N 494.504 3.477 5 40 JGBB Cc1ccc([C@@H](NC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C2CC2)cc1 9936840 XPTGUJMISHDSJJ-OAQYLSRUSA-N 458.540 3.070 5 40 JGBB Cn1c(N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)nc2sc3c(c2c1=O)CCCC3 13736591 NECNWCAWFLVGGW-UHFFFAOYSA-N 487.969 3.398 5 40 JGBB CCCCn1/c(=N/C(=O)c2ccncc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 102920172 AKOOTQJKZLFQNE-XAYXJRQQSA-N 459.506 3.071 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1ccccc1CN1CCCCC1)S(C)(=O)=O 224844075 VBHWQLZUPVPSMX-IBGZPJMESA-N 488.610 3.360 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1ccc(CN2CCCCC2)cc1)S(C)(=O)=O 260886054 CSPNZHCWEHBNMU-LJQANCHMSA-N 488.610 3.360 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)cc2)c1 408654847 BUPJXLADJKEXKD-KEQGGVEFSA-N 493.472 3.101 5 40 JGBB CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCc1ccccc1[N+](=O)[O-] 9328778 GEIKWUKSLVGUGN-UHFFFAOYSA-N 457.512 3.446 5 40 JGBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(Nc3cccc(Cn4cncn4)c3)c([N+](=O)[O-])c2)C1 40149345 QWHVHEQBUAACNR-MRXNPFEDSA-N 456.528 3.399 5 40 JGBB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223463048 PJZSFXOISSULRV-QGZVFWFLSA-N 473.526 3.324 5 40 JGBB CC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260772647 ZQXFVODGTWYNCH-BEFAXECRSA-N 479.555 3.342 5 40 JGBB COc1ccc(NC(SCc2ccc([N+](=O)[O-])cc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 409376296 WUPFJRJUIVFYIC-UHFFFAOYSA-N 456.480 3.211 5 40 JGBB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)c([N+](=O)[O-])c1 8888787 WDSWWZZXNDZQSM-IBGZPJMESA-N 461.272 3.071 5 40 JGBB CCn1c(COc2ccc(C)nc2[N+](=O)[O-])nc2cc(S(=O)(=O)N3CCCCC3)ccc21 9669753 FXLIWPAXGUTUFG-UHFFFAOYSA-N 459.528 3.421 5 40 JGBB COc1cc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1Cl 9698580 ZLYWFAQUDWSJEN-UHFFFAOYSA-N 483.930 3.305 5 40 JGBB COc1cccc([C@H]2[C@@H](Oc3cccc([N+](=O)[O-])c3)C(=O)N2CC(C)(C)N2CCOCC2)c1 48232112 HFIDGUTXYWGZKK-FCHUYYIVSA-N 455.511 3.045 5 40 JGBB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Cl 224935930 JUKFBCQPDOUMBP-UHFFFAOYSA-N 457.911 3.292 5 40 JGBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408653895 QCBJRCYXKHNJKP-KDURUIRLSA-N 467.865 3.440 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccccc4Cl)c3[nH]2)C1 1334742 RHJBHSCJJXGZTB-HNNXBMFYSA-N 493.911 3.144 5 40 JGBB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8707088 KOMSMOCQIITCFV-INIZCTEOSA-N 455.389 3.022 5 40 JGBB O=C1C(=O)N(OCc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]2N1OCc1ccccc1[N+](=O)[O-] 18053846 VNXYPOIEXLPCGF-BGYRXZFFSA-N 470.438 3.048 5 40 JGBB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22716071 CCFDJULCMOJTPK-UHFFFAOYSA-N 479.522 3.467 5 40 JGBB COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccccc3)c2=N)cc1 101120370 DQXHGJFUWJWCRP-UHFFFAOYSA-N 465.513 3.116 5 40 JGBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)NCCNc1cc(N2CCCC2)ccc1[N+](=O)[O-] 8398969 OKUOSIDWLYISAT-UHFFFAOYSA-N 472.502 3.020 5 40 JGBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NCCc1ccc2c(c1)OCCO2 12267671 AWIMJRYUFQOTGD-UHFFFAOYSA-N 452.419 3.142 5 40 JGBB O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCN(Cc2ccsc2)CC1 25055290 YHPMGPZIOPIQFX-UHFFFAOYSA-N 486.575 3.415 5 40 JGBB COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(C(=O)c2cccc3ccccc23)CC1 48343769 BCEZFUXPJIJJTC-UHFFFAOYSA-N 464.434 3.405 5 40 JGBB COc1ccc(N(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 100219247 YIXYHEGQMKAEQE-LZJOCLMNSA-N 473.551 3.412 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@@H]2C1=O 100835836 LBLFAHLMBWKSMM-IRLDBZIGSA-N 487.428 3.294 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cccc([N+](=O)[O-])c1 103001050 KNTCFJPBXUJQQZ-YYADALCUSA-N 475.461 3.056 5 40 JGBB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 9042746 NDHZJEXZWCZQBW-UHFFFAOYSA-N 485.928 3.272 5 40 JGBB O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 12170534 WLZRJTMGYVJMOY-NRFANRHFSA-N 489.528 3.496 5 40 JGBB C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12765778 UJEHVNGDHCFJRM-MRXNPFEDSA-N 493.486 3.221 5 40 JGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 20060869 FSSHHZMYPYAQHB-UHFFFAOYSA-N 498.536 3.278 5 40 JGBB CCCCOCCCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O 32914287 SSDGIQXHEWMDPK-UHFFFAOYSA-N 451.501 3.038 5 40 JGBB CCCn1/c(=N\C(=O)c2ccc(F)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101127267 DVNQCTHIBUVHNZ-SLMZUGIISA-N 462.481 3.425 5 40 JGBB COc1ccc(OC)c([C@@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 223238610 MHIHYTVGDAGCNR-MRXNPFEDSA-N 479.555 3.344 5 40 JGBB CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12632467 HKKXXLYPQJSXTO-UHFFFAOYSA-N 480.352 3.121 5 40 JGBB COc1ccc(OC)c2c1CN(c1ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc1[N+](=O)[O-])C[C@H]2O 21674348 NDHVMOBDVGSPJZ-FOIQADDNSA-N 491.566 3.086 5 40 JGBB O=C1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1 40399301 ZYXSFTKNEQZBSX-CQSZACIVSA-N 454.830 3.140 5 40 JGBB CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccc(OC)c(OC)c2)c1=N 101094393 WKZHKQAEDVAOHL-UHFFFAOYSA-N 489.576 3.227 5 40 JGBB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=C[C@@H](C)[C@H]2C1=O 408655322 ROCXPRMRTWOGEL-QMKUDKLTSA-N 461.474 3.421 5 40 JGBB CCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408666712 OVEJTMMKCWRXKR-UHFFFAOYSA-N 457.439 3.062 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 101074638 UNINJUMDLVLZPJ-XIYISJGRSA-N 487.512 3.206 5 40 JGBB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl 224175138 HMGSIFLFSXQQGY-OAHLLOKOSA-N 469.947 3.215 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409161300 MTRJLULODLFZNL-PZDOZLBDSA-N 477.542 3.323 5 40 JGBB O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)Nc1ccc(F)cc1[N+](=O)[O-] 9662104 WJTHCWMFIRPFNC-KRWDZBQOSA-N 471.466 3.318 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H](C(=O)N1CCc2ccccc2C1)n1cc(Cl)ccc1=O 9762805 HXMPIEFCOOKMJF-NRFANRHFSA-N 451.866 3.419 5 40 JGBB O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NC[C@@H]1CCCO1 9860248 ZOLYERVRGYJTAB-SFHVURJKSA-N 455.522 3.210 5 40 JGBB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 14271220 NQIRRYYJTNZJEA-UHFFFAOYSA-N 471.539 3.153 5 40 JGBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)c1 61927124 RRYHBHDEMHUOLU-UHFFFAOYSA-N 465.514 3.050 5 40 JGBB COc1cc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 224510935 HJDYPWPGCYORDC-SFHVURJKSA-N 457.527 3.214 5 40 JGBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccccc1 409133937 RCSRDHYQYUWHKJ-AWEZNQCLSA-N 454.512 3.428 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1[N+](=O)[O-] 9055806 ABEDGRVSFBIEPR-UHFFFAOYSA-N 459.414 3.499 5 40 JGBB CSc1nc2nc(C)c(CCC(=O)N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)c(C)n2n1 12554359 KTLPHDACWBCBKP-UHFFFAOYSA-N 489.989 3.306 5 40 JGBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1nc2c(s1)CN(C)CC2 23606954 APZFTRAPIZNPRZ-INIZCTEOSA-N 451.936 3.086 5 40 JGBB Cc1coc2cc3oc(=O)c(CC(=O)N4C[C@@H]5C[C@H](C4)Cn4c5ccc([N+](=O)[O-])c4=O)c(C)c3cc12 524730049 STHMVOKYEWQQCY-CVEARBPZSA-N 489.484 3.414 5 40 JGBB biogenic CCOC(=O)c1c(N)n(CCCOC(=O)c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3nc12 3311061 AFLHWUXHZXRDFF-UHFFFAOYSA-N 463.450 3.499 5 40 JGBB Cc1ccc(S(=O)(=O)CCCC(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 10218629 OYPJHSRLXAQXND-UHFFFAOYSA-N 488.591 3.416 5 40 JGBB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C)cc1 13632970 QOOZLVGQSVXWEN-CYBMUJFWSA-N 452.920 3.106 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 15101208 UETISWIEIZQSBF-MRXNPFEDSA-N 480.974 3.280 5 40 JGBB COc1ccc(Cl)cc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 25054062 UBUBCGQTNAWONS-STQMWFEESA-N 461.858 3.180 5 40 JGBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 409246279 AFBCTUCPWSAPNW-PDGQHHTCSA-N 462.418 3.395 5 40 JGBB Cc1c(NC(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)cccc1[N+](=O)[O-] 8634810 IKGSZIVGLBUFEU-IBGZPJMESA-N 461.272 3.071 5 40 JGBB O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 59402686 UEEXVIGYZCBNES-XCVCLJGOSA-N 488.503 3.047 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408656431 SHLTWHPCVZDXJY-UXHICEINSA-N 465.437 3.315 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408657483 UIDGRMKMIMAGMS-VOBQZIQPSA-N 494.460 3.164 5 40 JGBB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 409184960 ZLKIQLWJTGQUBI-UHFFFAOYSA-N 483.454 3.393 5 40 JGBB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1CCCO1 9141429 WIXBGRUMGUWUDK-OAHLLOKOSA-N 488.349 3.392 5 40 JGBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@@H](c2cccc([N+](=O)[O-])c2)CN1C 13606862 PELVCMHDFSMXKJ-RZTXVSJASA-N 458.474 3.374 5 40 JGBB COc1cc(-c2nnc(Sc3c([N+](=O)[O-])cc(C(=O)O)cc3[N+](=O)[O-])o2)cc(OC)c1OC 16195295 PBJUAYAGZATGDQ-UHFFFAOYSA-N 478.395 3.428 5 40 JGBB CS(=O)(=O)N(CCCC(=O)NCCOc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 223566887 JUTJROYWBLWAAK-UHFFFAOYSA-N 471.535 3.489 5 40 JGBB Cc1ccc(OCCNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl 224175192 HMGSIFLFSXQQGY-HNNXBMFYSA-N 469.947 3.215 5 40 JGBB COc1cc(OC)cc(-c2nc(S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C(=O)O)n[nH]2)c1 408633644 OIOFICRIECSFGY-FMQZQXMHSA-N 472.435 3.344 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(F)cc1 408643128 FOTBPRLDEXUMIA-LVNJIZSUSA-N 465.437 3.005 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408687175 SZQCQWKDHPAQFJ-LJHODMEESA-N 467.453 3.395 5 40 JGBB COc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])c1 14329220 YEOMQWIMHDMNIZ-OAHLLOKOSA-N 469.494 3.297 5 40 JGBB O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 14690762 OSSNAGAXCNNFAZ-UHFFFAOYSA-N 469.519 3.321 5 40 JGBB Cc1ccc(-c2noc(CN3CCN(CCC(=O)Nc4ccc([N+](=O)[O-])cc4C)CC3)n2)cc1 32903215 RNKIZCJZCBNPCH-UHFFFAOYSA-N 464.526 3.408 5 40 JGBB O=C(COC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cccc([N+](=O)[O-])c1 408647529 UKEKRRROWQCMBP-UHFFFAOYSA-N 461.279 3.247 5 40 JGBB CCOC(=O)C1=C(C)N2C(=N[C@@H]1c1cccc([N+](=O)[O-])c1)NC(=S)N[C@H]2c1cccc([N+](=O)[O-])c1 2033970407 RNBAXTSAHSGYTK-RTBURBONSA-N 496.505 3.229 5 40 JGBB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c2cccnc12 8856180 HQCJTJDUOVXFPA-UHFFFAOYSA-N 470.507 3.191 5 40 JGBB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 57584489 NHUQXRZYXPQFJZ-UHFFFAOYSA-N 466.416 3.457 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)[C@H](CC)c1ccccc1 101176707 ORPBXPIVLSLSRB-RHBUKLTISA-N 488.544 3.093 5 40 JGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)COC(=O)c1cc([N+](=O)[O-])ccc1Cl 3292367 CBAQGYWTTRHPCL-UHFFFAOYSA-N 457.178 3.393 5 40 JGBB O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 8943287 BNRCSRKYKHVLDW-BQYQJAHWSA-N 459.480 3.150 5 40 JGBB Cc1cc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c([N+](=O)[O-])cc1C 9403497 BWMRZHWPYACZNB-UHFFFAOYSA-N 489.550 3.490 5 40 JGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 12137673 WXPHSUPHVMAHPT-UHFFFAOYSA-N 455.492 3.133 5 40 JGBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13770291 HTIGCRRTALNJER-NJDAHSKKSA-N 476.401 3.260 5 40 JGBB CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC(=O)N(C)Cc1ccc(Cl)s1 23223099 VGGDKNYAOGQDNT-INIZCTEOSA-N 499.998 3.363 5 40 JGBB Cc1cccc(N2CCN(CCCNC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)c1 24813265 OYYZWZJHJPZEFH-UHFFFAOYSA-N 465.598 3.448 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccc(Cl)cc1)S(C)(=O)=O 224853860 YOBGYZUOHBQDLS-UHFFFAOYSA-N 469.947 3.298 5 40 JGBB COc1ccc(NC(=S)NC(=O)c2ccccc2I)cc1[N+](=O)[O-] 8831272 UXGSKEWHFPDMDJ-UHFFFAOYSA-N 457.249 3.335 5 40 JGBB C[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O 12537896 NNRBRTSVSONAMB-LJQANCHMSA-N 462.256 3.191 5 40 JGBB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 16594868 OMMDUHDCAKSKNM-UHFFFAOYSA-N 482.518 3.415 5 40 JGBB CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1[N+](=O)[O-] 22570344 HBCKJXYOJWGSNC-JTQLQIEISA-N 462.553 3.406 5 40 JGBB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408664095 NOXPXYIPPDIOHV-ORYQWCPZSA-N 489.484 3.317 5 40 JGBB Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)c(C)c1 9187509 LCICRFYDKGVTOL-ZZSKNEMNSA-N 478.505 3.019 5 40 JGBB COCCn1c(SCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2ccccc21 22062712 YTGAZMFWNZTVIV-UHFFFAOYSA-N 455.540 3.032 5 40 JGBB N=c1c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 100944325 BRXGTCUFTRFYEI-UHFFFAOYSA-N 460.490 3.149 5 40 JGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccccc1C(F)(F)F 408666975 IKLXEAGOZHFPFC-GFCCVEGCSA-N 451.357 3.148 5 40 JGBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1cccc(C(F)(F)F)c1 9636274 ZTWGJGSWGXEQTQ-UHFFFAOYSA-N 453.373 3.246 5 40 JGBB COc1ccc(NC(=O)CN2C(=O)N/C(=C\C(Cl)=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1 32597822 YNHYMMFWNBFFNZ-LQHTZKGQSA-N 456.842 3.258 5 40 JGBB O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 40149201 BFGVMXJHOMIEFV-ZDUSSCGKSA-N 459.304 3.410 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc([N+](=O)[O-])ccc3n2CC)cc1 100821180 DDJXIOLRJNZENT-MRCUWXFGSA-N 462.553 3.403 5 40 JGBB CCCCn1/c(=N\C(=O)Cc2ccc(OC)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103628227 BCQNUVMSYWRCFT-GNVQSUKOSA-N 488.544 3.305 5 40 JGBB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1Br 408651343 AVAJMJAPCXQWEP-ZDUSSCGKSA-N 476.283 3.201 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408678095 COCDVIHNFPAJAD-SJLPKXTDSA-N 464.434 3.402 5 40 JGBB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])c1 9224171 XVVCRGFFLUWOOY-OAHLLOKOSA-N 467.569 3.433 5 40 JGBB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 9669650 USBDTZMPSXLJJD-HNNXBMFYSA-N 476.555 3.342 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 11613893 XNORKSPLDFIQMY-UHFFFAOYSA-N 453.238 3.408 5 40 JGBB Cc1nn(Cc2ccc(C(=O)NCc3ccc(CN4CCOCC4)cc3)cc2)c(C)c1[N+](=O)[O-] 29716424 CANZRHKDQWPTCW-UHFFFAOYSA-N 463.538 3.219 5 40 JGBB O=C(OCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 48353532 ZMWFNEAVXMICOQ-UHFFFAOYSA-N 478.383 3.044 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2C=CC=NN12 104143125 IEMYXSMWOYTNJU-MKXGPGLRSA-N 485.283 3.499 5 40 JGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCc1ccc(F)cc1 223527941 HDAMDVKEIUDZOK-UHFFFAOYSA-N 457.483 3.288 5 40 JGBB O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1cccc([N+](=O)[O-])c1 3228386 LSNHLIBFFWZXRO-UHFFFAOYSA-N 452.872 3.072 5 40 JGBB COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CC[C@@H](C)C[C@H]43)C2=O)cc1 9123018 VIQRCMMTSGIJPY-WJDFUICOSA-N 464.478 3.034 5 40 JGBB CNc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSCc3cccs3)CC2)cc1[N+](=O)[O-] 9703923 PZOSVFHZZKVASA-UHFFFAOYSA-N 498.652 3.148 5 40 JGBB CSc1nnc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)s1 223234368 CYULLIWXPYESGP-UHFFFAOYSA-N 465.538 3.002 5 40 JGBB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223463102 PJZSFXOISSULRV-KRWDZBQOSA-N 473.526 3.324 5 40 JGBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 247295320 CKFQPTMUNIKVGX-LUKWVAJMSA-N 466.453 3.356 5 40 JGBB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(OC)c(OC)cc1[N+](=O)[O-] 409054786 BPAYXOSICABPDJ-PXNMLYILSA-N 491.909 3.413 5 40 JGBB O=C(CN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccccc1F 409212018 PDWGNFGJMFPCKZ-YBFXNURJSA-N 477.408 3.453 5 40 JGBB COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)c1 409372514 MEEWHHZIXXRVSS-OLJONYEBSA-N 454.438 3.258 5 40 JGBB COc1ccc(CN(C)C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(OC)c1OC 9130913 GPFGFIKEYASIFV-UHFFFAOYSA-N 487.509 3.036 5 40 JGBB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1cc([N+](=O)[O-])ccc1F 9540362 YHOAAONCRJHXHJ-UHFFFAOYSA-N 463.377 3.330 5 40 JGBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)Nc1ccccc1 106711369 RCWOZFMFKKZCAP-UYRXBGFRSA-N 468.491 3.106 5 40 JGBB Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc12 914779 MKHGNXBHSLHUEJ-SFHVURJKSA-N 471.535 3.423 5 40 JGBB O=C(NCCc1cn2ccccc2n1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 8725499 BATPQEQCSNIXHS-UHFFFAOYSA-N 465.491 3.016 5 40 JGBB C[C@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCC(=O)NCc4ccco4)n32)C1 9345767 VFMGMUJEFBYITF-NSHDSACASA-N 453.553 3.113 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc(Cl)cc1Cl 31937313 XPRPVJBZHPOFND-XHPQRKPJSA-N 471.300 3.411 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3[C@@H]2C1=O 103559360 LQOBGSNNHUIBBD-NCYKPQTJSA-N 460.490 3.397 5 40 JGBB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)n1 6017505 IVYOCQARIKFOLT-LFYBBSHMSA-N 453.480 3.454 5 40 JGBB O=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)C(=O)Nc1ccccc1[N+](=O)[O-] 9569074 JKQOABYXGRNCPV-UHFFFAOYSA-N 470.898 3.317 5 40 JGBB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 9669649 USBDTZMPSXLJJD-OAHLLOKOSA-N 476.555 3.342 5 40 JGBB CC1CCN(S(=O)(=O)c2ccc(NCCN3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)CC1 31576825 BLQGWVZNCWHECT-UHFFFAOYSA-N 487.626 3.250 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N\C(=O)c1ccccc1Cl 31937143 ZFLVJQNHCAULPE-SLMZUGIISA-N 494.935 3.175 5 40 JGBB COC(=O)c1ccc(CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)o1 108114281 ZKDXSUFXIJDXPD-WQRHYEAKSA-N 473.463 3.048 5 40 JGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 408700254 BVWJEOKSRYQCIY-UHFFFAOYSA-N 460.295 3.175 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 6488903 LSVKJFUKWXRCJA-UBXANZILSA-N 463.515 3.015 5 40 JGBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(I)c(C)n2)cc1[N+](=O)[O-] 8835400 GMZFMPYGXYHMKO-UHFFFAOYSA-N 486.291 3.428 5 40 JGBB COc1ccc([C@@H](CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)N2CCCC2)cc1 17911828 KILJMUJCHUPMIQ-OAQYLSRUSA-N 468.510 3.245 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)c1 408645213 HTJKRTCRFLFSKF-RVHYNSKXSA-N 479.489 3.265 5 40 JGBB COCCN1C(=O)S/C(=C\c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409215863 BTIYMWCNPSBHPE-ODLFYWEKSA-N 487.490 3.304 5 40 JGBB COc1ccc(C(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] 16227686 ADPXXEOFFQKIBU-UHFFFAOYSA-N 479.902 3.002 5 40 JGBB O=[N+]([O-])c1c(/C=C/c2cc(Br)cc(Br)c2O)nc2ncnn2c1O 16383183 CFSLUQXKMDDSLS-OWOJBTEDSA-N 457.038 3.139 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 19868046 XXUVMGIJXBXOAC-UHFFFAOYSA-N 467.931 3.437 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cc(Cl)ccc1Cl 31937315 WKFWERCXAVOQLP-XHPQRKPJSA-N 471.300 3.411 5 40 JGBB Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccccc4)c(=N)n(CCCOC(C)C)c3nc12 101042006 XCVXSTUZCKQHCJ-UHFFFAOYSA-N 466.563 3.085 5 40 JGBB Cc1cc(O)nc(Sc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2[N+](=O)[O-])n1 106945147 GYVTVXRRCMBMDL-LICLKQGHSA-N 463.500 3.320 5 40 JGBB CC[C@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224846244 YKTDNBKLVDCEHD-HSZRJFAPSA-N 488.610 3.442 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 225739388 JKRFMMGHOHUUQE-UHFFFAOYSA-N 453.889 3.461 5 40 JGBB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)cc2)n2c(s/c(=C\c3cccc([N+](=O)[O-])c3)c2=O)=N1 1898852 SHIJLEWAFXZHRE-VLOXRPPESA-N 477.542 3.403 5 40 JGBB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 9109701 RSMMQWYWDHQFQF-MYDTUXCISA-N 466.453 3.356 5 40 JGBB Cc1nn(C)cc1/C=C1/N=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N(CC(C)C)C1=O 22562762 LCMFWHDPCDYUHD-GIJQJNRQSA-N 456.528 3.204 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 138838098 PBVRAAWNCVBJCJ-KLDKWKSESA-N 461.474 3.174 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 9672573 UFQYXOOSVOJZNG-UHFFFAOYSA-N 496.973 3.368 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 13683111 NMQMJTAEMDFLGV-UHFFFAOYSA-N 461.540 3.217 5 40 JGBB COc1ccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 58927743 YZXPRCVTYMXWBU-LZLYRXPVSA-N 489.550 3.112 5 40 JGBB COC(=O)c1ccccc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C1=O 409370609 BIGDWHHBOROHFV-LMGFAJPXSA-N 454.438 3.258 5 40 JGBB O=c1c2c3nc4ccccc4nc3n(Cc3ccc4c(c3)OCO4)c2ncn1C[C@@H]1CCCO1 2360563 BGCVRALOXVTLAS-INIZCTEOSA-N 455.474 3.250 5 40 JGBB COc1ccc(C(=O)OCC(=O)Nc2ccc(I)cc2C)cc1[N+](=O)[O-] 3442560 TUOMFUXUYUIVNK-UHFFFAOYSA-N 470.219 3.312 5 40 JGBB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 9042883 GINIKFICZMWXND-UHFFFAOYSA-N 495.536 3.018 5 40 JGBB O=C(C[C@H]1SC(Nc2ccc3c(c2)OCCO3)=NC1=O)Nc1cc([N+](=O)[O-])ccc1Cl 9703443 YQYYWMSERCEZGN-MRXNPFEDSA-N 462.871 3.458 5 40 JGBB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c12 12819061 ZFWQKROGUUVHKJ-AWEZNQCLSA-N 473.486 3.276 5 40 JGBB COC(=O)c1c(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3ncnn23)sc2c1CCC2 36618909 HDYODSAAKDPNFU-UHFFFAOYSA-N 464.463 3.289 5 40 JGBB COc1ccc(Cn2c(=N)c(S(=O)(=O)c3ccc(C)cc3)cc3c(=O)n4ccccc4nc32)cc1 100863324 OHPRTYIFKULOJP-UHFFFAOYSA-N 486.553 3.327 5 40 JGBB COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccccc2)cc1 409118511 QSJIDSRGNXKXIV-UHFFFAOYSA-N 471.491 3.446 5 40 JGBB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 971811 HDKXSFDZYFPGOF-FQEVSTJZSA-N 458.426 3.228 5 40 JGBB O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)Nc1ccc(Cl)c([N+](=O)[O-])c1 2725810 BJWIZUOCCZIGSG-UHFFFAOYSA-N 470.869 3.480 5 40 JGBB CCN1CCN(c2cc(N3CCN(C(=O)c4ccccc4F)[C@@H](C)C3)c([N+](=O)[O-])cc2F)CC1 14943637 SCERFEKBRNJHCK-KRWDZBQOSA-N 473.524 3.366 5 40 JGBB CC(C)NC(=O)COC(=O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 89885252 RWXSTOJBZDHMGH-UHFFFAOYSA-N 461.430 3.230 5 40 JGBB O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 100022231 YSIBQULRFXITSW-OWOJBTEDSA-N 450.232 3.306 5 40 JGBB CCOCCCn1/c(=N\C(=O)c2cccc(C)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101150349 QDDHQCYARHHJGO-OLFWJLLRSA-N 488.544 3.302 5 40 JGBB CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222728208 IAVSZGKVHXOXNU-YJBOKZPZSA-N 477.539 3.096 5 40 JGBB Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 408686530 RQEQBXRQFOXXEV-SFHVURJKSA-N 461.478 3.389 5 40 JGBB O=C(NCCOc1ccc(F)cc1)c1cc(C(=O)NCCOc2ccc(F)cc2)cc([N+](=O)[O-])c1 8721995 VBSOZEJHDBUZMQ-UHFFFAOYSA-N 485.443 3.491 5 40 JGBB O=C(O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 9316322 NATCCOPVGBHQHE-QHAWAJNXSA-N 459.414 3.344 5 40 JGBB O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9467551 BVRPUULECULUOW-UHFFFAOYSA-N 466.475 3.011 5 40 JGBB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257477 TVDBEQVGMIGBNS-UHFFFAOYSA-N 456.455 3.398 5 40 JGBB Cc1c(N(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)S(C)(=O)=O)cccc1[N+](=O)[O-] 225035802 CTRFCDJRWVRPBT-UHFFFAOYSA-N 481.943 3.480 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1C 408644588 HASDFIONEYRPNJ-ZZTDLJEGSA-N 475.501 3.483 5 40 JGBB Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(=O)n(-c2ccccc2)n1C 11028661 BDZLNHMTUHFJOR-ZDUSSCGKSA-N 458.858 3.230 5 40 JGBB CCCCCn1/c(=N\C(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101095216 AIMNRTWTEZGHPH-SLMZUGIISA-N 459.506 3.152 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)o1 408639418 WOKJGBNLRDUTKT-UHFFFAOYSA-N 460.468 3.325 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(C)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408682114 IXDOOGPOWVMJLS-NHCUHLMSSA-N 461.474 3.485 5 40 JGBB O=c1c2cc(Br)cc(I)c2oc2nc3n(c(=O)c12)CCCS3 2397037 GHKQLEQNOANROZ-UHFFFAOYSA-N 491.104 3.366 5 40 JGBB COc1ccccc1CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 20451994 ADTAMLSQQNNMAW-UHFFFAOYSA-N 455.492 3.115 5 40 JGBB COc1cc(C=O)ccc1OCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 98086254 TVCMGYBLLCGJOC-UHFFFAOYSA-N 467.400 3.162 5 40 JGBB O=C(N[C@H](N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 103931779 DKARRXHRHDLABI-BBEGDGIKSA-N 485.755 3.302 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 408682846 KAELXSBPUQLCQY-WNYOCNMUSA-N 464.434 3.258 5 40 JGBB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409192725 ZTWHBEAIGQRRMU-OVCLIPMQSA-N 462.256 3.467 5 40 JGBB Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1C 9064697 NICGPJYBQDXQKB-UHFFFAOYSA-N 459.484 3.083 5 40 JGBB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 14277264 WDWARIGWGWJGCD-UHFFFAOYSA-N 482.610 3.464 5 40 JGBB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 15629281 XIKLNZWCURSZCH-UHFFFAOYSA-N 498.517 3.396 5 40 JGBB COC(=O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1 409374436 PPSJALQJIWLXSL-UBFBPUDLSA-N 454.438 3.258 5 40 JGBB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccc(F)c([N+](=O)[O-])c4)CC3)CC2=O)cc1 9668536 AYBBRJSUTYCAMV-KRWDZBQOSA-N 468.485 3.273 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(-n2cc(C(=O)c3cc(C)ccc3O)cn2)c([N+](=O)[O-])c1 12530270 YZSKNZHIXQZXAQ-UHFFFAOYSA-N 458.496 3.056 5 40 JGBB O=C(CN1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1)Nc1ccccc1[N+](=O)[O-] 12644376 NGSYUKVDLSFKFU-UHFFFAOYSA-N 455.559 3.266 5 40 JGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)NCc1ccc(Cl)cc1Cl 15277967 GBNQXBMYVNIOPH-UHFFFAOYSA-N 468.293 3.211 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O 248106620 LUKHITMRTGBWBF-AVDZWTPASA-N 480.908 3.296 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 408576206 VYKNJJOAAGOSMP-UHFFFAOYSA-N 476.942 3.262 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 408673083 YLYXPSSIKJDMHN-GFCCVEGCSA-N 481.383 3.157 5 40 JGBB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)Nc1ccc(F)c(F)c1F 409361117 QGEAVXPZZMOKQA-CPSFFCFKSA-N 481.364 3.416 5 40 JGBB COC(=O)c1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 409370616 BIGDWHHBOROHFV-YPHDTHBOSA-N 454.438 3.258 5 40 JGBB O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 2726478 SBDACBPMGGROMM-UHFFFAOYSA-N 471.560 3.373 5 40 JGBB O=C(Nc1cc2c(cc1Br)OCCO2)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9113534 YXADDVUJVXNKOQ-UHFFFAOYSA-N 464.272 3.217 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(N(C)CCc2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1 9130998 DUSMRIBYAHDQJL-UHFFFAOYSA-N 451.545 3.321 5 40 JGBB CCOc1ccc(NC(=O)COC(=O)COc2ccc(Br)cc2)c([N+](=O)[O-])c1 9661722 DMTAEQMHDODBNG-UHFFFAOYSA-N 453.245 3.317 5 40 JGBB O=C(CCn1cnc2sccc2c1=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 22240966 HZNQLLLSGBIIRF-UHFFFAOYSA-N 484.515 3.228 5 40 JGBB CCOC(=O)c1c(-c2ccccc2)nc2c(c1-c1cccc([N+](=O)[O-])c1)c(=O)n(C)c(=O)n2C 32655014 YLJYSFSYIXXEPV-UHFFFAOYSA-N 460.446 3.051 5 40 JGBB O=C(NCCc1cn2c(n1)CCCC2)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32803565 JTMUTWBEBLBKQX-UHFFFAOYSA-N 466.464 3.221 5 40 JGBB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1 225748606 AFZJMFHNTWKMCQ-HJSHSUPBSA-N 489.937 3.270 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1C 409128136 DSKDMSUULRMNAX-CQSZACIVSA-N 454.512 3.254 5 40 JGBB O=C(O)c1cc(NC(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)cc(C(=O)O)c1 3144205 SRHMBMBZLKOSHS-UHFFFAOYSA-N 475.369 3.044 5 40 JGBB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 10165387 PZZSSHROGWOUPI-UHFFFAOYSA-N 474.583 3.343 5 40 JGBB COc1ccc(C(=O)NCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] 12776122 SXSCBYQXYGKJHN-UHFFFAOYSA-N 454.508 3.349 5 40 JGBB CC(C)[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 12805147 FNVIPSDJABHQJL-FQEVSTJZSA-N 459.528 3.301 5 40 JGBB CCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 40399779 OOCZYDPTPHSDAP-CQSZACIVSA-N 482.428 3.024 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCOc1ccc2ccccc2c1)S(C)(=O)=O 223631747 RFFAPOMRROTLKU-KRWDZBQOSA-N 471.535 3.406 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2C=CC=NN21 253487305 IEMYXSMWOYTNJU-OKYOBFRVSA-N 485.283 3.499 5 40 JGBB CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1[C@H](C)NC(=O)c1ccccc1 409144745 OVOVWRVETREWRJ-ZDUSSCGKSA-N 470.511 3.134 5 40 JGBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccncc1 8742633 DPSXPPAXLRFTCM-RDGATRHJSA-N 467.485 3.356 5 40 JGBB biogenic CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 9306241 OMWNFZHLVZSHPM-UHFFFAOYSA-N 486.529 3.357 5 40 JGBB CC(C)C(=O)N1CCN(c2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)cc2[N+](=O)[O-])CC1 9891901 KFYGNQIZXAHFDG-UHFFFAOYSA-N 454.571 3.454 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2C=CC=NN21 18175894 VJSXAFRWPGYHOJ-CWBXHPNXSA-N 466.453 3.345 5 40 JGBB CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@]2(S1)SC(C(=O)OCC)=C(C)N2C 20442445 BHXHUKDPWLYIHU-GOSISDBHSA-N 452.514 3.109 5 40 JGBB COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 224309158 VPDYRFUSKIVNKY-MRXNPFEDSA-N 461.490 3.311 5 40 JGBB COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1[N+](=O)[O-] 409343850 FRFIPSYWMHTPGT-YBFXNURJSA-N 453.476 3.225 5 40 JGBB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1 14276728 CMFQHHURZGRUQM-UHFFFAOYSA-N 475.958 3.434 5 40 JGBB N=c1c(C(=O)NCc2ccccn2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1Cl 101159041 JQEMPMXSUIQIGE-UHFFFAOYSA-N 470.920 3.155 5 40 JGBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 102731447 MFVMACPMKKHFOL-YPAWHYETSA-N 461.430 3.360 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)o3)CC2)c([N+](=O)[O-])c1 408572594 KWKGYNCSGIYHIO-UHFFFAOYSA-N 452.261 3.089 5 40 JGBB COc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409190096 WHGZSABWZUINKM-VIZOYTHASA-N 462.256 3.467 5 40 JGBB Cc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 9382112 JCHFHAJFAPDREV-UHFFFAOYSA-N 465.491 3.471 5 40 JGBB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 14667533 IZQUEHMTEOBNKA-GOSISDBHSA-N 456.930 3.449 5 40 JGBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1CCCN1CCOCC1 15838136 RRVRLWZBMXDZHC-OAQYLSRUSA-N 467.453 3.108 5 40 JGBB Cc1ccc2nc3c(cc(S(=O)(=O)c4ccc(Cl)cc4)c(=N)n3C[C@H]3CCCO3)c(=O)n2c1 100708093 JVPODEADZBCKQE-MRXNPFEDSA-N 484.965 3.102 5 40 JGBB COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 103640292 CXORZIXYLGMBKX-IFXJQAMLSA-N 450.875 3.378 5 40 JGBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225375422 BSEPWNOXPBDRIA-IRXDYDNUSA-N 473.526 3.323 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408676607 AZAYYYJSGCDUFC-IEBWSBKVSA-N 464.434 3.402 5 40 JGBB C[C@H](NC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1)c1ccc2ccccc2c1 9118535 DGVVBEFNZPLZSZ-INIZCTEOSA-N 482.562 3.489 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 9463398 KHIBPEHTCCGXIZ-UHFFFAOYSA-N 488.547 3.300 5 40 JGBB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 13147714 TYUVOGUDIDRGTH-SFHVURJKSA-N 476.507 3.065 5 40 JGBB COc1ccc(CNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1OC 20046925 XEIFTOFOLMHWTA-UHFFFAOYSA-N 485.518 3.124 5 40 JGBB CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCNc1ccccc1[N+](=O)[O-] 28028921 UJVVAEXGFZENHP-JOCHJYFZSA-N 470.551 3.279 5 40 JGBB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225451537 UQHUXVBZDMUNGZ-MSOLQXFVSA-N 457.527 3.357 5 40 JGBB CC[C@@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 260810830 KMRFSBGSUBGIHO-PBHICJAKSA-N 465.528 3.034 5 40 JGBB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)c3)C(=O)[C@@H]21 408656560 FPIUNHQBLJOPEZ-IUEYZOOKSA-N 489.484 3.400 5 40 JGBB CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)Nc4nccs4)n32)CO1 9344633 FGUZOXKYTPPASV-UHFFFAOYSA-N 472.581 3.025 5 40 JGBB CCOc1ccc2nc(NC(=O)COC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1 9661721 MHMMCJOHKDJCTP-UHFFFAOYSA-N 486.506 3.235 5 40 JGBB COC(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c1 9956413 GPWZRVXOZGKTAW-UHFFFAOYSA-N 495.941 3.383 5 40 JGBB Cc1cc(C(F)(F)F)nc2sc3c(ncn4nc([C@H]5CCCN(S(C)(=O)=O)C5)nc34)c12 13644064 WLAZORHLQDGLSB-JTQLQIEISA-N 470.502 3.353 5 40 JGBB CCOC(=O)Cn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2cc([N+](=O)[O-])ccc21 100877330 JXFOXOFHIYZBPG-DQRAZIAOSA-N 453.432 3.022 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1cccc(C(F)(F)F)c1)S(C)(=O)=O 260761890 DYRHWELKTXFEKI-CYBMUJFWSA-N 459.446 3.393 5 40 JGBB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccc([N+](=O)[O-])cc4C)CC3)CC2=O)cc1 9426595 UZUODYDNDDIZOX-IBGZPJMESA-N 464.522 3.442 5 40 JGBB CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 9511942 DMHIBHJZRAYTST-UHFFFAOYSA-N 481.527 3.038 5 40 JGBB Cc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 10860820 DKCVABXTGAJTHO-IBGZPJMESA-N 453.451 3.096 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 408644984 JHNUBRBLUOCOLZ-ZDUSSCGKSA-N 461.858 3.100 5 40 JGBB CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408660675 WSBWPBATTQQVJC-OOOLTRJPSA-N 473.485 3.421 5 40 JGBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2)c1ccccc1C(F)(F)F 3009152 ZNXADTWAPSWNJT-UHFFFAOYSA-N 466.397 3.480 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 408687727 UUKYJBWJBYWIKE-QKYXUNIQSA-N 479.489 3.265 5 40 JGBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)NCCc2ccccc2)n[nH]1 409154377 NVRVIGYUJNZGBW-HXUWFJFHSA-N 482.566 3.291 5 40 JGBB COC[C@H](C)OC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1cc(OC)c(OC)cc12 2302162 YUOYGPVQLWDDHE-LBPRGKRZSA-N 462.462 3.498 5 40 JGBB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 9127482 XCRLSRHPPXDENV-UHFFFAOYSA-N 460.420 3.429 5 40 JGBB C[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 9284356 WFKLZAAYCJNKHX-LBPRGKRZSA-N 453.373 3.304 5 40 JGBB CC(=O)N1CCC(N(Cc2ccc3c(c2)CCO3)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 58214803 DESVTSRTLYETDO-UHFFFAOYSA-N 473.551 3.040 5 40 JGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102086756 ZTOUCCVWYACNCQ-FNGVLVINSA-N 457.486 3.198 5 40 JGBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408662258 XNZOVFTVKZBZDT-KDURUIRLSA-N 467.865 3.440 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)c1 408688133 VUFUVFRNZGQDBW-UYAOXDASSA-N 477.473 3.185 5 40 JGBB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C)cc1 13632979 WOFZCLIZRQCTEB-ZDUSSCGKSA-N 452.920 3.106 5 40 JGBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14273710 NXBMQKOEBQSSIL-UHFFFAOYSA-N 498.565 3.330 5 40 JGBB COc1cc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc(OC)c1OC 16195212 WSGSTWMXFFFLIW-UHFFFAOYSA-N 494.957 3.111 5 40 JGBB O=[N+]([O-])c1cc2c(c(CSc3nnc(N4CCOCC4)n3Cc3ccccc3)c1)OCOC2 17957272 ACWMELIIBKNEAX-UHFFFAOYSA-N 469.523 3.230 5 40 JGBB C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C(=O)O[C@@H]1C2 61996970 JVEWLFXQCRLVCY-KAVBHCITSA-N 455.555 3.244 5 40 JGBB biogenic COCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C(C)=C[C@@H]21 101477973 PRDJUGWKWSACQP-GSPCLOLRSA-N 475.501 3.090 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@H]2C1 408657833 HSIMQJZWCRSOEX-UAOJZALGSA-N 465.462 3.316 5 40 JGBB Cc1nc2ccccc2c2c(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)c3ccccc3n12 23656328 XZDSZICHRXVSHG-MRXNPFEDSA-N 489.557 3.053 5 40 JGBB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)c1 409135353 YRBVOSOYEPNLNB-AWEZNQCLSA-N 454.512 3.254 5 40 JGBB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22533340 MGKLQNXAROZVPY-UHFFFAOYSA-N 452.492 3.417 5 40 JGBB CCc1ccc(Cl)c(CC)c1NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 58082216 IZWLMDSRIJIAJZ-UHFFFAOYSA-N 454.936 3.473 5 40 JGBB CCCCn1/c(=N\C(=O)COc2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103628223 IUMHEAZNYIWIKD-COOPMVRXSA-N 474.517 3.132 5 40 JGBB CCn1c(=O)sc2cc(NC(=O)CCCN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)ccc21 225118867 DNRLMKPTHHXGSQ-UHFFFAOYSA-N 492.579 3.484 5 40 JGBB COc1cc(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)c([N+](=O)[O-])cc1OC 11080956 PDFZGWGIQDFFQP-OAHLLOKOSA-N 459.524 3.046 5 40 JGBB CCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(C)cc3)[nH]c(=O)c21 40400541 ZYABIFOOEXQSLX-HNNXBMFYSA-N 478.465 3.193 5 40 JGBB COc1ccc(CC(=O)NCCN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 97985987 WWEQGNUXGFDCEG-XDHOZWIPSA-N 471.491 3.007 5 40 JGBB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 245225309 RUDXZHXEFNHZKE-OALUTQOASA-N 460.556 3.085 5 40 JGBB O=C(CCC(=O)OCC(=O)Nc1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1 408663304 NEOBNEQNFVFDJD-UHFFFAOYSA-N 450.245 3.258 5 40 JGBB Cc1ccc(S(=O)(=O)NCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 10000482 COCGGQZIDMALDW-QHCPKHFHSA-N 468.487 3.349 5 40 JGBB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 20009008 LAJZGXIMYHIFOV-NRFANRHFSA-N 469.519 3.440 5 40 JGBB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N2CCOCC2)c([N+](=O)[O-])c1 23107723 OYKNIKUBHDTCSB-QHCPKHFHSA-N 462.506 3.185 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccc2c(c1)OCO2 102753163 TZORDYUIPFHCDC-WEMUOSSPSA-N 488.500 3.185 5 40 JGBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408649227 KWQQJCCJOFJGHA-LATRNWQMSA-N 479.876 3.295 5 40 JGBB CC(=O)Oc1cccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)c1 409369577 PRMVLLNRNVOSRC-FGEXJBCWSA-N 454.438 3.397 5 40 JGBB O=C(O)C1CCN(Cc2ccc(OCCCN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)CC1 8763258 LMAZDGVWYZFTIG-UHFFFAOYSA-N 482.581 3.483 5 40 JGBB CCc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2)n1CC 59116469 GBVLLEFLPGGPAD-UHFFFAOYSA-N 468.539 3.429 5 40 JGBB NC1=Nc2nc3ccccc3n2[C@H](C2=C(N3CCOCC3)/C(=C/c3cccc([N+](=O)[O-])c3)CC2)N1 101373600 ZNHHCGRNCRVKME-AKXFXYSNSA-N 471.521 3.456 5 40 JGBB COc1cc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 224137908 AGMVQENJLUUFCU-GOSISDBHSA-N 457.527 3.480 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@H]2C1=O 408688412 WGSAWSLFYNOHHY-HDICACEKSA-N 452.423 3.236 5 40 JGBB CC(=O)N1CCN(c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2[N+](=O)[O-])CC1 15584493 QVESVAMYUKDORW-UHFFFAOYSA-N 450.417 3.212 5 40 JGBB CCOC(=O)C1=C(C)N2C(=N[C@H]1c1cccc([N+](=O)[O-])c1)NC(=S)N[C@@H]2c1cccc([N+](=O)[O-])c1 2033970405 RNBAXTSAHSGYTK-OALUTQOASA-N 496.505 3.229 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1C 13038453 VSGOFEROYVCENZ-UHFFFAOYSA-N 485.522 3.301 5 40 JGBB Cc1cc(C)n2nc(SCc3ccccc3C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)nc2n1 32999808 WISKBAZVXSNEIT-HXUWFJFHSA-N 478.534 3.405 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408678175 CSCBGGXOARTYAL-LJHODMEESA-N 494.460 3.164 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 408685637 POWRGSCVSBKIRV-ZTQAJYAQSA-N 464.434 3.258 5 40 JGBB CNc1ccc(S(=O)(=O)NCC(=O)OCc2csc(-c3ccccc3Cl)n2)cc1[N+](=O)[O-] 9218596 BEBLMHQFIMNFOJ-UHFFFAOYSA-N 496.954 3.435 5 40 JGBB COc1cc(NC(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c(C)cc1[N+](=O)[O-] 9662252 WFAUNHIIHCVKCF-UHFFFAOYSA-N 480.477 3.144 5 40 JGBB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 9667385 PHSLBVCGCDCCAD-UHFFFAOYSA-N 453.904 3.296 5 40 JGBB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 14271290 WUIWMPUAJRFDDD-UHFFFAOYSA-N 471.539 3.153 5 40 JGBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1 40717794 DZDIIPIONQURMV-UHFFFAOYSA-N 495.580 3.378 5 40 JGBB CCOCCCn1/c(=N\C(=O)c2ccc(F)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101160778 IQJRQGUUKOAGMV-FAJYDZGRSA-N 492.507 3.133 5 40 JGBB CC[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224846198 YKTDNBKLVDCEHD-QHCPKHFHSA-N 488.610 3.442 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1C 408644582 HASDFIONEYRPNJ-BZRIBIQUSA-N 475.501 3.483 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O 408683842 MIGNTUFCDLWDOP-HOTGVXAUSA-N 452.423 3.236 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(C(=O)Nn3c(C)ccc3C)cc2)CC1=O 408685948 QNVZNPUPCZXZLH-SFHVURJKSA-N 491.504 3.397 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 408686581 RZYYEWQGFJJTSF-DJKXOVBDSA-N 464.434 3.258 5 40 JGBB COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 13660624 BXGRRDAMTIFNNK-FKBYEOEOSA-N 473.441 3.433 5 40 JGBB COc1ccc(-n2c(C)nc3ccc(NS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3c2=O)cc1 23143967 JZMWYBONAIJZKE-UHFFFAOYSA-N 466.475 3.412 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1[N+](=O)[O-] 23475255 QCEOZYZOGXKZMR-UHFFFAOYSA-N 473.441 3.495 5 40 JGBB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCN(c3nc4sccn4c3[N+](=O)[O-])C2)C1 40149418 FDTOLERDNBVLJX-GJZGRUSLSA-N 478.575 3.036 5 40 JGBB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)c1 408530278 JYIYNJULXQRBMC-OCKHKDLRSA-N 495.517 3.077 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)cc1 408656929 SYXWRCKYWQRXJM-NHCUHLMSSA-N 477.473 3.185 5 40 JGBB CN(Cc1ccccc1Br)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 12517494 TWTMEJXMHOJLIF-UHFFFAOYSA-N 470.345 3.015 5 40 JGBB O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Br 16401477 IFMJGGZFNDIUGQ-UHFFFAOYSA-N 479.356 3.316 5 40 JGBB CC(C)OCCCn1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c(=O)n3ccccc3nc21 101087724 DQTMLYPCFMEUKL-GOSISDBHSA-N 459.550 3.435 5 40 JGBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1[N+](=O)[O-] 408652704 GWHWZDHPYZQVSV-QGZVFWFLSA-N 483.477 3.003 5 40 JGBB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409132330 NYTKDOWUYKSVPZ-FRKPEAEDSA-N 475.391 3.425 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N/C(=O)c1ccccc1Cl 9192288 ZFLVJQNHCAULPE-XAYXJRQQSA-N 494.935 3.175 5 40 JGBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9404529 CIJITGJSIACILI-UHFFFAOYSA-N 491.576 3.116 5 40 JGBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cccc([N+](=O)[O-])c1 12856052 SSIWLVLPWAZXMR-UHFFFAOYSA-N 479.518 3.277 5 40 JGBB Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCCN21 35124462 UQMNCONZWQQSDX-PLOUGOBLSA-N 480.908 3.296 5 40 JGBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222891976 XHVIVGQVRPABFV-HXUWFJFHSA-N 473.526 3.323 5 40 JGBB C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1=O 8635128 FQVUGZBJLUEBSG-SFHVURJKSA-N 481.690 3.416 5 40 JGBB CCN(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 9510282 KDMCSTUQWOBUAL-KRWDZBQOSA-N 492.575 3.247 5 40 JGBB COc1ccccc1N1CCN(C(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)CC1 9511254 MARGODGGIQYOJC-NRFANRHFSA-N 474.945 3.360 5 40 JGBB Cc1ccc(Cn2nnc3c(O)nc(C4CCN(C(=O)c5ccccc5[N+](=O)[O-])CC4)nc32)cc1 13083123 OCPYTNAQDJJEIK-UHFFFAOYSA-N 473.493 3.212 5 40 JGBB O=C(CCCn1c(=O)c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O)NCc1ccc(F)cc1 20851298 NBWXIRYVRPJYSX-UHFFFAOYSA-N 490.491 3.355 5 40 JGBB CC1CCN(c2nnc(SC[C@H](O)COc3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)CC1 32888262 PBOMUAMRZHTUCH-QUCCMNQESA-N 477.587 3.134 5 40 JGBB CCn1c(=O)sc2cc(NC(=O)[C@H](C)N(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)ccc21 225115873 MTBPRGJUKKGYKA-ZDUSSCGKSA-N 478.552 3.093 5 40 JGBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 409140272 QWWDSUOBEBZJQN-UHFFFAOYSA-N 468.539 3.484 5 40 JGBB O=C1C(=O)N(OCc2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]2N1OCc1ccc([N+](=O)[O-])cc1 1762940 MYSNTEKOKCVEEQ-PMACEKPBSA-N 470.438 3.048 5 40 JGBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 9130838 RVVLHPNNSNGWQT-UHFFFAOYSA-N 487.490 3.300 5 40 JGBB Cc1cc(C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C)n1Cc1ccc2c(c1)OCO2 9612408 GYOCCNPXVPSCMW-UHFFFAOYSA-N 451.435 3.412 5 40 JGBB COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1ccc([N+](=O)[O-])cc1 18038484 RXMKFCDYQNGMFF-WZYRSQIMSA-N 475.501 3.090 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)Cc1ccc(OC)cc1 31937013 ZEUITIJAZFAGKT-GNVQSUKOSA-N 488.544 3.161 5 40 JGBB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 100738500 YRFSDQUPWNJDSA-GYHMKYFYSA-N 482.103 3.361 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1cc(C)cc(C)c1 101176781 HWTUOSBOQYMWRL-OLFWJLLRSA-N 488.544 3.220 5 40 JGBB CC[C@H](C(=O)NCc1ccccc1CN1CCCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224796928 BNTXZYNWUXSHCT-JOCHJYFZSA-N 488.610 3.360 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 408656481 SQMRHJPBKQCXFU-WOJBJXKFSA-N 465.462 3.019 5 40 JGBB O=[N+]([O-])c1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCOCC3)n2)cc1 9520012 TVCUWZGXFGQVOB-UHFFFAOYSA-N 468.314 3.232 5 40 JGBB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C 12556013 CUDHDYCRAQBLGI-UHFFFAOYSA-N 460.556 3.317 5 40 JGBB O=C(Cn1c(S)nnc1-c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12784273 PROLALZCDBPSIG-UHFFFAOYSA-N 458.931 3.144 5 40 JGBB COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 102708616 BXGRRDAMTIFNNK-FDFHNCONSA-N 473.441 3.433 5 40 JGBB CCCc1nc(S/C(=C\c2cc(I)c(O)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 408632198 OQMIWOXELXJXOU-POHAHGRESA-N 476.252 3.193 5 40 JGBB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408672586 VMGZMKMKXMMDTE-IKTUDFLQSA-N 489.484 3.089 5 40 JGBB O=C(O)c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 102743379 CKVUZFWTUJPATH-HBMCJLEFSA-N 459.414 3.344 5 40 JGBB Cc1ccc([C@H](CNc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])N2CCOCC2)o1 103910282 XXJOVAWFIBMSMW-VGSWGCGISA-N 492.598 3.402 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408684140 MWJFFSIOBNLGRZ-VQTJNVASSA-N 465.437 3.315 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 9699591 OZQSIZOUGMEVAF-LLVKDONJSA-N 457.892 3.059 5 40 JGBB O=C(c1ccc(Sc2ccccn2)cc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 69950622 MBLDHEZDWVFGTG-UHFFFAOYSA-N 484.559 3.288 5 40 JGBB CC[C@@H](C(=O)NCc1ccccc1CN1CCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224796775 YZCVBIWLDJCWNW-QFIPXVFZSA-N 474.583 3.052 5 40 JGBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408660669 WSBWPBATTQQVJC-MKJVIKKCSA-N 473.485 3.421 5 40 JGBB Cc1c(NS(=O)(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 9713924 BIPVJNGVDUBKQO-UHFFFAOYSA-N 494.533 3.201 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)COc1ccc2ccccc2c1 11690899 RNQZKOICVMAWRX-GNVQSUKOSA-N 482.496 3.022 5 40 JGBB Nc1ccc(C(=O)OCc2ccc(COC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2)cc1[N+](=O)[O-] 12538306 PQJZKLYKZUYXSF-UHFFFAOYSA-N 466.406 3.381 5 40 JGBB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20479047 DVPXOBKZZHCRFA-UHFFFAOYSA-N 482.518 3.311 5 40 JGBB CCOc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 28436061 BOIGQTNKGWDVNI-GOSISDBHSA-N 463.512 3.184 5 40 JGBB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 40149603 UGXBZOMFBWODLP-KBPBESRZSA-N 476.331 3.430 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccc([N+](=O)[O-])cc1 102919094 CLXOWWRKZIOLMG-HPNDGRJYSA-N 489.488 3.365 5 40 JGBB CC[C@@H](C(=O)Nc1nnc(SCC(C)C)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224600807 IPYGLBKXDFRMFX-AWEZNQCLSA-N 473.602 3.378 5 40 JGBB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225448906 KJWIOROAWODUDG-FQEVSTJZSA-N 457.527 3.358 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408853991 VDZSWUCVSNKQQR-SARUNTBLSA-N 497.529 3.087 5 40 JGBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2nccs2)n1C 409139444 AKBAUGMQAVOVJQ-HNNXBMFYSA-N 475.556 3.038 5 40 JGBB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)c1 409156513 OOCMHJMIWBXZIY-UHFFFAOYSA-N 454.512 3.001 5 40 JGBB O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C1=O)Nc1cccc(F)c1 409243673 ZKRXUMQSFDIZJG-LHHJGKSTSA-N 462.371 3.023 5 40 JGBB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c12 12760177 LTSZUPLZFKURSX-INIZCTEOSA-N 455.496 3.137 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1C 13424591 GAHFOPZPKZTWQX-UHFFFAOYSA-N 458.456 3.250 5 40 JGBB COc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 16216298 RXDYVIBFBTYQHH-UHFFFAOYSA-N 468.457 3.459 5 40 JGBB CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 33795270 CKMTWYCYEIZVIH-UHFFFAOYSA-N 472.502 3.049 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N/C(=O)C(C)(C)Oc1ccc(Cl)cc1 101177158 VCCIQHPGDPGMBO-SGWCAAJKSA-N 494.935 3.301 5 40 JGBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225417942 GESJPRXPNBPUJH-HXUWFJFHSA-N 473.526 3.324 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(CC)cc3)CC2)c([N+](=O)[O-])c1 408576926 YWVXBKZMJSSOQX-UHFFFAOYSA-N 470.551 3.171 5 40 JGBB CCOC(=O)C1=C(C)N(N)C(=S)N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732709 XRSGEYSCZWHREJ-FQEVSTJZSA-N 472.523 3.124 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 409052729 LWAGDBYLGKSQSD-UHFFFAOYSA-N 456.930 3.449 5 40 JGBB COCCCNC(=O)CSc1nc2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12 2968967 JUALVNGEFZCPBV-UHFFFAOYSA-N 452.496 3.098 5 40 JGBB Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nn12 8832401 FQCAFCGMWNNUNV-UHFFFAOYSA-N 465.495 3.158 5 40 JGBB Cc1ccc2nc(COC(=O)[C@H](C)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc(=O)n2c1 9635353 XLJSJFVZJQPTLB-LBPRGKRZSA-N 450.373 3.474 5 40 JGBB CC(=O)Nc1ccc(NC(=O)CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn23)cc1 9829065 OBGMDCBUMJYDGF-UHFFFAOYSA-N 463.479 3.389 5 40 JGBB O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NCCCN1CCCC1=O 9860241 MBQUURWTDYOFNF-UHFFFAOYSA-N 496.575 3.044 5 40 JGBB CC(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 10602636 JAZRVUIFTDSTJH-UHFFFAOYSA-N 489.428 3.096 5 40 JGBB Cc1cc(=O)c(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)nn1-c1ccccc1[N+](=O)[O-] 21601025 KVYKKOYEXDVNSE-FQEVSTJZSA-N 478.896 3.355 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 22757902 AYRZKHMEHMOYMW-SARUNTBLSA-N 497.529 3.087 5 40 JGBB CC(C)Cn1c(=N)c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3ccccc3nc21 101042035 ACHYRMNBXMWDAD-UHFFFAOYSA-N 487.379 3.380 5 40 JGBB Cc1c(NC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 408609331 MZOZMWBHQZXDBC-UHFFFAOYSA-N 456.318 3.066 5 40 JGBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)N[C@H](C)c1ccccc1 409147187 VFDRXZNWWZSJHW-OAHLLOKOSA-N 468.539 3.106 5 40 JGBB COc1ccc(C(=O)NCCc2nnc3ccc(SCc4cccc([N+](=O)[O-])c4)nn23)cc1 9578652 INBMFZUONYFLTC-UHFFFAOYSA-N 464.507 3.306 5 40 JGBB Cc1ccc(NC(=O)COC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 11441405 VTSLKMYJMCHWFT-UHFFFAOYSA-N 458.515 3.043 5 40 JGBB O=C(NCCN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O)c1ccc(Br)o1 14670450 GCONRABEPKTTHZ-LCYFTJDESA-N 466.269 3.417 5 40 JGBB O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2nc([C@@H]3COc4ccccc4O3)nn12 16734193 BZDBCHPPWBUUAK-ATASCALFSA-N 474.454 3.379 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 19868387 AXUBPPFNLOOPEP-UHFFFAOYSA-N 467.931 3.437 5 40 JGBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)Cc1ccccc1N1CCOCC1 24191364 UEZUTAKFQGBMQY-QFIPXVFZSA-N 488.972 3.498 5 40 JGBB CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1 24320667 QKMWUBMNRMKKPJ-UHFFFAOYSA-N 454.936 3.119 5 40 JGBB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NCCS(=O)(=O)Cc3ccccc3)c([N+](=O)[O-])c2)C1 32916242 NZJCYPSERPGWDQ-ROUUACIJSA-N 495.623 3.288 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)CC1=O 138522515 FZHSROJGNNYTJE-CYBMUJFWSA-N 461.858 3.100 5 40 JGBB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 408544280 UYFJOCZQDVIRJQ-UHFFFAOYSA-N 488.957 3.392 5 40 JGBB CCOc1cc(Br)c([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC 408570067 YKHRVHJUFULXGO-NQZBTDCJSA-N 476.327 3.378 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 408688465 WIJGNZCIAPZCFU-OALUTQOASA-N 452.423 3.236 5 40 JGBB CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1[C@@H](C)NC(=O)c1ccccc1 409144742 OVOVWRVETREWRJ-CYBMUJFWSA-N 470.511 3.134 5 40 JGBB O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCCC2)Nc1cccc([N+](=O)[O-])c1 10186759 OPUJMPONRITJDP-UHFFFAOYSA-N 451.508 3.204 5 40 JGBB CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nn12 14269261 IJJSXNXHJYYKOD-UHFFFAOYSA-N 467.536 3.128 5 40 JGBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@H]3c4ccccc4C=NN23)cc1 248146333 SPXLHZZSXXYQPW-YCAMKHIRSA-N 496.479 3.365 5 40 JGBB COC(=O)CN1C(=O)N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O 408549687 XAQUQGAQZVWJTJ-UDWIEESQSA-N 461.430 3.393 5 40 JGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(OC(=O)c2ccco2)cc1 408639129 VHRKTKMNNJEELQ-MRXNPFEDSA-N 478.413 3.186 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)c1 408688130 VUFUVFRNZGQDBW-QUCCMNQESA-N 477.473 3.185 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1 408693436 ULBUYPHWQFETMW-UHFFFAOYSA-N 463.512 3.429 5 40 JGBB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 408713663 JCCXTGVPLODISA-CQSZACIVSA-N 451.476 3.090 5 40 JGBB O=c1c2c(N3CCOCC3)c(F)c(N3CCOCC3)c(F)c2sc2nc3ccccc3n12 1424424 CNFHDLOKCITJSQ-UHFFFAOYSA-N 458.490 3.014 5 40 JGBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 12883702 GXAFPDSXCGFAME-UHFFFAOYSA-N 450.325 3.110 5 40 JGBB CCOCCCn1/c(=N/C(=O)c2cccc(F)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 13029668 GWENAYCWBQBRGJ-BYNJWEBRSA-N 492.507 3.133 5 40 JGBB CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 14273647 UOVRYGRSOPSQGU-UHFFFAOYSA-N 470.507 3.189 5 40 JGBB CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccccc1 15129219 UYOBIWVMPZUKGZ-OAQYLSRUSA-N 462.572 3.111 5 40 JGBB O=C1C(=O)N(OCc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]2N1OCc1ccccc1[N+](=O)[O-] 16034801 VNXYPOIEXLPCGF-WOJBJXKFSA-N 470.438 3.048 5 40 JGBB CC[C@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225070016 GEIRXWZIQBCUMU-QGZVFWFLSA-N 491.551 3.305 5 40 JGBB COC(=O)C1=C(C)Nc2nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c2[C@@H]1c1cccnc1 100821756 BRNZLKMTTYREOE-QGZVFWFLSA-N 465.491 3.370 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)/C=C\C=C\SC 195534985 SWLLCIOFUOIJOJ-IBIXXMFWSA-N 496.589 3.031 5 40 JGBB CS(=O)(=O)N(CCCC(=O)NCCOCc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 224936218 WEVHWLXZSZYQNT-UHFFFAOYSA-N 469.947 3.127 5 40 JGBB O=C(Oc1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408672515 VHJSTMVJEQFLSK-LPTQZCDUSA-N 477.473 3.233 5 40 JGBB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9962470 MFIVACULPCTYLQ-FZKQIMNGSA-N 483.930 3.122 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccccc1OC 103001069 WUOKFXYBXBJIIH-HPNDGRJYSA-N 460.490 3.157 5 40 JGBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 408683768 MDESYXUVXVNSQL-UHFFFAOYSA-N 474.385 3.039 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccccc4Cl)c3[nH]2)C1 1334749 LVMUKEICFIVRCM-INIZCTEOSA-N 493.911 3.144 5 40 JGBB C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)[C@H]12 9448624 YUIRQXJSEOGENO-LERLXCPZSA-N 484.896 3.056 5 40 JGBB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 138752709 CUZWPBRPUGKHNK-CYBMUJFWSA-N 461.858 3.100 5 40 JGBB C[C@@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223631828 ZVPNFRQHZBBAMA-INIZCTEOSA-N 457.508 3.098 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 408644144 GWEALIQQWKOASE-UHFFFAOYSA-N 474.385 3.039 5 40 JGBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 3142717 GSGAVDXWILPBTF-UHFFFAOYSA-N 486.396 3.095 5 40 JGBB O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cccs2)CC1 9337689 JFGOYRJAMKLECK-UHFFFAOYSA-N 478.596 3.183 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3ccco3)[C@@H]2C1=O 103904367 HTCZVYAVWCEEIZ-VAFVZNMKSA-N 485.452 3.469 5 40 JGBB CC[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224484003 PGEMWTUFSVRUCO-NRFANRHFSA-N 475.567 3.004 5 40 JGBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 408653114 IBEBNRNCKQRCLX-ZDUSSCGKSA-N 476.283 3.201 5 40 JGBB O=c1c2ccccc2c(=O)c2c1c1c(=O)c3ccccc3c(=O)c1c1c(=O)c3ccccc3c(=O)c21 1733741 ROOIWDXDWBSWMS-UHFFFAOYSA-N 468.420 3.080 5 40 JGBB CNc1ccc(C(=O)c2ccccc2C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] 12592402 KLKZLTHXBDLTHH-UHFFFAOYSA-N 472.501 3.466 5 40 JGBB Cc1ccc(-c2noc([C@@H](C)N3CCN(S(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)CC3)n2)cc1 31583970 DERGITLWRTXTEE-QGZVFWFLSA-N 471.539 3.329 5 40 JGBB Cc1c(OCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)ccc2c1oc(=O)c1ccccc12 208171096 WFOPTRUMUYHDTG-ZWKOTPCHSA-N 456.498 3.441 5 40 JGBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225518778 YTCPTNUVZSRTGC-HSZRJFAPSA-N 477.517 3.368 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 408576238 WISSQTWGBQGFMV-RMKNXTFCSA-N 454.439 3.042 5 40 JGBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408650704 MTCYMNYRWZUPTI-LVNJIZSUSA-N 479.876 3.295 5 40 JGBB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)C)cc1 3376150 TYJSMZFOKSRAEG-FQEVSTJZSA-N 475.885 3.387 5 40 JGBB COc1ccc(Nc2nc3nonc3nc2Nc2ccc(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 6136543 FCSAHCICABQVFE-UHFFFAOYSA-N 454.359 3.334 5 40 JGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 9367612 QVLGJGXYWXCSDG-XCVCLJGOSA-N 460.449 3.444 5 40 JGBB CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 95588558 SGEGUTQDQLVQKS-UHFFFAOYSA-N 468.539 3.484 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408642779 FEKVAFXTLIFSOX-XMCHAPAWSA-N 494.460 3.164 5 40 JGBB C[C@@H]1CCCN(c2ccc(C(=O)OCc3cccc(S(=O)(=O)N(C)C)c3)cc2[N+](=O)[O-])C1 12541349 VQUSGESSRISRPU-MRXNPFEDSA-N 461.540 3.438 5 40 JGBB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14279033 JICULJYAGHIQHO-UHFFFAOYSA-N 479.522 3.467 5 40 JGBB CN(C)[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccsc1 25331534 DSQCZYALLNTYMD-HXUWFJFHSA-N 474.564 3.490 5 40 JGBB Cc1cc2nnc(Sc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[N+](=O)[O-])n2c2ccccc12 34859016 RJCPXURQZNLWQI-UHFFFAOYSA-N 498.590 3.186 5 40 JGBB O=C(Oc1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408649728 ABQPIGWBMRVLGO-IWMITWMQSA-N 475.457 3.009 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C(=O)c3ccccc3)C(=O)[C@@H]21 408655326 ROCXPRMRTWOGEL-WWEWDKITSA-N 461.474 3.421 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)c1 408684789 OBUHBQWUBUQPDM-CVAIRZPRSA-N 479.489 3.265 5 40 JGBB Cc1cnc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)s1 409129559 GWUNCSMMVULGMV-MRXNPFEDSA-N 489.583 3.346 5 40 JGBB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(C)nc2[N+](=O)[O-])ccc1C 9469221 JTIMSSRPAOQURU-OAHLLOKOSA-N 450.517 3.043 5 40 JGBB Cc1ccc([C@H](CNc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])N2CCOCC2)o1 35292556 XXJOVAWFIBMSMW-JTSKRJEESA-N 492.598 3.402 5 40 JGBB O=C(COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1)NC1CC1 59800482 WMKNJQNDVJVYQC-UHFFFAOYSA-N 466.538 3.215 5 40 JGBB COc1ccc(Cn2c(=N)c(C(=O)NCc3ccc(F)cc3)cc3c(=O)n4ccccc4nc32)cc1 101158474 GYHHACSJRGEHNW-UHFFFAOYSA-N 483.503 3.255 5 40 JGBB COC(=O)CN1C(=O)N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 408548370 GYSGMTFNBQHZFD-RIYZIHGNSA-N 465.340 3.472 5 40 JGBB O=c1c2c3nc4ccccc4nc3n(-c3ccc4c(c3)OCCO4)c2ncn1C[C@@H]1CCCO1 2256532 KEGPBQFFDMNGBD-INIZCTEOSA-N 455.474 3.234 5 40 JGBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9540692 KNZSPKLQUZEYEJ-UHFFFAOYSA-N 498.370 3.154 5 40 JGBB CCCC[C@]1(C)NC(=O)N(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1=O 13097731 UFZSHRADFPFOAT-IBGZPJMESA-N 457.453 3.194 5 40 JGBB C[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1F 23280745 LSJDDQCNIWPOLA-NSHDSACASA-N 482.262 3.187 5 40 JGBB Cc1c(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cccc1[N+](=O)[O-] 222773124 XUSYZYGOSHJAIN-UHFFFAOYSA-N 453.889 3.461 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C/c3nc(O)nc(O)c3[N+](=O)[O-])cc2)cc1 409311539 GYFYILQFHSYUHD-IZZDOVSWSA-N 450.407 3.070 5 40 JGBB O=C(CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)Nc1cc([N+](=O)[O-])ccc1F 9669360 XQVFQNXAPULQAY-UHFFFAOYSA-N 458.353 3.339 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(OCc2cc(=O)oc3cc(OC)ccc23)c([N+](=O)[O-])c1 12563698 KDGRPRCIFXETBF-UHFFFAOYSA-N 462.480 3.319 5 40 JGBB O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 12794615 DKLOOSXLDFRPAX-UHFFFAOYSA-N 488.953 3.346 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 39484428 VOSQXBLVHBJGHW-UHFFFAOYSA-N 463.512 3.429 5 40 JGBB CCCCn1/c(=N\C(=O)c2cccs2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176570 SMLLIEDJZKHVGX-QQTULTPQSA-N 450.520 3.429 5 40 JGBB CCCn1/c(=N\C(=O)c2ccc(F)c(F)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103001443 ZIRKTNWXHXMJAH-HFTWOUSFSA-N 466.444 3.255 5 40 JGBB O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 229859394 ZYKKMTQQEOTIMY-PDGJWGCVSA-N 455.426 3.461 5 40 JGBB COc1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)c(OC)c3)o2)c([N+](=O)[O-])c1 408637889 NTOSOJUJZMKDPJ-UHFFFAOYSA-N 460.468 3.325 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 408686584 RZYYEWQGFJJTSF-WNYOCNMUSA-N 464.434 3.258 5 40 JGBB O=C(Nc1nnc(-c2ccccc2)o1)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 9882088 VMSKLIIAMZVIAE-UHFFFAOYSA-N 491.913 3.338 5 40 JGBB COC[C@@H](C)NS(=O)(=O)c1ccc(N2CCN(c3cc(Cl)ccc3C)CC2)c([N+](=O)[O-])c1 15164294 VVQGINLWWBENBJ-MRXNPFEDSA-N 482.990 3.196 5 40 JGBB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@H]3c4ccccc4C=NN32)cc1 18145971 SPXLHZZSXXYQPW-UEQSERJNSA-N 496.479 3.365 5 40 JGBB COc1ccc(-n2c(C)nc3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3c2=O)cc1 22501633 MXIUAMVPGQLLAY-UHFFFAOYSA-N 466.475 3.412 5 40 JGBB CCOCCCn1/c(=N\C(=O)c2ccc(C)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101091803 VMLIXWYSVMBNMO-OLFWJLLRSA-N 488.544 3.302 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408666053 SBPAMYOJMLLKAQ-RTBURBONSA-N 465.462 3.378 5 40 JGBB CCCCn1c(=O)c(CCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nc2ccccc21 2626555 GWQDDVFHIXNYFG-UHFFFAOYSA-N 470.457 3.358 5 40 JGBB O=C1N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 9090194 ALBWRWVEOLCMFT-XHBSWPGZSA-N 481.355 3.362 5 40 JGBB O=C(CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn12)N1CCN(c2ccccc2)CC1 9240867 FHPGALWPZSZEIN-UHFFFAOYSA-N 475.534 3.140 5 40 JGBB O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCCC2)Nc1cccc([N+](=O)[O-])c1 10186760 PBFKAKGYCHOSNA-UHFFFAOYSA-N 451.508 3.204 5 40 JGBB Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cs1 13134935 DGNWMMBIQMQHLG-UHFFFAOYSA-N 489.531 3.301 5 40 JGBB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1 14271747 KVNWJWRAZRCWKP-UHFFFAOYSA-N 461.931 3.044 5 40 JGBB CCCCn1c(=N)c(C(=O)NCCc2ccc(OC)cc2)cc2c(=O)n3cccc(C)c3nc21 101152965 BMJQXLJSYWEFKK-UHFFFAOYSA-N 459.550 3.218 5 40 JGBB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=C[C@@H](C)[C@@H]2C1=O 408655320 ROCXPRMRTWOGEL-ALGWMNEGSA-N 461.474 3.421 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)cc1 408685659 PSJIWODDYKZBQY-NHCUHLMSSA-N 477.473 3.185 5 40 JGBB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)c1 409353802 RUFYGIFALQDASU-UHFFFAOYSA-N 474.930 3.346 5 40 JGBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1C[C@H](O)c1ccccc1 9288969 MIYPQWVHOVHLCA-DXBVXKBHSA-N 496.523 3.495 5 40 JGBB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12527098 ZEKZUBIXBVILLP-UHFFFAOYSA-N 480.443 3.340 5 40 JGBB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 13149607 YDRYZPWBMCIKSV-UHFFFAOYSA-N 489.440 3.195 5 40 JGBB O=C(Oc1coc(CSc2nnc(NC(=O)C3CC3)s2)cc1=O)c1ccc([N+](=O)[O-])cc1 15391456 FQYGRLVZUBSIND-UHFFFAOYSA-N 474.476 3.260 5 40 JGBB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16384627 ZSEFVRADHIIYNH-UHFFFAOYSA-N 499.427 3.485 5 40 JGBB COc1ccnc(N2CCN(c3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[N+](=O)[O-])CC2)n1 40155601 KDULBGVEVGXPIU-UHFFFAOYSA-N 498.565 3.138 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)c1 408684793 OBUHBQWUBUQPDM-XFQXTVEOSA-N 479.489 3.265 5 40 JGBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 8970925 HAYDRMODAPZUBJ-UHFFFAOYSA-N 479.518 3.277 5 40 JGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)nc12 10186786 ONGHYCIFAMIADR-UHFFFAOYSA-N 482.565 3.314 5 40 JGBB CS(=O)(=O)c1ccc(NCCNC(=O)CSCc2cccc(Cl)c2)c([N+](=O)[O-])c1 16785099 NVBGJWMDEWNGHZ-UHFFFAOYSA-N 457.961 3.113 5 40 JGBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccncc1 8964894 DPSXPPAXLRFTCM-DHLKQENFSA-N 467.485 3.356 5 40 JGBB biogenic COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)N1N=Cc3ccccc3[C@@H]21 9329674 DXSAHCHJDKAGLU-KIHHCIJBSA-N 496.479 3.365 5 40 JGBB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCc3cccc([N+](=O)[O-])c3)s2)cc1 9600155 TZIWUBHMGHHFHO-UHFFFAOYSA-N 479.565 3.241 5 40 JGBB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 14276729 XBLHEVMQUXARRK-UHFFFAOYSA-N 475.958 3.434 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)cc1 21903130 DIPPCWYGOOXABG-IBGZPJMESA-N 488.522 3.030 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 38772417 XBOIBOHXGXPCDC-SFHVURJKSA-N 461.540 3.217 5 40 JGBB CCOC(=O)Cn1/c(=N/C(=O)c2coc3ccccc3c2=O)sc2cc([N+](=O)[O-])ccc21 100877333 LRUKMBLITDNQSB-DQRAZIAOSA-N 453.432 3.022 5 40 JGBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])cc(OC)c3O)C2=O)cc1 409083346 AEWUFURPZBYOEY-RQZCQDPDSA-N 473.463 3.383 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCN(c2ccc(O)cc2)CC1 8686933 PGISJEBRDRNMQI-UHFFFAOYSA-N 454.508 3.428 5 40 JGBB Nc1ccc([N+](=O)[O-])cc1N(CC(=O)c1ccc(Cl)cc1)S(=O)(=O)C12CCN(CC1)CC2 9086706 XVOSFAOSHYURTK-UHFFFAOYSA-N 478.958 3.088 5 40 JGBB CC[C@H](Sc1nnc(CNC(=O)c2cccc(C)c2)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 9095882 RJTDWTACKTYXKF-SFHVURJKSA-N 468.539 3.471 5 40 JGBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)NC(=O)c1ccco1 57291884 VOYHYZGGPJGJCD-CYBMUJFWSA-N 458.500 3.329 5 40 JGBB Cc1cc(O)nc(Sc2ccc([N+](=O)[O-])cc2/C=c2/sc3nc4ccccc4n3c2=O)n1 106945151 NMEPRNRGGOGNPS-LICLKQGHSA-N 463.500 3.320 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 408666358 YYBPBPBWEMGHIV-UHFFFAOYSA-N 487.465 3.069 5 40 JGBB Cc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1[N+](=O)[O-] 409217855 XPJZCWCFAWJPDU-UHFFFAOYSA-N 468.539 3.047 5 40 JGBB CC(C)N(C(=O)COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccc1 3301603 WCJZMDFYKNSFDV-UHFFFAOYSA-N 455.496 3.473 5 40 JGBB CC[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)n1nnc(-c2ccc(Cl)cc2)n1 12594201 WDPQOGDRYGFZFD-QGZVFWFLSA-N 455.906 3.202 5 40 JGBB Cc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2C(=O)O)cc1[N+](=O)[O-] 16347840 JVOUUAZKVOBWDX-UHFFFAOYSA-N 485.259 3.333 5 40 JGBB COc1ccc(OC)c2sc(N(CCCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])o3)nc12 22997845 NYLIBBNOGBGDJH-UHFFFAOYSA-N 476.511 3.184 5 40 JGBB Cc1ccc2nc3c(cc(C(=O)N[C@H](C)c4ccccc4)c(=N)n3CCCn3ccnc3)c(=O)n2c1 100848271 JRJHMDNBTYHLDX-LJQANCHMSA-N 481.560 3.215 5 40 JGBB CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1 225381000 KSWLBKDFQCERCT-UHFFFAOYSA-N 467.916 3.171 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]2C1 408657829 HSIMQJZWCRSOEX-JSNMRZPZSA-N 465.462 3.316 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N/C(=O)c1cccc(Cl)c1 9216124 CAPXSEJRHCMKTJ-XAYXJRQQSA-N 494.935 3.175 5 40 JGBB O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccnn1Cc1ccccc1Cl 12562430 UIXWGEVPQACDHQ-UHFFFAOYSA-N 454.918 3.254 5 40 JGBB Cc1ccc([C@@H](OC[C@@H](O)CN[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 34868036 DJKJEDRVBXWITK-SSUZURRFSA-N 466.534 3.054 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 9055341 OMRPMHAWGPAPAG-UHFFFAOYSA-N 459.414 3.499 5 40 JGBB Cc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4C)CC3)cs2)cc1 12780678 CFQUBERZVXTZAZ-UHFFFAOYSA-N 486.575 3.482 5 40 JGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102086768 ZTOUCCVWYACNCQ-RWAISMCRSA-N 457.486 3.198 5 40 JGBB CC[C@@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224447421 FNRIFUCGNTWHBR-ZDUSSCGKSA-N 459.575 3.130 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408678842 DLKMFRHXTONONT-IRXDYDNUSA-N 450.407 3.012 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408682199 JDSACQARYKAPIN-PMACEKPBSA-N 464.434 3.402 5 40 JGBB COc1cc(C(c2c(O)n[nH]c2C)c2c(O)n[nH]c2C)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409002856 BPGHASSDLKVTMF-UHFFFAOYSA-N 479.449 3.477 5 40 JGBB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 4109482 QYPXKKHDZUAVPC-UHFFFAOYSA-N 455.540 3.170 5 40 JGBB CC(=O)c1ccc(N2CCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 9469020 CNLSMDOQYREDTC-UHFFFAOYSA-N 457.430 3.418 5 40 JGBB COc1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(OC)cc1Cl 14274423 UEQJNVVMNXHBKA-UHFFFAOYSA-N 480.930 3.229 5 40 JGBB O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)c1ccccc1 35544382 RPWBZPHMTVYZPA-UHFFFAOYSA-N 456.432 3.141 5 40 JGBB COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Br)cc1[N+](=O)[O-] 85342888 MDKJOAFUYADUEE-UHFFFAOYSA-N 454.258 3.191 5 40 JGBB COC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cc(Br)ccc21 100876381 FJWSHCSOSWTMQC-ICFOKQHNSA-N 456.299 3.349 5 40 JGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(Cl)c(Cl)c1 408665277 DJNKEVIXAWXZJY-LLVKDONJSA-N 452.250 3.436 5 40 JGBB C[C@H](OC(=O)CCNC(=O)CCC(=O)c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 16047138 GTRBOEXPURECSW-HNNXBMFYSA-N 466.450 3.418 5 40 JGBB COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@@H](c2cccc([N+](=O)[O-])c2)CN1C 17056308 PELVCMHDFSMXKJ-WPWBMXPQSA-N 458.474 3.374 5 40 JGBB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] 19818483 HVYDRMDWDHCNMY-UXHICEINSA-N 452.467 3.096 5 40 JGBB O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 71842117 OEBOTESMOPTLJP-UHFFFAOYSA-N 487.944 3.465 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 9357322 VGULNLHYUPZCCO-OAHLLOKOSA-N 453.314 3.187 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1N=Cc3ccccc3[C@@H]21 103559349 LQOBGSNNHUIBBD-WOZUAGRISA-N 460.490 3.397 5 40 JGBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCCOc1ccc(Br)cc1 9516601 JBERYMNOTBNUHD-UHFFFAOYSA-N 480.300 3.268 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1csc(-c2ccc(F)cc2)n1 9594104 CPPPJISATIDXKA-UHFFFAOYSA-N 479.511 3.457 5 40 JGBB NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(NSc3ccc([N+](=O)[O-])cc3)c2)cc1 16399676 IQWUMQWITPAVLS-UHFFFAOYSA-N 480.549 3.162 5 40 JGBB CN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2Cl)CC1 22567515 PGJQLXAPFUZDQP-UHFFFAOYSA-N 459.934 3.089 5 40 JGBB C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 40149604 UGXBZOMFBWODLP-KGLIPLIRSA-N 476.331 3.430 5 40 JGBB Cc1cc(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c(C)n1Cc1cccs1 70037709 DOXJFOSVPRWKLE-UHFFFAOYSA-N 476.580 3.368 5 40 JGBB COc1ccc(CCn2c(=N)c(C(=O)NC3CCCC3)cc3c(=O)n4cccc(C)c4nc32)cc1 101082082 UHAULACZGPNUCX-UHFFFAOYSA-N 471.561 3.361 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CCCN1[C@@H]2C(=O)c1ccc(Cl)cc1 217579061 PVYHLQMIDHACIG-XCLNPWKQSA-N 469.881 3.092 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 408648666 KAWCBVMTRBYMRW-PMACEKPBSA-N 465.462 3.019 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@H]2C1 408657840 HSIMQJZWCRSOEX-XMCHAPAWSA-N 465.462 3.316 5 40 JGBB COC(=O)c1c(NC(=O)Cn2cc(Br)c([N+](=O)[O-])n2)sc2c1CC[C@H](C)C2 2747221 DTJQGUOTHJOFAO-QMMMGPOBSA-N 457.306 3.165 5 40 JGBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 9403938 GJFWLFTYTXFUBN-JTQLQIEISA-N 467.356 3.171 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 9509361 STRURMJXFNCPGK-UHFFFAOYSA-N 475.413 3.200 5 40 JGBB Cc1ccccc1-n1nnnc1Sc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 13134824 HRTCXCAJBQGSPU-UHFFFAOYSA-N 460.541 3.205 5 40 JGBB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)co2)s1 15391428 CCKSKDPJPMFOHW-UHFFFAOYSA-N 462.465 3.178 5 40 JGBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)OCC(=O)N1CCN(CCOc2ccccc2)CC1 23076451 SGZSCTUYVRECGG-VQHVLOKHSA-N 473.913 3.028 5 40 JGBB COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408674288 YZZAUILIWJXACR-OHOGDBNVSA-N 478.457 3.345 5 40 JGBB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)cc1 409139993 PLSUCWAAOBOLFU-CQSZACIVSA-N 454.512 3.254 5 40 JGBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])C2=O)cc1 409243934 ZEDPGSXTFXLYTH-GIJQJNRQSA-N 473.463 3.296 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 1801538 OZIODIWMKNRWLJ-OLROSQPISA-N 483.933 3.360 5 40 JGBB CCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2-c2ccccc2)s1 3431959 JMQXYZOPODTELC-UHFFFAOYSA-N 454.497 3.388 5 40 JGBB O=C(NCc1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 9584806 GAGOVMHHSPAWHR-UHFFFAOYSA-N 455.448 3.054 5 40 JGBB O=C(NCCC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 24229634 ITCXAHSKNUSKAK-UHFFFAOYSA-N 464.444 3.078 5 40 JGBB CCCN(CC1CC1)S(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32770645 CARKLQSKWMQCMJ-UHFFFAOYSA-N 450.483 3.102 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1cccc(CN2CCCC2)c1)S(C)(=O)=O 224633919 PTKPSLSOKFGDQZ-UHFFFAOYSA-N 488.610 3.362 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408680350 GDOGNHZSTDYFAW-VOBQZIQPSA-N 467.453 3.395 5 40 JGBB O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1Br 20410903 VOTGKIFFGBBPME-UHFFFAOYSA-N 465.329 3.321 5 40 JGBB CCCc1nc(N(C)CCc2ccccc2)ncc1C(=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 257277916 OAAOAFWRUMQCSQ-UHFFFAOYSA-N 483.550 3.135 5 40 JGBB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 408637159 GFZMWSGASPZLLK-SFHVURJKSA-N 468.462 3.331 5 40 JGBB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)ccc1Br 408663741 BLLKSYKDHGCDLZ-CYBMUJFWSA-N 476.283 3.201 5 40 JGBB CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 409191017 YNUNCVKVNBVICU-OQLLNIDSSA-N 479.230 3.301 5 40 JGBB O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1ccc(Cl)cc1 9433928 PKJIPIZXNZKINJ-XMSQKQJNSA-N 454.870 3.433 5 40 JGBB Cc1ccc2nc(COC(=O)c3ccc(OS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)cc(=O)n2c1 9465487 ORUYVZRXULMWJZ-UHFFFAOYSA-N 495.469 3.036 5 40 JGBB Cc1c(NCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cccc1[N+](=O)[O-] 12561810 AVJYRZVIFPWKHO-UHFFFAOYSA-N 468.535 3.001 5 40 JGBB COc1ccc(OC)c(C(=O)COC(=O)[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(C)C)c1 12782433 IMHZDPKRLRIJKG-HXUWFJFHSA-N 478.885 3.446 5 40 JGBB O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14271336 AVGVIDHHCQPZJC-UHFFFAOYSA-N 469.567 3.154 5 40 JGBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(CCCOC(C)C)c2=N)cc1 101075676 FXUXRLNRDXVIQE-UHFFFAOYSA-N 466.563 3.085 5 40 JGBB COc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccco3)c2=N)cc1 101158282 VAUIYCJZXLVZCX-UHFFFAOYSA-N 469.501 3.017 5 40 JGBB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222940224 GMYRXMQVJPPCFI-FQEVSTJZSA-N 457.527 3.357 5 40 JGBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)N1CCC(C)CC1 408603720 GXYOXRBASXXBFY-FNORWQNLSA-N 458.471 3.002 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408684511 NPYSJOVAMCHOCG-UHFFFAOYSA-N 491.372 3.265 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2)n1C 409128131 DSKDMSUULRMNAX-AWEZNQCLSA-N 454.512 3.254 5 40 JGBB CCS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 9707946 VGVFCRABMPJRMY-UHFFFAOYSA-N 462.553 3.207 5 40 JGBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1 9740775 KHNUJVKZSOKJPJ-GOSISDBHSA-N 470.912 3.335 5 40 JGBB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)Nc1cccc([N+](=O)[O-])c1 33627443 MUPJMJKARVHJOV-UHFFFAOYSA-N 453.476 3.364 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408679812 FIXCUJNESDNYGF-LJHODMEESA-N 494.460 3.164 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 409140486 FMZJYRZYNFFHPJ-UHFFFAOYSA-N 486.462 3.346 5 40 JGBB CC(C)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 943322 CSGCZNBIKYWTQE-UHFFFAOYSA-N 453.451 3.423 5 40 JGBB C[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)cc2[N+](=O)[O-])C1 9715206 MMUNYOMKGDMYMR-KRWDZBQOSA-N 488.566 3.104 5 40 JGBB Cc1cc(N2CCN(c3ccc(S(=O)(=O)NC(C)(C)C)cc3[N+](=O)[O-])CC2)nc(C(C)C)n1 15117772 WBXPQJJAHWKPLR-UHFFFAOYSA-N 476.603 3.220 5 40 JGBB O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CC=C(c3c[nH]c4ncccc34)CC1)OCCCO2 32900112 GFVQOBZTIOYSHD-UHFFFAOYSA-N 456.480 3.110 5 40 JGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCOCc1ccccc1 223528360 SEGWIIDGBCVEFD-UHFFFAOYSA-N 469.519 3.123 5 40 JGBB Cc1ccccc1OCCNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O 224935993 KXZUXPZESGKGLW-UHFFFAOYSA-N 469.947 3.298 5 40 JGBB CC[C@@H](Sc1nnc(CNC(=O)c2cccc(C)c2)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 9095883 RJTDWTACKTYXKF-GOSISDBHSA-N 468.539 3.471 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1C 62647238 MUKPIAYFBMJJHU-INIZCTEOSA-N 480.974 3.199 5 40 JGBB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CC=CC[C@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] 408665195 OPBCJJOMOJOHKU-HBGVWJBISA-N 489.484 3.317 5 40 JGBB COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CC[C@H](C)C[C@@H]43)C2=O)cc1 102774257 VIQRCMMTSGIJPY-KVGGTASHSA-N 464.478 3.034 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408688458 WIIYOVULANAOPQ-UXHICEINSA-N 492.444 3.084 5 40 JGBB CC[C@H](C)N(C(=O)COc1ccc([N+](=O)[O-])cc1-c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 13114347 TUZCTCLDRNQQIT-QFBILLFUSA-N 476.551 3.463 5 40 JGBB NC(=O)c1ccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c([N+](=O)[O-])c1 15961682 PBBBYDPIAYHYSS-UHFFFAOYSA-N 484.456 3.280 5 40 JGBB COc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(OC)cc1Cl 22717911 COODOLULNUTNCX-UHFFFAOYSA-N 480.930 3.229 5 40 JGBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102086748 XZPDBALEIIYFAU-DWBHWTKOSA-N 457.486 3.198 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 138772851 DTFGILJKEXQMLT-CALCHBBNSA-N 452.423 3.236 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408651828 BIIOWXOGOQOVDM-RZTYQLBFSA-N 477.473 3.234 5 40 JGBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408655234 RGCWOJICYVRALL-CQSZACIVSA-N 488.412 3.428 5 40 JGBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cc2ccccc2oc1=O 1891940 IFDBFLHVBKLNOQ-UHFFFAOYSA-N 457.445 3.243 5 40 JGBB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2)C1 9373019 USRZSKGLCKEYSR-HOTGVXAUSA-N 460.508 3.301 5 40 JGBB COc1cc(NC(=O)COC(=O)COc2ccc(Br)cc2)c(C)cc1[N+](=O)[O-] 9545919 RXNGIUPOXIMKOD-UHFFFAOYSA-N 453.245 3.235 5 40 JGBB O=[N+]([O-])c1ccc(N2CCN(c3nc(Cl)nc4ccccc34)CC2)cc1N1CCOCC1 9720460 AGDQCTJHUZXGMG-UHFFFAOYSA-N 454.918 3.355 5 40 JGBB O=C(NC(=S)Nc1c(O)ccc2ccccc12)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22533316 AVTBFFYWBZLFQL-UHFFFAOYSA-N 452.492 3.417 5 40 JGBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H](c1ccc(F)cc1)N1CCOCC1 23409061 WYAOOXNQBVMTMV-IBGZPJMESA-N 470.423 3.354 5 40 JGBB CCCn1/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101093977 RXMUMTVKWPBFGP-QYQHSDTDSA-N 489.488 3.194 5 40 JGBB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c1 409124522 KTPWUNJZROZUOW-CQSZACIVSA-N 454.512 3.254 5 40 JGBB O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCCOc1cccc(Br)c1 3396876 QVCJQKFHZMEGFN-UHFFFAOYSA-N 457.664 3.363 5 40 JGBB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4ccc([N+](=O)[O-])cc4C)CC3)CC2=O)cc1 9426594 UZUODYDNDDIZOX-LJQANCHMSA-N 464.522 3.442 5 40 JGBB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O 138874803 VHKMJRNHAOPBBD-CYBMUJFWSA-N 461.858 3.100 5 40 JGBB CC1CCN(C(=O)[C@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 9467682 NYHOLZQLFMURNC-INIZCTEOSA-N 475.523 3.199 5 40 JGBB COc1ccc(NC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2Br)c([N+](=O)[O-])c1 11990311 PRMWUEJDXVPRNS-UHFFFAOYSA-N 499.270 3.187 5 40 JGBB O=C1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1 40399302 ZYXSFTKNEQZBSX-AWEZNQCLSA-N 454.830 3.140 5 40 JGBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 229633407 CKFQPTMUNIKVGX-BJESRGMDSA-N 466.453 3.356 5 40 JGBB O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 229873500 XLHBWNLYYZPSFT-ZDFPQIBNSA-N 455.426 3.461 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)cc1 408641240 CBWHJVWUVSATSH-KDURUIRLSA-N 467.865 3.440 5 40 JGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(F)cc1 408681718 IKVMXEORSJDJRB-IAGOWNOFSA-N 453.426 3.149 5 40 JGBB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)c1 9305597 MLHFZFCIMFFOGY-UHFFFAOYSA-N 454.512 3.001 5 40 JGBB COc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1Cl 22530983 FBELUXBZBNMOJP-UHFFFAOYSA-N 450.904 3.220 5 40 JGBB CC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260811079 NGMFREHKDHLYJX-AUUYWEPGSA-N 465.528 3.034 5 40 JGBB COc1cc(NC(=O)C2=C(C)N=C3N=CNN3[C@@H]2c2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl 408558818 WEVHVEFYDKTQGR-LJQANCHMSA-N 470.873 3.437 5 40 JGBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OC 408566382 NSDHYGVWHCXDET-PTMPUTRESA-N 476.327 3.425 5 40 JGBB CC(=O)Oc1cccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c1 409369580 PRMVLLNRNVOSRC-ZQFKLAOWSA-N 454.438 3.397 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@@H]3[C@@H]2C1=O 17969012 DXSAHCHJDKAGLU-YCAMKHIRSA-N 496.479 3.365 5 40 JGBB CC(C)COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 33655658 UXFVTURSANIMSM-UHFFFAOYSA-N 468.554 3.429 5 40 JGBB CC[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 224932474 VCBXWVAWSUDHIV-IBGZPJMESA-N 476.555 3.387 5 40 JGBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 408655833 RWCZZWLCPMWMIV-NDXORKPFSA-N 461.474 3.483 5 40 JGBB CS(=O)(=O)c1ccc(NCCNC(=O)c2ccc(-n3cnc4ccccc43)cc2)c([N+](=O)[O-])c1 9933011 JUJRBUNPAAJMMF-UHFFFAOYSA-N 479.518 3.179 5 40 JGBB COc1cccc(C(=O)NCCNC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 32752716 RCJCIFLWYYOBJC-UHFFFAOYSA-N 490.516 3.060 5 40 JGBB C[C@H](C(=O)NCCOc1cccc2ccccc12)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223562720 QRASUTMULBRVHZ-MRXNPFEDSA-N 457.508 3.098 5 40 JGBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)cc21 408530213 JRDULEGCFVVGAK-LSCVHKIXSA-N 486.893 3.358 5 40 JGBB CC1=CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)c3)C(=O)[C@H]2C1 408658480 JMROCPDPHIWHEW-SSKFGXFMSA-N 489.484 3.399 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2C)CC1=O 408668385 KVQSGQIMTATJQP-ZDUSSCGKSA-N 461.858 3.100 5 40 JGBB CCCCOc1ccc(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 103140224 BWRDWAGCVSNESM-ACESQOTJSA-N 488.500 3.371 5 40 JGBB O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 103587821 IXBAPRHXVWSYRR-PZJWPPBQSA-N 457.402 3.286 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408651171 NDHFHNKQLQQLMQ-WOJBJXKFSA-N 492.444 3.084 5 40 JGBB Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 408686529 RQEQBXRQFOXXEV-GOSISDBHSA-N 461.478 3.389 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1cccc(C)c1 101105714 NYLSFQSCHYCOMO-OLFWJLLRSA-N 488.544 3.220 5 40 JGBB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223277401 RVVLPMXOLNXTMO-INIZCTEOSA-N 461.490 3.455 5 40 JGBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 3323053 VLUITMQECUMOGG-UHFFFAOYSA-N 468.487 3.061 5 40 JGBB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)Nc1ccc([N+](=O)[O-])cc1Br 9876535 MDMADWCZAVBCDC-UHFFFAOYSA-N 482.092 3.412 5 40 JGBB Cc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)c(Cl)cc12 15115691 MRKDVVTZLULMCA-UHFFFAOYSA-N 480.882 3.476 5 40 JGBB Cc1ccc2nc3c(cc(C(=O)NCc4ccco4)c(=N)n3CCc3ccccc3)c(=O)n2c1 16742236 BJNSCCNQJAGRDR-UHFFFAOYSA-N 453.502 3.203 5 40 JGBB COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1OC 27033803 NIMVLNJNIADAQB-INIZCTEOSA-N 457.483 3.120 5 40 JGBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 58951823 KWPQRJPVWRTRRQ-UHFFFAOYSA-N 451.457 3.336 5 40 JGBB O=C(Cc1ccccc1)NN1C(=O)c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C1=O 95470757 JWOKHGSWCUPQGH-UHFFFAOYSA-N 454.236 3.380 5 40 JGBB C[C@H](C(=O)NCc1ccc(CN2CCCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224528981 DPEJLINFCQSBFN-GOSISDBHSA-N 474.583 3.052 5 40 JGBB CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225514795 MPPRYLKNEZMKJG-INIZCTEOSA-N 489.472 3.483 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408654936 CAYAHSIMBKPJEJ-VQPPSCEASA-N 477.473 3.400 5 40 JGBB O=C(CCC(=O)OCC(=O)Nc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1 408661089 DDJCISKIDTVSPM-UHFFFAOYSA-N 450.245 3.258 5 40 JGBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 409148141 YERVWRXNVWOWAB-DEDYPNTBSA-N 498.517 3.115 5 40 JGBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccncc1 8742634 DPSXPPAXLRFTCM-RCZVLFRGSA-N 467.485 3.356 5 40 JGBB biogenic O=[N+]([O-])c1cccc(-c2csc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)n2)c1 9137401 ZNIMKYYOYRVDJX-UHFFFAOYSA-N 488.547 3.000 5 40 JGBB COc1ccc(NC(=O)COc2ccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])cc2OC)cc1 9916606 OWNNTUNNHQGHAF-UHFFFAOYSA-N 494.504 3.471 5 40 JGBB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1=O 23953973 KNNSLMSABYTLTN-QHCPKHFHSA-N 451.483 3.087 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)CC1=O 408671012 RQFXTURLKNTFCB-NSHDSACASA-N 482.276 3.445 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)c3)C(=O)[C@H]2C1 408671232 YXDWLKQZFFNTIX-UAOJZALGSA-N 465.462 3.316 5 40 JGBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)cc2[N+](=O)[O-])C1 12591798 GVVZGWDNHIWMOW-GASCZTMLSA-N 467.478 3.448 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2N2CCCC2=O)CC1 12894563 YVSFDGHCAOFDFT-UHFFFAOYSA-N 486.550 3.069 5 40 JGBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)OCO2 20452000 WJFYAMCZXSPWIQ-UHFFFAOYSA-N 455.448 3.158 5 40 JGBB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)C2)cc1 32842246 AQSPEDMKHIYVFE-HNNXBMFYSA-N 481.958 3.316 5 40 JGBB Cc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3cccnc3)c2=N)cc1 101158601 ALSROPPEJMWMOA-UHFFFAOYSA-N 464.529 3.119 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1c3ccccc3C=NN1[C@H]2C(=O)Nc1ccccc1 9280889 BMHBAANJEBYHQF-UEQSERJNSA-N 495.495 3.421 5 40 JGBB Cc1ccc(-c2noc(CCCCCNC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)n2)cc1 9460016 DCWOAFIPQCRBJA-UHFFFAOYSA-N 465.466 3.390 5 40 JGBB Cc1ccc2nc3c(cc(C(=O)N[C@@H](C)c4ccccc4)c(=N)n3CCCn3ccnc3)c(=O)n2c1 100848270 JRJHMDNBTYHLDX-IBGZPJMESA-N 481.560 3.215 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1nnc(SCC(C)C)s1)S(C)(=O)=O 225859232 BPNXFGZGPPJJBP-LBPRGKRZSA-N 473.602 3.296 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408685395 PHKIIRAYONYATO-UXHICEINSA-N 492.444 3.084 5 40 JGBB CCCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c1 4125281 RCCPPAAPJIEFFJ-UHFFFAOYSA-N 454.527 3.183 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCCc1ccc(C(F)(F)F)cc1 9461249 WYQYTJZPBRCGMO-UHFFFAOYSA-N 459.446 3.289 5 40 JGBB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9962455 MFIVACULPCTYLQ-UGSOOPFHSA-N 483.930 3.122 5 40 JGBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCC(=O)Nc1c(C)cc(C)cc1C 12634463 QPPKUPWYMDCRFB-HNNXBMFYSA-N 463.512 3.146 5 40 JGBB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 22564326 IBHBOBVIQPJLLH-IZZDOVSWSA-N 457.537 3.344 5 40 JGBB O=C(COc1ccc2ccccc2c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 33595825 UGRCSIUZOWMUBT-UHFFFAOYSA-N 476.533 3.312 5 40 JGBB O=C(O[C@H]1[C@@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 77311777 VNTMIDIVOUQVNN-XLRMEXJBSA-N 493.468 3.399 5 40 JGBB in-vitro COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1 408664083 YRBZOLASTDBOCY-RZTYQLBFSA-N 491.500 3.429 5 40 JGBB Cc1ccc(S(=O)(=O)N(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)c2ccc(C(=O)O)cc2)cc1 3111421 ZEYJCHMZSQGHGF-FQEVSTJZSA-N 486.502 3.237 5 40 JGBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)n(CCOC)c2nc3ccccc3nc12 3191458 UJTTVINTBIWXKA-UHFFFAOYSA-N 453.411 3.161 5 40 JGBB O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3525308 DCUQMYXLGKVROT-UHFFFAOYSA-N 467.400 3.175 5 40 JGBB Cc1ccc(-c2csc(NC(=O)COC(=O)c3cc([N+](=O)[O-])ccc3NCCO)n2)cc1 9959936 GQTUBHIKWRNKEZ-UHFFFAOYSA-N 456.480 3.226 5 40 JGBB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 12436831 YRFSDQUPWNJDSA-RPCZKNTGSA-N 482.103 3.361 5 40 JGBB O=C(c1ccccc1Cc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 13008904 QKQZAPGUXMOYMB-UHFFFAOYSA-N 465.531 3.332 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)C1CCCCC1 103628293 QZUYPZHFCODASW-QYQHSDTDSA-N 450.539 3.490 5 40 JGBB COC(=O)c1cn(C(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c2ccccc12 222632732 OYANSQNEMRVRNN-CQSZACIVSA-N 459.480 3.139 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(F)cc1 408647518 JJYSTENWAOEWGQ-KDURUIRLSA-N 453.426 3.149 5 40 JGBB Cc1nn(Cc2ccc(C(=O)Nn3c(C)nc4sc5c(c4c3=O)CCCC5)o2)c(C)c1[N+](=O)[O-] 2780745 GHBVMMWYHXOBDM-UHFFFAOYSA-N 482.522 3.392 5 40 JGBB CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 8722408 JORROWXZQVCEPK-UHFFFAOYSA-N 486.955 3.422 5 40 JGBB O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20457086 DBYSKSAJKKFIPV-UHFFFAOYSA-N 482.518 3.311 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1ccc2ccccc2c1 31937063 BJWHXBGNGUISIY-JVCXMKTPSA-N 496.523 3.367 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Nc1ccn(CCc2ccccn2)n1 58224319 VTZOCIKZVAJJOR-UHFFFAOYSA-N 456.528 3.347 5 40 JGBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1OCc1ccccn1 98035366 XFQULFDAJMYJFS-WAYWQWQTSA-N 475.255 3.299 5 40 JGBB CN(c1cccc(Cl)c1)[C@H]1CC[C@@H](C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O 257295575 QYYXBUTXQKEUJK-UAOJZALGSA-N 481.958 3.109 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)c1 408690149 ZUMVWGZCCKOQJC-NHCUHLMSSA-N 477.473 3.185 5 40 JGBB O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1CCc1ccccc1 9267128 WQSIKLURSDAORR-BWKNWUBXSA-N 462.506 3.207 5 40 JGBB Cc1nnc(SCc2ccccc2)n1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9289097 BLBPNAQDADTQGW-UHFFFAOYSA-N 454.512 3.008 5 40 JGBB CCN1CCN([C@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 9808361 XIKKXFCHQTWDCM-QGZVFWFLSA-N 454.512 3.392 5 40 JGBB O=C1C[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 40399397 NUBGHBFODVFPAE-GFCCVEGCSA-N 454.830 3.140 5 40 JGBB O=C(COc1ccccc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 108255824 FGIYDUVMFJSUSN-UHFFFAOYSA-N 483.594 3.187 5 40 JGBB C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 3395139 WTQTZPOVSJAHKX-ZDUSSCGKSA-N 481.914 3.217 5 40 JGBB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 9591972 MMDGQDMYQZEJLU-JEOXALJRSA-N 450.373 3.408 5 40 JGBB COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)s2)cc1OC 16991902 JXZXZZNFFANSHX-UHFFFAOYSA-N 470.507 3.341 5 40 JGBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1[N+](=O)[O-] 408659129 VREGQCFJHOFYSI-AWEZNQCLSA-N 461.268 3.445 5 40 JGBB C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1=O 8635129 FQVUGZBJLUEBSG-GOSISDBHSA-N 481.690 3.416 5 40 JGBB COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8902628 IJIJJWLINSHUIQ-UHFFFAOYSA-N 495.355 3.329 5 40 JGBB O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 54278295 LZVZJOBSZAYBOL-UHFFFAOYSA-N 475.461 3.074 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1cccc(Cl)c1 100820881 MJEDJAHPOJAWOB-SLMZUGIISA-N 494.935 3.257 5 40 JGBB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 408559558 MLNKPDSOGFLUKY-UHFFFAOYSA-N 453.904 3.296 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 408682843 KAELXSBPUQLCQY-DJKXOVBDSA-N 464.434 3.258 5 40 JGBB CCn1c(SCC(=O)Nc2ccccn2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409145045 QXBYXTZVDKXOBH-IBGZPJMESA-N 483.554 3.459 5 40 JGBB O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9064690 VOEFQBCAXMMXDE-UHFFFAOYSA-N 455.540 3.158 5 40 JGBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1 223197318 OWAZLKHOGFXFCY-BJKOFHAPSA-N 492.605 3.475 5 40 JGBB COc1cc(OCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 224081950 ZQIVAFIAUNDFRC-HNNXBMFYSA-N 461.490 3.453 5 40 JGBB COc1cc(OC)cc(-c2nc(S/C(=C/c3cc([N+](=O)[O-])cc(OC)c3O)C(=O)O)n[nH]2)c1 408632282 IKJLVDARTRKDPR-FRKPEAEDSA-N 474.451 3.329 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3CC=C(C)C[C@H]3C2=O)c1 408690148 ZUMVWGZCCKOQJC-LEWJYISDSA-N 477.473 3.185 5 40 JGBB CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)OCC(=O)Nc1cccc2nsnc12 3432993 WKOVTXDATVERPW-KRWDZBQOSA-N 491.913 3.189 5 40 JGBB CC[C@@]1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)NCc4ccco4)n32)CO1 4295965 JJWASDPPNKOMHC-NRFANRHFSA-N 483.579 3.230 5 40 JGBB COc1cccc2cc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)c(=O)oc12 9597201 MOEHBCSGCPCZBR-UHFFFAOYSA-N 477.223 3.268 5 40 JGBB COc1cc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 12361799 YFZSLDQQZYPNTI-NRFANRHFSA-N 473.507 3.216 5 40 JGBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCCn1ccnc1 16042276 TZWXERXTGQRKCD-RCZVLFRGSA-N 484.516 3.048 5 40 JGBB biogenic Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)c1 23080638 XWUBNHAHPVLQRT-UHFFFAOYSA-N 486.594 3.349 5 40 JGBB CC[C@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222636312 RSERPILFQSZLCT-QGZVFWFLSA-N 489.506 3.230 5 40 JGBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408664092 NOXPXYIPPDIOHV-MAODMQOUSA-N 489.484 3.317 5 40 JGBB COc1cc([C@@H]2Nc3ccccc3C(=O)N2NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1OC 1441631 FCXQBWWIPLNUDL-OAQYLSRUSA-N 484.490 3.072 5 40 JGBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CC(=O)N(c2ccccc2F)C1 12768535 MRFCOCPSGWADKW-LBPRGKRZSA-N 490.494 3.015 5 40 JGBB O=C(c1cccc2c3c([nH]c12)CCCC3)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 24749144 ZWBCNPGUZMCUNG-UHFFFAOYSA-N 468.535 3.102 5 40 JGBB COc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3cccc(C)c3)n2C)c([N+](=O)[O-])c1 409131133 NHBLKNGZVIOCDY-CQSZACIVSA-N 484.538 3.262 5 40 JGBB O=C(NC(=S)Nc1ccccc1Br)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9064694 BVFDKZWYPKCDOX-UHFFFAOYSA-N 465.329 3.321 5 40 JGBB O=C(O)CN1C(=O)N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O 9259786 ZSQJUXBZUMTDDY-NTUHNPAUSA-N 451.313 3.383 5 40 JGBB O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9511191 GGRZFGBLJTWPJW-UHFFFAOYSA-N 464.356 3.278 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 13159104 WOKFVVLOLKEMAE-IYBDPMFKSA-N 490.534 3.332 5 40 JGBB Cc1ccc(NC(=O)CCNc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])nc1 62581000 FLRUZEJHKHUBNW-UHFFFAOYSA-N 461.544 3.304 5 40 JGBB Cn1ccnc1C(=O)c1ccc(NC2CCN(C(=O)c3ccccc3F)CC2)c([N+](=O)[O-])c1 69946450 VFDROSQEGRIXNP-UHFFFAOYSA-N 451.458 3.415 5 40 JGBB CC[C@H](C(=O)NCc1cccc(CN2CCCC2)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224632594 DCBHYUSCGQNCJH-JOCHJYFZSA-N 474.583 3.052 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408683161 KOIVIUDJAHXFAK-XAMWDVODSA-N 464.434 3.092 5 40 JGBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc([N+](=O)[O-])c1 409028107 HJDRLCXVVCIZIA-UHFFFAOYSA-N 456.436 3.337 5 40 JGBB COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C=C/c2cc([N+](=O)[O-])ccc2OC(F)F)c1 3196859 XKZNGXLXTMFBHZ-XBXARRHUSA-N 450.350 3.421 5 40 JGBB COc1ccc([C@@H](CNC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)N2CCCC2)cc1 9119771 JFQBYUFZZKZIAN-HXUWFJFHSA-N 482.566 3.450 5 40 JGBB O=[N+]([O-])c1ccc(-c2csc(N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)n2)cc1 9164737 DIGLRLWVEVCCBT-UHFFFAOYSA-N 488.547 3.000 5 40 JGBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1 9714621 VXAHMSURAJDYIJ-UHFFFAOYSA-N 475.914 3.343 5 40 JGBB COc1cc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc(OC)c1OC 10004263 ROOZYOTWGGJWGO-UHFFFAOYSA-N 494.957 3.111 5 40 JGBB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(CCCN1CCOCC1)C3=O 16806115 NCXVEXDTHMEIGS-JOCHJYFZSA-N 463.490 3.277 5 40 JGBB Cc1ccc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 48290573 QNOAEXPZHZUOHA-UHFFFAOYSA-N 457.505 3.018 5 40 JGBB Cc1ccc(Cn2c(=N)c(C(=O)NCc3ccc4c(c3)OCO4)cc3c(=O)n4ccccc4nc32)cc1 101091943 RYKXTCAFPCSSED-UHFFFAOYSA-N 493.523 3.144 5 40 JGBB COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 224202187 FZSJJGKYRXMBHC-GOSISDBHSA-N 457.527 3.480 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCOc1ccc2ccccc2c1)S(C)(=O)=O 260941165 RFFAPOMRROTLKU-QGZVFWFLSA-N 471.535 3.406 5 40 JGBB CCOC(=O)c1sc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C(=O)OCC)c1C 8901290 VWHSKBCQBDCAOV-UHFFFAOYSA-N 491.522 3.407 5 40 JGBB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@H]3c4ccccc4C=NN32)cc1 9428060 HTTAJJBTILUYAS-UEQSERJNSA-N 496.479 3.365 5 40 JGBB O=C(COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1 9579646 FPMLQUFGHLNQQW-VGOFMYFVSA-N 487.534 3.355 5 40 JGBB COC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC 13880919 GHLAYQCYHYKFGF-ZDLGFXPLSA-N 458.448 3.392 5 40 JGBB O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 16050336 XVGXZSMKRSAUPR-UHFFFAOYSA-N 467.525 3.017 5 40 JGBB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1O 96297352 AAXSHIZYBXAEFI-FKBYEOEOSA-N 461.430 3.360 5 40 JGBB Cc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3F)n2C)cc1[N+](=O)[O-] 108914871 QHSYDSLVLPCSHO-ZDUSSCGKSA-N 472.502 3.393 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408659673 MPBANKPQPMHUQA-RTBURBONSA-N 463.446 3.154 5 40 JGBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1 2660474 IQQLFVZIQQDWPB-UHFFFAOYSA-N 451.457 3.336 5 40 JGBB Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)c([N+](=O)[O-])cc1C 8888799 VLJOBOFVPJRFQC-FQEVSTJZSA-N 475.299 3.380 5 40 JGBB Cc1nc(-c2cccs2)sc1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 16144350 CGAOCXAXEVHCKL-UHFFFAOYSA-N 466.566 3.334 5 40 JGBB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] 19818481 HVYDRMDWDHCNMY-VQTJNVASSA-N 452.467 3.096 5 40 JGBB CCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(C)cc3)[nH]c(=O)c21 40400539 ZYABIFOOEXQSLX-OAHLLOKOSA-N 478.465 3.193 5 40 JGBB Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@H]43)C2=O)c1C 102783057 YCCGVXCMFMUAAV-NXUKGLDXSA-N 478.505 3.019 5 40 JGBB COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 224309110 VPDYRFUSKIVNKY-INIZCTEOSA-N 461.490 3.311 5 40 JGBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OC 408564738 FNXDFSHFZSKXNK-URVZTXAQSA-N 462.300 3.035 5 40 JGBB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)cc3)C(=O)[C@H]21 408655951 DSKOUYJHVOFAMK-BKMALILDSA-N 489.484 3.400 5 40 JGBB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408660948 ABKMUOQDCRWRGZ-UHFFFAOYSA-N 457.439 3.062 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1[N+](=O)[O-] 3373336 ZHKXBINXMAVMNP-UHFFFAOYSA-N 463.402 3.088 5 40 JGBB COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc(OC)c1OC 34863940 FIHNFWRGGVRQIG-LDADJPATSA-N 487.490 3.087 5 40 JGBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 44848430 QXMWFHGLXGPSMR-UHFFFAOYSA-N 453.542 3.101 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408689020 XPQORONMZNZDBP-MOPGFXCFSA-N 464.434 3.402 5 40 JGBB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)c([N+](=O)[O-])c1 8635124 JOCIFHHGJOCZAC-LJQANCHMSA-N 461.272 3.071 5 40 JGBB CCN(CC)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9492005 LPHJWVNNWIQQII-UHFFFAOYSA-N 455.920 3.321 5 40 JGBB CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 9630614 CJHZTIWMSNLBDZ-UHFFFAOYSA-N 489.506 3.012 5 40 JGBB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4ccc(F)c([N+](=O)[O-])c4)CC3)CC2=O)cc1 9668535 AYBBRJSUTYCAMV-QGZVFWFLSA-N 468.485 3.273 5 40 JGBB COc1ccccc1NC(=O)CC1=NC(=O)[C@@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])S1 12905465 DNXPBOOEEAKXCH-QGZVFWFLSA-N 456.480 3.310 5 40 JGBB CC(C)C[C@]1(C)NC(=O)N(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1=O 13097734 WXRYNDTVRVBWNG-IBGZPJMESA-N 457.453 3.050 5 40 JGBB CC(C)C[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13505151 UOJCJYRCQUWIPP-OAQYLSRUSA-N 479.541 3.268 5 40 JGBB Cc1ccc2nc3c(cc(C(=O)N[C@@H](C)c4ccccc4)c(=N)n3Cc3cccnc3)c(=O)n2c1 16750916 MPXKNGYNJYQCQO-SFHVURJKSA-N 464.529 3.371 5 40 JGBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCSc1ccccn1 20451990 DMCYIZTWIWENCO-UHFFFAOYSA-N 472.548 3.094 5 40 JGBB COc1ccccc1CN(C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 22429846 WUMGJZLNCJQOQW-UHFFFAOYSA-N 469.519 3.457 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCCOc2ccccc2)cc1)S(C)(=O)=O 224832807 SFDJVHMUHDXDLK-UHFFFAOYSA-N 499.545 3.378 5 40 JGBB CCOc1cc(Br)c([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC 408566116 MVIRKOYLKXBUNN-YLBKPBPJSA-N 476.327 3.425 5 40 JGBB O=c1c2ccccc2nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1CCCN1CCOCC1 21672498 LTDAYJQORDILOZ-UHFFFAOYSA-N 498.561 3.186 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(OCc2ccc(C(=O)N3CCCC3)cc2)c([N+](=O)[O-])c1 24707021 YQIOPURFCFTSDZ-UHFFFAOYSA-N 461.540 3.440 5 40 JGBB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 57315956 JDXNNHVWWHBBJO-XBXARRHUSA-N 458.902 3.439 5 40 JGBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225375356 BSEPWNOXPBDRIA-DLBZAZTESA-N 473.526 3.323 5 40 JGBB CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])N(CC(=O)OC)C2=S)cc1 409060808 YEWWOZHFSCXYLE-ZDLGFXPLSA-N 485.518 3.322 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 409241674 SUDHOFQBZVLQID-UHFFFAOYSA-N 469.519 3.442 5 40 JGBB CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409343389 GOQXZGKXGILZMX-UHFFFAOYSA-N 454.512 3.175 5 40 JGBB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 9064684 PRONEWGVPGJPHS-UHFFFAOYSA-N 471.539 3.297 5 40 JGBB NC(=O)c1c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2c1CCCC2 9064792 BQNYDQUZHANDRP-UHFFFAOYSA-N 473.580 3.361 5 40 JGBB Cc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c([N+](=O)[O-])n1 9662792 MOHPGEAGQZTSAI-UHFFFAOYSA-N 468.919 3.144 5 40 JGBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)n1 21113854 GLRVEWRNFKHZMT-UHFFFAOYSA-N 484.476 3.380 5 40 JGBB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 32994620 CMRZTKXOLNSTNI-CQSZACIVSA-N 461.496 3.181 5 40 JGBB O=C(COc1ccccc1[N+](=O)[O-])N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 34762498 CCJAQJYALCWBII-UHFFFAOYSA-N 469.498 3.221 5 40 JGBB 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JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408647512 JJURMGMBCPHNBX-IAGOWNOFSA-N 453.476 3.238 5 40 JGBB Cc1cnc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)s1 409129553 GWUNCSMMVULGMV-INIZCTEOSA-N 489.583 3.346 5 40 JGBB O=[N+]([O-])c1cccc(-c2nnc(O)c3c2[C@@H](c2cccc(Br)c2)n2nnnc2N3)c1 10296748 HEXHMPMYWBUERX-MRXNPFEDSA-N 467.243 3.201 5 40 JGBB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 408563754 XBFNTRQDSXCUSM-CYBMUJFWSA-N 453.904 3.296 5 40 JGBB CCOc1c(Br)cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC 408566833 PHMOABMQZGYQON-JBZDTAIVSA-N 476.327 3.378 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408651166 NDHFHNKQLQQLMQ-PMACEKPBSA-N 492.444 3.084 5 40 JGBB CCCc1nc(N2CCc3ccccc3C2)ncc1C(=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 585265951 ZUZBGKLSGFBFOG-UHFFFAOYSA-N 481.534 3.019 5 40 JGBB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1cccc([N+](=O)[O-])c1 9373305 DILKZPHHTQSSSU-UHFFFAOYSA-N 466.471 3.386 5 40 JGBB CN(C)CCCN(C(=O)c1ccc(S(C)(=O)=O)cc1)c1nc2ccc([N+](=O)[O-])cc2s1 9707948 KTXMMXNDYUSCNC-UHFFFAOYSA-N 462.553 3.207 5 40 JGBB O=C1N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 13303042 BDZZOBYCZZXJNK-LBTNJELSSA-N 475.326 3.300 5 40 JGBB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC 20005694 IXUKOTCXXPHWJV-HXUWFJFHSA-N 499.545 3.449 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 100820861 SRVIIQHEDAFPKO-QYQHSDTDSA-N 489.488 3.131 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(C)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408681669 IDBPMPTVDZAODE-QUCCMNQESA-N 461.474 3.485 5 40 JGBB Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3CCCN23)cc1 9109391 XMUPEQLYMANZPM-AFYVEPGGSA-N 453.882 3.392 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1cccc(C)c1 101177009 YKMROHNVACUVBR-RHBUKLTISA-N 486.528 3.054 5 40 JGBB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)cc3)C(=O)[C@@H]12 408655954 DSKOUYJHVOFAMK-SYMSJMEQSA-N 489.484 3.400 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)cc1 408689865 ZGDCOIYPPZTIIA-LYLBAIIYSA-N 477.473 3.041 5 40 JGBB O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(N2CCOCC2)cc1 409159839 AKUUTOGAICYKQI-CPNJWEJPSA-N 468.491 3.106 5 40 JGBB CCSc1nnc(NC(=O)[C@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)s1 223172264 BRUKHBNTAJKULG-LBPRGKRZSA-N 459.575 3.050 5 40 JGBB COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccc(OC)cc3)c2=N)cc1 13514122 ZAJLQKBCISPNKA-UHFFFAOYSA-N 495.539 3.124 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O 16001305 LUKHITMRTGBWBF-DOGKRZLPSA-N 480.908 3.296 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl 16682422 RJWKHNHKTTZRJP-BUDOKORBSA-N 499.932 3.066 5 40 JGBB O=C(N[C@H](N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 39029831 AWLFUXYCWBIUCE-SPKLELGKSA-N 485.755 3.302 5 40 JGBB biogenic Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3[C@@H]2C1=O 103562233 UHBWMFJLDKFMTC-NCYKPQTJSA-N 460.490 3.397 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1ccccc1CN1CCCCC1)S(C)(=O)=O 260902674 VBHWQLZUPVPSMX-LJQANCHMSA-N 488.610 3.360 5 40 JGBB O=C(Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408670452 SKKGRQNIUXRJPK-CVURWPNZSA-N 489.484 3.089 5 40 JGBB Cc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3)n2C)cc1[N+](=O)[O-] 409124222 ANJWQEXBXNPQAF-AWEZNQCLSA-N 454.512 3.254 5 40 JGBB Cc1ccc(F)c2c1N(C(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)CCC2 609426977 GPCLUHKSJAQBFP-MRXNPFEDSA-N 461.515 3.422 5 40 JGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2 8435253 BSGJRFHHWQLWOM-UHFFFAOYSA-N 469.475 3.200 5 40 JGBB C[C@H]1CCCN(S(=O)(=O)c2ccc(NCc3ccc(-n4cccn4)nc3)c([N+](=O)[O-])c2)C1 9316235 KVRCVVVULFDYJH-INIZCTEOSA-N 456.528 3.208 5 40 JGBB COc1ccc(-c2nnc(NC(=O)[C@@H](C)N(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)s2)cc1 225783026 ZMUHXUNZIQMODK-CYBMUJFWSA-N 491.551 3.224 5 40 JGBB CCOc1c(Br)cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC 408566835 PHMOABMQZGYQON-NQZBTDCJSA-N 476.327 3.378 5 40 JGBB Cc1ccc([C@@H](CCC(=O)O)N2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)cc1 408608150 MTCXOQJGVDLHDL-HXUWFJFHSA-N 456.455 3.175 5 40 JGBB O=C(NCCCCOc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 9112194 XHDIXJBJROGUQO-UHFFFAOYSA-N 496.973 3.123 5 40 JGBB C[C@@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCC(=O)NCc2ccco2)n31 9307420 BSALUVKYDSHOTG-LLVKDONJSA-N 453.553 3.113 5 40 JGBB O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9492862 ALVYFFUTFCUBMZ-UHFFFAOYSA-N 472.567 3.122 5 40 JGBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1=O 15236607 HYIGYQBNWURXQJ-SQJMNOBHSA-N 461.474 3.469 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(SC)cc1 16711761 SLVMWNQJQJUPCG-YMFQVDJJSA-N 495.582 3.428 5 40 JGBB Cc1ccccc1NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 89690553 CVDZWNLFWZDYOJ-UHFFFAOYSA-N 469.475 3.500 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)Cc1ccccc1 103628980 ZHLYEFAOTWCVFF-GNVQSUKOSA-N 482.496 3.137 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O 408688416 WGSAWSLFYNOHHY-ROUUACIJSA-N 452.423 3.236 5 40 JGBB COc1ccccc1NC(=O)COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1OC 409348590 PAVLKFAIPILCQJ-CSKARUKUSA-N 468.422 3.001 5 40 JGBB CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)N1C(=O)c2ccccc2C1=O 9562520 RAQCHLOCBKYGSR-SFHVURJKSA-N 493.394 3.416 5 40 JGBB COC[C@@H](C)NS(=O)(=O)c1ccc(Nc2cccc(I)c2)c([N+](=O)[O-])c1 9633004 FRPHFPUASNINMQ-LLVKDONJSA-N 491.307 3.256 5 40 JGBB COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4Cc5ccccc5[C@@H]43)C2=O)cc1 12420786 TXPZSXRWIJIRNS-GJZUVCINSA-N 484.468 3.490 5 40 JGBB CC1CCC(NS(=O)(=O)c2ccc(NC[C@@H](C(C)C)N3CCN(C)CC3)c([N+](=O)[O-])c2)CC1 12565111 NCQBFDWPUNRQIQ-XWEVFREBSA-N 481.663 3.136 5 40 JGBB COC(=O)c1c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 12565930 KMNKBASZDWWFDE-QGZVFWFLSA-N 472.548 3.363 5 40 JGBB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 28065660 LWUWPTNJHKMXPS-UHFFFAOYSA-N 467.309 3.449 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1cccc(OC)c1 101084465 MJQOSESNKMPAET-NFFVHWSESA-N 474.517 3.465 5 40 JGBB CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 409173207 HOACVHCCNWQKCG-UHFFFAOYSA-N 498.565 3.113 5 40 JGBB COC(=O)C[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604418690 JSNWTIXCPISDSA-HNNXBMFYSA-N 460.874 3.085 5 40 JGBB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc1 9404515 CMCGKXZECWWCBQ-UHFFFAOYSA-N 473.536 3.030 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)CC1=O 408639695 GYCZEJHUNZHCEE-INIZCTEOSA-N 455.467 3.408 5 40 JGBB O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 33483088 MMAOWPJTELNIHS-HSZRJFAPSA-N 498.536 3.420 5 40 JGBB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c2)N1 34688700 OAGMADWMPRUXJB-RBBKRZOGSA-N 461.478 3.106 5 40 JGBB biogenic CCn1cc(Nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[N+](=O)[O-])cn1 40139260 AFFZYMAWWZSYNJ-UHFFFAOYSA-N 497.537 3.153 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)ccc3O)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 108948729 HXARNDZAVTWKHG-PZDOZLBDSA-N 493.541 3.029 5 40 JGBB Cc1c(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cccc1[N+](=O)[O-] 229924323 OHWMQSUALPPHJK-YDLHNXBPSA-N 480.908 3.296 5 40 JGBB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408652024 NXQZMUCTCZVASE-DZOXSVECSA-N 461.474 3.255 5 40 JGBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(Cl)c(Cl)c1 408665280 DJNKEVIXAWXZJY-NSHDSACASA-N 452.250 3.436 5 40 JGBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccccc1F 409147757 VUKNBTLLOOEQBF-UHFFFAOYSA-N 458.475 3.006 5 40 JGBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 409344901 JXARQBSDRSNYFK-IDUWFGFVSA-N 457.420 3.007 5 40 JGBB COc1ccccc1N(C[C@@H](O)COc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 3111465 QUIOAWVCCJTAJN-GOSISDBHSA-N 458.492 3.239 5 40 JGBB O=C(Nc1cc(F)c(F)cc1[N+](=O)[O-])C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12868653 IXJPYCQQTSHYSL-UHFFFAOYSA-N 497.476 3.074 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 13057841 MLGKIGXHWHLECY-AWEZNQCLSA-N 472.450 3.298 5 40 JGBB COc1cc2ncn(CCCC(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)c(=O)c2cc1OC 32847978 JLLWUUMCNFHYNV-HNNXBMFYSA-N 454.483 3.322 5 40 JGBB O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 33483086 MMAOWPJTELNIHS-QHCPKHFHSA-N 498.536 3.420 5 40 JGBB CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 62577440 VCHCVPIIENJMRR-UHFFFAOYSA-N 478.570 3.486 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@H]2C)c1 89929762 YPGAGDKHLJGYGF-CQSZACIVSA-N 463.512 3.427 5 40 JGBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 102085056 FXGNXPCJFVEAFG-KLNNNFBISA-N 472.453 3.192 5 40 JGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 408681728 ILWFGGAKWWQABV-UHFFFAOYSA-N 474.385 3.039 5 40 JGBB CCOC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@H](O)c1cccc([N+](=O)[O-])c1 6547651 FTRZMFXBTZTFSI-DHIUTWEWSA-N 482.514 3.110 5 40 JGBB Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 8826464 KLVRJSVPOZJFKY-KRWDZBQOSA-N 493.520 3.177 5 40 JGBB CCN(C(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 9493145 XNRRXFMOTUYBAF-INIZCTEOSA-N 496.925 3.233 5 40 JGBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2)C1 12621190 USRZSKGLCKEYSR-IYBDPMFKSA-N 460.508 3.301 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1nnc(SC(C)C)s1)S(C)(=O)=O 225188456 LIPBLBGCMIAKAQ-UHFFFAOYSA-N 489.601 3.140 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)c2)c1 408655030 CMCBCKNBRUEEHM-KYNGSXCRSA-N 495.488 3.325 5 40 JGBB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c1 9372990 QTWIUGBMJNFAEA-UHFFFAOYSA-N 454.460 3.460 5 40 JGBB COc1ccc(N(CC(=O)NCCc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 22278907 CLTJCUBCPOUPJW-UHFFFAOYSA-N 499.545 3.166 5 40 JGBB CCCCn1/c(=N\C(=O)c2ccccc2[N+](=O)[O-])c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 100820843 MWFOBQBBWVEWCO-QYQHSDTDSA-N 489.488 3.275 5 40 JGBB COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O 138874911 VHKMJRNHAOPBBD-ZDUSSCGKSA-N 461.858 3.100 5 40 JGBB CCCSc1nnc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)s1 222785827 WDQWSQQOJMBINQ-UHFFFAOYSA-N 489.601 3.142 5 40 JGBB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ccc(F)cc1[N+](=O)[O-] 9127548 ZRCRVIGLTZUDRB-UHFFFAOYSA-N 499.476 3.281 5 40 JGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)nc12 10010608 FUGBMOYWKPGXNA-UHFFFAOYSA-N 459.440 3.210 5 40 JGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13681728 JXOGMHFPEYFIBH-OAQYLSRUSA-N 453.476 3.331 5 40 JGBB O=C(COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1)N1CCOCC1 106743098 QDMHWXNITYRYIV-MOSHPQCFSA-N 483.502 3.069 5 40 JGBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408664088 NOXPXYIPPDIOHV-HBGVWJBISA-N 489.484 3.317 5 40 JGBB O=c1/c(=C\c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)sc2nc3ccccc3n12 408758300 IOBCBDSVULOUAP-DEDYPNTBSA-N 479.495 3.133 5 40 JGBB O=C(NC(=S)Nc1c(O)ccc2ccccc12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14269605 DSFZGEFHYXKIBF-UHFFFAOYSA-N 452.492 3.417 5 40 JGBB Cc1onc(C(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1Cn1cc([N+](=O)[O-])cn1 22715695 WNLLDMVDIAXRMT-UHFFFAOYSA-N 479.324 3.401 5 40 JGBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)NC(=O)c1ccco1 57291885 VOYHYZGGPJGJCD-ZDUSSCGKSA-N 458.500 3.329 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)cc1[N+](=O)[O-] 408666050 SBPAMYOJMLLKAQ-OALUTQOASA-N 465.462 3.378 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(C)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408681670 IDBPMPTVDZAODE-UYAOXDASSA-N 461.474 3.485 5 40 JGBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1C[C@H](O)c1ccccc1 2122436 MIYPQWVHOVHLCA-NLJOTIRTSA-N 496.523 3.495 5 40 JGBB biogenic O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NC(c1ccccc1)c1ccccc1 9445125 AZDAKENPPLEZPM-UHFFFAOYSA-N 475.501 3.494 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 26115100 GWFYTJFKYKNVOM-UHFFFAOYSA-N 451.526 3.362 5 40 JGBB CCOC(=O)c1c(-c2ccccc2)nc2c(c1-c1ccccc1[N+](=O)[O-])c(=O)n(C)c(=O)n2C 26503499 DMKQRMWKDORMNO-UHFFFAOYSA-N 460.446 3.051 5 40 JGBB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCN(c3nc4sccn4c3[N+](=O)[O-])C2)C1 40149417 FDTOLERDNBVLJX-HUUCEWRRSA-N 478.575 3.036 5 40 JGBB CCOCCCNC(=O)c1c(N)n(-c2ccc(F)c([N+](=O)[O-])c2)c2nc3ccccc3nc12 1876309 RWUVUCUCZKDXKB-UHFFFAOYSA-N 452.446 3.360 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(Br)cc1F 9500071 NUSOIBHWAJTACX-UHFFFAOYSA-N 461.265 3.310 5 40 JGBB O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14271331 LVNABRCEIDCKPL-UHFFFAOYSA-N 455.540 3.158 5 40 JGBB CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@H]3c3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1 34859769 SISWGPNGEKKGDI-IBGZPJMESA-N 487.607 3.482 5 40 JGBB CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 408637158 GFZMWSGASPZLLK-GOSISDBHSA-N 468.462 3.331 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2C)CC1=O 408668384 KVQSGQIMTATJQP-CYBMUJFWSA-N 461.858 3.100 5 40 JGBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C 3455469 MUAAHSBWFXMCAF-MRXNPFEDSA-N 461.519 3.242 5 40 JGBB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4cc([N+](=O)[O-])ccc4C)CC3)CC2=O)cc1 9426602 FZQYVZPIVDUTDT-LJQANCHMSA-N 464.522 3.442 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 408648664 KAWCBVMTRBYMRW-BGYRXZFFSA-N 465.462 3.019 5 40 JGBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408664081 NOXPXYIPPDIOHV-CZAAIQMYSA-N 489.484 3.317 5 40 JGBB COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408673142 PVUSVYZNRLUJRS-KEQGGVEFSA-N 478.457 3.345 5 40 JGBB Cc1cc(C(=O)COC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1CC(F)(F)F 9395974 JZGZGTNFMODTIC-UHFFFAOYSA-N 455.389 3.121 5 40 JGBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1CCCN1CCOCC1 15838134 RRVRLWZBMXDZHC-NRFANRHFSA-N 467.453 3.108 5 40 JGBB O=C(Oc1cccc(N2C(=O)c3ccccc3C2=O)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408660061 LDIGWYANYZFTOI-OAHLLOKOSA-N 471.425 3.354 5 40 JGBB O=C(Oc1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408672517 VHJSTMVJEQFLSK-ONGXBYRLSA-N 477.473 3.233 5 40 JGBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 409179176 QFPYNQHRAHQAIH-UHFFFAOYSA-N 470.415 3.376 5 40 JGBB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1Cl 9138338 DDNATGMQAKTWLG-UHFFFAOYSA-N 460.295 3.175 5 40 JGBB COc1cc(CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C2CCCCC2)ccc1OCC(N)=O 22707538 TYCFUMKGGBKUCE-UHFFFAOYSA-N 471.510 3.451 5 40 JGBB CC[C@@H](C(=O)NCc1cccc(CN2CCCC2)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224632669 DUHGCSPGKDWWOM-QFIPXVFZSA-N 488.610 3.360 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)c1 408641013 CABHZDZWWZYYIL-GNSUPJDDSA-N 477.473 3.041 5 40 JGBB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1=O 2634189 FXMSBMRLCVFZEK-SFHVURJKSA-N 455.229 3.446 5 40 JGBB C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 3437927 HUPLWCDDGFQSHN-INIZCTEOSA-N 475.523 3.344 5 40 JGBB Cc1ccc(C)c(Cn2nnc3c(=O)[nH]c(C4CCN(C(=O)c5ccccc5[N+](=O)[O-])CC4)nc32)c1 4397343 BGIOSYKVQBRRKT-UHFFFAOYSA-N 487.520 3.108 5 40 JGBB O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9562332 FTDYXMKNZHOKRN-UHFFFAOYSA-N 467.887 3.016 5 40 JGBB O=C(Nc1ccc(I)cc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14272889 QOAJQWVGJBOSPB-UHFFFAOYSA-N 471.226 3.427 5 40 JGBB O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccccc1[N+](=O)[O-] 25136427 LLDLITPAIPQMDN-UHFFFAOYSA-N 489.550 3.274 5 40 JGBB CCc1ccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 224861881 JNPLDLRLRMYJHM-UHFFFAOYSA-N 463.556 3.207 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)c3)C(=O)[C@H]21 408661896 MDDZCPDAITWBIS-BTPZQINSSA-N 489.484 3.255 5 40 JGBB O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCC(=O)c1ccc(Br)s1 9284509 GPFUQOYOCDJEKY-UHFFFAOYSA-N 461.677 3.228 5 40 JGBB COc1ccc(NC(=O)CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 12521328 BTNZHEQZUOAJJD-UHFFFAOYSA-N 498.517 3.115 5 40 JGBB CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nn12 14273963 VTGJZULJBBFMKT-UHFFFAOYSA-N 481.563 3.436 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1cccc(C)c1C)S(C)(=O)=O 223958793 CPBHWWIIIJHUEY-UHFFFAOYSA-N 463.556 3.261 5 40 JGBB COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 224202126 FZSJJGKYRXMBHC-SFHVURJKSA-N 457.527 3.480 5 40 JGBB COC(=O)COc1c(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cccc1OC 408535339 VZCZJXUAUQMEEX-LICLKQGHSA-N 458.448 3.392 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 408644700 HHWSBGCLZLSVJG-MAMHMVEESA-N 485.496 3.196 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408688113 VTBMMNSUXKQQJB-OALUTQOASA-N 450.407 3.012 5 40 JGBB COC(=O)c1c(NC(=O)Cn2cc(Br)c([N+](=O)[O-])n2)sc2c1CC[C@@H](C)C2 2747222 DTJQGUOTHJOFAO-MRVPVSSYSA-N 457.306 3.165 5 40 JGBB CCOC(=O)c1sc(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)c(C(=O)OCC)c1C 8682556 OSNWMNWPKJCIJV-UHFFFAOYSA-N 452.489 3.242 5 40 JGBB Cc1c(NS(=O)(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 9703710 KSMCZJOKMJGICZ-UHFFFAOYSA-N 485.566 3.430 5 40 JGBB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 13109288 CAVXRFQYIZNJBX-NSHDSACASA-N 490.321 3.140 5 40 JGBB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)ccc2Cl)C[C@@H](C)O1 16044615 PSMCFCYEOMFEAO-OKILXGFUSA-N 468.915 3.403 5 40 JGBB C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 24528755 GUNHTDYJIXNGCI-IAGOWNOFSA-N 490.582 3.013 5 40 JGBB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 9512040 OITILMSAZCLBMW-UHFFFAOYSA-N 480.546 3.382 5 40 JGBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)SC(C(=O)OCC)=C(C)N2C 20442452 AYRAGLARFZVYOI-GOSISDBHSA-N 452.514 3.109 5 40 JGBB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 138809951 VQYCSSXRXHUHAJ-UHFFFAOYSA-N 471.466 3.452 5 40 JGBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408652027 NXQZMUCTCZVASE-WFUUAIFHSA-N 461.474 3.255 5 40 JGBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408662261 XNZOVFTVKZBZDT-RTBURBONSA-N 467.865 3.440 5 40 JGBB COC(=O)c1cc(C(=O)OCC(=O)Nc2ccc(C)cc2Br)cc([N+](=O)[O-])c1 3297802 HWQPOKDDNNXODR-UHFFFAOYSA-N 451.229 3.248 5 40 JGBB CCn1cc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(=O)c2ccc(C)nc21 9683224 BSIADVRPYDFKLY-LBPRGKRZSA-N 458.858 3.470 5 40 JGBB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 14570416 ZYNROAQSWLKGOL-UHFFFAOYSA-N 485.928 3.374 5 40 JGBB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1 24763423 PCBJTFFOEBRLDI-UHFFFAOYSA-N 483.462 3.238 5 40 JGBB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccnn1Cc1cccc2ccccc12 71800113 UXUSZYKPXUIIJL-UHFFFAOYSA-N 457.446 3.357 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 139125801 QYXFFDLDSQRTHL-QZTJIDSGSA-N 450.407 3.012 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(I)cc2)CC1=O 408640589 JMSUGCZDZQPWIQ-NSHDSACASA-N 481.246 3.200 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)cc2)c1 408654437 BOUZGSQWPNSSME-ZMYBRWDISA-N 495.488 3.325 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 408686582 RZYYEWQGFJJTSF-HEFCMCLBSA-N 464.434 3.258 5 40 JGBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1ccc(C)cc1 409331827 OIJLKIAJRNDVNL-POHAHGRESA-N 452.423 3.301 5 40 JGBB Cc1c(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)sc2nc3n(c(=O)c12)CCCCC3 11065392 NZDKXYDXJQAADK-UHFFFAOYSA-N 474.470 3.336 5 40 JGBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1OCc1ccccn1 13945544 XFQULFDAJMYJFS-AATRIKPKSA-N 475.255 3.299 5 40 JGBB COc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2)c([N+](=O)[O-])c1 20247718 NULRCLAZPYDSCA-UHFFFAOYSA-N 467.394 3.420 5 40 JGBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1cccc(F)c1 21149795 VLFSLUKXTWTDMB-KRWDZBQOSA-N 483.905 3.421 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]2C=CC=NN12 253487304 IEMYXSMWOYTNJU-HCXYKTFWSA-N 485.283 3.499 5 40 JGBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(C)cc1 409148926 UOBQBPOZXRLWGO-UHFFFAOYSA-N 454.512 3.175 5 40 JGBB CCOCCCN1CC(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 1884337 HKVIUPIQSODDBZ-QPPBQGQZSA-N 462.506 3.188 5 40 JGBB biogenic CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 8824358 OBWXCDPURBFRFE-FZKQIMNGSA-N 483.930 3.122 5 40 JGBB Cc1ccc([C@@H](CNc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])N2CCOCC2)o1 12568616 XXJOVAWFIBMSMW-VGOFRKELSA-N 492.598 3.402 5 40 JGBB COc1ccc(NC(=O)CN2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c([N+](=O)[O-])c1 12644390 VBIKPEKLYGRCMC-UHFFFAOYSA-N 485.585 3.274 5 40 JGBB C[C@H](NC(=O)COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 16043648 PGOHHLDAQGUKJI-HDDXYUSQSA-N 477.945 3.242 5 40 JGBB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 23556553 UWNJRLDLHUMRQM-QGZVFWFLSA-N 468.510 3.112 5 40 JGBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102086740 XZPDBALEIIYFAU-FNGVLVINSA-N 457.486 3.198 5 40 JGBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)NCc2ccc(C(=O)O)cc2)CC1 20153268 CQWCBOJIHCJCKP-UHFFFAOYSA-N 456.524 3.334 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)cc1 408676232 ANRJYBQJCNDGNW-GNSUPJDDSA-N 477.473 3.041 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1=O 409308015 VXGFIJWQRQCPAS-OYRHEFFESA-N 474.425 3.228 5 40 JGBB CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 9306261 VMLAEZSFKLHNRN-UHFFFAOYSA-N 486.529 3.357 5 40 JGBB C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 9319171 GUBIPGCMLHNXNI-CYBMUJFWSA-N 458.426 3.257 5 40 JGBB Cn1c(SCC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nnc1-c1ccccc1F 9441282 IJMBXYALIPPWLJ-UHFFFAOYSA-N 470.442 3.415 5 40 JGBB CC(C)[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(F)cc1 12556359 IQHDEBWIPOYUNQ-NRFANRHFSA-N 450.536 3.479 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@@H]2C)c1 89929763 YPGAGDKHLJGYGF-AWEZNQCLSA-N 463.512 3.427 5 40 JGBB CCCSc1nnc(NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)s1 225051577 WTXJAKJOJINCTJ-CYBMUJFWSA-N 473.602 3.440 5 40 JGBB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 408671816 UXMVIWMRJGEXRF-QGZVFWFLSA-N 469.494 3.263 5 40 JGBB O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408672584 VMGZMKMKXMMDTE-FJSPMQPASA-N 489.484 3.089 5 40 JGBB CN1CCN(S(=O)(=O)c2ccc(NCc3ccc(C(F)(F)F)cc3)c([N+](=O)[O-])c2)CC1 12740417 SHYDVTMGEKSDNS-UHFFFAOYSA-N 458.462 3.162 5 40 JGBB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223699450 VPZKMFBTOINACF-RTWAWAEBSA-N 451.508 3.316 5 40 JGBB CCOc1c(Br)cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC 408566832 PHMOABMQZGYQON-DRWCTHJISA-N 476.327 3.378 5 40 JGBB O=[N+]([O-])c1cc(NC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)ccc1F 16035400 GUAGGYZNVUDCEK-UHFFFAOYSA-N 474.923 3.217 5 40 JGBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)SC(C(=O)OCC)=C(C)N2C 20442457 AYRAGLARFZVYOI-SFHVURJKSA-N 452.514 3.109 5 40 JGBB O=C(Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1)c1ccco1 22754799 NMSDVKNBSGFHDW-UHFFFAOYSA-N 495.517 3.404 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 408687266 TZWUQJIATOIUEL-WNYOCNMUSA-N 464.434 3.258 5 40 JGBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 409143574 CSOAKGOWOTYNEA-UHFFFAOYSA-N 499.509 3.084 5 40 JGBB CN(C)[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccsc1 25331533 DSQCZYALLNTYMD-FQEVSTJZSA-N 474.564 3.490 5 40 JGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)cc1 408679392 DWJDCTNZCFXBBS-CALCHBBNSA-N 467.865 3.440 5 40 JGBB Cn1cc(NC(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)c(C(=O)NCc2ccco2)n1 2809232 VLMJRKGQFCCBES-UHFFFAOYSA-N 483.872 3.002 5 40 JGBB O=C(COC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1[N+](=O)[O-] 16044262 DABMYAFXMDYTPQ-UHFFFAOYSA-N 478.933 3.388 5 40 JGBB CC1=C[C@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2c2ccccc21 101488202 DRNYDDWCKMAVEX-KGZUAYNTSA-N 487.512 3.232 5 40 JGBB COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408674286 YZZAUILIWJXACR-KEQGGVEFSA-N 478.457 3.345 5 40 JGBB CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)cc1 409158195 SFWLNERRLRYWTO-HNNXBMFYSA-N 498.565 3.100 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 8691884 WKGMQAHAGOHZDK-UHFFFAOYSA-N 474.417 3.341 5 40 JGBB aggregator COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(OC)cc1Cl 9227143 AOGOXGRBMNYOBU-UHFFFAOYSA-N 483.930 3.305 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc1 11757757 JVXRTBCBTBFEQN-UHFFFAOYSA-N 476.580 3.371 5 40 JGBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(Cc4ccccc4F)c(=O)c3cc2c1=O 40399120 IZSNFYNQOCCXLH-UHFFFAOYSA-N 473.464 3.096 5 40 JGBB Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@H]43)C2=O)c(C)c1 102782713 LCICRFYDKGVTOL-VLARDLDMSA-N 478.505 3.019 5 40 JGBB O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 103534561 RSMMQWYWDHQFQF-WBADGQHESA-N 466.453 3.356 5 40 JGBB CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)c1O 409237342 IEWRWMKXVMLCOA-RQZCQDPDSA-N 473.463 3.383 5 40 JGBB Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3CCCN32)cc1 9510700 XMUPEQLYMANZPM-RSPOEFSDSA-N 453.882 3.392 5 40 JGBB Cc1ccc(O)c(-c2n[nH]c3c2[C@@H](c2cccc([N+](=O)[O-])c2)N(CCCN2CCOCC2)C3=O)c1 27795494 UNSRJQGUBWINIA-XMMPIXPASA-N 477.521 3.266 5 40 JGBB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c2)N1 34688698 OAGMADWMPRUXJB-IFMALSPDSA-N 461.478 3.106 5 40 JGBB biogenic C[C@@H](C(=O)NCc1ccc(CN2CCCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224528931 DPEJLINFCQSBFN-SFHVURJKSA-N 474.583 3.052 5 40 JGBB O=C(O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O 408595995 YMSHZURUKSVKOB-VIZOYTHASA-N 466.233 3.458 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)cc1 408678879 DPSJHKRHFZPPHD-LPTQZCDUSA-N 479.489 3.265 5 40 JGBB COc1ccc(N2C(O)=c3ccccc3=N[C@H]2c2ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c2)cc1 985531 YOQQJRLQRQDJJK-RUZDIDTESA-N 485.500 3.319 5 40 JGBB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9220723 DWHCJZKOHVANKD-UHFFFAOYSA-N 492.985 3.385 5 40 JGBB O=C(COC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccc([N+](=O)[O-])cc1 9372955 MGHNEKWSHIHKHH-UHFFFAOYSA-N 461.430 3.306 5 40 JGBB COc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1OC(F)F 9671980 UYCVUDSJNATWDT-UHFFFAOYSA-N 466.393 3.081 5 40 JGBB COc1cccc([C@H]2OCCn3c(-c4ccc(C)c([N+](=O)[O-])c4)c4c(=O)n(C)c(=O)n(C)c4c32)c1 15109223 XIFAUVDVCBZNHI-HSZRJFAPSA-N 476.489 3.051 5 40 JGBB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NSc3ccc([N+](=O)[O-])cc3)cc2)cc1 16428674 SXALNMWVTQGSBZ-UHFFFAOYSA-N 480.549 3.162 5 40 JGBB C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 32927324 YFCOLKNJOJURSQ-IAGOWNOFSA-N 450.499 3.351 5 40 JGBB CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 409027827 FNWUGWGPVBLVKY-UHFFFAOYSA-N 457.961 3.064 5 40 JGBB O=C(COc1ccc(C(=O)N2CCOCC2)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 8763708 VRSFWWKJPOYKTO-UHFFFAOYSA-N 453.373 3.104 5 40 JGBB Cc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 16637703 YRNOVXVJCLRFFF-UHFFFAOYSA-N 454.922 3.390 5 40 JGBB Cc1nn(Cc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCCO5)CC3)cc2)c(C)c1[N+](=O)[O-] 24179375 FTISOHYHEJJUQK-UHFFFAOYSA-N 491.548 3.186 5 40 JGBB COc1ccccc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 34782032 AVBJVNXIYCCCBS-UHFFFAOYSA-N 483.594 3.431 5 40 JGBB CCOc1cc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)cc([N+](=O)[O-])c1O 35579350 FOSFXGAXRZJFNE-IBGZPJMESA-N 466.454 3.227 5 40 JGBB COc1ccc(OC)c2c1CN(c1ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc1[N+](=O)[O-])C[C@H]2O 36007427 NDHVMOBDVGSPJZ-MGPUTAFESA-N 491.566 3.086 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1cccc(C(F)(F)F)c1)S(C)(=O)=O 223079419 ATDOVEQGCJTVLA-UHFFFAOYSA-N 489.472 3.485 5 40 JGBB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 14269637 AHQUTNWUTCMZOO-UHFFFAOYSA-N 457.556 3.404 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 15018588 LWMITAPCUBJHDQ-PZHBDVNGSA-N 493.541 3.105 5 40 JGBB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccc([N+](=O)[O-])c3C)co2)s1 15391427 JRDYEZJIWRLDKY-UHFFFAOYSA-N 462.465 3.178 5 40 JGBB O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCc1ccc(CN3CCCCC3)cc1)OCCCO2 32895731 YTUOEDUSQGFYRO-UHFFFAOYSA-N 461.540 3.221 5 40 JGBB CS(=O)(=O)N(CCCC(=O)NCC1(c2ccccc2)CCOCC1)c1cccc([N+](=O)[O-])c1 223131524 DCHVXENPDUHKNY-UHFFFAOYSA-N 475.567 3.006 5 40 JGBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OC 408565103 HRJXYVUXFNCINM-DRWCTHJISA-N 476.327 3.378 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(I)cc2)CC1=O 408640588 JMSUGCZDZQPWIQ-LLVKDONJSA-N 481.246 3.200 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 408682844 KAELXSBPUQLCQY-HEFCMCLBSA-N 464.434 3.258 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)cc1 9381058 ULNXBDMXLVOUPD-UHFFFAOYSA-N 476.580 3.371 5 40 JGBB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225417984 GESJPRXPNBPUJH-FQEVSTJZSA-N 473.526 3.324 5 40 JGBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1O 409359939 OMADNDLLLMFMMR-LZYBPNLTSA-N 459.392 3.136 5 40 JGBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 3518554 CEPDFPXJOMIOMT-UHFFFAOYSA-N 479.474 3.222 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccccc3)N3N=Cc4ccccc4[C@@H]3[C@@H]2C1=O 17860418 BMHBAANJEBYHQF-YCAMKHIRSA-N 495.495 3.421 5 40 JGBB CC1CCN(c2ccc(C(=O)NC(=S)Nc3ccc(O)c(C(=O)O)c3)cc2[N+](=O)[O-])CC1 20153111 KYDRIJUSLCANBV-UHFFFAOYSA-N 458.496 3.362 5 40 JGBB CNC(=O)[C@@H](Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-])c1ccccc1 40155589 MBFSOSBOMJJUKF-GRXDXKALSA-N 460.556 3.351 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408683641 LWBVGBHYOQKASA-UHFFFAOYSA-N 488.412 3.348 5 40 JGBB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)c1ccc([N+](=O)[O-])cc1 409358833 MHUMDWUBBGIHMD-FMQZQXMHSA-N 457.376 3.151 5 40 JGBB Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc12 914777 MKHGNXBHSLHUEJ-GOSISDBHSA-N 471.535 3.423 5 40 JGBB Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccc([N+](=O)[O-])c2)c1 9382010 IVQPIGCQZIZCSK-UHFFFAOYSA-N 464.507 3.052 5 40 JGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1nc(-c2ccc(F)c(F)c2)cs1 9466859 SAYDFIJNYHHARR-UHFFFAOYSA-N 478.433 3.196 5 40 JGBB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1OCC 12644641 ZOVFKROZZZWLNE-UHFFFAOYSA-N 493.538 3.194 5 40 JGBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1[N+](=O)[O-] 20464129 SYYYISVJFAHUOC-NARGUJOISA-N 480.908 3.296 5 40 JGBB Cc1nn(C)cc1-c1nn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(-c2cn(C)nc2C)c1Cl 36611620 OBDBSYACVPJKSV-UHFFFAOYSA-N 475.918 3.100 5 40 JGBB CS(=O)(=O)N(CCCC(=O)NCc1ccccc1CN1CCCCC1)c1cccc([N+](=O)[O-])c1 224847478 IZIDDHBVJOARQY-UHFFFAOYSA-N 488.610 3.443 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 408656480 SQMRHJPBKQCXFU-PMACEKPBSA-N 465.462 3.019 5 40 JGBB Cc1cc(C(=O)COC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)n1Cc1ccco1 2657576 SAHSXAXSFRKHNL-UHFFFAOYSA-N 479.445 3.067 5 40 JGBB O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 13038244 SOZZZZXUZSYKAI-SDNWHVSQSA-N 483.506 3.296 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1cccc(I)c1 89779437 JOSMIUQLOWUPBZ-UHFFFAOYSA-N 490.275 3.013 5 40 JGBB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 100738503 YRFSDQUPWNJDSA-UIHHKEIPSA-N 482.103 3.361 5 40 JGBB COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1c3ccccc3C(C)=C[C@H]21 103457740 RXMKFCDYQNGMFF-SSGKUCQKSA-N 475.501 3.090 5 40 JGBB O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCCC2)Nc1ccc([N+](=O)[O-])cc1 10186754 SLPNGDSSDHVWCW-UHFFFAOYSA-N 451.508 3.204 5 40 JGBB C[C@H](NC(=O)c1ccccc1NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccccc1 13115261 SWGFTLJWWAPIQC-INIZCTEOSA-N 471.473 3.434 5 40 JGBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O 32124965 YKMYXQWXBWAONU-WQRHYEAKSA-N 489.531 3.363 5 40 JGBB O=C(N[C@@H](N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 100749444 DKARRXHRHDLABI-PJFSTRORSA-N 485.755 3.302 5 40 JGBB COc1ccc(Cn2c(=N)c(S(=O)(=O)c3ccccc3)cc3c(=O)n4ccccc4nc32)cc1 100870198 PCJPZUPQJZRWQV-UHFFFAOYSA-N 472.526 3.018 5 40 JGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102086763 ZTOUCCVWYACNCQ-DWBHWTKOSA-N 457.486 3.198 5 40 JGBB CN1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 108273847 PFCSCIWMXVBXQE-UHFFFAOYSA-N 468.583 3.074 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)c1 408641014 CABHZDZWWZYYIL-QPJICYPMSA-N 477.473 3.041 5 40 JGBB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)c1 409135354 YRBVOSOYEPNLNB-CQSZACIVSA-N 454.512 3.254 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)c([N+](=O)[O-])c1 13129006 CLXUBYTVWOFFNC-UHFFFAOYSA-N 492.623 3.138 5 40 JGBB COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC 13504027 FGNNFUSQTFLVRC-QFIPXVFZSA-N 481.557 3.265 5 40 JGBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCC(F)(F)F 16694511 ZJLXKDGKANSIRN-UHFFFAOYSA-N 451.810 3.122 5 40 JGBB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 20005602 VJYRVJZAHHJIRP-HXUWFJFHSA-N 485.518 3.140 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N\C(=O)c1cccc(Cl)c1 31937132 CAPXSEJRHCMKTJ-SLMZUGIISA-N 494.935 3.175 5 40 JGBB CN(C)CCNC(=O)Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 36396897 DBMOINXEYHSULI-UHFFFAOYSA-N 456.546 3.014 5 40 JGBB C[C@@H](OC(=O)CCNC(=O)CCC(=O)c1cccs1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 49574817 QPTLVMCHVSIUDO-GFCCVEGCSA-N 481.914 3.349 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N/C(=O)c1ccccc1F 102471475 WHOOENNTIUVVKV-BYNJWEBRSA-N 492.507 3.051 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1nnc(SC(C)C)s1)S(C)(=O)=O 260770901 URHZDPCKGAMIGJ-LLVKDONJSA-N 459.575 3.048 5 40 JGBB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 3392488 UMEKINXMEMCKCO-UHFFFAOYSA-N 498.469 3.207 5 40 JGBB COc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(OC)c1OC 12571711 ZNJYEIKFEKDXKX-UHFFFAOYSA-N 469.244 3.179 5 40 JGBB CN1CCN(S(=O)(=O)c2ccc(Oc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CC1 12950001 QIHDXVGIMTZMKX-UHFFFAOYSA-N 490.416 3.250 5 40 JGBB CC[C@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225877263 PJGZOGVQHRFYBK-GFCCVEGCSA-N 489.601 3.139 5 40 JGBB Cc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] 9064497 YBLMHXNYQAEQEC-UHFFFAOYSA-N 463.903 3.302 5 40 JGBB C[C@@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCC(=O)Nc4nccs4)n32)C1 9307997 YMQIHUCKKQVFDX-SECBINFHSA-N 456.582 3.299 5 40 JGBB COc1cc(C(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)c([N+](=O)[O-])cc1OC 9569145 SRMWYZNSJFVFDA-UHFFFAOYSA-N 455.876 3.058 5 40 JGBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NCCO)c([N+](=O)[O-])c3)cc2)cc1 9613071 JXSVRMZAGRNZMM-UHFFFAOYSA-N 486.506 3.061 5 40 JGBB Cc1nn(Cc2c(C(=O)N3CC[C@H](C(F)(F)F)n4nccc43)noc2C)c(C)c1[N+](=O)[O-] 22535167 YKZIDTZRTZWCBI-CYBMUJFWSA-N 453.381 3.103 5 40 JGBB CSc1ccc(C(=O)c2ccccc2C(=O)NCCNC(=O)c2ccco2)cc1[N+](=O)[O-] 27143456 BNLUTNVTIOXFRY-UHFFFAOYSA-N 453.476 3.301 5 40 JGBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 57316399 HSEWJMCQAYKQSD-UHFFFAOYSA-N 469.567 3.416 5 40 JGBB CC[C@H](C(=O)NCc1ccc(CN2CCCC2)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224511725 RBUCWGWSIBOLJP-JOCHJYFZSA-N 488.610 3.360 5 40 JGBB COCCn1c(-c2cccc([N+](=O)[O-])c2)nc2oc3ccc(Br)cc3c(=O)c2c1=O 2444197 CVNPUFPGDAAIEO-UHFFFAOYSA-N 472.251 3.487 5 40 JGBB CN(C)c1ccc(S(=O)(=O)NCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 9713930 YJBMETZVLISINN-UHFFFAOYSA-N 496.589 3.278 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 13057838 MLGKIGXHWHLECY-CQSZACIVSA-N 472.450 3.298 5 40 JGBB C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 34857966 AFEZCONRBHTCHX-KRWDZBQOSA-N 468.535 3.082 5 40 JGBB Cc1cc(C)cc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@H]43)C2=O)c1 102780795 SQORGOSFASGLRC-ZCRMCLKNSA-N 478.505 3.019 5 40 JGBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccco4)cc3)CC2=O)cc1[N+](=O)[O-] 408666041 ZWPNWJGNROAAGK-KRWDZBQOSA-N 492.440 3.494 5 40 JGBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(=O)OC)cc1 2436719 OWUMEBLLIJKEKR-UHFFFAOYSA-N 457.490 3.497 5 40 JGBB O=C(O)c1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1 9281312 CKVUZFWTUJPATH-QHAWAJNXSA-N 459.414 3.344 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 408572592 KWGJNDDEVCEKFR-UHFFFAOYSA-N 462.300 3.496 5 40 JGBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])s1 9562922 RKXHGAMORGAITR-UHFFFAOYSA-N 479.511 3.086 5 40 JGBB COC(=O)c1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1N1CCOCC1 9906141 DWZHQYXJCGYERA-UHFFFAOYSA-N 454.483 3.071 5 40 JGBB O=C(CNC(=O)c1cccs1)NCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 10000233 VZOPLXMDYUJVAL-UHFFFAOYSA-N 469.475 3.038 5 40 JGBB COc1cc(OC)c(C2=CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)c(OC)c1 26003072 FYHYQWMQZWDGPW-UHFFFAOYSA-N 456.451 3.321 5 40 JGBB COc1ccc(S(=O)(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1[N+](=O)[O-] 32876318 WFCIGLNSJYHCPG-UHFFFAOYSA-N 460.508 3.391 5 40 JGBB Cc1c(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@H]3C2=O)cccc1[N+](=O)[O-] 138079956 OHWMQSUALPPHJK-IPRDPGLQSA-N 480.908 3.296 5 40 JGBB CCOC(=O)c1sc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C(=O)OCC)c1C 409060742 XJZYRYSAXPUEBV-UHFFFAOYSA-N 456.498 3.427 5 40 JGBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cc(F)ccc1C 409125763 FDRFGMKRXVTADU-UHFFFAOYSA-N 472.502 3.315 5 40 JGBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1cccnc1Cl 8881749 RGOVGBGGKBKMDP-MRXNPFEDSA-N 469.281 3.233 5 40 JGBB CCCCCn1c(=N)c(C(=O)NCCc2ccc(OC)cc2)cc2c(=O)n3ccccc3nc21 101127977 NDQQJWPDPDXEDI-UHFFFAOYSA-N 459.550 3.300 5 40 JGBB O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1SC(F)F 10309404 QTDUHVUZPLEDCB-UHFFFAOYSA-N 473.841 3.475 5 40 JGBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1[N+](=O)[O-] 408666235 XRINAJFZYPXWNZ-UHFFFAOYSA-N 471.466 3.369 5 40 JGBB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 32635861 OYYVBVGFRLNTER-UHFFFAOYSA-N 462.462 3.287 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(C)c(C)c3)CC2)c([N+](=O)[O-])c1 408575218 SYSFJQPJVSSGTI-UHFFFAOYSA-N 470.551 3.225 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408678115 CPAAHHBVVBAOKD-QZTJIDSGSA-N 450.407 3.012 5 40 JGBB COc1ccc(C(=S)N2CCOCC2)cc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 8670212 WRVRXSXUPNJCAC-UHFFFAOYSA-N 461.452 3.047 5 40 JGBB COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 8750771 UTJKCSGGLTYQRE-UHFFFAOYSA-N 483.930 3.367 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2)CC1 8774912 MIARGMZUGISONA-OAHLLOKOSA-N 493.513 3.013 5 40 JGBB COc1ccc(OCCOC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 9957703 NVJZPFIBOYHQBQ-UHFFFAOYSA-N 498.941 3.280 5 40 JGBB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CN2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 12553028 LMGKEJXYWWFNGO-UHFFFAOYSA-N 473.961 3.084 5 40 JGBB COc1ccc(CCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1OC 12775049 WKCHQHRPMQRQJZ-UHFFFAOYSA-N 477.520 3.473 5 40 JGBB Cc1nc(CN2CCN(c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[N+](=O)[O-])CC2)cs1 22225773 CONVIHWJVGCMNY-UHFFFAOYSA-N 479.628 3.103 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23381255 DBWMZCGWGGEDIV-UHFFFAOYSA-N 485.488 3.120 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCN(Cc2cccc(O)c2)CC1 58213072 JCBZKPGQKFZKBX-UHFFFAOYSA-N 474.583 3.187 5 40 JGBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OC 408566385 NSDHYGVWHCXDET-ZEDFQPKGSA-N 476.327 3.425 5 40 JGBB CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 408637192 HCJBWVLYYVNCOR-GOSISDBHSA-N 468.462 3.331 5 40 JGBB CCOC(=O)CN(C(=O)CSc1nnc(C)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 6089303 UTSYFIDSBNGQSB-UHFFFAOYSA-N 455.496 3.172 5 40 JGBB CC(C)COc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NCCCC(=O)O)cc1 6134887 XIUWCNDYBUHLID-KGENOOAVSA-N 469.494 3.382 5 40 JGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)NCc1ccc2c(c1)OCO2 8826298 KEHHDRRBCHNRGJ-UHFFFAOYSA-N 463.446 3.409 5 40 JGBB O=C(NC[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)c1ccc(Cl)cc1Cl 137695763 KGKISOOXXVBSEF-VDVULAQNSA-N 488.283 3.145 5 40 JGBB COc1cc(OCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 225691049 NKOWHUDMUWEHMD-MRXNPFEDSA-N 461.490 3.311 5 40 JGBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 408606140 OQENRBZIYHUPCD-VQHVLOKHSA-N 497.420 3.291 5 40 JGBB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)c([N+](=O)[O-])c1 409369799 YDPMOWDLBLBLLH-YCIYHOANSA-N 471.425 3.388 5 40 JGBB CCOC(=O)c1cc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc(C(=O)OCC)c1 9318209 OAMPWISKEASZGZ-UHFFFAOYSA-N 494.460 3.055 5 40 JGBB Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12517233 RLXCEQQAJGAHNX-UHFFFAOYSA-N 480.352 3.087 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 139125683 QYXFFDLDSQRTHL-ROUUACIJSA-N 450.407 3.012 5 40 JGBB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409188329 GPZMWVCXADIUHM-OVCLIPMQSA-N 462.256 3.467 5 40 JGBB Cc1c(OCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)ccc2c1oc(=O)c1ccccc12 8876976 WFOPTRUMUYHDTG-MSOLQXFVSA-N 456.498 3.441 5 40 JGBB biogenic C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 408647463 JGZBEZSQJLXTOY-YVBPJFCQSA-N 485.496 3.277 5 40 JGBB CCOC(=O)c1cc(C(=O)OCC(=O)Nc2ccc(N3CCCC3)cc2C)cc([N+](=O)[O-])c1 19061523 WHAQOJOIZSZATH-UHFFFAOYSA-N 455.467 3.476 5 40 JGBB CCCCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C=CC=NN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 9331095 BWRDWAGCVSNESM-AFXVXQJMSA-N 488.500 3.371 5 40 JGBB O=C(c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1)N1CCN(c2ccc(F)cc2)CC1 9540006 SCDMARQITKKNPD-UHFFFAOYSA-N 484.509 3.497 5 40 JGBB Cc1c(N2C(=O)[C@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cccc1[N+](=O)[O-] 35843337 OHWMQSUALPPHJK-XMODTWTHSA-N 480.908 3.296 5 40 JGBB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])CC1=O 408668892 VTVABTJNORHEHF-KRWDZBQOSA-N 469.494 3.263 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408676599 AYBBTDCOASZOGB-UHFFFAOYSA-N 491.372 3.265 5 40 JGBB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 408713600 JCCXTGVPLODISA-AWEZNQCLSA-N 451.476 3.090 5 40 JGBB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 10031137 BPPPLOBBIFWSAE-UHFFFAOYSA-N 472.807 3.094 5 40 JGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCCN1CCCCCC1 10111142 BIMTYVUZXTZETJ-UHFFFAOYSA-N 474.583 3.172 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)cc1 15934887 DEJMNCHQRICWLY-UHFFFAOYSA-N 472.567 3.040 5 40 JGBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408653897 QCBJRCYXKHNJKP-OALUTQOASA-N 467.865 3.440 5 40 JGBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)cc1 408664079 YRBZOLASTDBOCY-FRMGNDQPSA-N 491.500 3.429 5 40 JGBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1[N+](=O)[O-] 409371335 ICEOXVMOMYYACN-QQNJPBSNSA-N 499.435 3.305 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[nH]2)CC1 1324483 KNGWDEQLUDJHMN-UHFFFAOYSA-N 493.911 3.144 5 40 JGBB COc1cc(C(=O)OCC(=O)Nc2ccc(I)cc2)c([N+](=O)[O-])cc1OC 3412826 BNIXVBWDNMHISZ-UHFFFAOYSA-N 486.218 3.012 5 40 JGBB CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C)c1ccccc1 6546431 RVGGEKMRNLWYEN-UHFFFAOYSA-N 455.496 3.079 5 40 JGBB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 32895459 KSVZWPZIJVXVDI-UHFFFAOYSA-N 467.931 3.229 5 40 JGBB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225451581 UQHUXVBZDMUNGZ-ROUUACIJSA-N 457.527 3.357 5 40 JGBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408653971 QGTFEVPONQAXOR-IWQDNSMASA-N 489.484 3.039 5 40 JGBB COC(=O)c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1 409374437 PPSJALQJIWLXSL-YPHDTHBOSA-N 454.438 3.258 5 40 JGBB COc1ccccc1CNC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 15653202 NMZVBNBTXOZEGM-INIZCTEOSA-N 451.932 3.425 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N/C(=O)c1ccc(F)cc1 102919085 JIQCMNBBQRHDDF-BYNJWEBRSA-N 492.507 3.051 5 40 JGBB O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 103562066 TVQXIVJSTFMHRN-CWBXHPNXSA-N 484.443 3.495 5 40 JGBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1 408669419 VZBJAJJZGOHYFO-OALUTQOASA-N 451.435 3.070 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408678838 DLKMFRHXTONONT-CALCHBBNSA-N 450.407 3.012 5 40 JGBB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 19818333 FVWZIGVTMJYACI-UXHICEINSA-N 452.467 3.096 5 40 JGBB CC[C@H](C(=O)NCCOc1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224037303 DBJNLOKIAJRJFT-LJQANCHMSA-N 463.556 3.260 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccc(C(C)(C)C)cc1)S(C)(=O)=O 224059144 VRXSLQUJUADHNZ-UHFFFAOYSA-N 463.556 3.162 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)c1 408667518 UGWMEURVBGGGNV-QZTJIDSGSA-N 481.461 3.079 5 40 JGBB O=C1C(c2cccc(C3=[N+]([O-])c4cc([N+](=O)[O-])ccc4C3=O)c2)=[N+]([O-])c2cc([N+](=O)[O-])ccc21 4265834 MSNBGBHWNOGCEE-UHFFFAOYSA-N 458.342 3.158 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSCc1ccc(Cl)cc1)S(C)(=O)=O 10434174 VPZGENMJQQEMPS-UHFFFAOYSA-N 471.988 3.372 5 40 JGBB Cc1ccc([C@H](OC[C@H](O)CN[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 13098044 DJKJEDRVBXWITK-KEVKATSASA-N 466.534 3.054 5 40 JGBB COc1ccc(Cl)cc1N(CC(=O)NC1CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 13151707 AJHJPRNMPDPTLJ-UHFFFAOYSA-N 453.904 3.039 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408687977 VJZGNWNTZAMXBY-FEBSWUBLSA-N 464.434 3.092 5 40 JGBB O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)Nc1cnn(COc2ccc(Br)cc2)c1 2732270 BEPPTLFXCQMAPV-UHFFFAOYSA-N 469.683 3.469 5 40 JGBB COc1ccc(Cl)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22530979 RNLMHXHWHQOWSP-UHFFFAOYSA-N 450.904 3.220 5 40 JGBB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223699531 VPZKMFBTOINACF-NHCUHLMSSA-N 451.508 3.316 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)c1 408645211 HTJKRTCRFLFSKF-IWMITWMQSA-N 479.489 3.265 5 40 JGBB O=C(Oc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408667006 PUGQGIRGJWEJMY-ONGXBYRLSA-N 477.473 3.233 5 40 JGBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc(C)c1C 409136185 UGJRCVMLWAYDEQ-UHFFFAOYSA-N 468.539 3.484 5 40 JGBB Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccc(COc2ccc(I)cc2)o1 2794808 NWBODJHHBOOHQJ-UHFFFAOYSA-N 496.261 3.306 5 40 JGBB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c(OC)c1 15654620 NTCXFRYRSGELPW-UHFFFAOYSA-N 483.930 3.305 5 40 JGBB COc1cc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c([N+](=O)[O-])c(OC)c1OC 31493299 NGTDWTVTLKIWHF-UHFFFAOYSA-N 484.431 3.387 5 40 JGBB CC[C@H](C)Oc1c(OC)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1[N+](=O)[O-] 107648415 VADXMECHCPTEBK-IYVNWDGISA-N 473.438 3.253 5 40 JGBB CC[C@@H](Sc1nnc(CNC(=O)c2ccccc2F)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 9583150 OIVXGOHTHIKIFG-QGZVFWFLSA-N 472.502 3.302 5 40 JGBB O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 12529215 ACZDHPYUJQUGAQ-UHFFFAOYSA-N 493.881 3.115 5 40 JGBB COc1cc(CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC 25386678 PFYUEJDGQGGCTP-NSHDSACASA-N 452.847 3.387 5 40 JGBB O=C1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 40399402 ZDKAZQGUOFWFMN-AWEZNQCLSA-N 454.830 3.140 5 40 JGBB CCCCCn1c(=N)c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c(=O)n3ccccc3nc21 101035863 XPWQQSIPICVJNA-UHFFFAOYSA-N 489.576 3.309 5 40 JGBB CCCCOc1ccc(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 253486979 BWRDWAGCVSNESM-LDVJMBRRSA-N 488.500 3.371 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(C)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408681667 IDBPMPTVDZAODE-AZUAARDMSA-N 461.474 3.485 5 40 JGBB Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(Cl)cc1 409147830 NSYAVTWSVAWRGP-UHFFFAOYSA-N 460.903 3.038 5 40 JGBB Cc1ccc(-c2noc(CN3CCN(c4ccc(C(=O)NC(C)C)cc4[N+](=O)[O-])CC3)n2)cc1 32888434 WIANBULYXMHZFK-UHFFFAOYSA-N 464.526 3.414 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 100880834 DXSAHCHJDKAGLU-KEZOAJOQSA-N 496.479 3.365 5 40 JGBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225240256 HTPUUAPWMTXSJM-JKSUJKDBSA-N 461.490 3.453 5 40 JGBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2nccs2)n1C 409139449 AKBAUGMQAVOVJQ-OAHLLOKOSA-N 475.556 3.038 5 40 JGBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(I)cc1 8902364 LONKZJXPSXBXER-UHFFFAOYSA-N 453.236 3.288 5 40 JGBB O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)OCc1cc(=O)n2c3c(sc2n1)CCCC3 9960072 HZZQSAFEDKRILF-AATRIKPKSA-N 455.448 3.028 5 40 JGBB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] 15545988 KFUCOMMTSZWDEN-FQEVSTJZSA-N 458.902 3.467 5 40 JGBB C[C@@H](OC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCc2ccccc21 16319128 OSLGKUZHNGTKFO-IIBYNOLFSA-N 453.495 3.171 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(Cc3cc(C)ccc3OC)CC2)c([N+](=O)[O-])c1 57362877 BBHNYNNRGWUPMN-UHFFFAOYSA-N 476.599 3.265 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)c1 408645210 HTJKRTCRFLFSKF-IPHXSNPTSA-N 479.489 3.265 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408685989 QUBXRTXBGZXEBN-LJHODMEESA-N 466.450 3.482 5 40 JGBB COc1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 3223930 OHCCMMHCIRPDDV-UHFFFAOYSA-N 490.428 3.455 5 40 JGBB CN1CCN(CCNc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 36420006 UIIKLLXDSWSCCG-QFIPXVFZSA-N 475.615 3.072 5 40 JGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(F)cc1 408683128 KLFHOLKRJLJTEW-UHFFFAOYSA-N 492.375 3.178 5 40 JGBB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409067057 JAPPGAOPWZIPDU-UHFFFAOYSA-N 454.512 3.175 5 40 JGBB CN(C)CCN(C(=O)CCCS(=O)(=O)c1ccc(F)cc1)c1nc2ccc([N+](=O)[O-])cc2s1 10218839 VDWLUBMBVUBZAG-UHFFFAOYSA-N 494.570 3.492 5 40 JGBB O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 40071203 RZFRMWVABKWKMM-UHFFFAOYSA-N 483.838 3.342 5 40 JGBB COc1ccc(CCn2c(=N)c(C(=O)NCc3ccccc3)cc3c(=O)n4ccccc4nc32)cc1 101049802 VRVHZCNYDBAXAF-UHFFFAOYSA-N 479.540 3.310 5 40 JGBB CC[C@@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223618544 SEZUVKPDTPJFNY-SFHVURJKSA-N 463.556 3.286 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408686308 RMMPELLCXWSKEK-KYJSFNMBSA-N 466.450 3.482 5 40 JGBB O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1CCc1ccccc1 9267126 WQSIKLURSDAORR-PXDATVDWSA-N 462.506 3.207 5 40 JGBB O=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)C(=O)Nc1ccc([N+](=O)[O-])cc1 9569059 XQACCJPOLPSHMH-UHFFFAOYSA-N 470.898 3.317 5 40 JGBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9971949 WCNFLHCQJKAMGE-UHFFFAOYSA-N 478.380 3.172 5 40 JGBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccncc2)[C@@H](c2cccc([N+](=O)[O-])c2)CN1C 13593450 ONSLGYPPXYOJSG-RZTXVSJASA-N 458.474 3.374 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 17861253 HMJKQXLXNKINFL-UHFFFAOYSA-N 463.943 3.274 5 40 JGBB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 408547837 AFFZWQSXJRYCHA-CXUHLZMHSA-N 490.266 3.002 5 40 JGBB CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] 9315425 MRHASCWVLIUTNO-AWEZNQCLSA-N 470.507 3.299 5 40 JGBB COc1cc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc(OC)c1OC 12491934 JZDLYUWIPNFVHY-UHFFFAOYSA-N 473.511 3.455 5 40 JGBB Cc1cc(S(=O)(=O)N2CCN(/C=C/c3ccc([N+](=O)[O-])o3)CC2)ccc1Br 24528026 PYBATDHUIXIXBI-VOTSOKGWSA-N 456.318 3.236 5 40 JGBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCc3cccnc3-n3cccn3)c([N+](=O)[O-])c2)C1 24660900 ZPKADZPYMWIJCL-MRXNPFEDSA-N 456.528 3.208 5 40 JGBB COC(=O)Cn1/c(=N/C(=O)c2ccccc2Br)sc2cc([N+](=O)[O-])ccc21 100876517 LWAFZRMTZQYWFR-ZPHPHTNESA-N 450.270 3.288 5 40 JGBB Cc1c(N2C(=O)[C@@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cccc1[N+](=O)[O-] 104045969 OHWMQSUALPPHJK-FLFXDLLNSA-N 480.908 3.296 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(Br)cc2)CC1=O 408646908 JBRKEDAWNDTHBE-ZDUSSCGKSA-N 477.267 3.145 5 40 JGBB COc1cc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl 9409845 KLDIKUPWJWZVTJ-SFHVURJKSA-N 471.861 3.180 5 40 JGBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 32882539 ZZGGTESCABSWIQ-PKOBYXMFSA-N 479.942 3.038 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 101173275 STLFNNVSFNKKAV-QYQHSDTDSA-N 489.488 3.365 5 40 JGBB CC1=C[C@@H]2[C@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2c2ccccc21 103461761 DRNYDDWCKMAVEX-UZZNCIHVSA-N 487.512 3.232 5 40 JGBB COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=NN32)cc1 103531595 HTTAJJBTILUYAS-OLKYXYMISA-N 496.479 3.365 5 40 JGBB COc1cc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(C)cc1[N+](=O)[O-] 9597122 KWMGSOWPPFWXCC-IBGZPJMESA-N 483.477 3.104 5 40 JGBB COc1cc([C@@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC 15277464 TYDKDOYVYFEFMJ-OAQYLSRUSA-N 493.432 3.432 5 40 JGBB COc1ccc(C(=O)Nc2cc(Br)ccc2Sc2nnnn2C)cc1[N+](=O)[O-] 62588316 VBDHHGUWMGIXCI-UHFFFAOYSA-N 465.289 3.293 5 40 JGBB O=C(NN1C(=O)c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C1=O)c1ccc(O)cc1 95470758 CPJVYNPMCCIXBL-UHFFFAOYSA-N 456.208 3.157 5 40 JGBB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(-c3cccc([N+](=O)[O-])c3)o1)[C@@H]1C(=O)c3ccccc3C1=N2 105512830 HXELXXMDQDOSIH-PMACEKPBSA-N 482.452 3.331 5 40 JGBB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)nc(C)n1 6025950 CWVUMEYCWYPVNW-IZZDOVSWSA-N 453.480 3.454 5 40 JGBB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(OC)c([N+](=O)[O-])cc3C)CC2=O)cc1 9544965 RVMZOYJGWPSLMQ-MRXNPFEDSA-N 455.467 3.009 5 40 JGBB O=C(CCCS(=O)(=O)c1ccc(F)cc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 10219017 JJNVMSASISJNTJ-UHFFFAOYSA-N 492.554 3.246 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c1 408645110 KAWMSVCMZJJUHN-UHFFFAOYSA-N 472.475 3.102 5 40 JGBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 409357520 QPMAOTVGYDMVLK-YBFXNURJSA-N 453.476 3.225 5 40 JGBB C[C@H](OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1cc(Cl)cc(Cl)c1 8684879 JJSZODLNFPUMPS-JTQLQIEISA-N 480.260 3.458 5 40 JGBB O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1F 9630693 CTGDTTQRVLWHSV-UHFFFAOYSA-N 463.849 3.421 5 40 JGBB CCCOC(=O)c1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1N1CCOCC1 9933575 CJGAFNHOGBIWGY-UHFFFAOYSA-N 498.536 3.087 5 40 JGBB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccc(O)c([N+](=O)[O-])c1 12597923 TXEQEZQQINXXBL-FQEVSTJZSA-N 471.491 3.345 5 40 JGBB COc1ccc(-c2csc(NC(=O)CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 14921578 CVBSTROOAQNCFT-UHFFFAOYSA-N 453.524 3.488 5 40 JGBB COC(=O)C1=C(C(=O)OC)N(c2ccc(Br)cc2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 32936418 WDXYURNBQGZUQP-INIZCTEOSA-N 490.266 3.228 5 40 JGBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@H]2[C@@H]2CCCN21 248340274 UQMNCONZWQQSDX-GSRZOBFVSA-N 480.908 3.296 5 40 JGBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1ccccc1C(F)(F)F 408664589 QSOLEXHQPTYVCH-LBPRGKRZSA-N 451.357 3.148 5 40 JGBB COc1cc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)cc(OC)c1OC 8445733 IDLUDDWWXQUMRG-UHFFFAOYSA-N 473.511 3.455 5 40 JGBB CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)s1 12532411 DIZMYVYJZCAYOP-UHFFFAOYSA-N 492.004 3.251 5 40 JGBB CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1[N+](=O)[O-] 22570349 HBCKJXYOJWGSNC-SNVBAGLBSA-N 462.553 3.406 5 40 JGBB O=C(CN1CCN(C(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)CC1)N1CCCC1 242167640 WYFHOBDPZXFKOO-UHFFFAOYSA-N 454.552 3.126 5 40 JGBB CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)cc3)C(=O)[C@@H]2C1 408656306 HOEITDWUQNXOBE-URZJWIJPSA-N 489.484 3.399 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 2681643 CSQKXBORIOVMBT-FNGUVFISSA-N 495.582 3.428 5 40 JGBB C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@H]([C@H](C)O)[C@H](O)[C@@H]3O)c21 5464330 XCWHINLKQMCRON-HIVIWTBRSA-N 494.496 3.008 5 40 JGBB biogenic CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 12856378 WAVQFNLBCPLLJX-UHFFFAOYSA-N 455.540 3.089 5 40 JGBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 62645748 FSJMAISRCPOTTG-IDJPSDCMSA-N 478.958 3.194 5 40 JGBB COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 224169662 RHSZGPLUXCNAGV-SFHVURJKSA-N 457.527 3.480 5 40 JGBB CC[C@@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225069978 GEIRXWZIQBCUMU-KRWDZBQOSA-N 491.551 3.305 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)c3)C(=O)[C@H]2C1 408671246 YXDWLKQZFFNTIX-XMCHAPAWSA-N 465.462 3.316 5 40 JGBB COc1ccc(/C=C/C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 9064499 FRYPOEIBENYMLO-JXMROGBWSA-N 460.943 3.493 5 40 JGBB CC1(C)S[C@H]2N(C(=O)C2(Br)Br)[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 21984791 PWPAEVUYDSBPBY-GXFFZTMASA-N 494.161 3.186 5 40 JGBB Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccccc4)c(=N)n(Cc4ccccc4)c3nc12 100907928 BTMJNYAIWBTIDM-UHFFFAOYSA-N 463.541 3.458 5 40 JGBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)N1CCc2ccccc21 408608852 WZTXIOBFRVAPDB-CSKARUKUSA-N 478.461 3.333 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2C)CC1=O 408672808 XDKHKQZLLYHBKX-CYBMUJFWSA-N 461.858 3.100 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408688460 WIIYOVULANAOPQ-VQTJNVASSA-N 492.444 3.084 5 40 JGBB Cn1c(CCC(=O)OCc2cccc([N+](=O)[O-])c2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 21972171 BOELSMLRTSKCOQ-UHFFFAOYSA-N 486.550 3.332 5 40 JGBB C[C@H]1CN(C2CCN(c3ccc(S(=O)(=O)N4CCCCCC4)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 40135264 GEFYJLFVKMOMOI-KDURUIRLSA-N 480.631 3.238 5 40 JGBB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NCCS(=O)(=O)c3ccccc3)c([N+](=O)[O-])c2)C1 40139254 HFHXCIAORSGSCF-IRXDYDNUSA-N 481.596 3.147 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)CC1=O 138739231 PMPDKZZWAJPSKY-NSHDSACASA-N 482.276 3.445 5 40 JGBB COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C(=O)NC(C)(C)C)c1 223053992 XIKGXYZKMOIHLW-MRXNPFEDSA-N 473.526 3.323 5 40 JGBB O=C(COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1)N1CCCC1 225563266 BQRSDTSZUILPQP-UHFFFAOYSA-N 453.495 3.283 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)cc1 408685660 PSJIWODDYKZBQY-RTWAWAEBSA-N 477.473 3.185 5 40 JGBB Cc1ccc(F)c2c1N(C(=O)[C@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)CCC2 609426975 GPCLUHKSJAQBFP-INIZCTEOSA-N 461.515 3.422 5 40 JGBB O=[N+]([O-])c1ccc(S(=O)(=O)C2=CN3C(O)=NC(C(F)(F)F)(C(F)(F)F)N=C3S2)cc1 2345925 MIKWHOHZKMHGTB-UHFFFAOYSA-N 476.336 3.321 5 40 JGBB COc1ccc(CCNC(=O)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)cc1OC 9762480 RRWURKJEYITDLT-QFIPXVFZSA-N 499.907 3.210 5 40 JGBB C[C@H](NS(=O)(=O)c1cccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 9890889 XZCNLKSLEPRAFE-KRWDZBQOSA-N 468.535 3.476 5 40 JGBB O=[N+]([O-])c1ccc(NCCSCc2ccc(Cl)nc2)c(S(=O)(=O)N2CCOCC2)c1 62587359 MQBVYVXZAOXDKO-UHFFFAOYSA-N 472.976 3.009 5 40 JGBB O=C(O)c1ccc(N2C(=O)[C@H]3[C@@H](c4cccc([N+](=O)[O-])c4)N(c4ccccc4)O[C@H]3C2=O)cc1 102710223 NATCCOPVGBHQHE-PWRODBHTSA-N 459.414 3.344 5 40 JGBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=NN32)cc1 103531588 HTTAJJBTILUYAS-KEZOAJOQSA-N 496.479 3.365 5 40 JGBB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 107909705 FPGFSTDWXBWSFE-JMIUGGIZSA-N 483.502 3.233 5 40 JGBB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 9318131 YRNLKKLRXPLCHQ-UHFFFAOYSA-N 482.518 3.179 5 40 JGBB CCN(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 9510281 KDMCSTUQWOBUAL-QGZVFWFLSA-N 492.575 3.247 5 40 JGBB COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] 32126213 OHARNNZXOYXUSW-UHFFFAOYSA-N 485.566 3.035 5 40 JGBB COc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)COc1ccccc1[N+](=O)[O-] 3189335 IERCBUQNRGABBP-UHFFFAOYSA-N 461.430 3.269 5 40 JGBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1cccc([N+](=O)[O-])c1 9702763 FUAKZXNPBGKHSL-UHFFFAOYSA-N 451.435 3.319 5 40 JGBB COc1cc(CCNC(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)c([N+](=O)[O-])cc1OC 11080959 PDFZGWGIQDFFQP-HNNXBMFYSA-N 459.524 3.046 5 40 JGBB O=c1c(N2CCCC2)nc2ccc([N+](=O)[O-])cc2n1C[C@H](O)COc1ccc2ccccc2c1 58167170 KTONYJUPWICEGT-FQEVSTJZSA-N 460.490 3.498 5 40 JGBB CCOC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)sc2c1CCC2 845115 OCGVZNWLERVGGI-UHFFFAOYSA-N 457.306 3.228 5 40 JGBB O=C([C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCC(Cc2ccccc2)CC1 9358472 HTUGJFDWWQYXQB-NRFANRHFSA-N 471.579 3.477 5 40 JGBB COc1cc(C(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)c([N+](=O)[O-])cc1OC 9569553 PWSAWCJRBSVFET-UHFFFAOYSA-N 471.470 3.495 5 40 JGBB Cc1cc(NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1C 15634909 BXXIOLMIJYNQGF-SFHVURJKSA-N 495.941 3.200 5 40 JGBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 408641288 CITUIKJASOIODC-ONGXBYRLSA-N 479.489 3.407 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408678168 CSCBGGXOARTYAL-BJZITVGISA-N 494.460 3.164 5 40 JGBB Cc1ccc2nc(COC(=O)[C@@H](C)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc(=O)n2c1 9635352 XLJSJFVZJQPTLB-GFCCVEGCSA-N 450.373 3.474 5 40 JGBB Cc1c(NS(=O)(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 9662905 UKCTVZCZXKZGJA-INIZCTEOSA-N 485.566 3.430 5 40 JGBB CC1CCN(S(=O)(=O)c2ccc(N[C@H](C)c3ccc4[nH]c(=O)[nH]c4c3)c([N+](=O)[O-])c2)CC1 40119625 ZNCWXXBXTMYQNL-CQSZACIVSA-N 459.528 3.358 5 40 JGBB CCCCCn1/c(=N\C(=O)c2ccncc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101106147 GEKHKUXQBGULRI-FAJYDZGRSA-N 473.533 3.461 5 40 JGBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3c(c1)OCO3)C(c1ccc([N+](=O)[O-])cc1)=NN2c1ccccc1 103602684 BLLWKUZDXPENLR-UNMCSNQZSA-N 456.414 3.106 5 40 JGBB CC[C@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224399790 MUXIYJIPBHQWDB-MRXNPFEDSA-N 461.525 3.297 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(Cl)cc1 408640324 AQPGJJVGEZEBCA-LRGYGIHKSA-N 479.876 3.295 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccccc4Cl)c3[nH]2)C1 1334751 LVMUKEICFIVRCM-MRXNPFEDSA-N 493.911 3.144 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cn2)c([N+](=O)[O-])c1 9714597 ZDUXDGRVWJDWJG-UHFFFAOYSA-N 478.914 3.401 5 40 JGBB CCCCN(C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14720152 NRPLUGYSBUXLFD-UHFFFAOYSA-N 469.498 3.390 5 40 JGBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccc(F)cc4)c(=N)n(Cc4ccco4)c3nc12 101101921 QTDZEBDBOYCMFB-UHFFFAOYSA-N 457.465 3.147 5 40 JGBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=NN23)cc1 248146331 SPXLHZZSXXYQPW-LWSSLDFYSA-N 496.479 3.365 5 40 JGBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OC 408564739 FNXDFSHFZSKXNK-ZMDAGSBUSA-N 462.300 3.035 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)c([N+](=O)[O-])c1 408571707 CZQLWCPIDOHZCN-UHFFFAOYSA-N 462.300 3.496 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)cc3)C(=O)[C@@H]2C1 408653972 FTOIDLNILHRZRT-ZPGKAZOCSA-N 491.500 3.479 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408676612 AZAYYYJSGCDUFC-PKOBYXMFSA-N 464.434 3.402 5 40 JGBB COc1cc2c(=O)[nH]c3c(C(=O)OC[C@@H]4CCCO4)c4nc5ccccc5nc4n3c2cc1OC 6143815 DZAUXICCXRMHBM-ZDUSSCGKSA-N 474.473 3.230 5 40 JGBB COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 9319659 BXGRRDAMTIFNNK-BDTNDASRSA-N 473.441 3.433 5 40 JGBB COc1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])cc1OC 12745673 QEACLPWIONLZKV-UHFFFAOYSA-N 456.451 3.118 5 40 JGBB Cc1cc(C(=O)NC(=S)Nc2ccc(I)cc2C(=O)O)ccc1[N+](=O)[O-] 16283166 JHEXRLFTCQWANJ-UHFFFAOYSA-N 485.259 3.333 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 23861393 WMJSNQCNKHSOFG-LBPRGKRZSA-N 470.404 3.400 5 40 JGBB Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21 35851709 USJBZSAYAXICMV-ZVVFGRKBSA-N 480.908 3.296 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 408670979 XWNBGJHYXFUAKJ-CYBMUJFWSA-N 461.858 3.100 5 40 JGBB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 408713715 PNRAZGOWWHSCDN-CQSZACIVSA-N 451.476 3.090 5 40 JGBB Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] 8831618 UDXMTRZJMJXMEI-UHFFFAOYSA-N 469.567 3.335 5 40 JGBB CCCn1/c(=N\C(=O)c2cccs2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101099465 SKQLTVUZWCSDKJ-QQTULTPQSA-N 450.520 3.347 5 40 JGBB CCSc1nnc(NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)s1 223172195 BRUKHBNTAJKULG-GFCCVEGCSA-N 459.575 3.050 5 40 JGBB CS(=O)(=O)N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)OCO2 408704928 VUANJXVKVQWILG-UHFFFAOYSA-N 455.876 3.162 5 40 JGBB Cc1cccnc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C 409124374 BMTIVUCAUFSYMK-GOSISDBHSA-N 483.554 3.285 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1 3044921 VAUVPAMDWFKQLE-UHFFFAOYSA-N 498.473 3.487 5 40 JGBB O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1c(Cl)cccc1C(F)(F)F 10021171 AEQYIJHCPCUGSD-UHFFFAOYSA-N 485.758 3.045 5 40 JGBB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222842465 PZRGQRAAFIQKRE-HXUWFJFHSA-N 473.526 3.323 5 40 JGBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408649232 KWQQJCCJOFJGHA-VUEDXXQZSA-N 479.876 3.295 5 40 JGBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408653899 QCBJRCYXKHNJKP-RTBURBONSA-N 467.865 3.440 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@H]12 408666664 RLRKTYHRGRQJAJ-YFZFPPMRSA-N 463.446 3.092 5 40 JGBB CS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1[N+](=O)[O-] 9119777 VXGHTJUTBCJXTQ-UHFFFAOYSA-N 455.496 3.236 5 40 JGBB CN1CCN(S(=O)(=O)c2ccc(NCc3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)CC1 12730906 XDSZGFJFRFVNPZ-UHFFFAOYSA-N 459.355 3.450 5 40 JGBB C[C@H](c1ccccc1)N1CCN(C(=O)COc2cc(NCCCC(=O)O)ccc2[N+](=O)[O-])CC1 12782784 PPHALMXDCBDFKP-GOSISDBHSA-N 470.526 3.156 5 40 JGBB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 19818332 FVWZIGVTMJYACI-VQTJNVASSA-N 452.467 3.096 5 40 JGBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1cc(Cl)c2c(c1)OCCCO2 24080467 CXKVWCFSOIROPE-UHFFFAOYSA-N 461.858 3.414 5 40 JGBB O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1 32124862 CROIUZSTIGKGDK-BOPFTXTBSA-N 459.505 3.354 5 40 JGBB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 32927322 YFCOLKNJOJURSQ-IRXDYDNUSA-N 450.499 3.351 5 40 JGBB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 71980633 KTUKEBABIXSWAM-LJQANCHMSA-N 459.886 3.166 5 40 JGBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3cccnc3)c2=N)cc1C 100940503 QODIGCNTGNYETQ-UHFFFAOYSA-N 485.569 3.330 5 40 JGBB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222940290 GMYRXMQVJPPCFI-HXUWFJFHSA-N 457.527 3.357 5 40 JGBB O=C(Nc1ccccc1I)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 827229 UFIHHXFRTASDBN-NSHDSACASA-N 451.220 3.191 5 40 JGBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9064701 KCCAMKOTSHBAPR-UHFFFAOYSA-N 465.875 3.120 5 40 JGBB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 9284732 MDSXHPVJCSVKMZ-UHFFFAOYSA-N 469.475 3.215 5 40 JGBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)c(C)c1 408534478 SMJVLZZEXYLXMO-OCKHKDLRSA-N 495.517 3.077 5 40 JGBB C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@H]([C@H](C)O)[C@@H](O)[C@H]3O)c21 1578317 XCWHINLKQMCRON-OTEDUGRMSA-N 494.496 3.008 5 40 JGBB biogenic C[C@@H](NS(=O)(=O)c1cccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 9890890 XZCNLKSLEPRAFE-QGZVFWFLSA-N 468.535 3.476 5 40 JGBB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncccn2)CC1 14797579 ORGGBPCXNXZRIB-UHFFFAOYSA-N 469.505 3.129 5 40 JGBB CCCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=CC=NN2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)cc1 18067680 BWRDWAGCVSNESM-CWBXHPNXSA-N 488.500 3.371 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 40399298 BYPKDZAFNADZGU-AWEZNQCLSA-N 468.857 3.448 5 40 JGBB Nc1cc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1N1CCSCC1 58160114 JDNYKZQOQZMWCL-UHFFFAOYSA-N 450.904 3.179 5 40 JGBB CCOCCCn1c(=N)c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3cccc(C)c3nc21 101099641 QTRCLZYDIOQSBI-UHFFFAOYSA-N 479.968 3.447 5 40 JGBB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 408563755 XBFNTRQDSXCUSM-ZDUSSCGKSA-N 453.904 3.296 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 408656479 SQMRHJPBKQCXFU-BGYRXZFFSA-N 465.462 3.019 5 40 JGBB COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409348370 OZHGSYWLFZKLQC-ZDLGFXPLSA-N 456.432 3.066 5 40 JGBB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)CC2)c1 3354392 JIDFYZNZNMYLDN-UHFFFAOYSA-N 488.547 3.447 5 40 JGBB Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)cs1 9671440 QGPOTIFAIVNMKH-UHFFFAOYSA-N 470.507 3.302 5 40 JGBB Cc1ccccc1CSCCNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 10337907 USAHLDWNDZFDQO-UHFFFAOYSA-N 451.570 3.027 5 40 JGBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1=O 15236604 HYIGYQBNWURXQJ-BWKNWUBXSA-N 461.474 3.469 5 40 JGBB O=C(Nc1ccc(I)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408638445 CGNYOVFCRWFHPC-LLVKDONJSA-N 451.220 3.191 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409361556 DFZOQGXSLLRXEN-PRWBYUBPSA-N 463.515 3.015 5 40 JGBB CCCc1nc(N2CCc3ccccc3C2)ncc1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 585265704 PVPIHAUZBYIDAH-UHFFFAOYSA-N 481.534 3.019 5 40 JGBB COc1cc(C(=O)OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c([N+](=O)[O-])cc1OC 3362630 VKOUEXLWLDHSCM-UHFFFAOYSA-N 450.272 3.103 5 40 JGBB Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)c([N+](=O)[O-])cc1C 8888798 VLJOBOFVPJRFQC-HXUWFJFHSA-N 475.299 3.380 5 40 JGBB COc1cc(CCC(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc(OC)c1OC 9373326 XJPONQXYKWKBFS-UHFFFAOYSA-N 452.847 3.389 5 40 JGBB O=C(COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)Nc1ccc(F)cc1[N+](=O)[O-] 9544468 MXCURVBMSUXANC-UHFFFAOYSA-N 462.393 3.229 5 40 JGBB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc1[N+](=O)[O-] 57316346 GFPQUXYKIXXUDF-UHFFFAOYSA-N 499.593 3.425 5 40 JGBB O=C(NC[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)c1ccc(Cl)cc1Cl 100041676 KGKISOOXXVBSEF-VDNWNZSNSA-N 488.283 3.145 5 40 JGBB CC1=C[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2c2ccccc21 101488200 DRNYDDWCKMAVEX-PIAWWSJMSA-N 487.512 3.232 5 40 JGBB CC(=O)Nc1cccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 408630385 SVDUCQOBZYMACM-UHFFFAOYSA-N 468.491 3.387 5 40 JGBB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1[N+](=O)[O-] 409195631 RHJXVFCZNIMPFC-GIJQJNRQSA-N 471.447 3.050 5 40 JGBB CCOCCCn1/c(=N/C(=O)c2cccs2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 13769635 FNIFGNLUORFVNY-YYADALCUSA-N 480.546 3.055 5 40 JGBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1CCCN1CCOCC1 20900101 MJBMPOMPBUWBMX-OAQYLSRUSA-N 467.453 3.108 5 40 JGBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 57316407 NVWGPYFJVKIRNC-UHFFFAOYSA-N 469.567 3.416 5 40 JGBB COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4ccc5ccccc5c34)CC2)cc1 89453903 AZMJXAXDMAHACP-UHFFFAOYSA-N 464.543 3.461 5 40 JGBB Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccccc4)c(=N)n(CCCOC(C)C)c3nc12 101088893 FMRPHSXDWQUCNS-UHFFFAOYSA-N 473.577 3.225 5 40 JGBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(OC(=O)c2ccco2)cc1 408639128 VHRKTKMNNJEELQ-INIZCTEOSA-N 478.413 3.186 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408647514 JJURMGMBCPHNBX-IRXDYDNUSA-N 453.476 3.238 5 40 JGBB CCOC(=O)C1=C(C)N=C(N[N+](=O)[O-])N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731544 NNLWFHACTYQYFO-OAQYLSRUSA-N 499.480 3.191 5 40 JGBB COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1-c1ccc(CO)o1 20142914 PCOAHSMMNVTQBI-UHFFFAOYSA-N 453.451 3.445 5 40 JGBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 102076428 QDXSVDXSTOSPTG-UFRCIXKBSA-N 472.453 3.192 5 40 JGBB COc1cc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 223126979 YMLHQYFOZQOXOG-QGZVFWFLSA-N 457.527 3.357 5 40 JGBB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Cl 224936946 WMWIAIGJXSIVOU-UHFFFAOYSA-N 473.910 3.129 5 40 JGBB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C)cc1 13632976 WOFZCLIZRQCTEB-CYBMUJFWSA-N 452.920 3.106 5 40 JGBB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 32927326 YFCOLKNJOJURSQ-DLBZAZTESA-N 450.499 3.351 5 40 JGBB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 57333537 UNYCRUSQMLBKDF-UHFFFAOYSA-N 468.510 3.461 5 40 JGBB CC[C@@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224103151 PRIHYOVKVREBSV-FQEVSTJZSA-N 463.556 3.260 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408689214 XYHPDHMYSVOBEN-FEBSWUBLSA-N 464.434 3.092 5 40 JGBB CCCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=CC=NN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 103140219 BWRDWAGCVSNESM-GPJHCHHRSA-N 488.500 3.371 5 40 JGBB CCCn1/c(=N\C(=O)CCOc2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103627809 CSIDFVKQVALXHS-COOPMVRXSA-N 474.517 3.132 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C/c3nc(O)c([N+](=O)[O-])c(O)n3)cc2)cc1 409333703 VGBWFEWXDLXKGK-IZZDOVSWSA-N 450.407 3.070 5 40 JGBB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9670651 CAVXRFQYIZNJBX-LLVKDONJSA-N 490.321 3.140 5 40 JGBB O=C(Cn1c(S)nnc1-c1cccs1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9891495 YBIPVGFVPKZSQE-UHFFFAOYSA-N 472.474 3.451 5 40 JGBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223132042 ABEHUAXODYRKRY-CVEARBPZSA-N 461.490 3.453 5 40 JGBB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 225705310 YIBLPGBDCULSLY-UHFFFAOYSA-N 453.889 3.461 5 40 JGBB COc1ccc(C(=O)COC(=O)CCN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1[N+](=O)[O-] 408668912 FYLCPUNIDCKUMO-UHFFFAOYSA-N 481.244 3.322 5 40 JGBB CCOc1ccccc1C(=O)N[C@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C 3309588 ROIZWNWSZNFMGO-FQEVSTJZSA-N 458.467 3.358 5 40 JGBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408646831 IWLSBYSFAFNSNE-IRXDYDNUSA-N 467.865 3.440 5 40 JGBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1[N+](=O)[O-] 408659132 VREGQCFJHOFYSI-CQSZACIVSA-N 461.268 3.445 5 40 JGBB CCN(CC(=O)Nc1cccc(OC)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 9641310 WKAQUCAKUBDHHB-UHFFFAOYSA-N 461.418 3.362 5 40 JGBB COc1cccc([C@@H]2[C@@H](Oc3cccc([N+](=O)[O-])c3)C(=O)N2CC(C)(C)N2CCOCC2)c1 48232107 HFIDGUTXYWGZKK-FGZHOGPDSA-N 455.511 3.045 5 40 JGBB O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)N1CCCCC1 205799583 SMCQPLHREFZCGZ-CPNJWEJPSA-N 454.508 3.493 5 40 JGBB O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 229858509 XLHBWNLYYZPSFT-PDGJWGCVSA-N 455.426 3.461 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408663735 ONUSGSHGIZIBBI-YKTUVVHCSA-N 475.457 3.010 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 408685635 POWRGSCVSBKIRV-LIVBEALHSA-N 464.434 3.258 5 40 JGBB COc1ccc(S(=O)(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] 21325065 OIYSUNQRCHJZPG-UHFFFAOYSA-N 459.446 3.129 5 40 JGBB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225195462 FHOJPKUVWHSTRE-INIZCTEOSA-N 461.490 3.455 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408679948 FPOSFYNDMKDQRP-HKUYNNGSSA-N 465.437 3.315 5 40 JGBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc(C(=O)O)cc2)n[nH]1 409170793 XGQCNMAJKGLYIB-GOSISDBHSA-N 498.521 3.269 5 40 JGBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 409275773 WRYFCKHXSMIBNB-MOSHPQCFSA-N 498.517 3.115 5 40 JGBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 9511991 NUJQYQBCBZIKCD-FQEVSTJZSA-N 489.916 3.260 5 40 JGBB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 9580681 YGQMDKJZCSSSIM-UHFFFAOYSA-N 490.472 3.046 5 40 JGBB Cc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 10000483 COCGGQZIDMALDW-HSZRJFAPSA-N 468.487 3.349 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 14019445 JIWKPPGAZLKBQO-ZDUSSCGKSA-N 453.904 3.296 5 40 JGBB Cc1ccccc1NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 22823506 VEPLRLPJCCJGCY-GOSISDBHSA-N 453.451 3.096 5 40 JGBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1O 102742092 AAXSHIZYBXAEFI-YPAWHYETSA-N 461.430 3.360 5 40 JGBB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 9396702 TYUVOGUDIDRGTH-GOSISDBHSA-N 476.507 3.065 5 40 JGBB Cc1ccc2cccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2n1 21595621 MRVLDXVDPPPQSF-UHFFFAOYSA-N 451.508 3.415 5 40 JGBB NC1=Nc2nc3ccccc3n2[C@@H](C2=C(N3CCOCC3)/C(=C/c3cccc([N+](=O)[O-])c3)CC2)N1 101373602 ZNHHCGRNCRVKME-IOUNIBQOSA-N 471.521 3.456 5 40 JGBB C=C/C=C/OCC(=O)/N=c1/c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc2n1CCCCC 102880342 CDIFMIUKWWDRKD-UJTUKGMDSA-N 478.549 3.468 5 40 JGBB CC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 260815123 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O=C(CN1CCN(Cc2ccccc2)CC1)NCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 12376414 BVRPFQZAGRADPW-UHFFFAOYSA-N 479.503 3.350 5 40 JGBB Cc1ccc(-c2noc([C@H](C)N3CCN(S(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)CC3)n2)cc1 31583975 DERGITLWRTXTEE-KRWDZBQOSA-N 471.539 3.329 5 40 JGBB CC(C)[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 35355243 XYQAASMBCYOOQH-HSZRJFAPSA-N 490.582 3.111 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2Cl)n1C 409355452 CCQOBONJZVBVMS-UHFFFAOYSA-N 474.930 3.346 5 40 JGBB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 2665087 SIXRZPOLAADTDP-UHFFFAOYSA-N 474.498 3.402 5 40 JGBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2)C1 9631211 SBMBCACGHKUYKN-HZPDHXFCSA-N 490.534 3.485 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c([N+](=O)[O-])c1 12529092 IQRPBSOSCADRTN-UHFFFAOYSA-N 483.502 3.177 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 22757910 AYRZKHMEHMOYMW-CNEDASOKSA-N 497.529 3.087 5 40 JGBB N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 101095579 SMQFEARKBCFZDZ-UHFFFAOYSA-N 453.477 3.246 5 40 JGBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O)N1CCOCC1 214281148 IIBLNVUENZLDHL-LICLKQGHSA-N 477.882 3.403 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1[N+](=O)[O-] 408659671 MPBANKPQPMHUQA-OALUTQOASA-N 463.446 3.154 5 40 JGBB COc1ccc(C2=NN(C(=O)COC(=O)c3cc([N+](=O)[O-])cnc3C)[C@H](c3ccco3)C2)cc1 9244421 RAMHCGNBDXTLAW-FQEVSTJZSA-N 464.434 3.435 5 40 JGBB Cc1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 9597169 IGNBLXPLLOIWMP-LJQANCHMSA-N 453.451 3.096 5 40 JGBB COc1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 10542253 RQZOHOIFMLSZGP-UHFFFAOYSA-N 473.551 3.292 5 40 JGBB CSc1ccc(C(=O)c2ccccc2C(=O)NCCNC(=O)c2cccn2C)cc1[N+](=O)[O-] 32754310 OMPVSMHZLUJKKD-UHFFFAOYSA-N 466.519 3.046 5 40 JGBB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)n2CCOC 35224679 AHXQIRZVNIHVLR-UHFFFAOYSA-N 483.481 3.177 5 40 JGBB O=C(COc1ccc(Br)cc1F)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 58151173 BNLFEAQPJCQSHH-UHFFFAOYSA-N 452.280 3.220 5 40 JGBB CC[C@H](C(=O)NCC1(c2ccccc2)CCOCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225378607 CDHOMPAZXVOXRV-OAQYLSRUSA-N 489.594 3.312 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 408642139 DOOFUXPQVKVHGO-RFVSGWPVSA-N 465.437 3.171 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)c1 408642473 DXQHFMPAFOTZDO-NHCUHLMSSA-N 477.473 3.185 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)cc1 408658084 USVXMLBDTRFGRD-QPJICYPMSA-N 477.473 3.041 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(C(=O)Nn3c(C)ccc3C)cc2)CC1=O 408685947 QNVZNPUPCZXZLH-GOSISDBHSA-N 491.504 3.397 5 40 JGBB O=C(Nc1cnn(Cc2ccccc2F)c1)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619386 MPFBZZGSMRXHKE-UHFFFAOYSA-N 458.413 3.336 5 40 JGBB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 44899944 NHRHYDXSHJIWLG-LJQANCHMSA-N 479.555 3.282 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cc4ccccc4o3)CC2)c([N+](=O)[O-])c1 408571713 DDAHGCPEKVEKOT-UHFFFAOYSA-N 482.518 3.355 5 40 JGBB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1Br 408651341 AVAJMJAPCXQWEP-CYBMUJFWSA-N 476.283 3.201 5 40 JGBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O 409241180 RWARDDVTXGAVFD-LZYBPNLTSA-N 489.282 3.157 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(CCC(C)(C)SC)CC2)c([N+](=O)[O-])c1 1621205226 CSQLUPLNIFSWEI-UHFFFAOYSA-N 458.650 3.279 5 40 JGBB COc1ccc([C@H](CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)N2CCCC2)cc1 17911829 KILJMUJCHUPMIQ-NRFANRHFSA-N 468.510 3.245 5 40 JGBB O=C(c1cccc(OCc2ccc(F)cc2)c1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 25446359 NBQNXXFSYULRJU-UHFFFAOYSA-N 499.520 3.460 5 40 JGBB COc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c([N+](=O)[O-])cc1OC(F)F 29583628 YFMPCUFHFYGHKW-KRWDZBQOSA-N 469.416 3.147 5 40 JGBB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 97653907 DHERMMJWZQYTKX-CXUHLZMHSA-N 451.357 3.273 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1ccc(C)cc1 101135453 MLKBCCBKGUFKAS-OLFWJLLRSA-N 488.544 3.220 5 40 JGBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4Cl)C3=O)[C@@H]2[C@@H](C)O1 102780104 MYYHYCWOZXBTFS-UCSKIROJSA-N 484.896 3.056 5 40 JGBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)cc1 223197493 LSLFMWDXIYKAEN-RPWUZVMVSA-N 492.605 3.475 5 40 JGBB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)cc2Cl)CC1 8897596 MIFFOSIIAFFJGG-UHFFFAOYSA-N 475.958 3.352 5 40 JGBB CCOc1ccc(-c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)cc2)nn1 9715030 IYXYYKICFALYNS-UHFFFAOYSA-N 459.440 3.468 5 40 JGBB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 9908000 ZLSJQBXWKVPQKH-UHFFFAOYSA-N 481.553 3.376 5 40 JGBB COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4Cc5ccccc5[C@@H]43)C2=O)cc1 12420784 TXPZSXRWIJIRNS-ATIYNZHBSA-N 484.468 3.490 5 40 JGBB Cc1cc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c([N+](=O)[O-])cc1C 12565184 FYBFCDBRMTXIGU-JOCHJYFZSA-N 452.511 3.430 5 40 JGBB O=C(OCC[C@H]1Oc2cc([N+](=O)[O-])ccc2NC1=O)c1ccc(I)cc1 12957518 ZTYQPBAIBYKVLI-CQSZACIVSA-N 468.203 3.146 5 40 JGBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCCOc1ccccc1OC 15019325 LZJLKSXTBOKDGA-PKNBQFBNSA-N 469.450 3.419 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)cc3)C(=O)[C@H]2C1 408653966 FTOIDLNILHRZRT-AERDPVEMSA-N 491.500 3.479 5 40 JGBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2nccs2)n[nH]1 409153379 LJRPMZUUGZRQHA-CQSZACIVSA-N 461.529 3.027 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 9907912 MMCOKNKOQCNCLO-UHFFFAOYSA-N 474.901 3.346 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccc[nH]3)cs2)CC1 13029178 JHSZLTNJUVKRRH-UHFFFAOYSA-N 475.552 3.394 5 40 JGBB Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c(C)c1 32856115 PAIYFOUFUVRRBZ-UHFFFAOYSA-N 456.499 3.190 5 40 JGBB Cc1nnc2sc(-c3ccccc3NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)nn12 59294416 CRCLDAGJINPZEX-UHFFFAOYSA-N 465.495 3.158 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)cc1 408676619 BAGBIBPFGXPDHJ-UYAOXDASSA-N 477.473 3.185 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408683157 KOIVIUDJAHXFAK-CPLUKWAASA-N 464.434 3.092 5 40 JGBB Cc1c(NS(=O)(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 8686676 UVPOBBWAXHQQIQ-UHFFFAOYSA-N 471.539 3.184 5 40 JGBB Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 9507024 ZGUDDIOMTJKGMT-UHFFFAOYSA-N 478.461 3.433 5 40 JGBB CC(C)[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCOCC1 12558571 MPDBVFNCLHYIFD-HXUWFJFHSA-N 472.508 3.303 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)c([N+](=O)[O-])c1 18174461 ZIUJQTVCWZFPCU-UHFFFAOYSA-N 497.524 3.258 5 40 JGBB COc1cc(OCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 225691024 NKOWHUDMUWEHMD-INIZCTEOSA-N 461.490 3.311 5 40 JGBB Cc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCO2 2254038 BNCBBGKFXUTDEJ-INIZCTEOSA-N 455.474 3.500 5 40 JGBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9086782 PQAABILYEVECSV-UHFFFAOYSA-N 451.233 3.354 5 40 JGBB Cn1cnnc1Sc1ccc(C(=O)N[C@H](c2ccccc2F)c2nccn2C)cc1[N+](=O)[O-] 18236847 SQXKJPKEDJIUJC-GOSISDBHSA-N 467.486 3.267 5 40 JGBB O=C(COc1ccc(Nc2ccccc2)cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 89845716 REXXDJNGZCTFGP-UHFFFAOYSA-N 496.545 3.250 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408684418 NGLDEOBJGTUUHL-IYBDPMFKSA-N 450.407 3.012 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)cc1 408687733 UUKYJBWJBYWIKE-ZTNFWEORSA-N 479.489 3.265 5 40 JGBB CC(=O)Oc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-] 409371327 ICEOXVMOMYYACN-FGEXJBCWSA-N 499.435 3.305 5 40 JGBB CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@+]3([O-])CC2CC2)[C@H]1O5 1570006118 MWDGJQVNEHFHMK-FINBLUPVSA-N 492.572 3.102 5 40 JGBB CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 8685612 QMNCCJDPYDTOLG-UHFFFAOYSA-N 451.932 3.308 5 40 JGBB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 9310947 YRFSDQUPWNJDSA-DICSFEIXSA-N 482.103 3.361 5 40 JGBB Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c([N+](=O)[O-])c1 13524869 IQPKTKCJMAAMSK-SFHVURJKSA-N 467.503 3.488 5 40 JGBB O=C(CCC(=O)c1ccccc1)NCCC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 16695427 OHZKLIYXTPGPHI-UHFFFAOYSA-N 495.410 3.265 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@H](C(=O)N1CCc2ccccc2C1)n1cc(Cl)ccc1=O 12464435 HXMPIEFCOOKMJF-OAQYLSRUSA-N 451.866 3.419 5 40 JGBB Cc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1S(N)(=O)=O 12645582 QUELRCKXCAUISW-UHFFFAOYSA-N 486.472 3.425 5 40 JGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)N2CCC[C@@H](C(N)=O)C2)c1C 40134992 BVWUNLGLMQOKIX-CQSZACIVSA-N 494.957 3.003 5 40 JGBB CC(C)(C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1 107689690 UJUAUMZWOGCOJX-UHFFFAOYSA-N 482.581 3.457 5 40 JGBB CS(=O)(=O)N(CC(=O)Nc1nnc(SCc2ccccc2)s1)c1cccc([N+](=O)[O-])c1 223250838 BBNAFDOTBAEGKH-UHFFFAOYSA-N 479.565 3.143 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc3ccccc23)CC1=O 408669104 MRVVRLCMLMKRAV-MRXNPFEDSA-N 463.446 3.291 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C1=O 409369705 WHGURGGXIVNOME-ZKKFKWFVSA-N 471.425 3.388 5 40 JGBB COC(=O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)cc1 409374434 PPSJALQJIWLXSL-LMGFAJPXSA-N 454.438 3.258 5 40 JGBB Nc1ccc(C(=O)OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 9119156 RZLICROBFYNHQJ-UHFFFAOYSA-N 469.475 3.400 5 40 JGBB COc1ccc(/C=C/C(=O)N[C@@H](C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)C)cc1 13097541 DPNCIRVUFWOOPT-MECCDNJOSA-N 470.478 3.367 5 40 JGBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)cc1[N+](=O)[O-] 16693014 AUARCYUCDBJCHX-UHFFFAOYSA-N 472.264 3.120 5 40 JGBB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225451500 UQHUXVBZDMUNGZ-ZWKOTPCHSA-N 457.527 3.357 5 40 JGBB O=C(Nc1ccccc1I)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 827230 UFIHHXFRTASDBN-LLVKDONJSA-N 451.220 3.191 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCN(c3cc(NC[C@H]4CCCO4)c(F)cc3[N+](=O)[O-])CC2)cc1 12461827 ZVFYWBYZXRBHRF-QGZVFWFLSA-N 478.546 3.144 5 40 JGBB CCOC(=O)C1=C(COC(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)NC(=O)N[C@@H]1C 16050412 RZYIBBZOCAKHGY-CYBMUJFWSA-N 471.491 3.421 5 40 JGBB CCn1cnc2c(Nc3cccc([N+](=O)[O-])c3)nc(N3CCN(C(=O)c4ccco4)CC3)nc21 28629293 DHNWLYFXYSKFOK-UHFFFAOYSA-N 462.470 3.053 5 40 JGBB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 69350834 LUFLRRZGDQGCTC-HXUWFJFHSA-N 458.490 3.343 5 40 JGBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c1 9714658 HAUIPAABHRLOJH-UHFFFAOYSA-N 475.914 3.343 5 40 JGBB O=C1C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 19831060 VEYIQUYORJTKTM-SFHVURJKSA-N 480.855 3.217 5 40 JGBB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 25445827 RJUXVQREYAWLBV-UHFFFAOYSA-N 491.529 3.080 5 40 JGBB COCCNC(=O)[C@H](C)Oc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13 8792197 DVVNAUJZOWHUDP-AWEZNQCLSA-N 475.501 3.139 5 40 JGBB biogenic COC(=O)c1cccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 10295647 OVZBZJKKLOHQTM-UHFFFAOYSA-N 469.475 3.215 5 40 JGBB COCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)nc2ccccc2c1=O 12563702 UZCIYTPSJLJBCZ-UHFFFAOYSA-N 493.339 3.444 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2ccnn2Cc2ccccc2)CC1 12994615 HPFPXHGFSLTELM-UHFFFAOYSA-N 483.550 3.187 5 40 JGBB COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1[N+](=O)[O-] 14270386 FBAVKAAZTSCIEA-UHFFFAOYSA-N 455.246 3.401 5 40 JGBB Cc1onc(C(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)c1Cn1cc([N+](=O)[O-])cn1 22715691 RNTYHSGGTACTRB-UHFFFAOYSA-N 479.324 3.401 5 40 JGBB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 408672570 NXRJSOLHSITMPZ-UHFFFAOYSA-N 472.450 3.315 5 40 JGBB CC1CCN(S(=O)(=O)c2ccc(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)CC1 9703329 PHQHYYXTIDZLSN-UHFFFAOYSA-N 486.506 3.422 5 40 JGBB COc1cc(/C=C2\SC(=O)N(CCNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc(OC)c1OC 15994960 FIHNFWRGGVRQIG-PDGQHHTCSA-N 487.490 3.087 5 40 JGBB CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2Cl)CC1 22709973 UHVLXLZQFBBXKM-UHFFFAOYSA-N 473.961 3.479 5 40 JGBB Cc1ccccc1NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 22823501 VEPLRLPJCCJGCY-SFHVURJKSA-N 453.451 3.096 5 40 JGBB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 409164469 IYVXKVUJQNAYNV-UHFFFAOYSA-N 454.512 3.175 5 40 JGBB CC(C)(C)c1ccc(NC(=O)COC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 3319366 DYHUSVVOZRFGKV-UHFFFAOYSA-N 453.451 3.060 5 40 JGBB COCCCn1c(C)cc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c1C 12645493 JDXJPKXHTVGEEX-UHFFFAOYSA-N 479.555 3.096 5 40 JGBB CS(=O)(=O)c1ccc(NCCNC(=O)CCc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 31711054 KXHOELYPDWPWNF-UHFFFAOYSA-N 460.339 3.466 5 40 JGBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)cc1 138636146 ZCDSNNSLFCTYMD-KDURUIRLSA-N 467.865 3.440 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(C)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408640447 AZYVEYGVCUMBHJ-LEWJYISDSA-N 461.474 3.485 5 40 JGBB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 408641287 CITUIKJASOIODC-LPTQZCDUSA-N 479.489 3.407 5 40 JGBB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1C 409129014 TXNQJZMAUWXAGN-UHFFFAOYSA-N 454.512 3.001 5 40 JGBB Cc1cc(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)n1Cc1ccc2c(c1)OCO2 3545514 MQSQTJDMDKKELJ-UHFFFAOYSA-N 461.430 3.269 5 40 JGBB CC1=C[C@H]2[C@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N2c2ccccc21 8990219 CLGKSYUBPOAEEQ-IPVWATMDSA-N 487.512 3.232 5 40 JGBB CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 9064705 HNZWCDKFWLPGKS-UHFFFAOYSA-N 472.523 3.125 5 40 JGBB O=C(CSc1nnc(N2CCOCC2)n1C1CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 11367179 AJDFNJAMUHJJNN-UHFFFAOYSA-N 472.449 3.107 5 40 JGBB C[C@@H]1CCN(C(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c2ccccc2S1 13038653 OWMLXKUANZZDSN-CYBMUJFWSA-N 464.521 3.073 5 40 JGBB COC(=O)c1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 13632187 OGNXKLURUNDRDV-UHFFFAOYSA-N 469.475 3.215 5 40 JGBB CCOc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N(C)C 24329379 LBNPXLAHLXATNI-UHFFFAOYSA-N 450.517 3.075 5 40 JGBB O=C(O)[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 89469890 XFVSVNWYIWINEC-OAHLLOKOSA-N 478.374 3.467 5 40 JGBB CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 408655125 HKPZDSMKBBZIAV-QGZVFWFLSA-N 483.477 3.087 5 40 JGBB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)c([N+](=O)[O-])c1 8635125 JOCIFHHGJOCZAC-IBGZPJMESA-N 461.272 3.071 5 40 JGBB COc1ccc(CCNC(=O)CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn23)cc1OC 9240864 YKHRJTJVAKXBPF-UHFFFAOYSA-N 494.533 3.168 5 40 JGBB CC(=O)N1CCN(c2ccc(C(=O)NC[C@@H](c3cccc(Cl)c3)N3CCCC3)cc2[N+](=O)[O-])CC1 71892160 BOLPGMMVXVLHNE-DEOSSOPVSA-N 499.999 3.484 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 408657071 TZOWMMAOBKIFAH-NRXGSXMXSA-N 453.476 3.094 5 40 JGBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(Cl)cc([N+](=O)[O-])c3O)c2=O)=N1 409037512 CWEYOUVESMTCEN-WSDUQJHMSA-N 499.932 3.066 5 40 JGBB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 4109514 PHBNBWPDZNSSGW-UHFFFAOYSA-N 469.567 3.479 5 40 JGBB Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)n3c(c2n(C)c1=O)[C@@H](c1ccc(O)cc1)OCC3(C)C 9216279 NBPVUXOFRSMCHI-JOCHJYFZSA-N 476.489 3.174 5 40 JGBB O=C(CCc1ccc2c(c1)OCO2)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 10406967 QOEFBWIWRFZXOI-UHFFFAOYSA-N 461.477 3.184 5 40 JGBB COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2cccnc2)CC1 22317697 HCZKHTYWHYVSEM-UHFFFAOYSA-N 483.550 3.121 5 40 JGBB CC[C@@H](C(=O)NCc1ccccc1CN1CCCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224796880 BNTXZYNWUXSHCT-QFIPXVFZSA-N 488.610 3.360 5 40 JGBB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 408637193 HCJBWVLYYVNCOR-SFHVURJKSA-N 468.462 3.331 5 40 JGBB C[C@@H]1CN(C2CCN(c3ccc(S(=O)(=O)N4CCCCCC4)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 40135266 GEFYJLFVKMOMOI-RTBURBONSA-N 480.631 3.238 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 408642141 DOOFUXPQVKVHGO-YFZFPPMRSA-N 465.437 3.171 5 40 JGBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1[N+](=O)[O-] 408653113 IBEBNRNCKQRCLX-CYBMUJFWSA-N 476.283 3.201 5 40 JGBB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9962458 MFIVACULPCTYLQ-SCLBCKFNSA-N 483.930 3.122 5 40 JGBB O=C(CN1CCC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1)Nc1ccccc1 14900510 PGFMNDFKFWNVFE-UHFFFAOYSA-N 468.557 3.374 5 40 JGBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225412987 FELCGUHOZFVDSB-SJORKVTESA-N 473.526 3.323 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1[N+](=O)[O-] 408666802 SODUZXXFICNZGF-OALUTQOASA-N 463.446 3.154 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408688943 XGYQHTDREPLLSV-MJGOQNOKSA-N 492.444 3.084 5 40 JGBB Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 2781205 XYMQDADAXCYGKN-UHFFFAOYSA-N 468.322 3.448 5 40 JGBB COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c2ccco2)cc1 9569358 XOWQQSSPNFIREW-OAQYLSRUSA-N 490.490 3.159 5 40 JGBB CC(=O)Nc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 9641095 CQOXNQDTLROTBK-UHFFFAOYSA-N 453.480 3.435 5 40 JGBB O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9959707 HHQJXNPXYVPTFW-UHFFFAOYSA-N 455.895 3.104 5 40 JGBB CC(C)(C)C(=O)/C=c1\s/c(=C/c2ccsc2)c(=O)n1Cc1cc([N+](=O)[O-])cc2c1OCOC2 33527953 VTNNZBVIYRRANL-ATVHTVHASA-N 486.571 3.019 5 40 JGBB O=C1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 40399401 ZDKAZQGUOFWFMN-CQSZACIVSA-N 454.830 3.140 5 40 JGBB NC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@H](Nc2ccccn2)n2nnc3ccccc32)CC1 59488699 YKRJWZPMRNGKPT-XMMPIXPASA-N 472.509 3.095 5 40 JGBB O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)N1CCCCC1 106756956 BIQUNSAUOWURJA-ZROIWOOFSA-N 454.302 3.406 5 40 JGBB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CC=CC[C@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] 408665199 OPBCJJOMOJOHKU-ORYQWCPZSA-N 489.484 3.317 5 40 JGBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408665938 ZSBOGCKRMKVWMQ-DQRQGCJXSA-N 473.485 3.339 5 40 JGBB CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1C 409156445 SHWGQFHIXMVQFN-LJQANCHMSA-N 484.538 3.287 5 40 JGBB COc1ccccc1N(C[C@H](O)COc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 3111463 QUIOAWVCCJTAJN-SFHVURJKSA-N 458.492 3.239 5 40 JGBB CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 8691239 JUVBGVYPSNAXQA-UHFFFAOYSA-N 476.562 3.224 5 40 JGBB CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)cc1[N+](=O)[O-] 21124651 QKGQFMMJHJASFE-UHFFFAOYSA-N 466.416 3.457 5 40 JGBB COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 102708621 BXGRRDAMTIFNNK-BHIFYINESA-N 473.441 3.433 5 40 JGBB O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 229877108 ZYKKMTQQEOTIMY-UVUJQTEASA-N 455.426 3.461 5 40 JGBB CC(C)(C)CNc1cc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] 4125016 AYSSDGMWLKMKAJ-UHFFFAOYSA-N 477.543 3.472 5 40 JGBB O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1Cc1ccc(F)cc1 8974257 WHZDZLZOGSMDAZ-YKSBVNFPSA-N 466.469 3.304 5 40 JGBB COc1ccc([C@@H](CNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])N(C)C)cc1OC 9616404 LWJFHANYCISKKD-HXUWFJFHSA-N 478.571 3.111 5 40 JGBB CCOC(=O)C1=C(COC(=O)CSc2ccccc2[N+](=O)[O-])NC(=O)N[C@@H]1c1cccs1 10960211 DTJWCVQZTVLCMC-GOSISDBHSA-N 477.520 3.163 5 40 JGBB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 31711060 QUJRGFPCZFHRAP-NSHDSACASA-N 476.338 3.301 5 40 JGBB Cc1cc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 1865173 YQZKYRBHXFSAGO-UHFFFAOYSA-N 494.459 3.347 5 40 JGBB Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)c([N+](=O)[O-])cc1C 8635130 HDGYQLVCJLIUAS-HXUWFJFHSA-N 475.299 3.380 5 40 JGBB CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 9661858 QYDBAFXFVZIVGN-UHFFFAOYSA-N 476.562 3.224 5 40 JGBB C[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)C(=O)Nc1ccccc1[N+](=O)[O-] 13096986 WYYWCABQBBRHRH-SNVBAGLBSA-N 450.427 3.288 5 40 JGBB CC1CCN(c2ccc(C(=O)NC(=S)Nc3ccc(C(=O)O)c(O)c3)cc2[N+](=O)[O-])CC1 20153109 ULYWTBGEBIDCJF-UHFFFAOYSA-N 458.496 3.362 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)c1 408646873 QQAQFPRHPZDERG-UHFFFAOYSA-N 491.305 3.256 5 40 JGBB O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 408672883 OTRRKBHVQSHHFL-ULBZPVTCSA-N 453.454 3.426 5 40 JGBB O=C(O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 9316318 NATCCOPVGBHQHE-NJDAHSKKSA-N 459.414 3.344 5 40 JGBB Cn1cnnc1Sc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 9891966 WUGZYVCENUHNHH-UHFFFAOYSA-N 494.986 3.039 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCN(c3cc(NC[C@@H]4CCCO4)c(F)cc3[N+](=O)[O-])CC2)cc1 12461825 ZVFYWBYZXRBHRF-KRWDZBQOSA-N 478.546 3.144 5 40 JGBB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1 14279310 XWZJTQKZATUVJB-UHFFFAOYSA-N 481.553 3.132 5 40 JGBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c1C 15546164 QSEINJDTMOLFDG-OAQYLSRUSA-N 452.511 3.430 5 40 JGBB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c2)N1 34688699 OAGMADWMPRUXJB-IRLDBZIGSA-N 461.478 3.106 5 40 JGBB biogenic COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223699487 VPZKMFBTOINACF-LEWJYISDSA-N 451.508 3.316 5 40 JGBB Cc1c(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)S(C)(=O)=O)cccc1[N+](=O)[O-] 225169662 RHLOQKNYJKVFIG-UHFFFAOYSA-N 478.552 3.265 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408687660 USJJTTCRJDKOAB-WOJBJXKFSA-N 464.434 3.402 5 40 JGBB Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)n3c(c2n(C)c1=O)[C@@H](c1c[nH]c2ccccc12)OCC3 9348185 FQCMPPRGHHQMNP-HSZRJFAPSA-N 471.473 3.215 5 40 JGBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)N1CCc2ccccc21 9510291 YRUMPBJTBQHZCC-SFHVURJKSA-N 491.953 3.232 5 40 JGBB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)C1 9639561 XRKRVSCIDQDFPD-IRXDYDNUSA-N 488.566 3.020 5 40 JGBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 62645749 FSJMAISRCPOTTG-SCZPIIQISA-N 478.958 3.194 5 40 JGBB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9283858 SNVCKRLKWCPUKU-INIZCTEOSA-N 457.361 3.143 5 40 JGBB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c2ccco2)cc1 9569357 XOWQQSSPNFIREW-NRFANRHFSA-N 490.490 3.159 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408655915 SFOWFGADDJHHDA-COXVUDFISA-N 455.492 3.318 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)cc1 408676617 BAGBIBPFGXPDHJ-QUCCMNQESA-N 477.473 3.185 5 40 JGBB CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2CC)cc1 409128333 ICNPIYZFRISNGW-UHFFFAOYSA-N 484.538 3.266 5 40 JGBB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14269589 MOZNKWMNQXQCCE-UHFFFAOYSA-N 458.496 3.419 5 40 JGBB CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1cccc([N+](=O)[O-])c1 14409843 PNIOVENSTICEEV-UHFFFAOYSA-N 452.540 3.314 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408684137 MWJFFSIOBNLGRZ-UXHICEINSA-N 465.437 3.315 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)c1 408684795 OBUHBQWUBUQPDM-ZTNFWEORSA-N 479.489 3.265 5 40 JGBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1C[C@@H](O)c1ccccc1 1740213 MIYPQWVHOVHLCA-CLCZQPDDSA-N 496.523 3.495 5 40 JGBB biogenic CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccc(OC)cc2[N+](=O)[O-])c1 8692928 XRBVHISOKYLYFV-UHFFFAOYSA-N 471.919 3.305 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O 16000648 HILNBSFOFBPYJF-YDLHNXBPSA-N 480.908 3.296 5 40 JGBB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 16320883 WCNZFHTUIATTPD-UHFFFAOYSA-N 451.917 3.208 5 40 JGBB CCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)C2=O)cc1 18276629 PNTWPESAOVMCAJ-HXUWFJFHSA-N 492.454 3.466 5 40 JGBB CSc1ccc(S(=O)(=O)NCC(=O)OCc2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] 22516829 CHOWKJYAFUGTFL-UHFFFAOYSA-N 486.478 3.083 5 40 JGBB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cc([N+](=O)[O-])ccc1Cl 71980684 MIBBJSGSCWSPGB-IBGZPJMESA-N 459.886 3.166 5 40 JGBB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 408591361 LKJAHVIFLGJPFG-UHFFFAOYSA-N 457.464 3.422 5 40 JGBB CC(C)N1C(=O)CC2(CC[N+](C)(CCOC(=O)[C@@](O)(c3ccccc3)C3CCCCC3)CC2)C1=O 702168 FXFMDVPIGAUOFR-JJMYMTGCSA-N 485.645 3.392 5 40 JGBB O=C(CCc1nnc2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n12)Nc1ccc(Cl)c(Cl)c1 1618372 AADOIMISQIGMMK-SXGWCWSVSA-N 490.328 3.485 5 40 JGBB O=C(Cc1ccccc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 9064487 IMCKHYPGJQJBFZ-UHFFFAOYSA-N 467.595 3.351 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c(-c5ccc([N+](=O)[O-])cc5)nsc34)CC2)cc1 12639873 AGPZYYAPICVVTI-UHFFFAOYSA-N 496.574 3.481 5 40 JGBB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c12 12819056 ZFWQKROGUUVHKJ-CQSZACIVSA-N 473.486 3.276 5 40 JGBB CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@]2(S1)SC(C(=O)OCC)=C(C)N2C 20442448 BHXHUKDPWLYIHU-SFHVURJKSA-N 452.514 3.109 5 40 JGBB CS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1[N+](=O)[O-] 32981839 CGLPUJREKSHIQW-AWEZNQCLSA-N 461.521 3.434 5 40 JGBB Cc1ccc2c(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cccc2n1 57316167 FLWQAIWHRNTSLP-UHFFFAOYSA-N 451.508 3.415 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1cc(OC)cc(OC)c1 100820837 DRUDEJBADSRKLO-NFFVHWSESA-N 490.516 3.165 5 40 JGBB CCCC[C@@H](C(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 408671326 ZCXUKBMHGILWFY-SFHVURJKSA-N 453.451 3.240 5 40 JGBB C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 3395142 WTQTZPOVSJAHKX-CYBMUJFWSA-N 481.914 3.217 5 40 JGBB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 9319696 GUNHTDYJIXNGCI-CALCHBBNSA-N 490.582 3.013 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 12562392 WGLRYWONEQYCIR-UHFFFAOYSA-N 468.535 3.001 5 40 JGBB O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21 15999133 TVQXIVJSTFMHRN-KAOXLYBCSA-N 484.443 3.495 5 40 JGBB O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 48375118 BTKLXCWYAGQTHQ-UHFFFAOYSA-N 471.452 3.352 5 40 JGBB O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1 408672881 OTRRKBHVQSHHFL-MXXWWZHRSA-N 453.454 3.426 5 40 JGBB O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8831494 GWAGODVDUZMYOP-UHFFFAOYSA-N 455.540 3.158 5 40 JGBB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4cccc([N+](=O)[O-])c4C)CC3)CC2=O)cc1 9426615 ITSFYFSMLMYPHT-IBGZPJMESA-N 464.522 3.442 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 10021820 ZXWOEPSWDAGEHQ-UHFFFAOYSA-N 473.507 3.113 5 40 JGBB O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 20154305 BNBMMDJFEFUUNC-UHFFFAOYSA-N 454.487 3.155 5 40 JGBB Cc1nc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1Br 22716829 IKDKTMZSUVRCOP-UHFFFAOYSA-N 480.344 3.024 5 40 JGBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 102076412 IPEGQBFRBNFJRQ-UFRCIXKBSA-N 472.453 3.192 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1cccc2ccccc12)S(C)(=O)=O 223533717 VRAXYFNOSZEJFD-UHFFFAOYSA-N 457.508 3.018 5 40 JGBB CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)C[C@H]1CCS(=O)(=O)C1 9763850 FZLZEGGZMNTAHQ-GFCCVEGCSA-N 452.510 3.263 5 40 JGBB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1cc([N+](=O)[O-])ccc1Cl 13572109 PBHDENQBQJEJNP-QWHCGFSZSA-N 478.983 3.486 5 40 JGBB O=C(NCCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc([N+](=O)[O-])cc1 15981962 VVZYTRRKGMPVKU-UHFFFAOYSA-N 450.417 3.082 5 40 JGBB O=C(NC1CC1)c1ccc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 32869529 VUQXHJCKOQABPP-UHFFFAOYSA-N 498.483 3.017 5 40 JGBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCc1cn(-c2ccccc2)nn1 65593096 ZWLGWOMOHHPIOY-LJQANCHMSA-N 457.874 3.327 5 40 JGBB O=C(Cn1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)c2ccccc21)Nc1ccc2c(c1)OCO2 409338846 PJVHADADFVBBRE-VMPITWQZSA-N 475.417 3.289 5 40 JGBB Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)n3c(c2n(C)c1=O)[C@@H](c1cn(C)c2ccccc12)OCC3 8997639 BHXCIQVNVUPKHZ-XMMPIXPASA-N 485.500 3.225 5 40 JGBB CC(C)C[C@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)N1C(=O)c2ccccc2C1=O 9440127 YYEOEZQGDSAQGH-LJQANCHMSA-N 454.435 3.215 5 40 JGBB COc1ccccc1[C@@H](Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1nccn1C 12550897 NNLNZKJENXHQFF-OAQYLSRUSA-N 471.539 3.323 5 40 JGBB Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)cc1[N+](=O)[O-] 16095165 FSTXHOJJBYWDHZ-UHFFFAOYSA-N 465.553 3.117 5 40 JGBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 35844109 UFBXMWZFKFEGKW-SYSFZUQMSA-N 480.908 3.296 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408662269 XOLNTURFLLIDLZ-YHDSQAASSA-N 461.474 3.174 5 40 JGBB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 9730460 OFNFHDBLPQGUCB-UHFFFAOYSA-N 470.492 3.290 5 40 JGBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1 9740781 KHNUJVKZSOKJPJ-SFHVURJKSA-N 470.912 3.335 5 40 JGBB Cc1cc(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)n1C[C@@H]1CCCO1 13778362 LNFAPJSDWDCKTD-IBGZPJMESA-N 471.510 3.068 5 40 JGBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCN(C(=O)C4CCCC4)CC3)c([N+](=O)[O-])c2)C1 32912494 FEOHKMREFWDURX-GOSISDBHSA-N 478.615 3.244 5 40 JGBB Cc1c(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)cccc1[N+](=O)[O-] 3594211 QWFFROBVWQMHLV-IBGZPJMESA-N 461.272 3.071 5 40 JGBB O=C(Oc1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1)c1cccc(Br)c1 108921785 ZUQYWSVBCCXTCM-RMKNXTFCSA-N 458.224 3.124 5 40 JGBB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)cc3)C(=O)[C@H]12 408655952 DSKOUYJHVOFAMK-IHJXWSBQSA-N 489.484 3.400 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408657484 UIDGRMKMIMAGMS-XMCHAPAWSA-N 494.460 3.164 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 408681340 HVANLHRPOMPLCW-QZTJIDSGSA-N 465.462 3.019 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408687450 ULMUZGOXAMYZBU-MOPGFXCFSA-N 464.434 3.402 5 40 JGBB CCOC(=O)C1=C(C)N2C(=N[C@H]1c1cccc([N+](=O)[O-])c1)NC(=S)N[C@H]2c1cccc([N+](=O)[O-])c1 2033970406 RNBAXTSAHSGYTK-RBUKOAKNSA-N 496.505 3.229 5 40 JGBB O=C(COC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)c1cccc([N+](=O)[O-])c1 2062994 AUDOSDRWJOKOEH-UHFFFAOYSA-N 475.369 3.343 5 40 JGBB CC(C)(C)NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc12 2478049 DKLLBHHZFWKZLS-UHFFFAOYSA-N 466.581 3.100 5 40 JGBB CCN(CC)c1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 9210883 RTYFHBKMMBYFDK-UHFFFAOYSA-N 487.520 3.097 5 40 JGBB CN(C(=O)CSc1nc(-c2cccc([N+](=O)[O-])c2)cn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 9635281 ACIYYLWVSCUYEQ-IBGZPJMESA-N 486.575 3.185 5 40 JGBB CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1C 9984511 WBEQCBJXOWDGPQ-OAHLLOKOSA-N 463.512 3.118 5 40 JGBB Cc1ccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c(C)c1 224861948 BYZCLABWMWDKEK-UHFFFAOYSA-N 463.556 3.261 5 40 JGBB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 408663699 BERPMPDGRRJERO-QGZVFWFLSA-N 483.477 3.087 5 40 JGBB COC(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c(F)cc1F 12938338 PPZAPFVAINMIJA-UHFFFAOYSA-N 497.476 3.007 5 40 JGBB Nc1nc(CN2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)nc(Nc2ccc(F)cc2)n1 14925344 UEFUDALSJRJYOT-UHFFFAOYSA-N 458.885 3.220 5 40 JGBB C[C@@H](OC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-])C(=O)N[C@H]1CCCc2ccccc21 16319130 OSLGKUZHNGTKFO-IERDGZPVSA-N 453.495 3.171 5 40 JGBB CCCOC(=O)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 22708237 LQRCWTKFVGMPDG-UHFFFAOYSA-N 472.523 3.125 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@H]2C1=O 408683846 MIGNTUFCDLWDOP-IYBDPMFKSA-N 452.423 3.236 5 40 JGBB CCOC(=O)C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1cccc([N+](=O)[O-])c1 8834666 WFJHBUUHGLFODV-QGZVFWFLSA-N 455.379 3.034 5 40 JGBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1C[C@@H](O)c1ccccc1 15956228 MIYPQWVHOVHLCA-OASJLCFRSA-N 496.523 3.495 5 40 JGBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)O[C@H](C(=O)N1CCCC1)c1ccccc1 19431471 YBRQJHIFUNNHBU-NRFANRHFSA-N 453.451 3.190 5 40 JGBB O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 21357073 VRBSHOLKSMABKG-UHFFFAOYSA-N 454.361 3.249 5 40 JGBB CC1CCC(NS(=O)(=O)c2ccc(N[C@H](C)C(=O)NC3CCCC3)c([N+](=O)[O-])c2)CC1 48361971 ZXDYXWXHCLNATE-ISXOHVOVSA-N 452.577 3.311 5 40 JGBB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(-c3cccc([N+](=O)[O-])c3)o1)[C@H]1C(=O)c3ccccc3C1=N2 105512824 HXELXXMDQDOSIH-VQTJNVASSA-N 482.452 3.331 5 40 JGBB C[C@]1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1=O 8888794 MKCHQZXEANQPRZ-GOSISDBHSA-N 481.690 3.416 5 40 JGBB O=C(N[C@@H](Cc1ccccc1)C(=O)O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 9031819 DBMVHOIRWKBMNQ-CIPTZOQDSA-N 459.458 3.178 5 40 JGBB COC(=O)c1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1N1CCOCC1 9907759 GEOBGULXIGNFRT-UHFFFAOYSA-N 468.510 3.461 5 40 JGBB CC1CCN(c2ccc(C(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CCC4)cc2[N+](=O)[O-])CC1 10210028 ADWOKYDRXGYWFF-UHFFFAOYSA-N 486.550 3.276 5 40 JGBB COc1cc([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 12361801 YFZSLDQQZYPNTI-OAQYLSRUSA-N 473.507 3.216 5 40 JGBB CC(C)(C)NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1Cl 16043470 NNRZAFGEVBPOIT-UHFFFAOYSA-N 469.903 3.121 5 40 JGBB Cc1onc(C(=O)Nc2cccc(Cn3cc(Br)cn3)c2)c1Cn1cc([N+](=O)[O-])cn1 22743591 UEQKJWLNKVEAPE-UHFFFAOYSA-N 486.286 3.396 5 40 JGBB O=C(COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1)N1CCOCC1 225506228 XKGSCFGRIPORJV-UHFFFAOYSA-N 453.495 3.283 5 40 JGBB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 408655124 HKPZDSMKBBZIAV-KRWDZBQOSA-N 483.477 3.087 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408687455 ULMUZGOXAMYZBU-RTBURBONSA-N 464.434 3.402 5 40 JGBB CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1[C@@H](C)NC(=O)c1ccccc1 409137696 YGVLSBNNFPTEEK-CQSZACIVSA-N 484.538 3.437 5 40 JGBB COC(=O)c1ccc(NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 409312994 AGTRNBCFXPJCQE-UHFFFAOYSA-N 469.475 3.215 5 40 JGBB COC[C@@H](C)NS(=O)(=O)c1ccc(N2CCCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 9516694 QBFYEQPZBGAQIA-QGZVFWFLSA-N 497.017 3.274 5 40 JGBB Cn1cnnc1Sc1ccc(C(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)cc1[N+](=O)[O-] 9670792 MYQCTTYVPZCEHN-UHFFFAOYSA-N 498.546 3.180 5 40 JGBB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 12597922 TXEQEZQQINXXBL-HXUWFJFHSA-N 471.491 3.345 5 40 JGBB COC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 26770704 ZKGXQUNSOBZMOU-IMEWXKHHSA-N 477.542 3.440 5 40 JGBB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 59410292 JVEWLFXQCRLVCY-NMVSFQQOSA-N 455.555 3.244 5 40 JGBB biogenic Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21 102892023 SNEZOXROAPVRQK-FLFXDLLNSA-N 480.908 3.296 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 111477432 LAGLISCEBUHUMU-CNEDASOKSA-N 481.530 3.423 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 138772982 DTFGILJKEXQMLT-IRXDYDNUSA-N 452.423 3.236 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408642773 FEKVAFXTLIFSOX-JSNMRZPZSA-N 494.460 3.164 5 40 JGBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCSCc1ccco1 408923423 COJAEKIUXPSTCN-UHFFFAOYSA-N 475.548 3.433 5 40 JGBB O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9127612 DHVDECQMQDANPW-UHFFFAOYSA-N 457.867 3.189 5 40 JGBB CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3)nn12 9142264 AXJWIEXGNAMREV-UHFFFAOYSA-N 467.536 3.128 5 40 JGBB O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)Nc1cc([N+](=O)[O-])ccc1F 12569370 AIPACVAVRQPUKO-XMMPIXPASA-N 462.437 3.362 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O 20463149 HILNBSFOFBPYJF-UAKAABGRSA-N 480.908 3.296 5 40 JGBB N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1 101150805 ICZIMPKGEXHIPI-UHFFFAOYSA-N 467.504 3.440 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N\C(=O)c1cccs1 101175248 AZJSROGLQIWJBR-QYQHSDTDSA-N 494.573 3.444 5 40 JGBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O 102748141 HZOKNNUDXLLVKD-BHIFYINESA-N 479.420 3.499 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1ccc(CN2CCCCC2)cc1)S(C)(=O)=O 224528856 CSPNZHCWEHBNMU-IBGZPJMESA-N 488.610 3.360 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408684141 MWJFFSIOBNLGRZ-WOJBJXKFSA-N 465.437 3.315 5 40 JGBB CCn1c(SCC(=O)Nc2ccccn2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409145051 QXBYXTZVDKXOBH-LJQANCHMSA-N 483.554 3.459 5 40 JGBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2cccc(C(=O)O)c2)n[nH]1 409159736 WUZDSTCVHMEOCU-GOSISDBHSA-N 498.521 3.269 5 40 JGBB COc1ccc(CCn2c(=N)c(S(=O)(=O)c3ccccc3)cc3c(=O)n4ccccc4nc32)cc1 2374239 FHGQMLBDXOXDRK-UHFFFAOYSA-N 486.553 3.213 5 40 JGBB COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 3849452 QFXTYQMAILAPSB-FQEVSTJZSA-N 461.474 3.175 5 40 JGBB biogenic COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 22001658 BKPRDCOJNVCBQK-UHFFFAOYSA-N 463.878 3.193 5 40 JGBB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 32927320 YFCOLKNJOJURSQ-SJORKVTESA-N 450.499 3.351 5 40 JGBB CNC(=O)[C@H](Nc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-])c1ccccc1 40155590 MBFSOSBOMJJUKF-AEJJIKPWSA-N 460.556 3.351 5 40 JGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 1110033 ARLXWFDPHDPOQH-UHFFFAOYSA-N 450.451 3.168 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 9634422 GYDUIGCFJAHNFH-SLMZUGIISA-N 458.518 3.402 5 40 JGBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1[N+](=O)[O-] 16449264 ZPELZEKRPCXQDF-UHFFFAOYSA-N 483.428 3.359 5 40 JGBB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223076128 JNQYAAFRMKHPGM-CQSZACIVSA-N 494.342 3.298 5 40 JGBB CCOC(=O)C[C@H](Sc1nnc(-c2ccncc2)n1CC)C(=O)Nc1cccc([N+](=O)[O-])c1 6878535 DQBWTSQNZBHBEJ-KRWDZBQOSA-N 470.511 3.321 5 40 JGBB O=C(CSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1)Nc1ccc2c(c1)OCCO2 9600092 KSMHNGGWNMRZMQ-UHFFFAOYSA-N 473.492 3.201 5 40 JGBB CC[C@@H](C)N(C(=O)COc1ccc([N+](=O)[O-])cc1-c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 13114346 TUZCTCLDRNQQIT-VQIMIIECSA-N 476.551 3.463 5 40 JGBB CN1CCN(CCNc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 31784678 UIIKLLXDSWSCCG-JOCHJYFZSA-N 475.615 3.072 5 40 JGBB COC1=C[C@@H](C(c2c(O)n[nH]c2C)c2c(O)n[nH]c2C)CC=C1OC(=O)c1cccc([N+](=O)[O-])c1 408922968 OOZJRHBVTYKQHU-ZDUSSCGKSA-N 481.465 3.492 5 40 JGBB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1 409339477 IRSSHHGTIMHWFW-UHFFFAOYSA-N 454.512 3.252 5 40 JGBB COCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2oc3ccccc3c(=O)c2c1=O 2212917 QYDCHBFZFNGTCY-UHFFFAOYSA-N 452.463 3.232 5 40 JGBB Cc1cc(C(=O)OCC[C@H]2CCCCN2C2=NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] 3583405 OZEOXSLYMDLCBD-QGZVFWFLSA-N 457.508 3.454 5 40 JGBB COc1ccc(Cn2nnnc2[C@@H](C(C)C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 13504890 RYOZZUFKEGXWID-JOCHJYFZSA-N 451.531 3.158 5 40 JGBB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] 32127432 AVNABDQNQXUCAN-UHFFFAOYSA-N 499.593 3.425 5 40 JGBB Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3CCCN32)cc1 36329055 XMUPEQLYMANZPM-VBSBHUPXSA-N 453.882 3.392 5 40 JGBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1 223154253 HJWFJJDCOYMEEE-DHIUTWEWSA-N 478.578 3.085 5 40 JGBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1 223197264 OWAZLKHOGFXFCY-RPWUZVMVSA-N 492.605 3.475 5 40 JGBB Cc1c(N(CC(=O)Nc2nnc(SCc3ccccc3)s2)S(C)(=O)=O)cccc1[N+](=O)[O-] 225744817 LTPOCGLRTVBZSS-UHFFFAOYSA-N 493.592 3.452 5 40 JGBB CC1CCN(c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])CC1 9441396 RNKAZJUTFPMHQU-UHFFFAOYSA-N 455.467 3.398 5 40 JGBB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc2)C[C@@H](C)O1 10899205 IYDYIDDJSUHETJ-HUUCEWRRSA-N 481.958 3.318 5 40 JGBB Cc1cc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c([N+](=O)[O-])cc1C 12565182 FYBFCDBRMTXIGU-QFIPXVFZSA-N 452.511 3.430 5 40 JGBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2nc(O)c3cnn(-c4ccc(Cl)cc4)c3n2)n1 17011722 DXRUNDOFJFMKGN-UHFFFAOYSA-N 480.828 3.422 5 40 JGBB CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 57316413 NDWBLPJGQIIDID-UHFFFAOYSA-N 469.567 3.416 5 40 JGBB Cc1cc(C)cc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@H]43)C2=O)c1 102780805 SQORGOSFASGLRC-PMATZYIGSA-N 478.505 3.019 5 40 JGBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(OC(=O)c2ccco2)cc1 408657002 TVVJMFJPOBYQHM-INIZCTEOSA-N 478.413 3.186 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408678110 CPAAHHBVVBAOKD-HDICACEKSA-N 450.407 3.012 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408689021 XPQORONMZNZDBP-OALUTQOASA-N 464.434 3.402 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 409109413 DHRPUQQXKLVDQR-UHFFFAOYSA-N 486.462 3.346 5 40 JGBB COc1ccc(CNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 6973592 DHUOLEFUCQOYBU-UHFFFAOYSA-N 455.492 3.115 5 40 JGBB CS(=O)(=O)N(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9373252 WUHUYVHWFDPXHW-UHFFFAOYSA-N 469.722 3.166 5 40 JGBB O=C(NCCc1cccs1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 12754076 RXSASXXMYOFWCE-UHFFFAOYSA-N 457.961 3.069 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408654941 CAYAHSIMBKPJEJ-YIFZBPKDSA-N 477.473 3.400 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3CCC[C@@H]3[C@@H]2C1=O 9487043 ZKVONUSPGCQWCG-MDNKFWRPSA-N 469.881 3.092 5 40 JGBB COc1cc(OC)cc([C@@H](NC(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)c2nccn2C)c1 22470531 RNERTRZBPYQCKA-TWKPZUECSA-N 480.477 3.131 5 40 JGBB O=C1C[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 40399398 NUBGHBFODVFPAE-LBPRGKRZSA-N 454.830 3.140 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1cccc(F)c1 101176613 RIBCWGBRDAYNAN-SLMZUGIISA-N 462.481 3.362 5 40 JGBB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408653977 QGTFEVPONQAXOR-XIUCYOPRSA-N 489.484 3.039 5 40 JGBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1cc(Cl)ccc1Cl 408668244 VFENAWHGLAEFGP-NSHDSACASA-N 452.250 3.436 5 40 JGBB Cc1cc(Cl)c2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21 35851708 USJBZSAYAXICMV-PLOUGOBLSA-N 480.908 3.296 5 40 JGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)Nc1cccc([N+](=O)[O-])c1 138546295 HSYQDSLWUFBWEN-LLVKDONJSA-N 452.250 3.436 5 40 JGBB O=C(/C=C/c1ccco1)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16430047 JOAHJEKKXUZPDM-GQCTYLIASA-N 454.430 3.443 5 40 JGBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)O 21345367 YZGDQWMKIBNAIW-GRSHGNNSSA-N 486.458 3.376 5 40 JGBB CN(C)[C@H](CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1c(F)cccc1Cl 32983725 IJBMPUWDYOSKMJ-LJQANCHMSA-N 450.898 3.257 5 40 JGBB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2c(ccc3ccccc32)oc1=O 38711075 ZGAMIVNWLRLULR-UHFFFAOYSA-N 464.499 3.219 5 40 JGBB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 223699746 OOVMOMZWCRZFRC-NHCUHLMSSA-N 451.508 3.316 5 40 JGBB O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ncc(C(F)(F)F)cc1Cl 3286402 PTXZSMQMLMGMGG-UHFFFAOYSA-N 495.197 3.227 5 40 JGBB O=C(OCC(=O)N1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 9562156 CSNAHFMZUMUFFM-UHFFFAOYSA-N 467.522 3.070 5 40 JGBB O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 34720443 RITBVJJQYDAJNQ-UHFFFAOYSA-N 481.914 3.059 5 40 JGBB O=C(OCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 40161681 ZAQROFCYKZTIQT-UHFFFAOYSA-N 478.383 3.044 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 408690163 ZWDLJMAAUSQKHO-JSNMRZPZSA-N 464.434 3.258 5 40 JGBB CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1 409165162 UCNACJRQNMCPQQ-HNNXBMFYSA-N 498.565 3.100 5 40 JGBB CC1=C[C@@H]2[C@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2c2ccccc21 8993003 DRNYDDWCKMAVEX-DEMACUESSA-N 487.512 3.232 5 40 JGBB Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 9382008 PJEDAZIUDPMPPZ-UHFFFAOYSA-N 464.507 3.052 5 40 JGBB COc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1OC 16227209 ZSFPLZFZCRMNJU-UHFFFAOYSA-N 498.483 3.468 5 40 JGBB COc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] 16227680 IOJTWBBWOBJBJE-UHFFFAOYSA-N 454.361 3.493 5 40 JGBB CN(C)C(=O)COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 19295349 CZQNHTOQTITOPC-UHFFFAOYSA-N 483.502 3.147 5 40 JGBB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 22707631 JCDQFBDIHCARCV-UHFFFAOYSA-N 471.539 3.297 5 40 JGBB CN1CCN(S(=O)(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1 34863287 GDFRSCUWZCLXNA-UHFFFAOYSA-N 450.567 3.292 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1 62163513 KBJAIUCNFPUPDG-UHFFFAOYSA-N 451.487 3.051 5 40 JGBB CCOC(=O)C1=C(CN2CCN(c3ccc(Cl)cc3)CC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 67286385 VCEQXBKFVCWFIH-JOCHJYFZSA-N 499.955 3.242 5 40 JGBB Nc1c(C(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc(F)cc1[N+](=O)[O-] 78724107 FFQAGEAEIDDNMN-QGZVFWFLSA-N 456.396 3.138 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(C)c2c(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]c12 100977121 MXKQGOFYUIIBMH-UHFFFAOYSA-N 453.842 3.140 5 40 JGBB O=C(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 408669532 HLPDDVNDJITISR-SNDHGLFQSA-N 453.454 3.426 5 40 JGBB COc1cc2nc3c(NS(=O)(=O)c4ccccc4)nc4ccccc4n3c(=O)c2cc1OC 2401570 IWIOBWRGTFYUEW-UHFFFAOYSA-N 462.487 3.214 5 40 JGBB O=C(COC(=O)[C@@H]1CCCN1C(=O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9630378 HOUDQBYSNDEUOZ-AWEZNQCLSA-N 471.413 3.462 5 40 JGBB O=C(N[C@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 26841632 VQDVFLSYKFJCOM-XEKQOVJPSA-N 485.755 3.302 5 40 JGBB biogenic CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccc(OC)c(OC)c1 101176482 QKDYHJTUYNKMRU-NFFVHWSESA-N 490.516 3.165 5 40 JGBB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)n1 257262085 LJZMBTUJAHLQRU-MRXNPFEDSA-N 469.933 3.374 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC(c1ccccc1)c1ccccc1)S(C)(=O)=O 408622697 QNUMNSYTZVKAHZ-UHFFFAOYSA-N 469.519 3.275 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]12 408666658 RLRKTYHRGRQJAJ-MMACOIQUSA-N 463.446 3.092 5 40 JGBB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 8824352 OBWXCDPURBFRFE-SCLBCKFNSA-N 483.930 3.122 5 40 JGBB Cc1ccc(S(=O)(=O)CCC(=O)N(CCN(C)C)c2nc3ccc([N+](=O)[O-])cc3s2)cc1 9707943 NQIIUIRLLHMPMB-UHFFFAOYSA-N 476.580 3.272 5 40 JGBB CCOC(=O)c1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1N1CCOCC1 9907791 DOKSWZFBLVXKGY-UHFFFAOYSA-N 468.510 3.461 5 40 JGBB CNS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 12772778 DHEWBVUHBYFWAE-UHFFFAOYSA-N 486.472 3.377 5 40 JGBB CCOc1ccc(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c([N+](=O)[O-])c1 14359438 PIKQIBVNUUBZFP-UHFFFAOYSA-N 474.473 3.428 5 40 JGBB CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)CC(=O)Nc1ccccc1C(F)(F)F 32856097 QSPHATJHUINCSX-UHFFFAOYSA-N 482.415 3.284 5 40 JGBB CC(=O)N1CCN(c2ccc(C(=O)NC[C@H](c3cccc(Cl)c3)N3CCCC3)cc2[N+](=O)[O-])CC1 71892161 BOLPGMMVXVLHNE-XMMPIXPASA-N 499.999 3.484 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccccc1OC 101176451 WUOKFXYBXBJIIH-QYQHSDTDSA-N 460.490 3.157 5 40 JGBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 102076415 QDXSVDXSTOSPTG-IQOSAITKSA-N 472.453 3.192 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(OCC)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 408572031 GFKIFSLXYIBIOB-UHFFFAOYSA-N 472.454 3.041 5 40 JGBB O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1)C(c1ccccc1)c1ccccc1 408737730 OGGKWFODJARFSU-XMMPIXPASA-N 473.529 3.313 5 40 JGBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)NC2CCCCC2)n[nH]1 409153967 OEZLIGYZBUBTAA-GOSISDBHSA-N 460.560 3.381 5 40 JGBB COCCN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)C1=O 409217129 SDGARMITWQFTQC-ATVHPVEESA-N 494.503 3.054 5 40 JGBB O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12)Nc1ccc([N+](=O)[O-])cc1 9519817 UDPALQJKWVACPX-UHFFFAOYSA-N 498.561 3.365 5 40 JGBB CC1CCN(c2nnc(SC[C@@H](O)COc3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCO2)CC1 32888263 PBOMUAMRZHTUCH-AZUAARDMSA-N 477.587 3.134 5 40 JGBB Cc1ccc2nc3c(cc(S(=O)(=O)c4ccc(Cl)cc4)c(=N)n3Cc3cccnc3)c(=O)n2c1 100707555 PBHBVIZMQCGTBX-UHFFFAOYSA-N 491.960 3.367 5 40 JGBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)c1ccc([N+](=O)[O-])cc1 409358966 UZUVJFRISUQIQA-NDENLUEZSA-N 498.473 3.259 5 40 JGBB Cc1ccc(CN(C)C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c(C)c1 9646912 UGZRFXTYDFUWGE-UHFFFAOYSA-N 461.540 3.034 5 40 JGBB O=C(Nc1ccn(Cc2ccccc2F)n1)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36618921 LRPXCCGJWHAZIU-UHFFFAOYSA-N 458.413 3.336 5 40 JGBB CC1CCN(S(=O)(=O)c2ccc(N3CCC(N4C[C@H](C)O[C@@H](C)C4)CC3)c([N+](=O)[O-])c2)CC1 40135269 QNAFJEYICZMRNU-OALUTQOASA-N 480.631 3.093 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 408685636 POWRGSCVSBKIRV-WIBUTAKZSA-N 464.434 3.258 5 40 JGBB Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)c1C 9430897 YCCGVXCMFMUAAV-PGBRFTPDSA-N 478.505 3.019 5 40 JGBB CCN(C(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 12529982 PUPGOJDVUZISOP-KRWDZBQOSA-N 492.554 3.201 5 40 JGBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 13528076 DZMOVAXTLFHSDJ-JTQLQIEISA-N 455.345 3.325 5 40 JGBB O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 14862698 YIIZPDOLRSSZBM-UHFFFAOYSA-N 453.236 3.288 5 40 JGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(Cl)cc1Cl 408671821 UZKBBEQBGHDNTF-LLVKDONJSA-N 452.250 3.436 5 40 JGBB CC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)o2)cc1 9518647 YVVLWUZCDWCPNA-UHFFFAOYSA-N 469.479 3.150 5 40 JGBB CSc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1[N+](=O)[O-] 12763110 LQIAZYFKNLBUES-UHFFFAOYSA-N 475.592 3.342 5 40 JGBB CCOC(=O)c1sc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)c(C(=O)OCC)c1C 35376269 JETRBOLPPOVTGQ-UHFFFAOYSA-N 453.498 3.444 5 40 JGBB Cc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CCCOC(C)C)c2=N)cc1 101117485 BBYLOKDFGSLIQV-UHFFFAOYSA-N 473.577 3.491 5 40 JGBB O=[N+]([O-])c1cccc([C@@H]2c3c(-c4ccc(Br)cc4)nnc(O)c3Nc3nnnn32)c1 111999823 KIOHQFXLVDZVQS-MRXNPFEDSA-N 467.243 3.201 5 40 JGBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 408605543 LZRKNBQKAMFTKL-HWKANZROSA-N 496.520 3.439 5 40 JGBB Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 408688703 WXVBXYYBCIXFDK-SFHVURJKSA-N 461.478 3.389 5 40 JGBB COC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)sc2c1CC[C@H](C)C2 845125 VCSUEJQZLLYXAB-QMMMGPOBSA-N 471.333 3.474 5 40 JGBB CCOC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(=O)OCC)c1C 1940194 CJMKTTHKDBKFDC-UHFFFAOYSA-N 451.413 3.479 5 40 JGBB Cc1nn(-c2ccccc2)c(C)c1Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 9368301 RXAWQDQXRUJSSL-UHFFFAOYSA-N 457.512 3.162 5 40 JGBB CCNc1nc(Sc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])nc2ccccc12 14245192 BXJUXUMVCOOZOB-UHFFFAOYSA-N 488.595 3.057 5 40 JGBB N=c1oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 20478526 WEMKRHYMWHAEGR-UHFFFAOYSA-N 471.476 3.330 5 40 JGBB COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 21281917 PBCVUFRDAHBQEL-UHFFFAOYSA-N 451.460 3.494 5 40 JGBB COc1cc(OC)cc([C@H](NC(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)c2nccn2C)c1 22470536 RNERTRZBPYQCKA-ZDUIWUOISA-N 480.477 3.131 5 40 JGBB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 138571436 CZTTWVGFVDWAJD-KRWDZBQOSA-N 483.477 3.087 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408688116 VTBMMNSUXKQQJB-RTBURBONSA-N 450.407 3.012 5 40 JGBB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 971812 HDKXSFDZYFPGOF-HXUWFJFHSA-N 458.426 3.228 5 40 JGBB COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8707084 KOMSMOCQIITCFV-MRXNPFEDSA-N 455.389 3.022 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 21763165 UDNGYFLDUMGUJY-UHFFFAOYSA-N 482.415 3.416 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1ccccc1[N+](=O)[O-] 100820862 DHVVBYBYUGIRMM-QYQHSDTDSA-N 489.488 3.131 5 40 JGBB Cc1ccc2nc3c(cc(C(=O)N[C@H](C)c4ccccc4)c(=N)n3C[C@@H]3CCCO3)c(=O)n2c1 15952814 JDVUJVYSVMTVON-MJGOQNOKSA-N 457.534 3.107 5 40 JGBB CCN1CCN(c2c(Cl)cccc2NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 20969053 ZGBRMDNPUJZXTE-UHFFFAOYSA-N 473.961 3.479 5 40 JGBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])c(Br)cc1OC 408567814 RLCGTBHCZLKFAM-YLBKPBPJSA-N 476.327 3.425 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)cc1 408678880 DPSJHKRHFZPPHD-RVHYNSKXSA-N 479.489 3.265 5 40 JGBB CCCc1ccc(N[C@H]2CC[C@@H](C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]2O)cc1 2037873437 KAFLFKYKJTXBNG-WTNAPCKOSA-N 475.567 3.384 5 40 JGBB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1C 2658864 MWCUGCYBXKZPSV-UHFFFAOYSA-N 487.494 3.036 5 40 JGBB CCc1nnc2sc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nn12 9192643 NCPVNMVEUSWWGG-UHFFFAOYSA-N 479.522 3.412 5 40 JGBB COc1cc(N2C[C@H](C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)CC2=O)cc(OC)c1OC 44790720 FFSVNKZMKHMWNY-LLVKDONJSA-N 472.479 3.222 5 40 JGBB COc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C(=O)NCC(C)C)cc1 224478564 SCSRACBKOJJDGJ-QGZVFWFLSA-N 473.526 3.180 5 40 JGBB CCOc1c(Br)cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC 408565403 KJIPXVNCOBNORD-DFJMNXOESA-N 476.327 3.425 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 408686562 RWAUYNWVIPOONT-KDURUIRLSA-N 452.423 3.236 5 40 JGBB COc1cc(-c2nnn(CC(=O)Nc3ccccc3[N+](=O)[O-])n2)ccc1OCc1ccccc1 6906980 GRHNIGJOBMYPBT-UHFFFAOYSA-N 460.450 3.475 5 40 JGBB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3cc([N+](=O)[O-])ccc3Sc3nnnn3C)c2C)no1 9125932 ILWAEGKQDGYMOR-UHFFFAOYSA-N 497.493 3.013 5 40 JGBB Cc1sc2ncnc(Oc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])c2c1C 9662292 NOWAENGPIVXOKU-UHFFFAOYSA-N 450.498 3.030 5 40 JGBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CCN(C(=O)c2ccco2)CC1 12545831 GLELYMGXOIGIPB-UHFFFAOYSA-N 469.420 3.223 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSCc1cccc(Cl)c1)S(C)(=O)=O 14154380 VKPOIZLMLXZOJB-UHFFFAOYSA-N 487.987 3.072 5 40 JGBB COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 18193378 PRDJUGWKWSACQP-WZYRSQIMSA-N 475.501 3.090 5 40 JGBB CCOC(=O)c1c(NC(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)sc2c1CC[C@@H](C)C2 23291548 QJUUMTKXGLMSBR-LLVKDONJSA-N 490.490 3.482 5 40 JGBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(Cl)c([N+](=O)[O-])c3)c2=O)=N1 409037591 DFBXHRVJISGXKH-JKALPCAWSA-N 483.933 3.360 5 40 JGBB COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 3849468 FHIZSEDLNBCBJO-FQEVSTJZSA-N 461.474 3.175 5 40 JGBB biogenic CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C)nc2[N+](=O)[O-])ccc1C 9469222 JTIMSSRPAOQURU-HNNXBMFYSA-N 450.517 3.043 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 14397334 IOXBHNVFVNVKJF-UHFFFAOYSA-N 453.542 3.269 5 40 JGBB Cc1ccc(-c2noc(CN3CCN([C@H](C)C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 32892810 ASUHOIXATMESLA-QGZVFWFLSA-N 450.499 3.098 5 40 JGBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccccc3)C2=O)o1 108927256 ZDEGPHMRKKVDEJ-ATVHPVEESA-N 491.412 3.287 5 40 JGBB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)N(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)ccc21 225115835 MTBPRGJUKKGYKA-CYBMUJFWSA-N 478.552 3.093 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(F)cc1 408643126 FOTBPRLDEXUMIA-LRGYGIHKSA-N 465.437 3.005 5 40 JGBB CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408671130 SWPWQDBHBLPVRS-QGZVFWFLSA-N 483.477 3.005 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2C)CC1=O 408672809 XDKHKQZLLYHBKX-ZDUSSCGKSA-N 461.858 3.100 5 40 JGBB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 409348868 PSSWSYSNXSYYFR-UHFFFAOYSA-N 490.929 3.046 5 40 JGBB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4cc([N+](=O)[O-])ccc4F)CC3)CC2=O)cc1 9426610 QNUNGEKLJFUKBQ-QGZVFWFLSA-N 468.485 3.273 5 40 JGBB Cc1nn(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1S(=O)(=O)N1CCc2ccccc21 9460418 ZSABPTUNCUNPPX-UHFFFAOYSA-N 489.941 3.452 5 40 JGBB COc1ccccc1OCCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 9662317 NDLTXXWWEJDXPN-UHFFFAOYSA-N 453.245 3.317 5 40 JGBB Cc1ccc(NS(=O)(=O)c2ccc(NCCCN3CCC(O)CC3)c([N+](=O)[O-])c2)c(C)c1 40152821 JKMZDOPHQLOORF-UHFFFAOYSA-N 462.572 3.271 5 40 JGBB COC(=O)c1c(NC(=O)c2noc(C)c2Cn2nc(C)c([N+](=O)[O-])c2C)sc2c1CCC2 8782542 ZPESKPPPZPCRCH-UHFFFAOYSA-N 459.484 3.342 5 40 JGBB Cc1cc(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)n1C[C@H]1CCCO1 13778366 LNFAPJSDWDCKTD-LJQANCHMSA-N 471.510 3.068 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)/C=C/c1ccccc1 101176747 JIBMNWBPZYVQIC-NGUSXGKVSA-N 486.528 3.003 5 40 JGBB COC(=O)c1cn(C(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c2ccccc12 222638068 VNHAOBQTFDOSCX-UHFFFAOYSA-N 489.506 3.231 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(O[C@H](C(=O)N2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 9478100 NHZONBQIBAGWKU-NRFANRHFSA-N 461.540 3.368 5 40 JGBB Cc1cc(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)n1CC(F)(F)F 16045563 KWBCDSZIBBDDJC-UHFFFAOYSA-N 469.416 3.452 5 40 JGBB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 22707643 SMCUPUXPYBLHBK-UHFFFAOYSA-N 471.539 3.153 5 40 JGBB CCOc1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 28436059 BOIGQTNKGWDVNI-SFHVURJKSA-N 463.512 3.184 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2cnc3ccccc3c2)CC1 12543292 LKQSHPILEPZIST-UHFFFAOYSA-N 454.508 3.491 5 40 JGBB COCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1c3ccccc3C(C)=C[C@H]21 96318482 RXMKFCDYQNGMFF-BXXSPATCSA-N 475.501 3.090 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408654930 CAYAHSIMBKPJEJ-LYLBAIIYSA-N 477.473 3.400 5 40 JGBB CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 409366654 UCBRHALCKBFYPQ-UHFFFAOYSA-N 472.502 3.315 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc2ccccc12 6488974 OHPKGWLGQJNABS-OOIVEFLKSA-N 489.509 3.453 5 40 JGBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1cccc(F)c1 21149791 VLFSLUKXTWTDMB-QGZVFWFLSA-N 483.905 3.421 5 40 JGBB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 71980632 KTUKEBABIXSWAM-IBGZPJMESA-N 459.886 3.166 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)c1 408682885 KGBQXMCCZOXTGN-RVHYNSKXSA-N 479.489 3.265 5 40 JGBB COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 2084997 SQGOFCDMRONKAT-UHFFFAOYSA-N 463.493 3.205 5 40 JGBB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)OCc3cccc([N+](=O)[O-])c3)ccc2Cl)C[C@H](C)O1 9546024 LQKKNDJLZJYNSY-KBPBESRZSA-N 468.915 3.403 5 40 JGBB COc1ccc(NC(=O)C2=C(C)Nc3nc(CCCO)nn3[C@H]2c2ccccc2[N+](=O)[O-])cc1 9637235 NNNCAZKQLDYNTB-NRFANRHFSA-N 464.482 3.047 5 40 JGBB O=C(Nc1nnc(C2CC2)s1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9714788 KBVZONFJJWLAAZ-UHFFFAOYSA-N 471.948 3.017 5 40 JGBB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1Cl 9974698 AZQTYLBWNGAYNA-CYBMUJFWSA-N 453.904 3.296 5 40 JGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1ccc(-n2ccnc2)cc1 20458165 UGSWDFMZXGXMAJ-UHFFFAOYSA-N 491.529 3.292 5 40 JGBB CSc1nnc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)s1 223168702 AUDWWOCKJRQFIP-UHFFFAOYSA-N 465.538 3.002 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)cc1 408656932 SYXWRCKYWQRXJM-RTWAWAEBSA-N 477.473 3.185 5 40 JGBB CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 8902613 IKYUXQIGPWKDCX-UHFFFAOYSA-N 474.539 3.356 5 40 JGBB O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CC[N+]4(CCCC4)CC3)c([N+](=O)[O-])cc2c1=O 9477558 OHVZRLSDNKPEEQ-UHFFFAOYSA-O 467.477 3.167 5 40 JGBB Cc1cccnc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409167669 JNVGTYNMGYQCRW-KRWDZBQOSA-N 469.527 3.274 5 40 JGBB O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)N1CCc2ccccc2C1 32124857 STTGJCWXBVAXRI-NDENLUEZSA-N 499.570 3.300 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N\C(=O)c1ccccc1 101084549 DPSUJYPLQAUBSV-OLFWJLLRSA-N 488.544 3.382 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 139058692 TZYBVYHIOLKVNQ-NSHDSACASA-N 482.276 3.445 5 40 JGBB C[C@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224844187 OQYIKVBXWHJWMY-GOSISDBHSA-N 474.583 3.052 5 40 JGBB N=c1c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccncc1 16779280 GCCCYQKRAZDJLZ-UHFFFAOYSA-N 477.933 3.058 5 40 JGBB C[C@H]1CN(Cc2nc3c(c(=O)c4ccccc4n3C)c(=O)n2CCc2ccccc2)C[C@@H](C)O1 16810140 RPNKQPMXVQJZQD-KDURUIRLSA-N 458.562 3.100 5 40 JGBB CCc1nnc2sc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nn12 22716062 SINCQASLXLMUKC-UHFFFAOYSA-N 479.522 3.412 5 40 JGBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C[C@H]3CCCO3)c2=N)cc1C 2890392 CRSLXKSPYHQOKI-GOSISDBHSA-N 478.574 3.066 5 40 JGBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)N(C1CC1)[C@H]1CCS(=O)(=O)C1 8718842 YWCRWDLVRZTDNB-INIZCTEOSA-N 466.588 3.306 5 40 JGBB CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 11852707 KCEYFCYGXVFGDN-UHFFFAOYSA-N 467.525 3.260 5 40 JGBB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc([N+](=O)[O-])c1)N(CCCN1CCOCC1)C3=O 23043238 NCXVEXDTHMEIGS-QFIPXVFZSA-N 463.490 3.277 5 40 JGBB CC(C)NS(=O)(=O)c1ccc(NCCc2cc(Cl)c3c(c2)OCCO3)c([N+](=O)[O-])c1 32855721 YUORSXYKHBFTRF-UHFFFAOYSA-N 455.920 3.361 5 40 JGBB CN1CCN(S(=O)(=O)c2ccc(N[C@H]3CCSc4c(F)cccc43)c([N+](=O)[O-])c2)CC1 35349092 JRIIOICOEXLPBQ-KRWDZBQOSA-N 466.560 3.319 5 40 JGBB CCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 62587354 ZSBIIOLKTHDGJU-UHFFFAOYSA-N 487.456 3.392 5 40 JGBB CC[C@@H](C(=O)NCCOc1cccc2ccccc12)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223565274 FBSTXVTYLSAKSQ-NRFANRHFSA-N 471.535 3.488 5 40 JGBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 408641284 CITUIKJASOIODC-IWMITWMQSA-N 479.489 3.407 5 40 JGBB CCOC(=O)CSc1nnc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1-c1ccc(F)cc1 2724070 QNALCMTXHQWGDT-UHFFFAOYSA-N 473.486 3.208 5 40 JGBB O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)Nc1ccc([N+](=O)[O-])cc1 12475630 WCALKMFKGZIMCG-UHFFFAOYSA-N 489.535 3.160 5 40 JGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 13137124 DSYZHQPBIHANIY-UHFFFAOYSA-N 486.865 3.335 5 40 JGBB Cc1cc(=O)oc2c(C)c(Oc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)ccc12 15116137 ANDXXZFKMQNZHC-UHFFFAOYSA-N 460.464 3.131 5 40 JGBB CCOC(=O)c1ccn(-c2cccc(NC(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)c2)n1 32924346 RHNGVGOFYIGBBM-UHFFFAOYSA-N 488.460 3.064 5 40 JGBB CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)c2c(nc(SCC)[nH]c2=O)N[C@@]1(O)c1ccccc1 105917671 VSTFDSMQQMKSKR-YIGJPRQDSA-N 496.545 3.372 5 40 JGBB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222723981 RGUJNJZCMTXMAG-LBPRGKRZSA-N 470.309 3.452 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@@H](C(=O)C(C)(C)C)[C@@H]2C1=O 248125071 UHBWMFJLDKFMTC-DOIPELPJSA-N 460.490 3.397 5 40 JGBB O=C(Oc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408672511 VHJSTMVJEQFLSK-IPHXSNPTSA-N 477.473 3.233 5 40 JGBB COc1ccc(OC)c(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)cnc32)c1 2253330 IQTRVVNVYJTVHY-MRXNPFEDSA-N 457.490 3.480 5 40 JGBB CCOC(=O)c1c(NC(=O)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 3258326 CEHZPNMAVHXJNW-FMIVXFBMSA-N 457.508 3.480 5 40 JGBB COC[C@@H](C)n1c(C)cc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c1C 8852922 PYMQGUKRIRDTSR-MRXNPFEDSA-N 479.555 3.267 5 40 JGBB CC1CCN(c2ccc(C(=O)NC(=S)NCc3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])CC1 20153105 UMKBQIWJTOUTSS-UHFFFAOYSA-N 456.524 3.334 5 40 JGBB CCOCCCn1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 100811380 LWBYOZUMJGWMHS-SFHVURJKSA-N 459.550 3.355 5 40 JGBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O 409229975 WHLMJFRDVJZDPC-KGENOOAVSA-N 459.462 3.479 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1cccc(OC)c1 9222209 MJQOSESNKMPAET-WEMUOSSPSA-N 474.517 3.465 5 40 JGBB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])c1 9224170 XVVCRGFFLUWOOY-HNNXBMFYSA-N 467.569 3.433 5 40 JGBB CN1CCN(c2ccc(NC(=O)c3ccc(OS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)cc2)CC1 23133686 GNPJFLBDJVRUPK-UHFFFAOYSA-N 496.545 3.367 5 40 JGBB Cc1nn(C)cc1-c1nn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(-c2cn(C)nc2C)c1Cl 36611625 AJDPSDCSGXQCJH-UHFFFAOYSA-N 475.918 3.100 5 40 JGBB CN(Cc1cccnc1)C[C@H]1CCCN(c2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1 65567243 ZFSWSZOZYHPLKH-LJQANCHMSA-N 475.615 3.415 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)[C@@H](C)Oc1ccccc1 101176639 LJBPAWVGLJAPJD-PPPCSUNHSA-N 488.544 3.377 5 40 JGBB CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2n1 2704550 GBMISKSYWQBYEJ-NDENLUEZSA-N 474.454 3.459 5 40 JGBB Cc1ccc(N2C(=O)[C@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1[N+](=O)[O-] 34767454 SYYYISVJFAHUOC-OETAKHSWSA-N 480.908 3.296 5 40 JGBB O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 103562074 TVQXIVJSTFMHRN-MYDTUXCISA-N 484.443 3.495 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408686561 RVWVPNCCZZRPTL-UHFFFAOYSA-N 464.365 3.496 5 40 JGBB CCOC(=O)Cc1csc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 9097055 XVVUHFHQRVMOPW-UHFFFAOYSA-N 490.519 3.210 5 40 JGBB CCCCOc1ccc(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 9331100 BWRDWAGCVSNESM-ODAXIHTASA-N 488.500 3.371 5 40 JGBB COc1ccccc1CNC(=O)CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn12 9829076 RBEHPNJMYIQENJ-UHFFFAOYSA-N 450.480 3.117 5 40 JGBB O=[N+]([O-])c1ccccc1N1CCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1 13096357 MIHOAXDYQQFCET-UHFFFAOYSA-N 489.554 3.394 5 40 JGBB O=C(NCc1ccccc1)c1cccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 15166424 SSFCEMWLECCLHU-UHFFFAOYSA-N 497.529 3.338 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cccc(C(F)(F)F)c1 31937279 BDWYDFQUJQFELX-USHMODERSA-N 470.407 3.123 5 40 JGBB CCCCOC(=O)c1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 10333039 ZNMQBBPVHYWCSF-UHFFFAOYSA-N 463.512 3.265 5 40 JGBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 33828741 XHZDFTWSVIOKMD-HNNXBMFYSA-N 498.565 3.366 5 40 JGBB Cc1cccc(OCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 223527847 VEDUHVFOCBQUKI-UHFFFAOYSA-N 469.519 3.294 5 40 JGBB COC(=O)c1c(COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)nc2ccccc2c1C 9127271 GJLPKRDTNZNKTE-UHFFFAOYSA-N 465.462 3.432 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c([N+](=O)[O-])c1 9539518 JGAYTKMMOZNLEV-IAGOWNOFSA-N 489.550 3.365 5 40 JGBB CCN(CC)CCCN1CC(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 16042192 IIIFDCYKXMYQHI-BVAGGSTKSA-N 489.576 3.493 5 40 JGBB biogenic CC(C)(C)OC(=O)NN1CC(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 16042413 RSTAFMPVVFQLRI-KNQAVFIVSA-N 491.504 3.201 5 40 JGBB biogenic O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22576287 ZRJRRJOJZSYYHN-UHFFFAOYSA-N 465.875 3.120 5 40 JGBB CCCCC(=O)/N=c1/c(C(=O)OCC)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 103629299 KVQRHBRUUBQVKH-COOPMVRXSA-N 458.518 3.492 5 40 JGBB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4cccc([N+](=O)[O-])c4C)CC3)CC2=O)cc1 9426614 ITSFYFSMLMYPHT-LJQANCHMSA-N 464.522 3.442 5 40 JGBB Cc1cc(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)ccc1[N+](=O)[O-] 15972807 HZTUCXCIGREWQH-UHFFFAOYSA-N 467.551 3.038 5 40 JGBB COc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])c1 409369800 YDPMOWDLBLBLLH-ZKKFKWFVSA-N 471.425 3.388 5 40 JGBB O=C(Nc1ccc(I)cc1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 837610 MDCFUKOEKAXYTP-LLVKDONJSA-N 451.220 3.191 5 40 JGBB COc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1S(=O)(=O)N1CCCC[C@H]1C 9336054 WKRAQRMPCCHRQZ-OAHLLOKOSA-N 459.524 3.369 5 40 JGBB CCCCn1c(=O)c(CCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nc2ccccc21 9612940 SCZOQDPDHZBSSK-UHFFFAOYSA-N 482.493 3.228 5 40 JGBB COC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc([N+](=O)[O-])c1 89404332 CXCJUWYKRGYYOO-UHFFFAOYSA-N 461.496 3.198 5 40 JGBB COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(CCc3ccccc3)c2=N)cc1 101080217 APMHAUXGTHQWRF-UHFFFAOYSA-N 479.540 3.310 5 40 JGBB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223026798 HXBSKLGAZDCLAE-CQSZACIVSA-N 494.342 3.298 5 40 JGBB COc1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1[N+](=O)[O-] 3217288 MWNAYDQKUGUTJK-UHFFFAOYSA-N 483.399 3.254 5 40 JGBB CCOC(=O)c1cc(-c2ccncc2)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)CC 9765648 PWSATUZPVLVHHK-UHFFFAOYSA-N 473.511 3.050 5 40 JGBB COc1ccc2c(c1)CCCN2C(=O)COC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] 10275683 UMRUVFBWCNATKD-UHFFFAOYSA-N 466.393 3.350 5 40 JGBB COc1ccc([C@H]2SCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1OC 13382180 VMSWWRGAVUHNOM-GOSISDBHSA-N 469.497 3.265 5 40 JGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 24641352 ZCPNCBNZFGHRDA-CQSZACIVSA-N 459.524 3.461 5 40 JGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102086760 ZTOUCCVWYACNCQ-RPEUOYKBSA-N 457.486 3.198 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1cccc([N+](=O)[O-])c1 102919184 STLFNNVSFNKKAV-HPNDGRJYSA-N 489.488 3.365 5 40 JGBB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 224357298 QKHHCGPMQWMFRP-UHFFFAOYSA-N 467.931 3.232 5 40 JGBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@H]3c4ccccc4C=NN23)cc1 248126049 HTTAJJBTILUYAS-YCAMKHIRSA-N 496.479 3.365 5 40 JGBB O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 941728 JDQLHWJEQNIETC-UHFFFAOYSA-N 485.758 3.045 5 40 JGBB CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1 8898251 SZPSLKZDBCZAFQ-UHFFFAOYSA-N 482.610 3.464 5 40 JGBB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 9510064 LGJGMTWKZNWTDW-UHFFFAOYSA-N 490.567 3.157 5 40 JGBB COc1ccc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)cc1S(N)(=O)=O 9670081 YWWUZWNSRRGQHW-UHFFFAOYSA-N 493.570 3.423 5 40 JGBB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCN(Cn3ncc4ccc([N+](=O)[O-])cc43)C2)C1 40149223 AOOUJGFXFMYBBC-RTBURBONSA-N 486.573 3.130 5 40 JGBB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 59942131 HDQQCBMGWIQSSZ-UHFFFAOYSA-N 499.545 3.484 5 40 JGBB COCCNC(=O)[C@@H](C)Oc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13 8792198 DVVNAUJZOWHUDP-CQSZACIVSA-N 475.501 3.139 5 40 JGBB biogenic O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)N2CCCC2)c1 9120770 VGCPUDUIZJZOGP-UHFFFAOYSA-N 472.445 3.449 5 40 JGBB Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)co2)c(C)c1 24834916 AJSLBFRGHVCCHV-UHFFFAOYSA-N 456.524 3.373 5 40 JGBB CCN(CC)CCn1cc(Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])cn1 40155577 TWEPMLZIUHFNEH-UHFFFAOYSA-N 464.592 3.297 5 40 JGBB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O 101125420 HZOKNNUDXLLVKD-FKBYEOEOSA-N 479.420 3.499 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccccc1Cl)S(C)(=O)=O 224853933 BKINTSHEVQBCQH-UHFFFAOYSA-N 469.947 3.298 5 40 JGBB Nn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccccc1 409161830 BCZLSURKKFHXDH-UHFFFAOYSA-N 453.509 3.421 5 40 JGBB O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 8902605 QZOKLAXYXVACQG-UHFFFAOYSA-N 465.329 3.321 5 40 JGBB CCc1cc2c(COC(=O)c3ccc(Sc4nnnn4C)c([N+](=O)[O-])c3)cc(=O)oc2cc1O 9468189 DLCPZYPYPXMNCL-UHFFFAOYSA-N 483.462 3.001 5 40 JGBB CCNc1ccc(C(=O)OCC2=C(C(=O)OCC)[C@@H](c3cccs3)NC(=O)N2)cc1[N+](=O)[O-] 9630459 UOZULMNYGISXRW-GOSISDBHSA-N 474.495 3.116 5 40 JGBB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 9933656 ZTIPWMCFZPFYND-UHFFFAOYSA-N 478.461 3.189 5 40 JGBB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 14095935 YJBUMMLUACIVOX-UHFFFAOYSA-N 450.492 3.227 5 40 JGBB Cc1c(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cccc1[N+](=O)[O-] 16000944 OHWMQSUALPPHJK-UAKAABGRSA-N 480.908 3.296 5 40 JGBB CCOC(=O)c1c(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2cc(OC)ccc2n1C 36289172 LARMLZXEJCAZIJ-UHFFFAOYSA-N 495.536 3.033 5 40 JGBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@@H](C)NC(=O)c1ccccc1 409131496 JOUIVWYBDAAMQL-CQSZACIVSA-N 454.512 3.428 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)CS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl 3138791 QQXNABFYBDLPFB-UHFFFAOYSA-N 455.253 3.015 5 40 JGBB CN(C)c1ccc(S(=O)(=O)NCC(=O)OCc2nc3ccccc3c3ccccc23)cc1[N+](=O)[O-] 9224302 XWEAZIGQSLUJNQ-UHFFFAOYSA-N 494.529 3.384 5 40 JGBB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1nnc(Sc2ccc([N+](=O)[O-])cn2)s1 9273751 LITPDTXXGPAUHH-UHFFFAOYSA-N 478.899 3.010 5 40 JGBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1 15881684 FXFXOFKZQDYMTL-NRFANRHFSA-N 474.514 3.169 5 40 JGBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccn2)[C@@H](c2cccc([N+](=O)[O-])c2)CN1C 36331900 NQCFJWSGJWKHTC-YBGOQADZSA-N 458.474 3.374 5 40 JGBB C[C@H](Sc1nnc(C(F)(F)F)n1N)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 36640304 VXYJWIPMSGUCRX-ZETCQYMHSA-N 459.435 3.162 5 40 JGBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4Cl)c(=N)n(Cc4ccncc4)c3nc12 101158512 NHLBHSSVJFLQTB-UHFFFAOYSA-N 484.947 3.464 5 40 JGBB Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@H]43)C2=O)c1C 102783063 YCCGVXCMFMUAAV-PRPFLFIWSA-N 478.505 3.019 5 40 JGBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)o2)cc([N+](=O)[O-])c1C 214684775 MYBNPNDBJVCSCC-YBFXNURJSA-N 471.491 3.367 5 40 JGBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@H]2[C@H]2CCCN21 248340275 UQMNCONZWQQSDX-XMODTWTHSA-N 480.908 3.296 5 40 JGBB CCOC(=O)C1=C(C)N(N)C(=O)N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408729115 APVQTMHGZHSRPO-NRFANRHFSA-N 470.482 3.350 5 40 JGBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)cc1 409099640 ROSZSTXRAUIMRT-LICLKQGHSA-N 473.463 3.383 5 40 JGBB Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1NC(=O)c1ccc([N+](=O)[O-])cc1 1848037 FHRXAQOPZCJYGC-UHFFFAOYSA-N 488.485 3.292 5 40 JGBB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 9492377 CDOUQGFXXKUAST-UHFFFAOYSA-N 453.542 3.269 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1cccc2ccccc12 9634296 WEARBLKMDAXRJD-JVCXMKTPSA-N 496.523 3.367 5 40 JGBB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC 20005679 TUNHLFLMHIYHOH-NRFANRHFSA-N 499.545 3.449 5 40 JGBB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 40150054 QHAMGINTEZAUJU-IBGZPJMESA-N 462.890 3.321 5 40 JGBB C[C@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223724077 ZCFFSRDJSJNRFX-MRXNPFEDSA-N 463.556 3.242 5 40 JGBB CC(=O)c1ccc(NC(=O)COc2ccc(/C=C/c3nc(O)c([N+](=O)[O-])c(O)n3)cc2)cc1 408608473 WOAIYPUDIUHRJN-NYYWCZLTSA-N 450.407 3.187 5 40 JGBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Cl)cc1Cl 408655660 HZTHKRCUEZDQDT-NSHDSACASA-N 452.250 3.436 5 40 JGBB CCN(C(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 3381186 PUPGOJDVUZISOP-QGZVFWFLSA-N 492.554 3.201 5 40 JGBB CC[C@@H](Sc1nnc(CC(=O)Nc2ccccc2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 9583193 HJIVWFFSRQXYGS-QGZVFWFLSA-N 454.512 3.414 5 40 JGBB Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)co2)c(C)c1 24745364 LZFLCEKWIJDFFL-UHFFFAOYSA-N 456.524 3.373 5 40 JGBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 102076422 QDXSVDXSTOSPTG-GMLHRNBNSA-N 472.453 3.192 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 408644699 HHWSBGCLZLSVJG-IFQWMDHTSA-N 485.496 3.196 5 40 JGBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9669891 XSLOMYWAFARCAN-UHFFFAOYSA-N 466.416 3.209 5 40 JGBB Cc1ccc(C(=O)NCC(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-] 14369159 JNPOUWCKINQAKZ-UHFFFAOYSA-N 479.562 3.101 5 40 JGBB Cn1nnnc1Sc1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] 26042905 DHYQUPWCLFPVKF-UHFFFAOYSA-N 463.859 3.051 5 40 JGBB CC(C)n1cnnc1SCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 28425009 MZNJNPBHRDVQPI-UHFFFAOYSA-N 458.466 3.227 5 40 JGBB O=c1c(N2CCCC2)nc2ccc([N+](=O)[O-])cc2n1C[C@@H](O)COc1ccc2ccccc2c1 58167169 KTONYJUPWICEGT-HXUWFJFHSA-N 460.490 3.498 5 40 JGBB CCOC(=O)C1=C(CN2CCN(c3ccc(C)cc3C)CC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 67286340 SFFJBPMAIACTJV-XMMPIXPASA-N 493.564 3.205 5 40 JGBB O=[N+]([O-])c1ccccc1[C@@H]1c2c(-c3ccc(Br)cc3)nnc(O)c2Nc2nnnn21 111999828 HZYHVYUMJGVSII-MRXNPFEDSA-N 467.243 3.201 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 222930121 JENQTAMDQFDWBN-HNNXBMFYSA-N 461.540 3.126 5 40 JGBB CCCCCCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1655543 TYESGRVWHLWELD-UHFFFAOYSA-N 471.513 3.463 5 40 JGBB O=C(COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(SC(F)F)cc1 3285805 YZBGJJUREQONJH-UHFFFAOYSA-N 479.417 3.078 5 40 JGBB O=C(COC(=O)/C=C/c1ccccc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 3297019 HAJKUURZJWEQCS-IZZDOVSWSA-N 473.488 3.079 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3372739 TXAJKDGFNXRQGQ-CYBMUJFWSA-N 493.428 3.177 5 40 JGBB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 3427016 MJTCGVRALDAPRA-UHFFFAOYSA-N 488.909 3.418 5 40 JGBB NS(=O)(=O)c1ccc(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)cc1 9492029 QUIYQLYPLUOXAM-HXUWFJFHSA-N 474.926 3.365 5 40 JGBB CCOC(=O)c1sc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C 15978240 ZUTWISJRNMYLAB-UHFFFAOYSA-N 464.452 3.114 5 40 JGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)N2CCC[C@H](C(N)=O)C2)c1C 40134991 BVWUNLGLMQOKIX-AWEZNQCLSA-N 494.957 3.003 5 40 JGBB COc1ccc(OCCNC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)cc2)cc1 224822268 UPSQBDDLLGGEKU-UHFFFAOYSA-N 499.545 3.378 5 40 JGBB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]12 408655961 DTFLMDQOTBFTHB-LDQIIQMXSA-N 475.457 3.092 5 40 JGBB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 10010456 DQVAHXOYBQILAG-UHFFFAOYSA-N 487.944 3.006 5 40 JGBB C[C@H](OC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-])C(=O)N[C@H]1CCCc2ccccc21 16319131 OSLGKUZHNGTKFO-KKSFZXQISA-N 453.495 3.171 5 40 JGBB CC(=O)c1ccc(N2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])CC2)cc1 34888249 HYOWNEMNFGLEQO-UHFFFAOYSA-N 472.567 3.299 5 40 JGBB CN(C)CCCn1ccc2nc3ccn(-c4nc(SCc5ccccc5)n[nH]4)c(=O)c3cc2c1=O 40398957 HQWOQCXKPWZKCT-UHFFFAOYSA-N 487.589 3.063 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 408676234 ANRJYBQJCNDGNW-RBQRDFNRSA-N 477.473 3.041 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1=O 409308012 VXGFIJWQRQCPAS-NHCUHLMSSA-N 474.425 3.228 5 40 JGBB CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 6600500 KJYTUIDNQZSPJQ-UHFFFAOYSA-N 475.479 3.437 5 40 JGBB Cc1cc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])ccc1Br 9717161 DFNGSZXKGYDJKM-UHFFFAOYSA-N 456.318 3.430 5 40 JGBB COc1ccccc1OCCNC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 15372493 ZLTUZKMUYXLQTK-UHFFFAOYSA-N 471.491 3.213 5 40 JGBB CC[C@@H](C(=O)NCCOc1ccccc1C(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223823266 KGMXHEAVNYHPAJ-IBGZPJMESA-N 493.582 3.467 5 40 JGBB CCOC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@H](O)c1cccc([N+](=O)[O-])c1 6547800 FTRZMFXBTZTFSI-XZOQPEGZSA-N 482.514 3.110 5 40 JGBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 8386373 VNUXRGWXWOVPNU-UHFFFAOYSA-N 480.481 3.088 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c([N+](=O)[O-])c1 9127505 HPOQNDOJHWAKOU-SFHVURJKSA-N 493.582 3.484 5 40 JGBB Cc1ccc(-c2noc(CCCN3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)n2)cc1F 14251854 LSRQJKTTYKRWMZ-UHFFFAOYSA-N 489.529 3.031 5 40 JGBB COC(=O)c1cc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@@H]2CCCO2)cc([N+](=O)[O-])c1 21337009 RDICGNFFSFMBSE-FQEVSTJZSA-N 469.494 3.258 5 40 JGBB O=c1[nH]c(O)nc(/C=C/c2ccc(-c3ccc(I)cc3)o2)c1[N+](=O)[O-] 33634746 QMAGHDNXGRFESA-FNORWQNLSA-N 451.176 3.419 5 40 JGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)Nc1cccc([N+](=O)[O-])c1 408647569 VAZIODBQWIDQNO-LLVKDONJSA-N 452.250 3.436 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408656432 SHLTWHPCVZDXJY-VQTJNVASSA-N 465.437 3.315 5 40 JGBB CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408662489 IZGUZIDZHCSJIB-UHFFFAOYSA-N 471.466 3.452 5 40 JGBB COCCn1c(-c2ccc([N+](=O)[O-])cc2)nc2oc3ccc(Br)cc3c(=O)c2c1=O 2347571 YIXZGNHXEGSWIY-UHFFFAOYSA-N 472.251 3.487 5 40 JGBB CCN(CC)C(=O)c1c2nc3c(C(=O)N(CC)CC)cc(O)c(C)c3oc-2c(C)c(=O)c1N 5662795 PMPSPPIOCVDAJM-UHFFFAOYSA-N 454.527 3.161 5 40 JGBB O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCc1cc(=O)oc2cc3c(cc12)CCC3 9666658 QJFWYZNDZKMAJC-UHFFFAOYSA-N 456.838 3.317 5 40 JGBB CC(C)(C)NS(=O)(=O)c1ccc(N2CCC(C(=O)N3CCCCCC3)CC2)c([N+](=O)[O-])c1 12557646 KONGIKGNLCNCHO-UHFFFAOYSA-N 466.604 3.291 5 40 JGBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 12794838 NEIKQGCHGZBPDQ-UHFFFAOYSA-N 463.943 3.274 5 40 JGBB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 13096012 JJLVLVZQVLYSJN-FARCUNLSSA-N 467.356 3.332 5 40 JGBB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCN(c3nc4sccn4c3[N+](=O)[O-])C2)C1 40149416 FDTOLERDNBVLJX-LSDHHAIUSA-N 478.575 3.036 5 40 JGBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc([N+](=O)[O-])c1O 409356735 HFGZFXWUCZUWJE-AWNIVKPZSA-N 483.380 3.401 5 40 JGBB C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)OCc1ccccc1 2290100 BWSQAPOORARWIT-IEOAWGNMSA-N 463.446 3.207 5 40 JGBB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 4121790 GTXRPKIWJGBONZ-UHFFFAOYSA-N 455.540 3.170 5 40 JGBB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 15933657 ZMZCOCQXCJVVND-UHFFFAOYSA-N 466.416 3.161 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O 35844035 LUKHITMRTGBWBF-NARGUJOISA-N 480.908 3.296 5 40 JGBB CC1CCC(NS(=O)(=O)c2ccc(NCCCNC(=O)c3cccc(O)c3)c([N+](=O)[O-])c2)CC1 62613869 WMJFBCSWIALOIM-UHFFFAOYSA-N 490.582 3.389 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(N2CCCC2)cc1)S(C)(=O)=O 224933510 WPVDEMMFMRGVMP-UHFFFAOYSA-N 476.555 3.389 5 40 JGBB COc1cc(Br)c([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC 408576556 XRPJIUSLUSJBJR-YMUVEIQISA-N 462.300 3.035 5 40 JGBB O=c1oc2cc(S(=O)(=O)N3CCCCC3)ccc2c2ccc(S(=O)(=O)N3CCCCC3)cc12 645025 CXVAJLOCEGURNM-UHFFFAOYSA-N 490.603 3.295 5 40 JGBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NC[C@H]4CCCO4)cc3c3ccnc2c31 8792319 UXNCUSKWVJTHFM-MRXNPFEDSA-N 487.512 3.283 5 40 JGBB biogenic CCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2cc(S(N)(=O)=O)ccc21 9201065 RRMGTRQCXXJVNQ-JTQLQIEISA-N 483.959 3.385 5 40 JGBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1O 18068208 AAXSHIZYBXAEFI-FSSWDIPSSA-N 461.430 3.360 5 40 JGBB COc1cc(C[N+]23CC[N+](Cc4cc(OC)c(OC)c(OC)c4)(CC2)C3)cc(OC)c1OC 19319491 TUPLDVSHTZDYFU-UHFFFAOYSA-N 460.571 3.057 5 40 JGBB COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C(=O)NC2CCCC2)c1 224040308 BHJINNVAEPTCFG-QGZVFWFLSA-N 485.537 3.467 5 40 JGBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)cc1 409150755 DPSZFBQJPAMKLZ-MOSHPQCFSA-N 498.517 3.115 5 40 JGBB COc1cccc(CNC(=O)CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn23)c1 9829077 JVQCUOZNGVRFPM-UHFFFAOYSA-N 450.480 3.117 5 40 JGBB O=C(c1cccc2c3c([nH]c12)CCCCC3)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 12933793 NWBRRUBRTUCZKQ-UHFFFAOYSA-N 482.562 3.492 5 40 JGBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13770293 HTIGCRRTALNJER-QHAWAJNXSA-N 476.401 3.260 5 40 JGBB CCCn1/c(=N\C(=O)c2cccc([N+](=O)[O-])c2C)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 100820825 XJPGCZJWDDHBKC-QYQHSDTDSA-N 489.488 3.194 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1cccc(F)c1 101084577 FXQNSFDMRUMULA-FAJYDZGRSA-N 492.507 3.051 5 40 JGBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccccc1 4125348 MNSZPMGIQBAQNQ-UHFFFAOYSA-N 453.568 3.422 5 40 JGBB CC[C@H](Sc1nnc(CNC(=O)c2ccccc2F)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 9095864 NMIXHPPKOBTLIE-KRWDZBQOSA-N 472.502 3.302 5 40 JGBB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21)Nc1ccc([N+](=O)[O-])cc1 12140725 SVYYRDFAONWSIK-UHFFFAOYSA-N 456.414 3.446 5 40 JGBB Cn1ccnc1[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 12629659 PJIVOWVHMPNNJB-FQEVSTJZSA-N 455.902 3.338 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OC(F)F)ccc1N1CCC[C@H](CO)C1 15210079 XYZKWTJYIBFIIW-ZDUSSCGKSA-N 457.455 3.206 5 40 JGBB COc1ccc(OCCN2CCN(CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)CC2)cc1 23936769 FNMAUKODWKBVBY-UHFFFAOYSA-N 497.577 3.362 5 40 JGBB CCN1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)CC1 25719778 YXKJRDCYOVJLGE-QGZVFWFLSA-N 466.567 3.487 5 40 JGBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 30849692 ARYHLAOJPMIPLB-UHFFFAOYSA-N 459.509 3.058 5 40 JGBB COc1ccc(C(=O)NC(=S)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1[N+](=O)[O-] 32127304 AZMFPZGWQVXYHO-UHFFFAOYSA-N 473.536 3.177 5 40 JGBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(CC)CC3)cc2)cc1[N+](=O)[O-] 32125132 HWAWPRKQVOVNKX-UHFFFAOYSA-N 457.556 3.262 5 40 JGBB O=C(NC(=S)Nc1c(Cl)ccc2nsnc12)c1cc([N+](=O)[O-])ccc1N1CCOCC1 57315851 ZFMMVUPFHZVJDU-UHFFFAOYSA-N 478.943 3.216 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O 104065711 LUKHITMRTGBWBF-SYSFZUQMSA-N 480.908 3.296 5 40 JGBB COc1ccc(-c2nnc(NC(=O)CCCN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)s2)cc1 222879698 YPTSGCXYMFWTME-UHFFFAOYSA-N 491.551 3.307 5 40 JGBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 15602410 WDYNRDWSHYDSLY-KRWDZBQOSA-N 453.451 3.418 5 40 JGBB Cc1ccc(NC(=O)CCNc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])nc1 62580975 XWRGLCZGGGHHBK-MRXNPFEDSA-N 461.544 3.160 5 40 JGBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O 409230705 FSEXMIOVXPBAHG-LDADJPATSA-N 492.444 3.403 5 40 JGBB CC(C)COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCCCC(=O)O)cc1 8743537 XIUWCNDYBUHLID-STZFKDTASA-N 469.494 3.382 5 40 JGBB CCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=S)N(C3CC3)C2=O)[C@@H]1c1ccccc1 9190197 CVEMJILOHWSCIO-WMZHIEFXSA-N 450.520 3.111 5 40 JGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 20457105 XQVDKYWGRAMRBD-UHFFFAOYSA-N 478.464 3.105 5 40 JGBB CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])c3)nn12 57316400 UAWISVXLWBPONJ-UHFFFAOYSA-N 453.509 3.450 5 40 JGBB NC(=O)c1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)sc2c1CCC2 57316567 MNWZWRVCYDEXEL-UHFFFAOYSA-N 473.580 3.361 5 40 JGBB Cc1ccc2nc3c(cc(C(=O)N[C@H](C)c4ccccc4)c(=N)n3C[C@H]3CCCO3)c(=O)n2c1 103181114 JDVUJVYSVMTVON-IEBWSBKVSA-N 457.534 3.107 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 408571472 CCLJTVXESCIBSQ-UHFFFAOYSA-N 490.969 3.191 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)c1 408654845 BUPJXLADJKEXKD-JPEVHGAISA-N 493.472 3.101 5 40 JGBB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)cc3)CC2=O)cc1[N+](=O)[O-] 408665194 OPBCJJOMOJOHKU-CZAAIQMYSA-N 489.484 3.317 5 40 JGBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccccc1C(F)(F)F 408666977 IKLXEAGOZHFPFC-LBPRGKRZSA-N 451.357 3.148 5 40 JGBB CCCOc1c(I)cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])cc1OC 409320937 FYYNQRNHVCTFOC-SNAWJCMRSA-N 473.223 3.368 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1cc(Cl)c2c(c1)OCCO2 13120440 LIDIOKZGWIULKA-UHFFFAOYSA-N 454.888 3.383 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2C=CC=NN21 229609934 WORYSKVAVHYIQX-MANSERQUSA-N 484.390 3.211 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408654943 CAYAHSIMBKPJEJ-YOMUGFJLSA-N 477.473 3.400 5 40 JGBB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 8831679 NCRNIOOHWACPCP-UHFFFAOYSA-N 455.540 3.089 5 40 JGBB O=C1C(=O)N(OCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]2N1OCc1ccc([N+](=O)[O-])cc1 13809957 MYSNTEKOKCVEEQ-BGYRXZFFSA-N 470.438 3.048 5 40 JGBB COc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 20142715 ZJOLEAJXJSHAIL-UHFFFAOYSA-N 453.451 3.445 5 40 JGBB CCOC(=O)[C@H]1CCCN([C@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(CC)nn3c2O)C1 56952105 IBNCVRCFYJWJCK-WMLDXEAASA-N 459.528 3.332 5 40 JGBB C[C@@H](C(=O)NCCOc1cccc2ccccc12)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223562658 QRASUTMULBRVHZ-INIZCTEOSA-N 457.508 3.098 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccccc1C(C)(C)C)S(C)(=O)=O 223695077 XUPLGTUBZIYZHK-UHFFFAOYSA-N 463.556 3.162 5 40 JGBB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 223699589 OOVMOMZWCRZFRC-SFTDATJTSA-N 451.508 3.316 5 40 JGBB Cn1c(SCCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nnc1-c1ccc2c(c1)OCO2 8843949 UCYQVAHNAWDZMZ-UHFFFAOYSA-N 491.551 3.117 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@H](C(=O)N1CCN(c2ccccc2)CC1)n1cc(Cl)ccc1=O 9762972 FFLAUCYPUFWINC-JOCHJYFZSA-N 480.908 3.183 5 40 JGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 12137638 ZGYBZYRFJOCMCQ-UHFFFAOYSA-N 453.476 3.364 5 40 JGBB COc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1[N+](=O)[O-] 14269207 PBCLEBDMEVIJOT-UHFFFAOYSA-N 469.508 3.205 5 40 JGBB COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NCC(F)(F)F)cc2)C2CC2)cc1[N+](=O)[O-] 40062347 TXAZKJNTMSAPFW-UHFFFAOYSA-N 487.456 3.249 5 40 JGBB O=C(N[C@H](N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 100749134 VQDVFLSYKFJCOM-WTOJCKNJSA-N 485.755 3.302 5 40 JGBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCCn1ccnc1 8964673 TZWXERXTGQRKCD-WIOPSUGQSA-N 484.516 3.048 5 40 JGBB biogenic O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 13073453 HVJOFJJUULGZAO-UHFFFAOYSA-N 490.557 3.261 5 40 JGBB O=C(Nc1ncc(Br)s1)C12C[C@@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 13882216 HGEWAASUNMOIOQ-JSFIFOFKSA-N 453.322 3.340 5 40 JGBB Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)c1 62656935 ODADTVVUAADMAP-MRXNPFEDSA-N 480.974 3.199 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1c(F)cccc1F 101176477 GPKFTPBPFXTYTL-HFTWOUSFSA-N 466.444 3.426 5 40 JGBB CCCn1/c(=N\C(=O)c2ccccc2[N+](=O)[O-])c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101221582 BFBLLDPKKAECSJ-QYQHSDTDSA-N 489.488 3.194 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O 104032974 HILNBSFOFBPYJF-FLFXDLLNSA-N 480.908 3.296 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1C 408658082 USQDKDVGXZHFTQ-ZZTDLJEGSA-N 473.485 3.259 5 40 JGBB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 408661141 DKSRLUMHVWLCDM-UHFFFAOYSA-N 471.466 3.452 5 40 JGBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NCCCn1ccnc1 8791869 NKIBVJSMRVZBMR-UHFFFAOYSA-N 451.486 3.374 5 40 JGBB biogenic COC(=O)C1=C(C)Nc2nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c2[C@H]1c1cccnc1 100821755 BRNZLKMTTYREOE-KRWDZBQOSA-N 465.491 3.370 5 40 JGBB O=C(Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 408638173 BPYNXLUFVQDOQM-OAHLLOKOSA-N 471.425 3.354 5 40 JGBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)NCc2ccccc2)n[nH]1 409156595 KSYWMOQGIQAQSZ-IBGZPJMESA-N 468.539 3.249 5 40 JGBB Cc1cc(C(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(C)n1Cc1ccco1 3503260 KECSJKIFHLYXMK-UHFFFAOYSA-N 460.464 3.098 5 40 JGBB O=C1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1 40399303 FRUNOYRYAFWMHC-CQSZACIVSA-N 454.830 3.140 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408689553 YNMPZFJQWKMWEQ-NIKGAXFTSA-N 466.450 3.482 5 40 JGBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 409163337 PXRKYILTAXBXMC-GOSISDBHSA-N 499.509 3.479 5 40 JGBB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 19818331 FVWZIGVTMJYACI-WOJBJXKFSA-N 452.467 3.096 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 28628592 GAOSWLVYMPDPRZ-LQDNNDEMSA-N 471.425 3.388 5 40 JGBB Cc1ccc2nc3c(cc(C(=O)NC4CCCCC4)c(=N)n3CCCOC(C)C)c(=O)n2c1 101097494 LSDBLTCUSBTEDF-UHFFFAOYSA-N 451.571 3.315 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1nnc(SC(C)C)s1)S(C)(=O)=O 222709391 UADGSSUIYWPBTF-UHFFFAOYSA-N 473.602 3.440 5 40 JGBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 409177343 DZLJTYDEBXOUET-UHFFFAOYSA-N 470.415 3.376 5 40 JGBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2 2428302 MYXYLBIWWNTCGF-UHFFFAOYSA-N 457.490 3.481 5 40 JGBB C[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccccc1Br 35283958 KQLYBSUVHVIBEZ-AWEZNQCLSA-N 483.388 3.467 5 40 JGBB COCc1n[nH]c(-n2ccc3nc4ccn(-c5cc(Cl)cc(Cl)c5)c(=O)c4cc3c2=O)n1 40398976 PKHHYQDOMLZCAU-UHFFFAOYSA-N 469.288 3.261 5 40 JGBB CC[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224399733 MUXIYJIPBHQWDB-INIZCTEOSA-N 461.525 3.297 5 40 JGBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1cccc([N+](=O)[O-])c1 408663241 YHSFLXDTZPJYKL-PBFVBANWSA-N 479.876 3.295 5 40 JGBB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(OC)c([N+](=O)[O-])cc3C)CC2=O)cc1 9544968 RVMZOYJGWPSLMQ-INIZCTEOSA-N 455.467 3.009 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccncc2)n1C[C@H]1CCCO1 12494738 UTTXVLPDGZNITH-QGZVFWFLSA-N 454.512 3.467 5 40 JGBB COc1cc(CN(C(=O)COc2ccccc2[N+](=O)[O-])C2CCCCC2)ccc1OCC(N)=O 22707541 ZSPWRGMVPGDGOP-UHFFFAOYSA-N 471.510 3.208 5 40 JGBB O=C(NC(=S)Nc1ccc(Br)cc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22740487 YFAMKWMWPGGZFP-UHFFFAOYSA-N 483.319 3.460 5 40 JGBB CC1CCN(S(=O)(=O)c2ccc(Nc3cccc(Cn4cncn4)c3)c([N+](=O)[O-])c2)CC1 40149347 RYBLHKKMULHARD-UHFFFAOYSA-N 456.528 3.399 5 40 JGBB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)Nc1cccc([N+](=O)[O-])c1 408584255 NNBYKXVRFHPPIY-UHFFFAOYSA-N 453.904 3.487 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 408687262 TZWUQJIATOIUEL-HEFCMCLBSA-N 464.434 3.258 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408688043 VOMYRXAYHOHIMJ-JSNMRZPZSA-N 466.450 3.482 5 40 JGBB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1 9510154 VVBBZGBQYFNKAR-UHFFFAOYSA-N 469.475 3.500 5 40 JGBB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 9584069 VSJFROPTGKYRBF-UHFFFAOYSA-N 457.464 3.128 5 40 JGBB COc1ccc([C@@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)N2CCOCC2)cc1 14899913 ZERPLWLYCSRNBD-AREMUKBSSA-N 471.557 3.353 5 40 JGBB Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3CCCN23)cc1 36329052 XMUPEQLYMANZPM-LMCOJAPRSA-N 453.882 3.392 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1cccc(OC)c1 101176620 APCAYKWVXSYNAJ-NFFVHWSESA-N 474.517 3.232 5 40 JGBB O=C(COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1)N1CCOCC1 215000069 VFXRYSIPPBHULA-DEDYPNTBSA-N 483.502 3.069 5 40 JGBB CC[C@]1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)NCc4ccco4)n32)CO1 4295963 JJWASDPPNKOMHC-OAQYLSRUSA-N 483.579 3.230 5 40 JGBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])c(Br)cc1OC 408564406 CQDNUNCVLDSYNX-DRWCTHJISA-N 476.327 3.378 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 408648667 KAWCBVMTRBYMRW-WOJBJXKFSA-N 465.462 3.019 5 40 JGBB CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)cc3)C(=O)[C@@H]2C1 408656309 HOEITDWUQNXOBE-WQTXXOFMSA-N 489.484 3.399 5 40 JGBB O=C(Nc1nccc(-c2ccc(OC(F)F)cc2)n1)c1n[nH]c([N+](=O)[O-])c1Br 8782512 XUKLAVJOTRPPJX-UHFFFAOYSA-N 455.175 3.391 5 40 JGBB CCOCCCn1/c(=N/C(=O)c2ccc(F)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 9222908 IQJRQGUUKOAGMV-BYNJWEBRSA-N 492.507 3.133 5 40 JGBB C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc(N4CCOCC4)cc3)cc2[N+](=O)[O-])C1 9439759 JBDGVDYWKMAVJE-GOSISDBHSA-N 482.537 3.463 5 40 JGBB COC(=O)c1c(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)sc2c1CCCC2 10369625 RLYQQXFCROXXRW-UHFFFAOYSA-N 481.552 3.035 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C1CCN(C(=O)c2ccccc2C)CC1 11245138 PCRFLGICVAJVQK-INIZCTEOSA-N 469.494 3.334 5 40 JGBB COc1ccc(CCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 20451996 MPPQMDGDLBSEHD-UHFFFAOYSA-N 469.519 3.158 5 40 JGBB COc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 22278911 VEHSDGLVJMZGCC-UHFFFAOYSA-N 471.491 3.446 5 40 JGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1ccnc1 22429817 HWRRTQUAIFTZMF-UHFFFAOYSA-N 491.529 3.292 5 40 JGBB C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@H]1[C@@H](CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C(=O)O[C@@H]1C2 64062060 JVEWLFXQCRLVCY-JDHBMAKCSA-N 455.555 3.244 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)cc1[N+](=O)[O-] 408656710 IVYVRVMBGQTCNO-KDIGXEEGSA-N 477.473 3.234 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(Cc2ccc(OC)c(OC)c2)o1 408675067 QIULHXMDBOXBAZ-UHFFFAOYSA-N 460.468 3.325 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 408703489 SKLBSTUWOPEKJP-UHFFFAOYSA-N 463.512 3.285 5 40 JGBB COc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 6280920 SFNJFUFFYSYKHL-UHFFFAOYSA-N 456.480 3.141 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2C=CC=NN12 9329622 VJSXAFRWPGYHOJ-ODAXIHTASA-N 466.453 3.345 5 40 JGBB C[C@@H](OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 21458585 VYOWPEHYUMXRIX-SNVBAGLBSA-N 471.800 3.150 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccc(OC)cc1 103001067 AMHZXVMPZUGILF-HPNDGRJYSA-N 460.490 3.157 5 40 JGBB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223076188 JNQYAAFRMKHPGM-AWEZNQCLSA-N 494.342 3.298 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N1CCC(c2nc(=O)c3nnn(Cc4cccc(Cl)c4)c3[nH]2)CC1 1324482 USUKDKUBTIWNMB-UHFFFAOYSA-N 493.911 3.144 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 408681341 HVANLHRPOMPLCW-ROUUACIJSA-N 465.462 3.019 5 40 JGBB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1C 409156435 SHWGQFHIXMVQFN-IBGZPJMESA-N 484.538 3.287 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccco3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 103904378 HTCZVYAVWCEEIZ-WIQPIVSASA-N 485.452 3.469 5 40 JGBB CC[C@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 224786494 NBFRIXJSEXTERU-OAHLLOKOSA-N 491.551 3.305 5 40 JGBB CC(=O)Nc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 408607448 MJIYNRYXKKHQJL-UHFFFAOYSA-N 468.491 3.387 5 40 JGBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccncc1 8964895 DPSXPPAXLRFTCM-WIOPSUGQSA-N 467.485 3.356 5 40 JGBB biogenic O=C(c1cccc([N+](=O)[O-])c1)[C@@H](C(=O)N1CCN(c2ccccc2)CC1)n1cc(Cl)ccc1=O 9762973 FFLAUCYPUFWINC-QFIPXVFZSA-N 480.908 3.183 5 40 JGBB Cc1cccc(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)c1[N+](=O)[O-] 12925320 IVTNTQFLIGYKHR-UHFFFAOYSA-N 467.551 3.038 5 40 JGBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)N1CCOCC1 214284495 CHZKSRXQRNQMIO-LICLKQGHSA-N 477.882 3.403 5 40 JGBB COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408674285 YZZAUILIWJXACR-JPEVHGAISA-N 478.457 3.345 5 40 JGBB O=C(COc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1)N1CCOCC1 409231906 LUJRHGGKBQKVGM-MOSHPQCFSA-N 483.502 3.069 5 40 JGBB CCOCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O 1884338 HKVIUPIQSODDBZ-URXFXBBRSA-N 462.506 3.188 5 40 JGBB biogenic COCCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCC3 16046409 FGQDWHCKILMFEA-UHFFFAOYSA-N 460.537 3.232 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408683815 MFVDWMXHIVDKHO-XMCHAPAWSA-N 494.460 3.164 5 40 JGBB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 408713800 YBCMXHQFEITGQC-UHFFFAOYSA-N 451.476 3.090 5 40 JGBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O 409246138 FNVAHJLVVNUPSD-KGENOOAVSA-N 459.462 3.479 5 40 JGBB O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1ccc([N+](=O)[O-])cc1 11617088 ZYYDMOKOQLWLLK-UHFFFAOYSA-N 475.457 3.038 5 40 JGBB CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 14279358 REOVESVMSHRDJM-UHFFFAOYSA-N 487.944 3.006 5 40 JGBB CCCn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 26121444 TWBQYSKHVPFGQU-UHFFFAOYSA-N 453.499 3.204 5 40 JGBB O=[N+]([O-])c1ccccc1N1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 89814104 CMHIKFFLQWUBCG-UHFFFAOYSA-N 475.527 3.004 5 40 JGBB COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccc(C)cc3)c2=N)cc1 101136764 TWOHASVIUATORC-UHFFFAOYSA-N 493.567 3.466 5 40 JGBB CCSc1nnc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)s1 224442310 GRCUJPOLISFRDF-UHFFFAOYSA-N 479.565 3.392 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cccs1 408640965 BTLBDLAZVRDWGG-UHFFFAOYSA-N 480.414 3.101 5 40 JGBB CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2n1 1832118 OKYYHQTWYPEKRV-NDENLUEZSA-N 474.454 3.459 5 40 JGBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] 3325126 CXWAXIMQSMBSDR-UHFFFAOYSA-N 483.293 3.372 5 40 JGBB O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(C(=O)c2cccs2)CC1 12606516 XLBJYNOBTJOQJN-UHFFFAOYSA-N 456.446 3.462 5 40 JGBB COC(=O)c1cc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc([N+](=O)[O-])c1 13145308 PGNMZJWQFDVRDL-UHFFFAOYSA-N 470.459 3.426 5 40 JGBB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cc([N+](=O)[O-])ccc1Cl 71980685 MIBBJSGSCWSPGB-LJQANCHMSA-N 459.886 3.166 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@H]3[C@@H]2C1=O 101344187 DXSAHCHJDKAGLU-LWSSLDFYSA-N 496.479 3.365 5 40 JGBB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222676209 CPGAZDOMHNHDBU-GFCCVEGCSA-N 470.309 3.452 5 40 JGBB CC[C@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224103205 PRIHYOVKVREBSV-HXUWFJFHSA-N 463.556 3.260 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408687173 SZQCQWKDHPAQFJ-BJZITVGISA-N 467.453 3.395 5 40 JGBB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2C)c(C)c1 409143188 ZMWQSSHIXSNJLN-UHFFFAOYSA-N 454.512 3.001 5 40 JGBB Cc1cccc(CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])cc(I)c3O)C2=O)c1 409230937 HBMPQELFKVNSLA-VIZOYTHASA-N 479.230 3.306 5 40 JGBB Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 2751600 FEFJQGGNOHIPHH-UHFFFAOYSA-N 492.491 3.413 5 40 JGBB C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc(CN4CCOCC4)cc3)cc2[N+](=O)[O-])C1 16214358 HESKPKKMLFXUFE-IBGZPJMESA-N 496.564 3.459 5 40 JGBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408660672 WSBWPBATTQQVJC-MYHSIESUSA-N 473.485 3.421 5 40 JGBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408665950 ZSBOGCKRMKVWMQ-PJMHPDBPSA-N 473.485 3.339 5 40 JGBB Cc1ccc(C2=NN(C(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H](c3ccco3)C2)cc1 9703439 GVWXGHRIEKUBPD-FQEVSTJZSA-N 458.430 3.470 5 40 JGBB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 12949302 ZHXNCEVYYLHUSW-UHFFFAOYSA-N 486.531 3.192 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/C=C\c3ccccc3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1 13573553 SASHCWWFWKGBAE-VJNICZAZSA-N 475.526 3.372 5 40 JGBB COc1cc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 20131293 BOURSPPWKPZKLP-UHFFFAOYSA-N 479.449 3.477 5 40 JGBB Cc1ccc(-c2nnc(NC(=O)[C@H](C)N(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)s2)cc1 223321284 ITPBNTZQLAIBIP-ZDUSSCGKSA-N 461.525 3.215 5 40 JGBB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 223636017 XXZDSQDUOXKUMH-UHFFFAOYSA-N 471.535 3.489 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2C=CC=NN21 253488072 WORYSKVAVHYIQX-OKYOBFRVSA-N 484.390 3.211 5 40 JGBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408646829 IWLSBYSFAFNSNE-CALCHBBNSA-N 467.865 3.440 5 40 JGBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 408647465 JGZBEZSQJLXTOY-ZZPQKZSQSA-N 485.496 3.277 5 40 JGBB O=C(Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 408638788 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COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2)c1 139058007 NRMKIQVNSJQCTK-UHFFFAOYSA-N 480.271 3.267 5 40 JGBB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223026853 HXBSKLGAZDCLAE-AWEZNQCLSA-N 494.342 3.298 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408686307 RMMPELLCXWSKEK-HFTRVMKXSA-N 466.450 3.482 5 40 JGBB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)cc1 12539506 CVJQWWOJESCTBB-UHFFFAOYSA-N 486.594 3.465 5 40 JGBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)cc4C)c3)CC2)cc1OC 13632934 DGTHASSTAXRCPV-UHFFFAOYSA-N 465.510 3.377 5 40 JGBB COc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2=O)c(OC)c1 23080718 LTNAKUPCMCBWTO-OLZOCXBDSA-N 491.884 3.189 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 48274564 GZJADEJKULBYDW-PZJWPPBQSA-N 475.523 3.188 5 40 JGBB COc1ccccc1CN1CCC(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 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O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1cc(Cl)ccc1Cl 408668242 VFENAWHGLAEFGP-LLVKDONJSA-N 452.250 3.436 5 40 JGBB Cc1nn(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1S(=O)(=O)N(C)c1ccccc1 8755186 KGDQZXVJMIEPSJ-UHFFFAOYSA-N 484.943 3.124 5 40 JGBB COc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1OC 9641100 APGPIXVMHNNIKJ-UHFFFAOYSA-N 456.480 3.494 5 40 JGBB CCN(CC)C(=O)[C@@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccccc1 9646924 PZXZSALUSDPWPW-NRFANRHFSA-N 461.540 3.368 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc(C(F)(F)F)cc1 11691335 QJRWWNMHCFYODL-USHMODERSA-N 470.407 3.123 5 40 JGBB CCOC(=O)C1=C(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)NC(=O)N[C@H]1c1ccccc1 12599536 OZCZNCQBVSSJTA-QFIPXVFZSA-N 494.504 3.223 5 40 JGBB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)CC2)cc1 20248107 VRNFNAUGCJZHBO-UHFFFAOYSA-N 450.451 3.411 5 40 JGBB CCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)C2=O)cc1 100128947 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5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O 9359133 HILNBSFOFBPYJF-GSRZOBFVSA-N 480.908 3.296 5 40 JGBB COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OC 35402848 VTDVRSMJRDOZFM-LDADJPATSA-N 487.490 3.087 5 40 JGBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 102076405 IPEGQBFRBNFJRQ-GHPWRHCUSA-N 472.453 3.192 5 40 JGBB O=C(c1ccco1)[C@@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 103560547 XLHBWNLYYZPSFT-YJMBLLCNSA-N 455.426 3.461 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408682202 JDSACQARYKAPIN-VQTJNVASSA-N 464.434 3.402 5 40 JGBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 409179183 QGHWITWSSMBDSS-UHFFFAOYSA-N 470.415 3.376 5 40 JGBB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21)Nc1cccc([N+](=O)[O-])c1 12140724 CYLYTBDKYVIJPQ-UHFFFAOYSA-N 456.414 3.446 5 40 JGBB O=C(COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)c1ccccc1 12600934 VWJKLLYDOAHLRN-UHFFFAOYSA-N 466.899 3.075 5 40 JGBB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)CCNc3ccccc3[N+](=O)[O-])C2=O)cc1 96941522 AHTWAGQDASMKLG-XMHGGMMESA-N 470.507 3.258 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 138701271 HZRYWQVIHUGMBW-UHFFFAOYSA-N 488.412 3.348 5 40 JGBB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223664904 UFAVQECIJRCGFF-RTWAWAEBSA-N 451.508 3.316 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 9507248 ZYMCGYKXJNICCY-UHFFFAOYSA-N 460.446 3.038 5 40 JGBB CC1CCN(CCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)CC1 13671152 DEOQEXNCUSUESS-UHFFFAOYSA-N 474.583 3.028 5 40 JGBB Cc1cccc(COC(=O)[C@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C(C)C)c1 32950363 CHXIMMFGXYTPRK-JOCHJYFZSA-N 491.566 3.104 5 40 JGBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCc1cn(-c2ccccc2)nn1 65593094 ZWLGWOMOHHPIOY-IBGZPJMESA-N 457.874 3.327 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408679813 FIXCUJNESDNYGF-LSBZLQRGSA-N 494.460 3.164 5 40 JGBB Cc1cc(C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C)n1C[C@@H]1COc2ccccc2O1 9612411 BONXRFCCOOROPO-QGZVFWFLSA-N 465.462 3.475 5 40 JGBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2)C1 14360650 SBMBCACGHKUYKN-IYBDPMFKSA-N 490.534 3.485 5 40 JGBB CC(C)[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 35355241 XYQAASMBCYOOQH-QHCPKHFHSA-N 490.582 3.111 5 40 JGBB COc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C(=O)NC2CCCC2)cc1 224071623 PBRZFOJJRIVXOI-QGZVFWFLSA-N 485.537 3.467 5 40 JGBB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225385008 KKYKFKIGRDHKTB-HXUWFJFHSA-N 473.526 3.324 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 408831098 PNRGTPLOQXQEGD-IMEWXKHHSA-N 477.542 3.323 5 40 JGBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc([N+](=O)[O-])c1O 409358664 KZYGAISYXHVXMB-ODLFYWEKSA-N 483.502 3.320 5 40 JGBB CC(C)C[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O 9883251 JOZKWNYBXWRNDB-SFHVURJKSA-N 473.869 3.441 5 40 JGBB Cc1ccc(NS(=O)(=O)c2ccc(NC[C@@H](O)COCC(C)C)c([N+](=O)[O-])c2)c(C)c1 40122885 NQADJSPANXAOKG-QGZVFWFLSA-N 451.545 3.458 5 40 JGBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3c(c1)OCCO3)C(c1ccc([N+](=O)[O-])cc1)=NN2c1ccccc1 103602217 QYAVYCDACQDGJW-GMAHTHKFSA-N 470.441 3.149 5 40 JGBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1[N+](=O)[O-] 408665353 DTDGRQNWIDIWMT-CYBMUJFWSA-N 465.384 3.457 5 40 JGBB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCCNc3ccccc3[N+](=O)[O-])cc2)cc1 9916632 WPMMWFAIUDXXHS-UHFFFAOYSA-N 498.561 3.335 5 40 JGBB Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1C 10070967 GQKLNJYPLZPMMM-UHFFFAOYSA-N 492.550 3.415 5 40 JGBB O=C1C[C@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)N1c1ccc(F)cc1 18284073 HZZQNGYFTSDFMS-SFHVURJKSA-N 466.391 3.207 5 40 JGBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 408655835 RWCZZWLCPMWMIV-ZLGUVYLKSA-N 461.474 3.483 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408658143 HVUNHHNKVIXXTB-WWLNLUSPSA-N 475.457 3.010 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 408831099 PNRGTPLOQXQEGD-WVWKGNOCSA-N 477.542 3.323 5 40 JGBB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 409370610 BIGDWHHBOROHFV-OLJONYEBSA-N 454.438 3.258 5 40 JGBB COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c([N+](=O)[O-])c1 8670287 JIAJYZUPYDLBQK-UHFFFAOYSA-N 455.492 3.046 5 40 JGBB aggregator Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)S(C)(=O)=O 10336983 NPWMRSPRTXGJQJ-UHFFFAOYSA-N 488.566 3.370 5 40 JGBB CN(C)[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccco1 12520970 YNWOXCZBCICNDB-LJQANCHMSA-N 458.496 3.021 5 40 JGBB CN1CCN(S(=O)(=O)c2ccc(N[C@@H]3CCSc4c(F)cccc43)c([N+](=O)[O-])c2)CC1 35349091 JRIIOICOEXLPBQ-QGZVFWFLSA-N 466.560 3.319 5 40 JGBB CC1CCN(S(=O)(=O)c2ccc(N3CCC(N4C[C@@H](C)O[C@H](C)C4)CC3)c([N+](=O)[O-])c2)CC1 40135268 QNAFJEYICZMRNU-RTBURBONSA-N 480.631 3.093 5 40 JGBB CCCc1ccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 224820927 IPGAWUOKMRRSNP-UHFFFAOYSA-N 463.556 3.289 5 40 JGBB CC[C@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 260810835 KMRFSBGSUBGIHO-RHSMWYFYSA-N 465.528 3.034 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 260832408 JENQTAMDQFDWBN-OAHLLOKOSA-N 461.540 3.126 5 40 JGBB C[C@@H](NC(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 9720917 AIPDXZKZWMAELK-NXTQRVMMSA-N 490.626 3.011 5 40 JGBB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 24974005 FSYGFTYRNIRDFR-GFCCVEGCSA-N 475.299 3.193 5 40 JGBB COc1ccccc1-n1c(=O)c2ccc3c(=O)n(-c4ccccc4OC)c(=O)c4ccc(c1=O)c2c34 408730411 GDMPOABKFGTWPZ-UHFFFAOYSA-N 478.460 3.061 5 40 JGBB CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](c4ccccc4)C[C@@H]32)C1=O 9430410 USNVOFYIDZDVOB-WVFSIPRWSA-N 462.506 3.377 5 40 JGBB COc1ccc(CCNC(=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)cc1OC 9762478 RRWURKJEYITDLT-JOCHJYFZSA-N 499.907 3.210 5 40 JGBB CN(Cc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 12517118 UOGXMCNOLXYDEY-UHFFFAOYSA-N 459.446 3.271 5 40 JGBB O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 13008023 OCRLYVYNVRBGCU-UHFFFAOYSA-N 457.796 3.350 5 40 JGBB CCCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=CC=NN2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)cc1 253486981 BWRDWAGCVSNESM-WZYRSQIMSA-N 488.500 3.371 5 40 JGBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(I)c1 8902356 IHVOVBDYYLRODV-UHFFFAOYSA-N 453.236 3.288 5 40 JGBB Cc1cc(C)cc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)c1 9488172 SQORGOSFASGLRC-PKHCBNPCSA-N 478.505 3.019 5 40 JGBB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3[C@@H]3O[C@@]132 59409691 JBMNDNNOKRMRPC-XHWGUPKXSA-N 455.555 3.242 5 40 JGBB biogenic Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2F)n1C 108893257 YNHUKGOCFJJKMP-ZDUSSCGKSA-N 472.502 3.393 5 40 JGBB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 408533346 QJICYTOCLZCAML-UHFFFAOYSA-N 488.957 3.392 5 40 JGBB COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408674283 YZZAUILIWJXACR-GKIWIXTESA-N 478.457 3.345 5 40 JGBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1N1CCCCC1 9891924 KRKRSKWGWBDVAO-UHFFFAOYSA-N 475.527 3.004 5 40 JGBB CCc1nc2c(c(=O)n1CCOC)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 13712980 MUPYEDGRIYEVRK-UHFFFAOYSA-N 457.490 3.280 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(C)cc(Cl)cc43)[C@@H]2C1=O 20503890 HMBXWFXTMTZORJ-GSRZOBFVSA-N 480.908 3.296 5 40 JGBB Cc1ccc(OCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C 224854988 MODGMPKHRNTWMC-UHFFFAOYSA-N 463.556 3.261 5 40 JGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(Cl)cc1 408680276 GAGNDERQMYKAMK-PBFVBANWSA-N 479.876 3.295 5 40 JGBB O=c1c(Cl)c(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(C(F)(F)F)cn1 15111940 PZYQIANSAVQXCF-CQSZACIVSA-N 455.780 3.353 5 40 JGBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1 15881687 ISZGXIYRWODWBB-OAQYLSRUSA-N 474.514 3.169 5 40 JGBB CN(C)[C@@H](CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1c(F)cccc1Cl 32983723 IJBMPUWDYOSKMJ-IBGZPJMESA-N 450.898 3.257 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408678840 DLKMFRHXTONONT-IAGOWNOFSA-N 450.407 3.012 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 408688463 WIJGNZCIAPZCFU-KDURUIRLSA-N 452.423 3.236 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 408690022 ZKDLGEQYPAVJOT-MMACOIQUSA-N 465.437 3.171 5 40 JGBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)cc1 409150726 DLLMJQOZJWEVKK-MOSHPQCFSA-N 482.518 3.415 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1nnc(-c2ccccc2)s1)S(C)(=O)=O 224983423 ULXHVTJZCYDERI-UHFFFAOYSA-N 491.551 3.307 5 40 JGBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])c(Br)cc1OC 408567815 RLCGTBHCZLKFAM-ZFNNKGNGSA-N 476.327 3.425 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408679953 FPOSFYNDMKDQRP-MJGOQNOKSA-N 465.437 3.315 5 40 JGBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)Nc1ccc(F)cc1 409166857 GWIUZCCWLGYJIR-UNOMPAQXSA-N 486.481 3.246 5 40 JGBB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 40123165 FAEWACLIMVWITB-QGZVFWFLSA-N 498.542 3.369 5 40 JGBB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225451462 UQHUXVBZDMUNGZ-QZTJIDSGSA-N 457.527 3.357 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(F)cc1 408644625 HCNAZLUIRDKZMQ-UCHKQQSZSA-N 489.459 3.027 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)c3)C(=O)[C@H]21 408661904 MDDZCPDAITWBIS-LCSKGXRCSA-N 489.484 3.255 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409143181 VOSBLCZNVVQCDJ-WVWKGNOCSA-N 493.541 3.024 5 40 JGBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 409159881 VOVMCRFBNUTOLY-REZTVBANSA-N 457.420 3.007 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1622846483 ZKNOCNZPLRFPOR-UHFFFAOYSA-N 453.543 3.396 5 40 JGBB O=[N+]([O-])c1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(Br)cc2)n2nnnc2N3)cc1 10296264 BZQFVFFUJRHNPS-MRXNPFEDSA-N 467.243 3.201 5 40 JGBB Cn1c(=O)c2c(SCc3ccc([N+](=O)[O-])cc3)nc(-c3ccc(F)cc3)nc2n(C)c1=O 11758208 NFWQHEVHGVHNIS-UHFFFAOYSA-N 453.455 3.034 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409368324 XZOHUUHHUDZCFY-ZNQKWNQWSA-N 481.505 3.154 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSCc1ccc(Cl)cc1)S(C)(=O)=O 409412386 VVYAUIVRECKCER-UHFFFAOYSA-N 487.987 3.072 5 40 JGBB O=C(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 822836 DWQBMHNLPUYCQJ-CVQXOBEKSA-N 496.475 3.213 5 40 JGBB Cc1nc2c3c4c(sc3n3c(SCC(=O)Nc5nccs5)nnc3n2n1)COC(C)(C)C4 2426830 UVKRQBZTWHQZLB-UHFFFAOYSA-N 486.608 3.334 5 40 JGBB CC(C)NS(=O)(=O)c1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 15033957 VILPFBJPMRRLDX-UHFFFAOYSA-N 474.461 3.142 5 40 JGBB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 69350833 LUFLRRZGDQGCTC-FQEVSTJZSA-N 458.490 3.343 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1 408640326 AQPGJJVGEZEBCA-SNHGZMDHSA-N 479.876 3.295 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1 9121214 UYCNCNFCXNHDFE-UHFFFAOYSA-N 492.602 3.068 5 40 JGBB CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2cc(S(N)(=O)=O)ccc21 9669985 WDIRVKJFXPPUGD-SNVBAGLBSA-N 483.959 3.385 5 40 JGBB CCOCCCn1/c(=N/C(=O)c2ccccc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 13029645 HLIQEUBGMNJEKO-RMLRFSFXSA-N 488.544 3.302 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1cccc(F)c1 101176914 VJEABWJEYOBFAH-FAJYDZGRSA-N 486.459 3.347 5 40 JGBB CCCn1c(=N)c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3cccc(C)c3nc21 101229330 MCYSIPULHAJQSZ-UHFFFAOYSA-N 487.379 3.442 5 40 JGBB C[C@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 222662190 DGXAHOCWTDMZIO-KRWDZBQOSA-N 497.529 3.439 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 408642138 DOOFUXPQVKVHGO-MMACOIQUSA-N 465.437 3.171 5 40 JGBB COc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] 851079 WQWAPAUJTWTHBQ-UHFFFAOYSA-N 460.489 3.476 5 40 JGBB COc1cc(OC)cc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)cnc32)c1 2247272 FJRMCOXONITOLM-INIZCTEOSA-N 457.490 3.480 5 40 JGBB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 15717912 SGSILCRKELITRU-UHFFFAOYSA-N 458.540 3.038 5 40 JGBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccn2)[C@H](c2cccc([N+](=O)[O-])c2)CN1C 36543706 NQCFJWSGJWKHTC-QRJOEMBSSA-N 458.474 3.374 5 40 JGBB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCN(c3nc4sccn4c3[N+](=O)[O-])C2)C1 40149419 FDTOLERDNBVLJX-CABCVRRESA-N 478.575 3.036 5 40 JGBB CCCCn1c(=N)c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c(=O)n3cccc(C)c3nc21 101154038 ZGJIXWPZAJKFIS-UHFFFAOYSA-N 489.576 3.227 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CCCN1[C@@H]2C(=O)c1ccc(Cl)cc1 217580473 ZKVONUSPGCQWCG-LMCOJAPRSA-N 469.881 3.092 5 40 JGBB CC[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225378576 CDHOMPAZXVOXRV-NRFANRHFSA-N 489.594 3.312 5 40 JGBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 408737721 OCHMFTOIAIMQPW-QAPCUYQASA-N 454.464 3.291 5 40 JGBB Cn1cnnc1Sc1cc(N2CCN(C(=O)c3ccccc3Cl)CC2)ccc1[N+](=O)[O-] 8741519 LKZYATNCUQSHKO-UHFFFAOYSA-N 458.931 3.490 5 40 JGBB NC(=O)[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 10193787 BJYALSXLXNGQKL-GOSISDBHSA-N 450.417 3.173 5 40 JGBB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 12517240 IJRCTDWSOTWNSC-QGZVFWFLSA-N 473.961 3.164 5 40 JGBB COc1ccc(OC)c2c1CN(c1ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc1[N+](=O)[O-])C[C@@H]2O 104276680 NDHVMOBDVGSPJZ-YWZLYKJASA-N 491.566 3.086 5 40 JGBB COC(=O)c1cccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c1 409372523 MEEWHHZIXXRVSS-UBFBPUDLSA-N 454.438 3.258 5 40 JGBB O=C(O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 4016375 KZEADVVBOHFKII-UHFFFAOYSA-N 494.372 3.404 5 40 JGBB O=[N+]([O-])c1ccc(N2CCN([C@@H](c3ccccc3F)c3nnnn3Cc3ccco3)CC2)cc1 13505102 NERGQOQDMHRNSW-QFIPXVFZSA-N 463.473 3.273 5 40 JGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1ccnc1 20491915 LKCAQTBBZSKORH-UHFFFAOYSA-N 491.529 3.292 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccccc1[N+](=O)[O-] 100820832 YQYRACIVHWUBDO-QLYXXIJNSA-N 475.461 3.056 5 40 JGBB CCCCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3cccc(C)c3nc21 101159482 QXNPGBBPYBMDCA-UHFFFAOYSA-N 473.533 3.286 5 40 JGBB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 408533170 QAAHNPNQSWJLJN-UHFFFAOYSA-N 488.957 3.392 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408688051 VOMYRXAYHOHIMJ-XMCHAPAWSA-N 466.450 3.482 5 40 JGBB COC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)sc2c1CC[C@@H](C)C2 845126 VCSUEJQZLLYXAB-MRVPVSSYSA-N 471.333 3.474 5 40 JGBB COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(C(=O)N2CCOCC2)c1C 8445746 WMKAZALJQLRKCC-UHFFFAOYSA-N 467.887 3.129 5 40 JGBB Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)n3c(c2n(C)c1=O)[C@H](c1cn(C)c2ccccc12)OCC3 8997640 BHXCIQVNVUPKHZ-DEOSSOPVSA-N 485.500 3.225 5 40 JGBB Nc1c(N(CCC2=CCCCC2)C(=O)c2ccc([N+](=O)[O-])o2)c(=O)[nH]c(=O)n1Cc1ccccc1 12867674 ZHFPCGBEVYQJJJ-UHFFFAOYSA-N 479.493 3.206 5 40 JGBB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 20483170 GEFMCDVYMHJRIL-UHFFFAOYSA-N 465.553 3.260 5 40 JGBB Cc1c(Cl)cc(S(=O)(=O)N2CCC(C(=O)NCCCOCC(C)C)CC2)cc1[N+](=O)[O-] 32916475 MLYZXJASLGIYQW-UHFFFAOYSA-N 475.995 3.136 5 40 JGBB Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 62594956 ABKOTYLATYXRJE-JOCHJYFZSA-N 498.495 3.486 5 40 JGBB COC(=O)Cn1/c(=N/C(=O)c2ccccc2I)sc2cc([N+](=O)[O-])ccc21 100876527 VRSSJAAYBXEINN-ZPHPHTNESA-N 497.270 3.130 5 40 JGBB CS(=O)(=O)N(CCCC(=O)Nc1nnc(-c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 222625598 UEJHKGWGJKPASH-UHFFFAOYSA-N 461.525 3.298 5 40 JGBB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]21 408655963 DTFLMDQOTBFTHB-YWASFDNLSA-N 475.457 3.092 5 40 JGBB Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCc2cc3c(cc2Br)OCO3)n1C 1431936 GCAQQFSJVZAAHO-UHFFFAOYSA-N 467.305 3.060 5 40 JGBB COc1cc(-c2noc(-c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)n2)cc(OC)c1OC 8586997 PCNCPPOVEIQYNS-UHFFFAOYSA-N 455.471 3.089 5 40 JGBB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 9464986 XOKWFBKBPVUMBD-UHFFFAOYSA-N 474.901 3.102 5 40 JGBB C[C@H](OC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 17596617 DZBDAEDAWUUVIM-LBPRGKRZSA-N 459.842 3.081 5 40 JGBB Cc1c(N(CCCC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224860990 SGAYDUJRKJXAHW-UHFFFAOYSA-N 469.947 3.298 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)cc1 408658083 USVXMLBDTRFGRD-GNSUPJDDSA-N 477.473 3.041 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408680343 GDOGNHZSTDYFAW-JSNMRZPZSA-N 467.453 3.395 5 40 JGBB CC(C)[C@H]1N(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1S(=O)(=O)c1ccccc1 9288414 MLGMYGFDNKTUKR-FQEVSTJZSA-N 489.579 3.078 5 40 JGBB CCOc1ccc(-c2nc(SCc3ccc([N+](=O)[O-])cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 9517537 RZATTYRDJYWDFB-UHFFFAOYSA-N 479.518 3.293 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)c([N+](=O)[O-])c1 18033469 JGAYTKMMOZNLEV-CALCHBBNSA-N 489.550 3.365 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 40399395 HXEPSNWVEPLSOL-CQSZACIVSA-N 468.857 3.448 5 40 JGBB COc1ccc(Cn2c(=N)c(C(=O)NCc3ccccc3)cc3c(=O)n4ccccc4nc32)cc1 101037618 CEUFYCIEJGHKIX-UHFFFAOYSA-N 465.513 3.116 5 40 JGBB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 106899345 YRFSDQUPWNJDSA-NXPNQGMMSA-N 482.103 3.361 5 40 JGBB Cc1c(N(CCCC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)cccc1[N+](=O)[O-] 224861052 QOQJYPWQAFQFSQ-UHFFFAOYSA-N 469.947 3.298 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 408642168 DQUJZZVNNQUYMR-UHFFFAOYSA-N 474.385 3.039 5 40 JGBB CCn1cc([N+](=O)[O-])c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)n1 2778759 PHWOVFBYTDNIOV-LBPRGKRZSA-N 458.544 3.426 5 40 JGBB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1Cl 9974697 AZQTYLBWNGAYNA-ZDUSSCGKSA-N 453.904 3.296 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccncc2)n1C[C@@H]1CCCO1 12494733 UTTXVLPDGZNITH-KRWDZBQOSA-N 454.512 3.467 5 40 JGBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2nc(O)c3cnn(-c4cccc(C)c4C)c3n2)n1 17135724 OIDXMNGBAOQHBH-UHFFFAOYSA-N 474.437 3.386 5 40 JGBB O=C(Oc1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408649731 ABQPIGWBMRVLGO-ONGXBYRLSA-N 475.457 3.009 5 40 JGBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408652029 NXQZMUCTCZVASE-WTPJZNEYSA-N 461.474 3.255 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1 408689868 ZGDCOIYPPZTIIA-VQPPSCEASA-N 477.473 3.041 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 9426606 VBCWCCLXGQCXEZ-GOSISDBHSA-N 480.521 3.142 5 40 JGBB COc1cc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc(OC)c1OC 13424395 NNBXNMCFSXQKAB-UHFFFAOYSA-N 459.484 3.147 5 40 JGBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccn2)[C@@H](c2cccc([N+](=O)[O-])c2)CN1C 13592726 NQCFJWSGJWKHTC-WSUBETFTSA-N 458.474 3.374 5 40 JGBB COC(=O)c1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 19855856 DJNBJZXYVHOLCS-UHFFFAOYSA-N 469.475 3.215 5 40 JGBB N=C1NC(=O)/C(=C/c2cc(Br)ccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)S1 408754691 GTWOEDWMTNJNAB-AUWJEWJLSA-N 484.309 3.264 5 40 JGBB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 409000886 ZPXWHUUASFERHD-QFIPXVFZSA-N 482.514 3.219 5 40 JGBB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 8824350 OBWXCDPURBFRFE-UGSOOPFHSA-N 483.930 3.122 5 40 JGBB Cc1onc(C(=O)Nc2cnn(Cc3c(F)c(F)c(F)c(F)c3F)c2)c1Cn1cc([N+](=O)[O-])cn1 22757660 KDBRSPMUZVPHDX-UHFFFAOYSA-N 497.340 3.329 5 40 JGBB C[C@H]1CCCN(c2ccc(C(=O)N3CCN(CC(=O)Nc4ccccc4)CC3)cc2[N+](=O)[O-])C1 23495264 AXJWKYSOBBKSTF-IBGZPJMESA-N 465.554 3.228 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1OCC(F)(F)F 58330781 KGZWHXCNRLJMAR-UHFFFAOYSA-N 462.402 3.349 5 40 JGBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1cc(Cl)ccc1Cl 138804277 WNWBDJHBCJVFQK-NSHDSACASA-N 452.250 3.436 5 40 JGBB Cc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3)n2C)cc1[N+](=O)[O-] 409124224 ANJWQEXBXNPQAF-CQSZACIVSA-N 454.512 3.254 5 40 JGBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 9544799 YDMBSDXJMVEWBC-UHFFFAOYSA-N 491.437 3.379 5 40 JGBB C[C@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)C(=O)Nc1ccccc1[N+](=O)[O-] 13096987 WYYWCABQBBRHRH-JTQLQIEISA-N 450.427 3.288 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c1 24663131 PSRXAEVOPXXSAP-UHFFFAOYSA-N 471.919 3.305 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(Cl)cc1)N1CCC[C@H]21 36322338 ZKVONUSPGCQWCG-AFYVEPGGSA-N 469.881 3.092 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccccc1[N+](=O)[O-] 103001052 YQYRACIVHWUBDO-YYADALCUSA-N 475.461 3.056 5 40 JGBB O=C(Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408649244 ZRHVCGWIJSEWOY-CQSZACIVSA-N 489.415 3.493 5 40 JGBB C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)cc2[N+](=O)[O-])C1 9715204 MMUNYOMKGDMYMR-QGZVFWFLSA-N 488.566 3.104 5 40 JGBB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc4sc5ccccc5c(=O)c4c3)ccc21 12428067 XDRQVVXLAGAARP-UHFFFAOYSA-N 451.529 3.406 5 40 JGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12527971 KGJNXKITYOYLAO-UHFFFAOYSA-N 493.560 3.217 5 40 JGBB COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2ccccn2)[C@@H](c2cccc([N+](=O)[O-])c2)CN1C 17045417 NQCFJWSGJWKHTC-MOADCYBESA-N 458.474 3.374 5 40 JGBB COC(=O)COc1c(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cccc1OC 408536073 XSSSQENVNZXHSB-VCHYOVAHSA-N 486.458 3.074 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408684239 NCKKVCKPPPTOIF-UHFFFAOYSA-N 491.372 3.265 5 40 JGBB CC[C@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224447473 FNRIFUCGNTWHBR-CYBMUJFWSA-N 459.575 3.130 5 40 JGBB CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225859439 LNKYHDNOKKNNDI-KRWDZBQOSA-N 459.446 3.475 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408689583 YRCDZGFPMRZWMH-HZVDNRATSA-N 464.434 3.092 5 40 JGBB COC(=O)c1cc2c(OC)c3cc(C(=O)OC)c(C(=O)OC)cc3c(OC)c2cc1C(=O)OC 3843433 DNGDYHYLOSAKCO-UHFFFAOYSA-N 470.430 3.157 5 40 JGBB biogenic CCOCCCNC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(OC)c(OC)cc12 6143826 WZDUYIVJKIVFSK-UHFFFAOYSA-N 475.505 3.051 5 40 JGBB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 8767743 NRBJLAPMHJLQEX-UHFFFAOYSA-N 465.491 3.408 5 40 JGBB CC(C)CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 9493088 AAGFKMOTVITAQH-UHFFFAOYSA-N 484.527 3.186 5 40 JGBB COc1cc2c(=O)[nH]c3c(C(=O)NCCCOC(C)C)c4nc5ccccc5nc4n3c2cc1OC 11692090 VMVIQQMFDMLPOP-UHFFFAOYSA-N 489.532 3.439 5 40 JGBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 62679067 XERSLMXZQJMBAA-CYBMUJFWSA-N 487.365 3.235 5 40 JGBB Cc1ccc2nc3c(cc(S(=O)(=O)c4ccc(Cl)cc4)c(=N)n3C[C@@H]3CCCO3)c(=O)n2c1 100708091 JVPODEADZBCKQE-INIZCTEOSA-N 484.965 3.102 5 40 JGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Cl)c(Cl)c1 138671134 KEJYJFOCTFWTHG-LLVKDONJSA-N 452.250 3.436 5 40 JGBB O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)Nc1ccc2c(c1)OCCO2 2720074 OLUNIGDYPYIZAB-UHFFFAOYSA-N 498.542 3.291 5 40 JGBB Cc1cc(C(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)n1CCc1ccccc1 8632915 GJCADFSWHGJETL-UHFFFAOYSA-N 489.484 3.278 5 40 JGBB COc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)c(C)cc1[N+](=O)[O-] 9713892 DXKIXWQXVRZHCO-XMMPIXPASA-N 462.462 3.471 5 40 JGBB CCS(=O)(=O)c1ccc(CNC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s1 1682076396 CQBWJOSXJONWJG-UHFFFAOYSA-N 451.448 3.468 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSCc1ccccc1Cl)S(C)(=O)=O 10336102 RNUYNJSAZOTGLH-UHFFFAOYSA-N 471.988 3.372 5 40 JGBB Cc1cc(C)c(C)c(OCCCNC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 12568827 WPHOBGZTWZFGQU-UHFFFAOYSA-N 490.582 3.005 5 40 JGBB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 12792332 FHQRLGOYACKTFJ-UHFFFAOYSA-N 476.511 3.004 5 40 JGBB CCn1c(SCC(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])nnc1-c1ccco1 16043601 OUDJOBIYGHMUPD-UHFFFAOYSA-N 465.875 3.394 5 40 JGBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 18007006 MFVMACPMKKHFOL-FSSWDIPSSA-N 461.430 3.360 5 40 JGBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 33828739 XHZDFTWSVIOKMD-OAHLLOKOSA-N 498.565 3.366 5 40 JGBB COc1ccc(Cn2c(=N)c(C(=O)NCc3ccc(C)cc3)cc3c(=O)n4ccccc4nc32)cc1 101036313 JDLYRNWAKHNBJY-UHFFFAOYSA-N 479.540 3.424 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 101173301 CLXOWWRKZIOLMG-QYQHSDTDSA-N 489.488 3.365 5 40 JGBB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223553914 ZMBHMASCZFVNQY-GOSISDBHSA-N 457.527 3.358 5 40 JGBB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)c1 408535844 XGBIZHASZHVALW-OCKHKDLRSA-N 495.517 3.077 5 40 JGBB CCCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1OCC 9671079 IIWLEWUGNZBXQD-UHFFFAOYSA-N 491.566 3.319 5 40 JGBB CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1 12341891 OHRQYUBNMQUBTK-GOSISDBHSA-N 482.522 3.107 5 40 JGBB O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 12633750 KVKAZPRWIZHULJ-UHFFFAOYSA-N 484.578 3.195 5 40 JGBB CC[C@H](C(=O)NCCOc1ccccc1C(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223823042 WIYSZHMSXSTOCV-HXUWFJFHSA-N 463.556 3.458 5 40 JGBB O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 822839 DWQBMHNLPUYCQJ-HDLCADABSA-N 496.475 3.213 5 40 JGBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O)c1cccc([N+](=O)[O-])c1 2063008 KUAZYXSHYUUWFP-UHFFFAOYSA-N 475.369 3.343 5 40 JGBB C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 9319169 GUBIPGCMLHNXNI-ZDUSSCGKSA-N 458.426 3.257 5 40 JGBB CCn1cc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(=O)c2ccc(C)nc21 9683226 BSIADVRPYDFKLY-GFCCVEGCSA-N 458.858 3.470 5 40 JGBB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 10404872 PKPOLRRWLOIGTI-UHFFFAOYSA-N 460.386 3.121 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 14019442 JIWKPPGAZLKBQO-CYBMUJFWSA-N 453.904 3.296 5 40 JGBB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20611585 QJHPCAABOXYZLL-UHFFFAOYSA-N 491.342 3.283 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O 35844037 LUKHITMRTGBWBF-OETAKHSWSA-N 480.908 3.296 5 40 JGBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccncc2)[C@@H](c2cccc([N+](=O)[O-])c2)CN1C 36331927 ONSLGYPPXYOJSG-OPJGWUQDSA-N 458.474 3.374 5 40 JGBB COc1ccc(OC)c([C@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 223238676 MHIHYTVGDAGCNR-INIZCTEOSA-N 479.555 3.344 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1[N+](=O)[O-] 9129077 KMXAYYPYRVOZNQ-UHFFFAOYSA-N 450.451 3.135 5 40 JGBB O=[N+]([O-])c1ccc(N=P(c2nc3ccccc3o2)(N2CCOCC2)N2CCOCC2)cc1 9090584 SHBRIENPMUKIOF-UHFFFAOYSA-N 457.427 3.389 5 40 JGBB COc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 9113183 BJJNJBMUAIUHSD-UHFFFAOYSA-N 461.540 3.366 5 40 JGBB O=C(Nc1ccc(I)cc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22707314 WVNYZQINWCFXGT-UHFFFAOYSA-N 471.226 3.427 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c([N+](=O)[O-])c1 9631047 BWYMNEUJZITNJN-UHFFFAOYSA-N 480.454 3.076 5 40 JGBB O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccnn1Cc1ccccc1Cl 12606371 NDPQKKDTYZXTSH-UHFFFAOYSA-N 454.918 3.254 5 40 JGBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CC(=O)N(c2ccccc2F)C1 12768539 MRFCOCPSGWADKW-GFCCVEGCSA-N 490.494 3.015 5 40 JGBB Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 16009639 BHHKDNBRFKGAJY-UAKAABGRSA-N 480.908 3.296 5 40 JGBB COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C(=O)NC2CCCC2)c1 224040259 BHJINNVAEPTCFG-KRWDZBQOSA-N 485.537 3.467 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(OCC)cc3)CC2)c([N+](=O)[O-])c1 408576893 YPLFKJFRIOYDLF-UHFFFAOYSA-N 486.550 3.007 5 40 JGBB COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13504002 XBQZWFKFFKCTDB-OAQYLSRUSA-N 451.531 3.257 5 40 JGBB COCCOC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccn2)[C@@H]1c1cccc([N+](=O)[O-])c1 16606547 YAYSOWDYZFPKHO-NRFANRHFSA-N 452.467 3.053 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408685398 PHKIIRAYONYATO-WOJBJXKFSA-N 492.444 3.084 5 40 JGBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 6289389 ICXSVAUYGOKAOE-WOJGMQOQSA-N 484.490 3.449 5 40 JGBB CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC(=O)N(C)Cc1ccc(Cl)s1 23223098 VGGDKNYAOGQDNT-MRXNPFEDSA-N 499.998 3.363 5 40 JGBB Cc1cc(C)cc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@H]43)C2=O)c1 102780798 SQORGOSFASGLRC-FCRVGAKHSA-N 478.505 3.019 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2C=CC=NN12 103538951 VJSXAFRWPGYHOJ-ACESQOTJSA-N 466.453 3.345 5 40 JGBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCCN21 248339903 UFBXMWZFKFEGKW-OETAKHSWSA-N 480.908 3.296 5 40 JGBB COC(=O)CN1C(=O)N/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O 408549107 PFPQTPGGCIQRBY-UDWIEESQSA-N 461.430 3.393 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 408654671 KUISXZQMTDFSIC-LLVKDONJSA-N 482.276 3.445 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 408690028 ZKDLGEQYPAVJOT-YFZFPPMRSA-N 465.437 3.171 5 40 JGBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 409122767 BJWLBDJXXSNHMY-UHFFFAOYSA-N 499.509 3.084 5 40 JGBB CC1=C[C@H]2[C@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2c2ccccc21 8993004 DRNYDDWCKMAVEX-IPVWATMDSA-N 487.512 3.232 5 40 JGBB O=[N+]([O-])c1cccc(S(=O)(=O)N(c2ccc(F)cc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 10034807 FJJYELJQWRYHBX-UHFFFAOYSA-N 481.439 3.226 5 40 JGBB CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccc([N+](=O)[O-])c3)co2)s1 15391438 ZDSHYTWZNODAQU-UHFFFAOYSA-N 462.465 3.260 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 62667502 NSULUPIKSWDBJP-KRWDZBQOSA-N 498.561 3.090 5 40 JGBB C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 9591976 MMDGQDMYQZEJLU-NSPYISDASA-N 450.373 3.408 5 40 JGBB Cc1c(N2C[C@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2CCCCC3)c(=O)n(-c2ccccc2)n1C 27525044 WCYNREJCMNWPNS-VWLOTQADSA-N 462.530 3.043 5 40 JGBB O=C(Nc1ncc(Br)s1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 101112796 HGEWAASUNMOIOQ-IJSSPPKGSA-N 453.322 3.340 5 40 JGBB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 107946822 RRYOSQFOWBGUKY-UHFFFAOYSA-N 474.930 3.346 5 40 JGBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])c(Br)cc1OC 408564409 CQDNUNCVLDSYNX-NQZBTDCJSA-N 476.327 3.378 5 40 JGBB CC1=CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)c3)C(=O)[C@@H]2C1 408658493 JMROCPDPHIWHEW-WQTXXOFMSA-N 489.484 3.399 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408666143 ZYNHGKKKAXNYPJ-UHFFFAOYSA-N 488.412 3.348 5 40 JGBB Cc1cc(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)n1C[C@@H]1COc2ccccc2O1 3545173 TZBZZMATMDWFNE-QGZVFWFLSA-N 475.457 3.332 5 40 JGBB COC[C@H](C)NS(=O)(=O)c1ccc(N2CCCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 9516693 QBFYEQPZBGAQIA-KRWDZBQOSA-N 497.017 3.274 5 40 JGBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] 13117760 GOFIEQZNWWROLZ-UHFFFAOYSA-N 453.480 3.159 5 40 JGBB Cc1cc(=O)n2nc(COC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)sc2n1 21674193 MZLNWDHUELLVBP-UHFFFAOYSA-N 451.464 3.337 5 40 JGBB O=C(N[C@@H](N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 100749135 VQDVFLSYKFJCOM-JMERFSKESA-N 485.755 3.302 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1ccco1 100820983 GWTIOHPKCHGOTG-OLFWJLLRSA-N 482.496 3.403 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(C)cc(Cl)cc43)[C@@H]2C1=O 101263001 HMBXWFXTMTZORJ-UAKAABGRSA-N 480.908 3.296 5 40 JGBB C=C/C=C/OCC(=O)/N=c1/c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc2n1CCCC 102880347 OSFVVTONXUFFIJ-PEBYBREHSA-N 464.522 3.078 5 40 JGBB CC[C@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223634510 VGLCWCLLTQMYGK-JOCHJYFZSA-N 471.535 3.488 5 40 JGBB Cc1ccc(-c2nnc(NC(=O)CN(c3cccc([N+](=O)[O-])c3C)S(C)(=O)=O)s2)cc1 224130509 ZVQXRIOJYLJLNK-UHFFFAOYSA-N 461.525 3.135 5 40 JGBB Cn1c(=O)sc2cc(NC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)ccc21 225025507 XDLWGFJKPYWYIN-UHFFFAOYSA-N 498.542 3.342 5 40 JGBB Cc1cccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c12 913643 FKKMVOAAQGTCPF-IBGZPJMESA-N 457.508 3.115 5 40 JGBB CC(C)(CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 2750917 LRWMFUMCTJUHDD-WGDLNXRISA-N 452.467 3.488 5 40 JGBB Cc1ccc(Cn2c(=N)c(C(=O)NCCc3ccccc3)cc3c(=O)n4ccccc4nc32)cc1 100851383 BEWKYZXROMRRPF-UHFFFAOYSA-N 463.541 3.458 5 40 JGBB O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 103523305 CKFQPTMUNIKVGX-WBADGQHESA-N 466.453 3.356 5 40 JGBB CS(=O)(=O)N(CCCC(=O)NCc1cccc(CN2CCCC2)c1)c1cccc([N+](=O)[O-])c1 224633791 OMNVTVNNPFNMPN-UHFFFAOYSA-N 474.583 3.053 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)cc1 6488909 LSVKJFUKWXRCJA-YMFQVDJJSA-N 463.515 3.015 5 40 JGBB CCOC(=O)[C@H]1CCCN([C@@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(CC)nn3c2O)C1 56952107 IBNCVRCFYJWJCK-YOEHRIQHSA-N 459.528 3.332 5 40 JGBB CCCSc1nnc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)s1 225863851 IWBKKVUZRJTDAK-LLVKDONJSA-N 459.575 3.050 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408656712 IVYVRVMBGQTCNO-YKTUVVHCSA-N 477.473 3.234 5 40 JGBB COc1cc(OC)c(C2=CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3OC)CC2)c(OC)c1 25768206 LVCUSHOWLMMGFM-UHFFFAOYSA-N 464.496 3.107 5 40 JGBB O=c1/c(=C\c2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])sc2nc3ccccc3n12 33417115 VLKXACPJEVJSAE-CPNJWEJPSA-N 479.495 3.133 5 40 JGBB O=C(O)c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 102743384 CKVUZFWTUJPATH-NJYVYQBISA-N 459.414 3.344 5 40 JGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(Cl)c1Cl 408659058 LTDDYECOKSMFSW-LLVKDONJSA-N 452.250 3.436 5 40 JGBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(C)=O 409353891 UBSNJYYKAHALNL-GRSHGNNSSA-N 456.432 3.448 5 40 JGBB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4cc([N+](=O)[O-])ccc4F)CC3)CC2=O)cc1 9426611 QNUNGEKLJFUKBQ-KRWDZBQOSA-N 468.485 3.273 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)c([N+](=O)[O-])c1 9662788 CTBDHTPUSUEWCM-UHFFFAOYSA-N 461.418 3.060 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 139058575 TZYBVYHIOLKVNQ-LLVKDONJSA-N 482.276 3.445 5 40 JGBB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 409156155 SGYFARDRDBTEME-UHFFFAOYSA-N 468.539 3.484 5 40 JGBB CCc1ccc2c(COC(=O)CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)cc(=O)oc2c1 9506857 TWJOUFANJBXYFJ-UHFFFAOYSA-N 492.531 3.007 5 40 JGBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14275942 WRYCUWOYRVDCID-UHFFFAOYSA-N 479.902 3.428 5 40 JGBB O=C(O)c1cc(I)ccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 16449307 NXHDYZDQHDOXTM-UHFFFAOYSA-N 471.232 3.024 5 40 JGBB CC[C@@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222635848 ZDBBMEMSIPTLNM-SFHVURJKSA-N 459.480 3.221 5 40 JGBB COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(C)c1 409315847 JYUUQXDARREMGF-VURMDHGXSA-N 452.423 3.301 5 40 JGBB COc1cc([C@@H]2CC(=O)N=C3N=CNN32)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409378784 RULRRLHTTKPSEO-HNNXBMFYSA-N 474.271 3.121 5 40 JGBB O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1ccc(Cl)cc1 9433929 PKJIPIZXNZKINJ-GCJKJVERSA-N 454.870 3.433 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cc1 21903127 DIPPCWYGOOXABG-LJQANCHMSA-N 488.522 3.030 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(CO)c2)cc1 58316826 ZEKDCQJFVMXFHG-UHFFFAOYSA-N 457.464 3.149 5 40 JGBB COc1cc(/C=C\C(N)=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409416218 IISYQYOYHPVZRY-DAXSKMNVSA-N 454.220 3.286 5 40 JGBB O=C(NCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 9635615 JTZYEMBHUSSFTM-UHFFFAOYSA-N 470.835 3.346 5 40 JGBB Cc1cc(=O)c(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)nn1-c1ccccc1[N+](=O)[O-] 12797659 LTQDZSSNOHCLHF-UHFFFAOYSA-N 485.903 3.200 5 40 JGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)CCCC1=O)c1ccc(Br)cc1 138631543 OKLPILRKKWPYEE-UHFFFAOYSA-N 474.267 3.137 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)cc1 408641242 CBWHJVWUVSATSH-RTBURBONSA-N 467.865 3.440 5 40 JGBB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] 408673522 XFSGSTQKLYKWCC-CZAAIQMYSA-N 489.484 3.317 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1 11027045 XYGQSHOBIDKGMN-UHFFFAOYSA-N 461.525 3.396 5 40 JGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1cc(Cl)ccc1Cl 138804142 WNWBDJHBCJVFQK-LLVKDONJSA-N 452.250 3.436 5 40 JGBB CCCSc1nnc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1 223547476 CTHDLWGSFDJLQQ-UHFFFAOYSA-N 459.575 3.133 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 408688308 VYESZXQSDRFQSD-IQVOZAENSA-N 465.437 3.171 5 40 JGBB CCC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 14411344 ODHHDGJPWGWAMJ-OAHLLOKOSA-N 465.528 3.112 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC3)cc1 15882624 RJFHWHMIIDQCLY-UHFFFAOYSA-N 479.942 3.210 5 40 JGBB O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1-c1ccccc1 35388573 QSCSSOWMYSFXJA-UHFFFAOYSA-N 480.546 3.207 5 40 JGBB C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4Cl)C3=O)[C@@H]2[C@@H](C)O1 102780108 MYYHYCWOZXBTFS-BUSGDNOQSA-N 484.896 3.056 5 40 JGBB CCCSc1nnc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)s1 223443015 LBYXIIBCCSKDEL-UHFFFAOYSA-N 473.602 3.442 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 408657364 PGTPRURKEBETOX-MRXNPFEDSA-N 463.446 3.291 5 40 JGBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(C(=O)c2ccccc2)CC1 32863407 RITWWCLVYLYNED-UHFFFAOYSA-N 465.432 3.193 5 40 JGBB Cc1ccc(-c2noc(CN3CCN(CCC(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 32903214 ALEWYAMMPKPUQP-UHFFFAOYSA-N 450.499 3.100 5 40 JGBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccco4)c(=N)n(Cc4ccc(F)cc4)c3nc12 101149326 BGUDNLRMVRFWHF-UHFFFAOYSA-N 457.465 3.147 5 40 JGBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)cc1 223197544 LSLFMWDXIYKAEN-BJKOFHAPSA-N 492.605 3.475 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccccc4Cl)c3[nH]2)C1 1334746 RHJBHSCJJXGZTB-OAHLLOKOSA-N 493.911 3.144 5 40 JGBB O=C(Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1)c1ccccc1[N+](=O)[O-] 3664908 KNWACSMJIUEAOV-UHFFFAOYSA-N 458.521 3.408 5 40 JGBB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 8836280 YRFSDQUPWNJDSA-HKBFDHSMSA-N 482.103 3.361 5 40 JGBB O=C(NCCc1nnc2ccccn12)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 11545988 TZGMFIUOIIPFMY-UHFFFAOYSA-N 462.432 3.232 5 40 JGBB COc1cccc(-c2csc(N3CCN(CC(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)n2)c1 57688640 MJOKAWOOKASKAS-UHFFFAOYSA-N 453.524 3.488 5 40 JGBB COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 100957784 BXGRRDAMTIFNNK-VSKRKVRLSA-N 473.441 3.433 5 40 JGBB COc1ccc(CCn2c(=N)c(C(=O)NCC(C)C)cc3c(=O)n4cccc(C)c4nc32)cc1 101162514 UBXOYHSZKHTMLN-UHFFFAOYSA-N 459.550 3.074 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)CCOc1ccccc1 103627972 VJDUMNNSUVLOEH-COOPMVRXSA-N 474.517 3.303 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(F)cc1 408644619 HCNAZLUIRDKZMQ-AEZRXPCCSA-N 489.459 3.027 5 40 JGBB COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCc2cccc([N+](=O)[O-])c2)c1 3318275 CAXZRZCSYXNEAU-UHFFFAOYSA-N 458.448 3.467 5 40 JGBB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 8881879 ZDKUEJSWEFASHO-UHFFFAOYSA-N 490.534 3.312 5 40 JGBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 9350256 UFBXMWZFKFEGKW-VEBYGKHWSA-N 480.908 3.296 5 40 JGBB CC(=O)N1CCCN(c2ccc(S(=O)(=O)Nc3ccccc3OC(F)F)cc2[N+](=O)[O-])CC1 9468158 UKMBCQZVGHCSEV-UHFFFAOYSA-N 484.481 3.056 5 40 JGBB CCOC(=O)c1cc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)ccc1Cl 38772281 DGRUFWNAFSAXIG-UHFFFAOYSA-N 469.903 3.138 5 40 JGBB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])CC1=O 408668895 VTVABTJNORHEHF-QGZVFWFLSA-N 469.494 3.263 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cccc(C(=O)Nn3c(C)ccc3C)c2)CC1=O 408683841 MHYOSHNNHWHDTN-SFHVURJKSA-N 491.504 3.397 5 40 JGBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 409202933 VGWLOZBUUKFQNX-GIJQJNRQSA-N 471.447 3.050 5 40 JGBB COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 629006 CXORZIXYLGMBKX-AUUYWEPGSA-N 450.875 3.378 5 40 JGBB CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCc1ccc([N+](=O)[O-])cc1 9306323 WTKVGVKHFRQGDH-UHFFFAOYSA-N 457.512 3.446 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 9507374 HDRZXKBDOCTHLP-UHFFFAOYSA-N 462.528 3.137 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(OC)cc2)c([N+](=O)[O-])c1 16764491 RLHNMUHPHHSIOO-CQSZACIVSA-N 451.501 3.040 5 40 JGBB C[C@H](OC(=O)CCNC(=O)CCC(=O)c1cccs1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 49574814 QPTLVMCHVSIUDO-LBPRGKRZSA-N 481.914 3.349 5 40 JGBB Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@H]43)C2=O)c1C 102783052 YCCGVXCMFMUAAV-QVIDSDTFSA-N 478.505 3.019 5 40 JGBB COC(=O)c1cccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c1 409372530 MEEWHHZIXXRVSS-YPHDTHBOSA-N 454.438 3.258 5 40 JGBB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1[N+](=O)[O-] 2641349 KROMZLGSCFRFQZ-UHFFFAOYSA-N 458.323 3.357 5 40 JGBB Cc1ccc2nc(C)c(C(=O)N3CCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4C)CC3)cc2c1 12753668 NZWRNGANXRSUKI-UHFFFAOYSA-N 468.535 3.215 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 13159102 WOKFVVLOLKEMAE-HZPDHXFCSA-N 490.534 3.332 5 40 JGBB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 8831688 XTDXAEIBPPHCNA-UHFFFAOYSA-N 461.931 3.044 5 40 JGBB CCOC(=O)N1CCC[C@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 30547911 UYOPVWHHMAQQGF-AWEZNQCLSA-N 458.437 3.131 5 40 JGBB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)cc1[N+](=O)[O-] 40399306 PDTNMBOTBMIIFL-AWEZNQCLSA-N 468.857 3.448 5 40 JGBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(F)cc1 409132603 KXQQRXGKMKBLID-UHFFFAOYSA-N 458.475 3.006 5 40 JGBB COc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 839671 ZMCVGSSUPNZDIT-UHFFFAOYSA-N 455.492 3.115 5 40 JGBB Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)n2)cc1 2664515 WJGFXGKZYAOODI-UHFFFAOYSA-N 475.504 3.226 5 40 JGBB Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1NC(=O)c1cccc([N+](=O)[O-])c1 8836254 FWUWANXSRJSFPH-UHFFFAOYSA-N 488.485 3.292 5 40 JGBB Cc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4cccc([N+](=O)[O-])c4)nn23)cc1 9578480 YIXUDZCLOLPBCO-UHFFFAOYSA-N 491.533 3.044 5 40 JGBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2ccc(C(=O)O)c(O)c2)CC1 20153272 KMFLSBMTKPDTBW-UHFFFAOYSA-N 458.496 3.362 5 40 JGBB CCOC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 30547909 UYOPVWHHMAQQGF-CQSZACIVSA-N 458.437 3.131 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2cccc(C(C)=O)c2)c1 408662545 JQCCFMVSDORXKA-UHFFFAOYSA-N 457.439 3.097 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408684840 OFNUETFYLXMJOZ-MJGOQNOKSA-N 492.444 3.084 5 40 JGBB COc1ccc(N(CC(=O)NCc2ccccc2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 853200 DIALWNIRPSEJKK-UHFFFAOYSA-N 499.545 3.432 5 40 JGBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2OC(F)F)cc1[N+](=O)[O-] 9315442 QOMSCCNHRPYQOH-UHFFFAOYSA-N 495.359 3.241 5 40 JGBB O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12)Nc1cccc([N+](=O)[O-])c1 9519816 KDNVQGDCGUGVKV-UHFFFAOYSA-N 498.561 3.365 5 40 JGBB Cc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 9597170 IGNBLXPLLOIWMP-IBGZPJMESA-N 453.451 3.096 5 40 JGBB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc2)C[C@H](C)O1 10899189 IYDYIDDJSUHETJ-GJZGRUSLSA-N 481.958 3.318 5 40 JGBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(-c4ccccc4)cc3)CC2)c1 13108036 QVOWBXFVRAXOKN-QHCPKHFHSA-N 497.573 3.008 5 40 JGBB Cc1ccc(Cn2c(=N)c(S(=O)(=O)c3ccccc3)cc3c(=O)n4ccccc4nc32)cc1 100851358 MVYVYNLUIBZJPY-UHFFFAOYSA-N 456.527 3.318 5 40 JGBB Cc1c(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 223651115 MDAWHUDAJVUFHB-UHFFFAOYSA-N 463.556 3.162 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]21 408666662 RLRKTYHRGRQJAJ-XWRIVVANSA-N 463.446 3.092 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O 408683845 MIGNTUFCDLWDOP-HZPDHXFCSA-N 452.423 3.236 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CN2CCOCC2)n1-c1ccccc1 409209362 DWLHYLDUZCUGDN-UHFFFAOYSA-N 468.539 3.047 5 40 JGBB O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCC(=O)N1CCC(Cc2ccccc2)CC1 9545099 VMOGCNGUHCRUPQ-UHFFFAOYSA-N 473.913 3.003 5 40 JGBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1=O 15236606 HYIGYQBNWURXQJ-OFVILXPXSA-N 461.474 3.469 5 40 JGBB CCCn1/c(=N\C(=O)CCc2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103627818 SHTZWTGRGLWFGH-COOPMVRXSA-N 458.518 3.296 5 40 JGBB C[C@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223631893 ZVPNFRQHZBBAMA-MRXNPFEDSA-N 457.508 3.098 5 40 JGBB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1cc(C(=O)c2cc(C)ccc2O)cn1 9690687 GSHMPZOVEWQDFF-UHFFFAOYSA-N 458.496 3.056 5 40 JGBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4Cl)c(=N)n(C[C@@H]4CCCO4)c3nc12 13770516 LFYFSRQJDXPRTP-KRWDZBQOSA-N 477.952 3.199 5 40 JGBB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)OCc3cccc([N+](=O)[O-])c3)ccc2Cl)C[C@@H](C)O1 16043592 LQKKNDJLZJYNSY-OKILXGFUSA-N 468.915 3.403 5 40 JGBB COc1ccc(Cl)cc1N1C[C@H](C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 25054068 UBUBCGQTNAWONS-QWHCGFSZSA-N 461.858 3.180 5 40 JGBB CC1CCN(S(=O)(=O)c2ccc(N[C@@H](C)c3ccc4[nH]c(=O)[nH]c4c3)c([N+](=O)[O-])c2)CC1 40119624 ZNCWXXBXTMYQNL-AWEZNQCLSA-N 459.528 3.358 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3C)CC2)c([N+](=O)[O-])c1 408572556 JYTUSDSNZHYHFB-UHFFFAOYSA-N 461.902 3.461 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 408651831 BIIOWXOGOQOVDM-WWLNLUSPSA-N 477.473 3.234 5 40 JGBB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)cc1[N+](=O)[O-] 3594558 TUCWWSNJPUJXEU-IBGZPJMESA-N 461.272 3.071 5 40 JGBB CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1 9141243 NQEZRODLOWECEQ-UHFFFAOYSA-N 452.539 3.186 5 40 JGBB O=C(c1sccc1-c1ccccc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 12995887 DJXPBHGDSBSLAG-UHFFFAOYSA-N 457.533 3.470 5 40 JGBB Cc1cc(Cl)c2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21 35851747 SNEZOXROAPVRQK-PLOUGOBLSA-N 480.908 3.296 5 40 JGBB O=C(COC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)Nc1cccc([N+](=O)[O-])c1 408647574 VAZIODBQWIDQNO-NSHDSACASA-N 452.250 3.436 5 40 JGBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1 408669418 VZBJAJJZGOHYFO-KDURUIRLSA-N 451.435 3.070 5 40 JGBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2cccc(C(=O)O)c2)n[nH]1 409159737 WUZDSTCVHMEOCU-SFHVURJKSA-N 498.521 3.269 5 40 JGBB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCCNc1ccccc1[N+](=O)[O-] 12557842 SRDYXWZXJFRVSK-UHFFFAOYSA-N 496.545 3.197 5 40 JGBB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 22753649 LXCPGKLRISWTJR-UHFFFAOYSA-N 494.577 3.489 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)cc1 408685661 PSJIWODDYKZBQY-SFTDATJTSA-N 477.473 3.185 5 40 JGBB O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1cccc([N+](=O)[O-])c1 11617087 LWTYWGXNNLQYRC-UHFFFAOYSA-N 475.457 3.038 5 40 JGBB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1cc(C(=O)c2cc(Cl)ccc2O)cn1 13129645 WYECELYIJYZOOP-UHFFFAOYSA-N 478.914 3.401 5 40 JGBB Cc1noc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1C 19419344 XBUCWHYDIKCZRT-UHFFFAOYSA-N 486.915 3.455 5 40 JGBB Cc1ccc(-c2noc(CCCN3CCN(S(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)CC3)n2)cc1 32916578 CVWAJSRERKDRAS-UHFFFAOYSA-N 485.566 3.201 5 40 JGBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1 223197197 OWAZLKHOGFXFCY-DNQXCXABSA-N 492.605 3.475 5 40 JGBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 2502203 PRPIDUWQFVQNJG-UHFFFAOYSA-N 459.505 3.147 5 40 JGBB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)Nc1cc([N+](=O)[O-])ccc1Cl 13572106 PBHDENQBQJEJNP-OLZOCXBDSA-N 478.983 3.486 5 40 JGBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)cc1 32124668 RXUGMUMEXVYITF-WQRHYEAKSA-N 489.531 3.363 5 40 JGBB COc1ccc(CCNS(=O)(=O)c2cc3c(=O)nc4ccc(C)cn4c3cc2Cl)cc1 40158804 PTSBWDJTDAKPEW-UHFFFAOYSA-N 457.939 3.339 5 40 JGBB C[C@@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)O1 89930276 YLRQWDZHGBMNKY-CHWSQXEVSA-N 453.904 3.298 5 40 JGBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccc(F)cc4)c(=N)n(CCCOC(C)C)c3nc12 101160249 ZIBYYDYHKJMNPH-UHFFFAOYSA-N 477.540 3.321 5 40 JGBB COc1cccc(-c2csc(N3CCN(CC(=O)Nc4cccc([N+](=O)[O-])c4)CC3)n2)c1 1349818 RKEAWVAQUBKLFV-UHFFFAOYSA-N 453.524 3.488 5 40 JGBB O=C(COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(Cl)cc1Cl 3261880 MYPVROAKKDYNBH-UHFFFAOYSA-N 466.233 3.070 5 40 JGBB Cc1cc(C(=O)OCC[C@@H]2CCCCN2C2=NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] 3583409 OZEOXSLYMDLCBD-KRWDZBQOSA-N 457.508 3.454 5 40 JGBB CC[C@@H](C)c1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 9508458 IFIVMQRCGRTXCL-QGZVFWFLSA-N 461.540 3.162 5 40 JGBB C[C@H]1CCCN(c2ccc(C(=O)OCc3cccc(S(=O)(=O)N(C)C)c3)cc2[N+](=O)[O-])C1 12541351 VQUSGESSRISRPU-INIZCTEOSA-N 461.540 3.438 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)[C@H](C)Oc1ccccc1 101176642 LJBPAWVGLJAPJD-KJMYOLMGSA-N 488.544 3.377 5 40 JGBB CCCCOc1ccc(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 253486980 BWRDWAGCVSNESM-MLCQCVOFSA-N 488.500 3.371 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 3044958 DYJOGQLSIXGPBX-UHFFFAOYSA-N 498.473 3.487 5 40 JGBB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@@H]3c4ccccc4C=NN23)cc1 9428061 HTTAJJBTILUYAS-NAVOZUGXSA-N 496.479 3.365 5 40 JGBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)NCCCNc1ccc([N+](=O)[O-])cc1Cl 9434553 CLEZZFPADHPYSY-UHFFFAOYSA-N 451.867 3.463 5 40 JGBB O=[N+]([O-])c1ccc(N2CCN([C@H](c3ccccc3F)c3nnnn3Cc3ccco3)CC2)cc1 13505101 NERGQOQDMHRNSW-JOCHJYFZSA-N 463.473 3.273 5 40 JGBB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225277440 AEAUSNVWOJOVFO-IBGZPJMESA-N 461.490 3.455 5 40 JGBB O=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2737599 AZUDHFSJMCCZGC-UHFFFAOYSA-N 494.445 3.499 5 40 JGBB O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8835499 JDNPCQUEYJHNOZ-UHFFFAOYSA-N 483.319 3.460 5 40 JGBB Cc1cc(=O)c(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)nn1-c1ccccc1[N+](=O)[O-] 21601027 KVYKKOYEXDVNSE-HXUWFJFHSA-N 478.896 3.355 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)c1 408667514 UGWMEURVBGGGNV-HDICACEKSA-N 481.461 3.079 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408684838 OFNUETFYLXMJOZ-IEBWSBKVSA-N 492.444 3.084 5 40 JGBB O=[N+]([O-])c1ccccc1Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1 9113758 LYBLRLJPHKNEDH-UHFFFAOYSA-N 468.314 3.232 5 40 JGBB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)C)c1 12645667 QVEFHOJPZHMFJF-FQEVSTJZSA-N 493.900 3.202 5 40 JGBB Cn1cnnc1Sc1ccc(C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)cc1[N+](=O)[O-] 33480049 SVLGHTMAPZXTHR-UHFFFAOYSA-N 494.514 3.454 5 40 JGBB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)cc1[N+](=O)[O-] 40399305 PDTNMBOTBMIIFL-CQSZACIVSA-N 468.857 3.448 5 40 JGBB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3[C@@H]3O[C@@]132 61992870 JBMNDNNOKRMRPC-YZASHPNZSA-N 455.555 3.242 5 40 JGBB biogenic O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)N1CCCC1 106770161 WWTCVRYPROVRMI-BOPFTXTBSA-N 454.464 3.441 5 40 JGBB CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225859456 LNKYHDNOKKNNDI-QGZVFWFLSA-N 459.446 3.475 5 40 JGBB O=C1N(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2ccccc2C12OCCCO2 226760947 QHIXSKUNCZNFQV-UHFFFAOYSA-N 492.454 3.330 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)cc1 408641861 DEXPADJCOZGTHN-CNDZOEFASA-N 461.474 3.341 5 40 JGBB Cc1nc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1I 8831067 GWIYLQCLVGBZRA-UHFFFAOYSA-N 456.265 3.338 5 40 JGBB CCOC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)OC4(CCCCC4)OC3=O)[C@@H]2C1 9111602 MNBNVJSJKUHPGM-BEFAXECRSA-N 472.494 3.046 5 40 JGBB O=C(OCC(=O)c1ccc(Br)s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9114232 BRJDQDVXEPRULB-UHFFFAOYSA-N 455.286 3.295 5 40 JGBB CC(C)(C)NC(=O)CN1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 23240791 VUHRLIVMAWDQLS-UHFFFAOYSA-N 453.543 3.401 5 40 JGBB CC[C@H](Sc1nnc(CNC(=O)c2cccc(C)c2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 9583168 IGRMOXWQPLYVAW-SFHVURJKSA-N 468.539 3.471 5 40 JGBB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1[N+](=O)[O-] 14271810 BKCTUOHNJKZMIJ-UHFFFAOYSA-N 463.947 3.135 5 40 JGBB O=C(Cc1ccccc1)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16478581 IWVBBQOOHJFHDI-UHFFFAOYSA-N 452.458 3.379 5 40 JGBB O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(CN2C(=O)CCC2=O)cc1 23299205 LYGDSJVFRUKTML-UHFFFAOYSA-N 493.497 3.329 5 40 JGBB COc1cc(C(=O)NCc2ccc(-n3cnc4ccccc43)nc2)c([N+](=O)[O-])c(OC)c1OC 58139300 QDTVFOHYDQFDQH-UHFFFAOYSA-N 463.450 3.285 5 40 JGBB N=c1c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(Cl)cc1 101161442 SVFBVCISAMDQRI-UHFFFAOYSA-N 470.920 3.155 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@H](C(=O)Nc3ccccc3)[C@@H]2C1=O 101344341 BMHBAANJEBYHQF-KEZOAJOQSA-N 495.495 3.421 5 40 JGBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)cc1[N+](=O)[O-] 138781524 VBMKTKTZXLUJSF-CYBMUJFWSA-N 476.283 3.201 5 40 JGBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408549792 ZCIQRKCRQHMSJU-RQZCQDPDSA-N 489.868 3.292 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1[N+](=O)[O-] 408658141 HVUNHHNKVIXXTB-QDGJQWLKSA-N 475.457 3.010 5 40 JGBB CC(C)c1ccc(OCC(=O)NCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)cc1 409166509 CUVJYSMYLFXVCW-UHFFFAOYSA-N 498.565 3.273 5 40 JGBB CCCc1nc(N(C)CCc2ccccc2)ncc1C(=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 585265209 BIELVJQFMMPOES-UHFFFAOYSA-N 483.550 3.135 5 40 JGBB O=c1nc2c3ccc4c(=O)n5c(=O)c6ccccc6nc5c5ccc(c(=O)n2c2ccccc12)c3c45 5220992 WDWQIWOUUZFERR-UHFFFAOYSA-N 468.428 3.064 5 40 JGBB biogenic CC(C)OC(=O)C[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccccc1[N+](=O)[O-] 32821042 HDSSPDRAWBVCJW-LJQANCHMSA-N 452.467 3.277 5 40 JGBB CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)c3)nn12 57316408 LGYICTBETRDPHL-UHFFFAOYSA-N 453.509 3.450 5 40 JGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCOCc1ccccc1 223525987 RGGGVBHMLFJOKH-UHFFFAOYSA-N 469.519 3.123 5 40 JGBB CC[C@@H](C(=O)NCc1cccc(CN2CCCC2)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224632547 DCBHYUSCGQNCJH-QFIPXVFZSA-N 474.583 3.052 5 40 JGBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408646830 IWLSBYSFAFNSNE-IAGOWNOFSA-N 467.865 3.440 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408659669 MPBANKPQPMHUQA-KDURUIRLSA-N 463.446 3.154 5 40 JGBB CCOc1ccc(Oc2cc(NC(=O)Cn3cnc([N+](=O)[O-])c3[N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 8434995 MCKHQOZUVGQYBT-UHFFFAOYSA-N 472.370 3.437 5 40 JGBB COc1ccc(OC)c(C(=O)COC(=O)[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(C)C)c1 12782429 IMHZDPKRLRIJKG-FQEVSTJZSA-N 478.885 3.446 5 40 JGBB CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 14271623 UTQBUTRCGHZUTE-UHFFFAOYSA-N 455.540 3.026 5 40 JGBB O=c1c2cc3c(=O)n(-c4nc(C5CCCCC5)n[nH]4)ccc3nc2ccn1Cc1ccncc1 40399032 KPQLXJFDAKXDOV-UHFFFAOYSA-N 453.506 3.310 5 40 JGBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(-c4ccccc4C)c(=O)c3cc2c1=O 40399126 HBFCRDPZFRPUNP-UHFFFAOYSA-N 455.474 3.206 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)C(c1ccc([N+](=O)[O-])cc1)=NN2c1ccccc1 103920127 LBLFAHLMBWKSMM-UNMCSNQZSA-N 487.428 3.294 5 40 JGBB CCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 408667199 RZVDKZTYFDPOHE-UHFFFAOYSA-N 457.439 3.062 5 40 JGBB Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 408685666 PTYKSOODLQPTMI-GOSISDBHSA-N 461.478 3.389 5 40 JGBB CC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 260815121 SGFJEXOINOXXRZ-KDOFPFPSSA-N 495.554 3.043 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408681676 IDPFHPSEMSTABE-ZMYBRWDISA-N 466.450 3.482 5 40 JGBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 409153673 DRZSFLTVEBLLJX-SFHVURJKSA-N 499.509 3.479 5 40 JGBB COc1ccc(NC(=O)C2=C(C)Nc3nc(CCCO)nn3[C@@H]2c2ccccc2[N+](=O)[O-])cc1 9637238 NNNCAZKQLDYNTB-OAQYLSRUSA-N 464.482 3.047 5 40 JGBB Cc1sc2ncn(CC(=O)Nc3ccc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)c2c1C 21336366 KJWYARPZVWSAIF-UHFFFAOYSA-N 498.542 3.455 5 40 JGBB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 138752809 CUZWPBRPUGKHNK-ZDUSSCGKSA-N 461.858 3.100 5 40 JGBB Cc1ccc(C)c(OCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 224038813 ZXKAQZJMIVNMAF-UHFFFAOYSA-N 463.556 3.261 5 40 JGBB CS(=O)(=O)N(CCCC(=O)NCc1ccccc1CN1CCCC1)c1cccc([N+](=O)[O-])c1 224798072 OAXQGVWKRMUULI-UHFFFAOYSA-N 474.583 3.053 5 40 JGBB CCOc1cc(Br)c([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC 408570065 YKHRVHJUFULXGO-JBZDTAIVSA-N 476.327 3.378 5 40 JGBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408660649 WQWMZZKCLSSGPO-SOSNMWEESA-N 491.500 3.263 5 40 JGBB COc1c(CN2C(=O)c3ccccc3C2=O)cc([N+](=O)[O-])cc1CN1C(=O)c2ccccc2C1=O 727150 DCMPXYRRGOXJMM-UHFFFAOYSA-N 471.425 3.196 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl 16682423 RJWKHNHKTTZRJP-OBXYEHHASA-N 499.932 3.066 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 19868229 HBJCRKJKRKSFCG-UHFFFAOYSA-N 467.931 3.437 5 40 JGBB C[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1F 23280742 LSJDDQCNIWPOLA-LLVKDONJSA-N 482.262 3.187 5 40 JGBB O=C(/C=C\c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 102146997 DOFKZIWJZKIRRD-CILADFHVSA-N 474.429 3.466 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 408573189 MQWLXFGRASOGTJ-DHZHZOJOSA-N 468.535 3.008 5 40 JGBB S=C(Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4)N1CCN(c2ccccn2)CC1 408995127 JHUCDXKDXXASDK-UHFFFAOYSA-N 458.547 3.468 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 9546109 WWQHETUOJIJRMY-UHFFFAOYSA-N 485.474 3.063 5 40 JGBB COc1cc(CCNC(=O)c2sccc2NC(=O)c2ccncc2)c([N+](=O)[O-])cc1OC 36395856 XPYBXFUJJKMGHQ-UHFFFAOYSA-N 456.480 3.293 5 40 JGBB N=c1c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1Cl 101224031 DYGQWDHSBSDFNC-UHFFFAOYSA-N 470.920 3.155 5 40 JGBB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 408669839 PANWMVKRJSJMTE-CYBMUJFWSA-N 476.283 3.201 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408686302 RJXFULXJCWQCHC-KLDKWKSESA-N 461.474 3.174 5 40 JGBB CC(C)[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCOCC1 12558573 MPDBVFNCLHYIFD-FQEVSTJZSA-N 472.508 3.303 5 40 JGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(OC(=O)c2ccco2)cc1 408657004 TVVJMFJPOBYQHM-MRXNPFEDSA-N 478.413 3.186 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)CC1=O 408672851 XNMSGHAFLLGPJX-GFCCVEGCSA-N 481.383 3.157 5 40 JGBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCCn1ccnc1 8964672 TZWXERXTGQRKCD-DHLKQENFSA-N 484.516 3.048 5 40 JGBB biogenic CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 10010457 OQSWUGBURJVBDL-UHFFFAOYSA-N 487.944 3.006 5 40 JGBB CC[C@@H](C)N(C(=O)COc1ccc([N+](=O)[O-])cc1-c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 13114348 TUZCTCLDRNQQIT-APWZRJJASA-N 476.551 3.463 5 40 JGBB COC(=O)c1c(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)nc3ncnn23)sc(C)c1C 36619416 IMUKLNAFKMSQBK-UHFFFAOYSA-N 452.452 3.417 5 40 JGBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CSc3ccc(Br)cc3)cc21 408543549 PWXFWBUOPUZZMV-UHFFFAOYSA-N 451.302 3.279 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(SC)cc1 2681549 SLVMWNQJQJUPCG-FNGUVFISSA-N 495.582 3.428 5 40 JGBB CC(=O)NC(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)(C(F)(F)F)C(F)(F)F 8445282 NSJHAOMYGBLJII-UHFFFAOYSA-N 492.379 3.253 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1cccs1 9210545 AZJSROGLQIWJBR-HPNDGRJYSA-N 494.573 3.444 5 40 JGBB COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Br 12811677 YADZQLLLAZYVNU-UHFFFAOYSA-N 475.255 3.347 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(CC(=O)O)CC(c2ccc(Br)cc2)=NO1 15973415 CQZOVNLGZXSIBB-LJQANCHMSA-N 478.255 3.343 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O 18098588 UHBWMFJLDKFMTC-BQJUDKOJSA-N 460.490 3.397 5 40 JGBB O=C(CN1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1)Nc1ccccc1C(F)(F)F 25923974 MYJDUUZPAOMAGD-UHFFFAOYSA-N 490.442 3.420 5 40 JGBB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C(=O)O[C@@H]1C2 64062058 JVEWLFXQCRLVCY-AOXIAENHSA-N 455.555 3.244 5 40 JGBB COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccc(F)cc3)c2=N)cc1 101176367 MOBXIPYKEVJNBC-UHFFFAOYSA-N 497.530 3.297 5 40 JGBB COc1ccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 9120238 SMEUEBMJXVCDKH-UHFFFAOYSA-N 463.493 3.205 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3CCCN3[C@H](C(=O)c3ccc(Cl)cc3)[C@@H]2C1=O 9348860 PVYHLQMIDHACIG-QLIIJSOBSA-N 469.881 3.092 5 40 JGBB Cc1c(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cccc1[N+](=O)[O-] 14273769 GCCIEXQDRJQPLV-UHFFFAOYSA-N 474.411 3.436 5 40 JGBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 25040340 QXUFWMXYNJHWNC-UHFFFAOYSA-N 494.776 3.219 5 40 JGBB COc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 33658065 BUQVLBFIVYANJG-UHFFFAOYSA-N 483.594 3.431 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 138619359 SZQCQWKDHPAQFJ-DKSSEZFCSA-N 467.453 3.395 5 40 JGBB COc1ccc(OC)c([C@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 224847208 VBNIDPMOWDDBTC-HNNXBMFYSA-N 495.554 3.044 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)c1 408654434 BOUZGSQWPNSSME-NIKGAXFTSA-N 495.488 3.325 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408678118 CPAAHHBVVBAOKD-ROUUACIJSA-N 450.407 3.012 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408679809 FIXCUJNESDNYGF-DKSSEZFCSA-N 494.460 3.164 5 40 JGBB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 9289315 UKMDJHVAGQOUHI-UHFFFAOYSA-N 475.445 3.142 5 40 JGBB C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc(CN4CCOCC4)cc3)cc2[N+](=O)[O-])C1 16214355 HESKPKKMLFXUFE-LJQANCHMSA-N 496.564 3.459 5 40 JGBB Nc1c(C(=O)NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc(F)cc1[N+](=O)[O-] 78724109 FFQAGEAEIDDNMN-KRWDZBQOSA-N 456.396 3.138 5 40 JGBB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])cc1 408663181 LUNMRZBYFOZVKF-UHFFFAOYSA-N 487.465 3.071 5 40 JGBB O=[N+]([O-])c1ccc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1NCCO 8817819 CCRXWNIORWCGHP-UHFFFAOYSA-N 455.393 3.253 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1cccs1 9209413 VGZHDCHDPFCRLC-XLVJDEHFSA-N 492.557 3.116 5 40 JGBB O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 11443107 RWUFVWOCAGFBFD-UHFFFAOYSA-N 499.904 3.357 5 40 JGBB CC1([N+](=O)[O-])COC2(OC1)C(=O)N(CN1CCC(Cc3ccccc3)CC1)c1ccccc12 15226434 QAKAAIGLQHQTGZ-UHFFFAOYSA-N 451.523 3.180 5 40 JGBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21 16001712 UFBXMWZFKFEGKW-NARGUJOISA-N 480.908 3.296 5 40 JGBB CCOC(=O)c1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)sc2c1CCN(C)C2 26843125 LTAXUCMXJOFPJO-UHFFFAOYSA-N 457.464 3.180 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccc(OC)cc1 100820834 AMHZXVMPZUGILF-QYQHSDTDSA-N 460.490 3.157 5 40 JGBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1 223154417 HJWFJJDCOYMEEE-GOTSBHOMSA-N 478.578 3.085 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1 408640325 AQPGJJVGEZEBCA-LVNJIZSUSA-N 479.876 3.295 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3CC=C(C)C[C@H]3C2=O)cc1 408676613 BAGBIBPFGXPDHJ-AZUAARDMSA-N 477.473 3.185 5 40 JGBB CCCNS(=O)(=O)c1cccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 9891547 KMQOKVUKSFJUQZ-UHFFFAOYSA-N 474.461 3.144 5 40 JGBB COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 13504012 HETZPXYMPOAJPY-JOCHJYFZSA-N 481.557 3.265 5 40 JGBB Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cccc1[N+](=O)[O-] 14271632 PLAIKFSLSQDJNN-UHFFFAOYSA-N 469.567 3.335 5 40 JGBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCCN21 35124460 UQMNCONZWQQSDX-FLFXDLLNSA-N 480.908 3.296 5 40 JGBB CCOCCCn1/c(=N\C(=O)c2cccc(F)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101136382 GWENAYCWBQBRGJ-FAJYDZGRSA-N 492.507 3.133 5 40 JGBB CCCn1/c(=N\C(=O)c2ccc(OCC)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176354 FWVIJSYAAZVGRQ-NFFVHWSESA-N 474.517 3.376 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3CC=C(C)C[C@H]3C2=O)cc1 408685658 PSJIWODDYKZBQY-LEWJYISDSA-N 477.473 3.185 5 40 JGBB COC(=O)c1ccc(CNC(=O)COC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 9579837 BIIVRZQIAJSHNZ-MRXNPFEDSA-N 469.494 3.091 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(CC(=O)O)CC(c2ccc(Br)cc2)=NO1 13592341 CQZOVNLGZXSIBB-IBGZPJMESA-N 478.255 3.343 5 40 JGBB CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 62595316 QTAHBZBQTITEML-QGZVFWFLSA-N 499.543 3.441 5 40 JGBB COc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccccc3)c2=N)cc1 101143904 ACUMJZXDESGJNS-UHFFFAOYSA-N 479.540 3.424 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)CC1=O 138522573 FZHSROJGNNYTJE-ZDUSSCGKSA-N 461.858 3.100 5 40 JGBB CC(C)c1ccccc1OCCNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223824600 IYXUCEZJVGBEQM-UHFFFAOYSA-N 463.556 3.460 5 40 JGBB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)c3)C(=O)[C@H]12 408656559 FPIUNHQBLJOPEZ-IHJXWSBQSA-N 489.484 3.400 5 40 JGBB Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)c(C)c1 9187868 LCICRFYDKGVTOL-PKHCBNPCSA-N 478.505 3.019 5 40 JGBB Cc1cc(C)cc(OCCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 9245399 FLFHZIROORIFFZ-UHFFFAOYSA-N 450.513 3.080 5 40 JGBB CCOC(=O)c1sc(NC(=O)COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C(=O)OCC)c1C 9539437 LVLRAKVEVROHMS-UHFFFAOYSA-N 494.478 3.122 5 40 JGBB CC(=O)N1CCN(c2ccc(C(=O)NCc3ccc(OC(F)(F)F)cc3)cc2[N+](=O)[O-])CC1 12590596 UYWIMJRUGNHPDA-UHFFFAOYSA-N 466.416 3.092 5 40 JGBB C[C@H](OC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCc2ccccc21 16319129 OSLGKUZHNGTKFO-HRAATJIYSA-N 453.495 3.171 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2C=CC=NN21 18023286 IEMYXSMWOYTNJU-CADBVGFASA-N 485.283 3.499 5 40 JGBB Cc1c(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cccc1[N+](=O)[O-] 225586247 ZALSPNMYFTVUPD-UHFFFAOYSA-N 453.889 3.461 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)c([N+](=O)[O-])c1 408575236 TWZNIMSESIZOIA-UHFFFAOYSA-N 462.846 3.296 5 40 JGBB C[C@@H](OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1cc(Cl)cc(Cl)c1 8684880 JJSZODLNFPUMPS-SNVBAGLBSA-N 480.260 3.458 5 40 JGBB Cn1c(=O)c2c(SCc3ccc(F)cc3)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O 11758243 VQKBIMOIWKCEPZ-UHFFFAOYSA-N 453.455 3.034 5 40 JGBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 17053760 JXNLGEWQBZTDIA-AWEZNQCLSA-N 469.972 3.262 5 40 JGBB CCOC(=O)c1ccsc1NC(=O)[C@H](CC(C)C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 3443584 LGXRWXOUPDJTRH-HNNXBMFYSA-N 459.480 3.482 5 40 JGBB Cc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c(C)n1C[C@@H]1CCCO1 9510160 SXEAEJHZHWRHIN-SFHVURJKSA-N 491.566 3.238 5 40 JGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)nc12 10186944 WCKMUQFXTWFIQC-NSHDSACASA-N 468.538 3.066 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c(C)c1 11533368 YVQUUOWPMIEISH-QGZVFWFLSA-N 489.550 3.183 5 40 JGBB COc1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c(S(=O)(=O)N2CCOCC2)c1 12600136 ILTRENKJOBHAGX-UHFFFAOYSA-N 494.525 3.228 5 40 JGBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 109032786 OVIRTDGWTGSKPD-FPXQBCRKSA-N 456.499 3.277 5 40 JGBB O=C(CSc1nnc(CNC(=O)c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1nccs1 9404961 QYXWXEVOVCZASS-UHFFFAOYSA-N 495.546 3.293 5 40 JGBB O=C1OC(c2ccccc2I)=N/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 9441800 ZBEKUMGXHWNZPC-XGICHPGQSA-N 464.171 3.273 5 40 JGBB Cc1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c([N+](=O)[O-])n1 9630657 GOYJMTJVCZJGLT-UHFFFAOYSA-N 462.528 3.189 5 40 JGBB O=C(CN1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1)Nc1cccc(F)c1 14899290 QWVZHSWKAISQBF-UHFFFAOYSA-N 472.520 3.077 5 40 JGBB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 31711057 QUJRGFPCZFHRAP-LLVKDONJSA-N 476.338 3.301 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N\C(=O)c1cc(C)cc(C)c1 31936747 VGMRBLDSKNHIMH-OLFWJLLRSA-N 488.544 3.139 5 40 JGBB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 58169059 SGDNTSMOTWUCIB-UHFFFAOYSA-N 454.918 3.337 5 40 JGBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(S(=O)(=O)c2ccccc2)CC1 8691885 DLSMZINFOOZQFN-UHFFFAOYSA-N 460.390 3.033 5 40 JGBB C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 9591982 MMDGQDMYQZEJLU-WYRIXSBYSA-N 450.373 3.408 5 40 JGBB Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)c(Br)c1 20154344 KLFYKLSGHBAOJS-UHFFFAOYSA-N 463.332 3.401 5 40 JGBB C[C@H]1CN(C(C)(C)CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C[C@H](C)O1 24601226 WLCKFEZCXBNJBK-IRXDYDNUSA-N 454.593 3.069 5 40 JGBB CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 33773434 PXKRISCVTNZOAA-UHFFFAOYSA-N 498.565 3.113 5 40 JGBB COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OS(=O)(=O)c1cccc2ccccc12 34689109 SKNOBDKTPNIJBK-PKNBQFBNSA-N 495.469 3.484 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408684298 NGLDEOBJGTUUHL-HOTGVXAUSA-N 450.407 3.012 5 40 JGBB O=C(OCn1nnc2ccccc2c1=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2660316 AVJWXGGRVQOBLB-UHFFFAOYSA-N 464.821 3.399 5 40 JGBB O=C(Cc1nc(COC(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cs1)NCc1ccccc1 22526467 RNDWPBNUDHJHES-VOTSOKGWSA-N 481.486 3.396 5 40 JGBB O=C(NC1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccnc1 48342618 PZCDRFFBKKCSSR-UHFFFAOYSA-N 465.432 3.232 5 40 JGBB O=C(COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC(c1ccccc1)c1ccccc1 3403893 WZGBMLUEYJQMMZ-UHFFFAOYSA-N 487.468 3.030 5 40 JGBB CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1 12341890 OHRQYUBNMQUBTK-SFHVURJKSA-N 482.522 3.107 5 40 JGBB CC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2Cl)CC1 22745867 WRDRLNTTYFWKCE-UHFFFAOYSA-N 487.944 3.006 5 40 JGBB COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C(C)C)c2=N)cc1OC 101171309 KJEOKJACIKMVTE-UHFFFAOYSA-N 475.549 3.008 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCC1(c2ccccc2)CCOCC1)S(C)(=O)=O 225473046 VPKFMFPEJOLPBU-UHFFFAOYSA-N 489.594 3.314 5 40 JGBB Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21 2197516 MMBCUTPJVMZYSX-DOGKRZLPSA-N 480.908 3.296 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2C=CC=NN21 9329620 VJSXAFRWPGYHOJ-AFXVXQJMSA-N 466.453 3.345 5 40 JGBB C[C@H]1CN(Cc2nc3c(c(=O)c4ccccc4n3C)c(=O)n2CCc2ccccc2)C[C@H](C)O1 20403601 RPNKQPMXVQJZQD-OALUTQOASA-N 458.562 3.100 5 40 JGBB Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccc2c(c1)OCCOCCOCCOCCO2 64220320 VYWMSQMSDKNZBM-UHFFFAOYSA-N 463.443 3.376 5 40 JGBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225240290 HTPUUAPWMTXSJM-CVEARBPZSA-N 461.490 3.453 5 40 JGBB CCN(CC)CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O 2146843 IIIFDCYKXMYQHI-OZXSUGGESA-N 489.576 3.493 5 40 JGBB biogenic O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCCCOc1ccc(Cl)cc1 8862470 VTPAFKIQELRRIG-UHFFFAOYSA-N 456.904 3.117 5 40 JGBB CC(C)(C)NS(=O)(=O)c1ccc(SCCCn2c(=O)[nH]c3ccccc32)c([N+](=O)[O-])c1 12540266 CGKWPUOOKQDQDP-UHFFFAOYSA-N 464.569 3.497 5 40 JGBB CCCCn1/c(=N\C(=O)c2cccc(OC)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 100820847 QTZBJFHLFLAFJI-NFFVHWSESA-N 474.517 3.376 5 40 JGBB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)o1 107787004 GALHTIDRVWYRPI-LDADJPATSA-N 491.412 3.287 5 40 JGBB COc1cc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 224510980 HJDYPWPGCYORDC-GOSISDBHSA-N 457.527 3.214 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 408689870 ZGDCOIYPPZTIIA-YIFZBPKDSA-N 477.473 3.041 5 40 JGBB O=c1/c(=C/c2cccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)sc2nc3ccccc3n12 408890746 YOXOEGOTIGCMJI-UYRXBGFRSA-N 479.495 3.133 5 40 JGBB CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1[C@H](C)NC(=O)c1ccccc1 409137695 YGVLSBNNFPTEEK-AWEZNQCLSA-N 484.538 3.437 5 40 JGBB Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(F)cc4)c(=N)n(Cc4ccccc4)c3nc12 100944305 QEEBHQBGAQFVHP-UHFFFAOYSA-N 474.517 3.457 5 40 JGBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 102076264 FXGNXPCJFVEAFG-HUCDYXQFSA-N 472.453 3.192 5 40 JGBB O=C(CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1cc([N+](=O)[O-])ccc1Cl 113481902 PBHDENQBQJEJNP-CHWSQXEVSA-N 478.983 3.486 5 40 JGBB O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)NCc1ccccc1 2720086 CESBOUIAKGCASV-UHFFFAOYSA-N 454.533 3.197 5 40 JGBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1cccc([N+](=O)[O-])c1 8832703 HLCSIRITINHZEK-UHFFFAOYSA-N 498.565 3.330 5 40 JGBB O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccnn1Cc1cccc(Cl)c1 12521699 NIGNOMMOCUKGPX-UHFFFAOYSA-N 454.918 3.254 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O 35843293 HILNBSFOFBPYJF-XMODTWTHSA-N 480.908 3.296 5 40 JGBB COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C(=O)NCC(C)C)c1 224448743 WANILRKFKXBKMB-QGZVFWFLSA-N 473.526 3.180 5 40 JGBB COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)cc1 409330571 BODSQVBZZSZSCB-UITAMQMPSA-N 452.423 3.301 5 40 JGBB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409353865 TUHMZIFJFBKJSL-ODLFYWEKSA-N 470.459 3.456 5 40 JGBB NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)cc1 2959622 PBAHAMIPYJGFLA-UHFFFAOYSA-N 491.598 3.134 5 40 JGBB COc1cc(C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c([N+](=O)[O-])cc1OC 9569552 BQQYLSKGSPGFPT-UHFFFAOYSA-N 471.470 3.495 5 40 JGBB CCN1CCN(c2cc(N3CCN(C(=O)c4ccccc4F)[C@H](C)C3)c([N+](=O)[O-])cc2F)CC1 12411961 SCERFEKBRNJHCK-QGZVFWFLSA-N 473.524 3.366 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccccc1 102920406 DPSUJYPLQAUBSV-RMLRFSFXSA-N 488.544 3.382 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)[C@H](C)Oc1ccccc1 103627991 UYPWESQSALDJSN-JXJSSXHOSA-N 474.517 3.302 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC=C(C)C[C@H]3C2=O)c1 408642472 DXQHFMPAFOTZDO-LEWJYISDSA-N 477.473 3.185 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2C1 408754047 SVBMMOUTAUAATC-NVMNQCDNSA-N 473.894 3.031 5 40 JGBB Cc1ccc(-c2nn(-c3cc(N4CCN(CCO)CC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1 19849907 JWJBDYWWBXIQDJ-UHFFFAOYSA-N 485.544 3.384 5 40 JGBB Cc1cccc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c12 913642 FKKMVOAAQGTCPF-LJQANCHMSA-N 457.508 3.115 5 40 JGBB O=C(CNc1cccc([N+](=O)[O-])c1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 9642913 LFAQAGSVZBYXLZ-UHFFFAOYSA-N 452.920 3.473 5 40 JGBB O=C(/C=C\c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 15945347 DOFKZIWJZKIRRD-SVHXPLMZSA-N 474.429 3.466 5 40 JGBB O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccc2c(c1)OCCO2 103602213 QYAVYCDACQDGJW-JTHBVZDNSA-N 470.441 3.149 5 40 JGBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1 223154311 HJWFJJDCOYMEEE-PKTZIBPZSA-N 478.578 3.085 5 40 JGBB CCCSc1nnc(NC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1 224396507 NARRWVFYSVTTPV-ZDUSSCGKSA-N 459.575 3.132 5 40 JGBB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 409167017 GYJMORABTICMHK-UHFFFAOYSA-N 468.539 3.104 5 40 JGBB Cc1nc(-c2cccs2)sc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 8884413 AOOAUWXPKUQCBM-UHFFFAOYSA-N 478.577 3.235 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@H]3[C@@H]2C1=O 9353862 LQOBGSNNHUIBBD-CGXNFDGLSA-N 460.490 3.397 5 40 JGBB O=[N+]([O-])c1ccccc1N1CCN(c2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)CC1 25718750 YPOVTSBMPFNXDB-UHFFFAOYSA-N 480.594 3.247 5 40 JGBB O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1Br 32115250 RJFNQPFXKPNSME-UHFFFAOYSA-N 465.329 3.321 5 40 JGBB C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 59410295 JVEWLFXQCRLVCY-JWGCJKGUSA-N 455.555 3.244 5 40 JGBB biogenic CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1cccc(C)c1 101177007 YKMROHNVACUVBR-OAGTXPOXSA-N 486.528 3.054 5 40 JGBB CCOc1ccccc1NC(=O)COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1 408606235 PHJCMZQBYDKRNF-FMIVXFBMSA-N 452.423 3.383 5 40 JGBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409179408 MVHYGECWMJOVTG-QFIPXVFZSA-N 489.396 3.266 5 40 JGBB Cc1cc2oc(=O)cc(COC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2cc1C(C)C 8633083 DEILRLVAEJKEPV-UHFFFAOYSA-N 464.430 3.472 5 40 JGBB COc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 223088345 XRWRYEMDEZDCNN-MRXNPFEDSA-N 473.526 3.323 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408679956 FPOSFYNDMKDQRP-PKOBYXMFSA-N 465.437 3.315 5 40 JGBB Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)c3sc4cc(Cl)ccc4c3Cl)CC2)n1 2781225 OIDJAJNJKUSOIA-UHFFFAOYSA-N 468.322 3.448 5 40 JGBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 16399783 FTGIBPGMRQASGS-UHFFFAOYSA-N 483.428 3.359 5 40 JGBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223131920 ABEHUAXODYRKRY-HZPDHXFCSA-N 461.490 3.453 5 40 JGBB C[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224844143 OQYIKVBXWHJWMY-SFHVURJKSA-N 474.583 3.052 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)c1 408690151 ZUMVWGZCCKOQJC-SFTDATJTSA-N 477.473 3.185 5 40 JGBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(N2CCOCC2)cc1 409149483 HMLPZUDAYXQOLR-CPNJWEJPSA-N 468.491 3.106 5 40 JGBB Cc1cc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 12180321 WZGREWJVTWDPCU-UHFFFAOYSA-N 479.942 3.210 5 40 JGBB CC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222870671 SGFJEXOINOXXRZ-KSSFIOAISA-N 495.554 3.043 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408651168 NDHFHNKQLQQLMQ-UXHICEINSA-N 492.444 3.084 5 40 JGBB CCOCCCN1CC(=O)N2[C@@H](c3ccc([N+](=O)[O-])cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 9350719 AOSWPMGFVWOZOG-QPPBQGQZSA-N 462.506 3.188 5 40 JGBB biogenic Cn1ccnc1[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 12629663 PJIVOWVHMPNNJB-HXUWFJFHSA-N 455.902 3.338 5 40 JGBB CN(C)CCNS(=O)(=O)c1ccc(N2CCC(c3c[nH]c4ccccc34)CC2)c([N+](=O)[O-])c1 14319597 YAQSZPQBUVUVDW-UHFFFAOYSA-N 471.583 3.300 5 40 JGBB O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 14690990 JZIGOUSATYLIBW-UHFFFAOYSA-N 489.481 3.053 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)c1 408682883 KGBQXMCCZOXTGN-LPTQZCDUSA-N 479.489 3.265 5 40 JGBB COc1ccc(C2=NN(C(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H](c3ccco3)C2)cc1 9703442 LBZGZVLZOXCAJD-HXUWFJFHSA-N 474.429 3.170 5 40 JGBB CCOC(=O)c1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl 30866656 MXBVYXCKHPXFBQ-UHFFFAOYSA-N 469.903 3.138 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 40399307 ALCAKIRXJLGWAC-CYBMUJFWSA-N 484.856 3.148 5 40 JGBB CCS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2sc(S(=O)(=O)CC)cc2[N+](=O)[O-])s1 2239759 AWDXTHGCEUUNNM-UHFFFAOYSA-N 472.569 3.364 5 40 JGBB Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccccc4)c(=N)n(Cc4ccc(F)cc4)c3nc12 2441211 SRSGRGMCBPQBQC-UHFFFAOYSA-N 474.517 3.457 5 40 JGBB COc1ccccc1OCC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 9662063 HNGCFZKSDBTWEO-WQRHYEAKSA-N 491.909 3.488 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 9714751 XTLBOEGWOFERQL-UHFFFAOYSA-N 453.542 3.365 5 40 JGBB Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1[N+](=O)[O-] 9328310 SYYYISVJFAHUOC-ZEMPLXOASA-N 480.908 3.296 5 40 JGBB O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14274416 UPCJYSHFNGSMRL-UHFFFAOYSA-N 495.517 3.404 5 40 JGBB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1noc(C)c1Cn1nc(C)c([N+](=O)[O-])c1C 22572170 BCAYXMXFTCZLMA-UHFFFAOYSA-N 463.498 3.485 5 40 JGBB CC[C@@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222636233 RSERPILFQSZLCT-KRWDZBQOSA-N 489.506 3.230 5 40 JGBB CCCSc1nnc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)s1 225863866 IWBKKVUZRJTDAK-NSHDSACASA-N 459.575 3.050 5 40 JGBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cccc1[N+](=O)[O-] 408555524 XKSQTEYJMNTXPJ-UHFFFAOYSA-N 469.519 3.442 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408678094 COCDVIHNFPAJAD-FUHWJXTLSA-N 464.434 3.402 5 40 JGBB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc1[N+](=O)[O-] 409212047 LOIWSIAWTPHPOV-DEDYPNTBSA-N 498.517 3.115 5 40 JGBB Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 8832705 CLGUHFGQIQGLEX-UHFFFAOYSA-N 497.621 3.496 5 40 JGBB Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)n3c(c2n(C)c1=O)[C@H](c1c[nH]c2ccccc12)OCC3 9348183 FQCMPPRGHHQMNP-QHCPKHFHSA-N 471.473 3.215 5 40 JGBB CCN(CC)CCNC(=O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12 9860229 SJDGYHNLCZOGEE-UHFFFAOYSA-N 470.581 3.373 5 40 JGBB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 19818358 QAEQZBKQQVTABL-WOJBJXKFSA-N 452.467 3.096 5 40 JGBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccccc2)cc1 21025820 FLRJUGMVIWQEFK-UHFFFAOYSA-N 455.492 3.433 5 40 JGBB C[C@@H](Sc1nnc(C(F)(F)F)n1N)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 36640305 VXYJWIPMSGUCRX-SSDOTTSWSA-N 459.435 3.162 5 40 JGBB CC(C)OCCCn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc21 101076281 CGROLBYTUBJDFZ-UHFFFAOYSA-N 486.981 3.430 5 40 JGBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1 408688980 XIEAOLPQANSGBI-LATRNWQMSA-N 479.876 3.295 5 40 JGBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)C2=O)cc1 409247832 OFLPDZDLSUGHKI-GIJQJNRQSA-N 473.463 3.296 5 40 JGBB O=[N+]([O-])c1ccccc1S(=O)(=O)N(c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 2752307 HEYHCPVATTYIAZ-UHFFFAOYSA-N 499.429 3.365 5 40 JGBB Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(F)cc4)c(=N)n(Cc4ccco4)c3nc12 2890428 LSNBRXNBIYYOLX-UHFFFAOYSA-N 464.478 3.050 5 40 JGBB COc1ccc(C(=O)COC(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)cc1OC 3408383 CGOJJXPOHUANHJ-FQEVSTJZSA-N 478.885 3.446 5 40 JGBB O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9635547 POTMMUOMTRAFPV-UHFFFAOYSA-N 490.438 3.339 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12522095 JDHCFKSZTYICRQ-UHFFFAOYSA-N 488.566 3.167 5 40 JGBB Cc1nc2ccccc2c2c(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)c3ccccc3n12 23656330 XZDSZICHRXVSHG-INIZCTEOSA-N 489.557 3.053 5 40 JGBB CCOc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1cccc([N+](=O)[O-])c1 33459278 CNDWAMFXINHABN-SOFGYWHQSA-N 468.378 3.080 5 40 JGBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccncc2)[C@H](c2cccc([N+](=O)[O-])c2)CN1C 36550270 ONSLGYPPXYOJSG-UWUFEASWSA-N 458.474 3.374 5 40 JGBB O=C1C[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1 40399299 AYEURJKZIIKEIY-GFCCVEGCSA-N 454.830 3.140 5 40 JGBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O)N1CCOCC1 409131236 MNGRDTPOGYALNK-DEDYPNTBSA-N 483.502 3.069 5 40 JGBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NCCCN1CCCC1=O 8792160 BDRGZXPVCVZHII-UHFFFAOYSA-N 468.513 3.099 5 40 JGBB biogenic O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3)CC2)cc1 15881682 GSGFCOYACDNHQT-OAQYLSRUSA-N 456.524 3.030 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 48274568 GZJADEJKULBYDW-CTNGQTDRSA-N 475.523 3.188 5 40 JGBB COc1ccccc1[C@@H](C)NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223900070 SXGVHDCXBGOEOD-OAHLLOKOSA-N 465.528 3.036 5 40 JGBB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 9054361 WYSSYOJTWPIBPM-UHFFFAOYSA-N 487.578 3.239 5 40 JGBB COc1ccc(NC(=S)NC(=O)c2ccc(I)cc2)cc1[N+](=O)[O-] 14271002 ALRXELBZNWDWCR-UHFFFAOYSA-N 457.249 3.335 5 40 JGBB O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2nc([C@H]3COc4ccccc4O3)nn12 16734196 BZDBCHPPWBUUAK-YBCYLVPRSA-N 474.454 3.379 5 40 JGBB CS(=O)(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 409028509 OIBPGQXPYFLETD-UHFFFAOYSA-N 457.961 3.064 5 40 JGBB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)cc1[N+](=O)[O-] 12973207 NAYIHLIKGZNZRC-UHFFFAOYSA-N 489.481 3.149 5 40 JGBB CCCCCn1c(CCC(=O)OCc2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2CCCC 30777882 DVJUYJBHBKOCMK-UHFFFAOYSA-N 485.541 3.461 5 40 JGBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)cc1 223197447 LSLFMWDXIYKAEN-DNQXCXABSA-N 492.605 3.475 5 40 JGBB CCCc1nn2c(=O)cc(N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc2s1 5946910 RXMIRXUVLRZAMS-UHFFFAOYSA-N 468.461 3.357 5 40 JGBB CC(C)C[C@@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)N1C(=O)c2ccccc2C1=O 9440120 YYEOEZQGDSAQGH-IBGZPJMESA-N 454.435 3.215 5 40 JGBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ncc(C(F)(F)F)cc1Cl 9443368 QLTZEXRRDSMGOX-UHFFFAOYSA-N 488.806 3.294 5 40 JGBB O=C(NN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O)c1cccc(Br)c1 95470921 PGJQJDMRNQLHQQ-UHFFFAOYSA-N 485.206 3.360 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1nc(CNC(=O)c2ccccc2C)n(C)c1=S 409152519 FMRHAUJRGDCVBC-UHFFFAOYSA-N 454.512 3.045 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCc2ccccc2OC(F)F)CC1 12824750 VTCUSSJVMRHCLR-UHFFFAOYSA-N 483.493 3.222 5 40 JGBB Cc1cc(=O)c(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)nn1-c1ccccc1[N+](=O)[O-] 21892477 RBZHMVHBAUVLJM-UHFFFAOYSA-N 469.885 3.191 5 40 JGBB CCOCCCn1/c(=N/C(=O)c2ccccc2F)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 102920482 JAASEUZSJOPEAS-BYNJWEBRSA-N 492.507 3.133 5 40 JGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2nc(-c3ccccc3)cs2)C1)c1cccc([N+](=O)[O-])c1 13856792 FMODGQOFQQNDEN-MRXNPFEDSA-N 451.460 3.497 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1ccc(OC)cc1 101176930 YYBJSLUUCKLZIJ-OLFWJLLRSA-N 498.495 3.217 5 40 JGBB COc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224478517 SCSRACBKOJJDGJ-KRWDZBQOSA-N 473.526 3.180 5 40 JGBB CCOC(=O)C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1cccc([N+](=O)[O-])c1 8834665 WFJHBUUHGLFODV-KRWDZBQOSA-N 455.379 3.034 5 40 JGBB CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9964013 OYQHLBXILWGGCU-UHFFFAOYSA-N 491.522 3.028 5 40 JGBB Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCCN21 35851550 BHHKDNBRFKGAJY-FVJVTNMWSA-N 480.908 3.296 5 40 JGBB COC(=O)c1ccccc1NC(=O)Cn1cc([N+](=O)[O-])c(-c2cnn(Cc3ccccc3)c2)n1 36620742 GYMADWWKXXYXNE-UHFFFAOYSA-N 460.450 3.128 5 40 JGBB Cc1cc(NC(=O)CSc2nc3ccccc3c3nc(=O)c(-c4ccc(F)cc4)nn23)no1 89606745 WLWNLPNRMGQPEX-UHFFFAOYSA-N 462.466 3.471 5 40 JGBB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225385039 KKYKFKIGRDHKTB-FQEVSTJZSA-N 473.526 3.324 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O 248106622 LUKHITMRTGBWBF-ZBAMRAGRSA-N 480.908 3.296 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 408678878 DPSJHKRHFZPPHD-IWMITWMQSA-N 479.489 3.265 5 40 JGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1 408680273 GAGNDERQMYKAMK-LATRNWQMSA-N 479.876 3.295 5 40 JGBB O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)N1CCc2ccccc21 2720064 KSWJPWIWOYHIPB-UHFFFAOYSA-N 466.544 3.470 5 40 JGBB Cc1c(N2C(=O)[C@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cccc1[N+](=O)[O-] 104045964 OHWMQSUALPPHJK-GSRZOBFVSA-N 480.908 3.296 5 40 JGBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(N)=O 106745316 HYLNFFZMJLLKKU-ZDLGFXPLSA-N 457.464 3.094 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 408656484 SQYOTOCAPQNMAW-IPHXSNPTSA-N 479.489 3.265 5 40 JGBB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 408661730 HHIQPDJGRUWRPQ-UHFFFAOYSA-N 457.439 3.062 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 408690164 ZWDLJMAAUSQKHO-UAOJZALGSA-N 464.434 3.258 5 40 JGBB CC(=O)OCc1cc2nc3cc(COC(C)=O)c(COC(C)=O)cc3nc2cc1COC(C)=O 3843441 CESQYWDUSYIKQU-UHFFFAOYSA-N 468.462 3.035 5 40 JGBB biogenic CCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2C1=O 9562380 PKQQSDNRNIIFGT-UHFFFAOYSA-N 459.842 3.440 5 40 JGBB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 24528758 GUNHTDYJIXNGCI-IRXDYDNUSA-N 490.582 3.013 5 40 JGBB CCCCCn1/c(=N\C(=O)c2ccncc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101123754 NSGYLXZBZRDRTK-SLMZUGIISA-N 459.506 3.152 5 40 JGBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 109032792 OVIRTDGWTGSKPD-IUVQAAGXSA-N 456.499 3.277 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 408686564 RWAUYNWVIPOONT-RTBURBONSA-N 452.423 3.236 5 40 JGBB O=C(COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)NCCN1C(=O)CSC1=O 9545927 NYYOXPDNAUBVLA-UHFFFAOYSA-N 493.881 3.009 5 40 JGBB COc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1OC 20490034 LQMBZDTXLNZVRD-UHFFFAOYSA-N 485.518 3.124 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1ccccc1[N+](=O)[O-] 101249731 NJUYUFAYZPWMDL-QYQHSDTDSA-N 489.488 3.365 5 40 JGBB Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)cc1[N+](=O)[O-] 3594559 TUCWWSNJPUJXEU-LJQANCHMSA-N 461.272 3.071 5 40 JGBB COc1cc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2C)cc(OC)c1OC 13424396 GZWCBZFJCJLBDS-UHFFFAOYSA-N 459.484 3.147 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1ccccc1C 101087572 FZFHCLPQUYMBMT-OLFWJLLRSA-N 488.544 3.220 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)C(C)(C)Oc1ccc(Cl)cc1 101122286 VCCIQHPGDPGMBO-HFTWOUSFSA-N 494.935 3.301 5 40 JGBB Cc1cccnc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409167672 JNVGTYNMGYQCRW-QGZVFWFLSA-N 469.527 3.274 5 40 JGBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)c1 409173781 KAUQOJXKMNJRTN-MOSHPQCFSA-N 482.518 3.415 5 40 JGBB CCOC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@@H](O)c1cccc([N+](=O)[O-])c1 6547810 FTRZMFXBTZTFSI-GOTSBHOMSA-N 482.514 3.110 5 40 JGBB CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc1=O)CCCC2 9747161 WZIMOYKGKUUXKI-UHFFFAOYSA-N 459.572 3.103 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 9907910 KDNLVNBIGUJDGH-UHFFFAOYSA-N 454.483 3.001 5 40 JGBB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 15711979 OOFFQXPSWYZWJT-UHFFFAOYSA-N 476.511 3.004 5 40 JGBB C[C@@H](OC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 17596616 DZBDAEDAWUUVIM-GFCCVEGCSA-N 459.842 3.081 5 40 JGBB CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260830816 IAVSZGKVHXOXNU-QAPCUYQASA-N 477.539 3.096 5 40 JGBB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 409029348 ZRPAMOCSAOTZAT-UHFFFAOYSA-N 457.961 3.064 5 40 JGBB CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409342064 BGSATFQEQAQPJE-UHFFFAOYSA-N 458.475 3.006 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N1CCN(c2cccc(Cl)c2)CC1 9713564 AOCKSIFYOXLJAL-UHFFFAOYSA-N 450.948 3.359 5 40 JGBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(CN2CCOCC2)cc1 16252440 HHHSNAZSIMXDJM-UHFFFAOYSA-N 470.526 3.069 5 40 JGBB O=C(COc1ccccc1[N+](=O)[O-])N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 22535994 DWQPFUZPORDDDN-UHFFFAOYSA-N 454.361 3.249 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)ccc3O)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 108948723 HXARNDZAVTWKHG-FNUHDPNESA-N 493.541 3.029 5 40 JGBB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)s2)cc1 225060471 YCXROILDHHHRNO-UHFFFAOYSA-N 453.889 3.461 5 40 JGBB CC[C@H](C)c1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 9508459 IFIVMQRCGRTXCL-KRWDZBQOSA-N 461.540 3.162 5 40 JGBB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-] 9661740 TXROWGMOSKHDMT-SFHVURJKSA-N 451.838 3.324 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c([N+](=O)[O-])c1 12644359 HPOQNDOJHWAKOU-GOSISDBHSA-N 493.582 3.484 5 40 JGBB C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12765783 UJEHVNGDHCFJRM-INIZCTEOSA-N 493.486 3.221 5 40 JGBB COC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC(C(=O)c3ccc(OC)cc3)CC2)c([N+](=O)[O-])c1 14328302 FGJDJDKWFOFJCU-MRXNPFEDSA-N 491.566 3.016 5 40 JGBB CN1CCN(S(=O)(=O)c2ccc(NCCc3ccc(Br)s3)c([N+](=O)[O-])c2)CC1 35279271 HMORJPQZYZIWNA-UHFFFAOYSA-N 489.417 3.010 5 40 JGBB Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)cc1[N+](=O)[O-] 100744727 PRQOTWQQZHJXIK-QDGJQWLKSA-N 462.458 3.478 5 40 JGBB CC[C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225117750 UBLTWFUWMDHYOQ-INIZCTEOSA-N 492.579 3.483 5 40 JGBB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409355827 LULGKLAFLAIONF-GDNBJRDFSA-N 450.450 3.037 5 40 JGBB COc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 853202 QYRLQGAPNONXNY-UHFFFAOYSA-N 499.545 3.432 5 40 JGBB COCCn1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)nc2ccccc2c1=O 3493481 BZJSNUBYZVKSDP-ZDUSSCGKSA-N 458.496 3.079 5 40 JGBB O=C([C@H]1CCCN(c2nc3ccsc3c(=O)s2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4767852 WQGYWEIANVZBMM-HNNXBMFYSA-N 485.591 3.191 5 40 JGBB CN1CCN(S(=O)(=O)c2ccc(Nc3cc(F)cc(N4CCCC4)c3)c([N+](=O)[O-])c2)CC1 58222695 LPKNGYWAERQPBE-UHFFFAOYSA-N 463.535 3.014 5 40 JGBB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 89267836 TXHAEAQICQMKCB-UHFFFAOYSA-N 463.512 3.429 5 40 JGBB COc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223088280 XRWRYEMDEZDCNN-INIZCTEOSA-N 473.526 3.323 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 223618859 SECXVVOSUSEGOL-UHFFFAOYSA-N 453.889 3.461 5 40 JGBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1C[C@@H](O)c1ccccc1 2122437 MIYPQWVHOVHLCA-XFAFFCHDSA-N 496.523 3.495 5 40 JGBB biogenic CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 14271630 BHSWJCGGKOZPIX-UHFFFAOYSA-N 455.540 3.026 5 40 JGBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1 408737713 OCHMFTOIAIMQPW-CRAIPNDOSA-N 454.464 3.291 5 40 JGBB CCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409172707 GQEDENQDOAFMGT-UHFFFAOYSA-N 455.920 3.287 5 40 JGBB O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)NCCc1ccccc1 2720088 NUNXZFKLMACPRR-UHFFFAOYSA-N 468.560 3.240 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 8777769 ROSLOFBUPZEFCS-UHFFFAOYSA-N 465.572 3.089 5 40 JGBB COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1OC 27033799 NIMVLNJNIADAQB-MRXNPFEDSA-N 457.483 3.120 5 40 JGBB CC(C)(C)c1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)cc1 8869692 OIERQZBXZDFHJA-FQEVSTJZSA-N 460.552 3.487 5 40 JGBB CCOCCCn1/c(=N/C(=O)c2ccc(C)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 11690849 VMLIXWYSVMBNMO-RMLRFSFXSA-N 488.544 3.302 5 40 JGBB CCCCCn1/c(=N/C(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 13029631 AIMNRTWTEZGHPH-XAYXJRQQSA-N 459.506 3.152 5 40 JGBB C[C@@H](c1nc(Cc2ccccc2)no1)N1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 26628319 VVQAPTLYBKLSHU-KRWDZBQOSA-N 465.510 3.314 5 40 JGBB CCCc1nc(N2CCc3ccccc3C2)ncc1C(=O)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 257268477 MLVSNFIDAZFCHM-UHFFFAOYSA-N 481.534 3.019 5 40 JGBB O=C(Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408674165 YPXQOYSSMKTLLW-HNNXBMFYSA-N 471.425 3.354 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 409120670 RRQTYZUJPJHEDW-UHFFFAOYSA-N 486.462 3.346 5 40 JGBB COc1cc(-c2nc(-c3ccc(NC(=O)Cn4cc([N+](=O)[O-])cn4)cc3)no2)cc(OC)c1OC 12418813 UIUIFAJJUIYFFP-UHFFFAOYSA-N 480.437 3.173 5 40 JGBB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3oc4c(Cl)cccc4c3C)CC2)cc1[N+](=O)[O-] 17965145 WYXCBZUGZJPXSB-UHFFFAOYSA-N 493.925 3.458 5 40 JGBB CCn1c(/C(Cl)=C/c2ccc(O)c([N+](=O)[O-])c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 18064697 WUBVGAMAGHUYLO-WJDWOHSUSA-N 492.941 3.428 5 40 JGBB O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1Cl 12924012 OFFDPIHTWGHWEH-UHFFFAOYSA-N 459.933 3.224 5 40 JGBB O=c1c(Cl)c(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(C(F)(F)F)cn1 15111938 PZYQIANSAVQXCF-AWEZNQCLSA-N 455.780 3.353 5 40 JGBB COc1ccc(C(=O)NCC(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1[N+](=O)[O-] 15912872 VVMPCRMCWCAYNW-UHFFFAOYSA-N 475.542 3.370 5 40 JGBB O=C(C[C@@H]1SC(N2N=C(c3ccccc3)SCC2=O)=NC1=O)c1cccc([N+](=O)[O-])c1 16758366 CKXACQALDDZEQA-INIZCTEOSA-N 454.489 3.103 5 40 JGBB COc1cccc(OC)c1C(=O)NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 22574698 DTSVBCXNBOBCDO-UHFFFAOYSA-N 464.931 3.102 5 40 JGBB CCOc1cc(C2C(C(=O)OC)=CN(Cc3ccc(OC)cc3)C=C2C(=O)OC)cc([N+](=O)[O-])c1O 97922815 NOCHFLZITFAXGP-UHFFFAOYSA-N 498.488 3.421 5 40 JGBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cc(C)ccc4nc3n(CCCOC(C)C)c2=N)cc1 101136565 WDDUTUYLIVINJJ-UHFFFAOYSA-N 480.590 3.393 5 40 JGBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3372795 YOXVVAMBSPFTBE-UHFFFAOYSA-N 464.386 3.208 5 40 JGBB O=C(NC(=S)Nc1ccc(Br)cn1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9064797 UYKWWYXOYXNEQZ-UHFFFAOYSA-N 450.318 3.479 5 40 JGBB NC(=O)c1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)sc2c1CCC2 16385701 ONXWDKXNBBLNEN-UHFFFAOYSA-N 469.342 3.133 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1 408658086 USVXMLBDTRFGRD-ZAOYMGCJSA-N 477.473 3.041 5 40 JGBB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 8774985 OVFLWZXOFGDSFE-QGZVFWFLSA-N 489.550 3.183 5 40 JGBB O=C(COC(=O)c1ccc2c(c1)NC(=O)CS2)Nc1ccc([N+](=O)[O-])cc1Br 9882442 OBRHWDTYVOYMDG-UHFFFAOYSA-N 466.269 3.197 5 40 JGBB CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9963801 DHERMMJWZQYTKX-SXGWCWSVSA-N 451.357 3.273 5 40 JGBB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=NN32)cc1 103536870 SPXLHZZSXXYQPW-CJRSTVEYSA-N 496.479 3.365 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2C=CC=NN21 104143129 IEMYXSMWOYTNJU-NCXUSEDFSA-N 485.283 3.499 5 40 JGBB CC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223123451 NGMFREHKDHLYJX-IFXJQAMLSA-N 465.528 3.034 5 40 JGBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 408642466 DXIMYQKIHOMMCR-LRGYGIHKSA-N 479.876 3.295 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)cc1 408656486 SQYOTOCAPQNMAW-LPTQZCDUSA-N 479.489 3.265 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2C)n1C 409057367 LGOLFNPLJZEOPQ-UHFFFAOYSA-N 454.512 3.001 5 40 JGBB Cc1c(Cl)cccc1-n1c(-c2ccc([N+](=O)[O-])cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 9308507 YJIWXDHGNLCVCR-UHFFFAOYSA-N 464.869 3.213 5 40 JGBB CCOC(=O)C1=C(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])NC(=O)N[C@@H]1c1cccs1 9377011 MMEGENMFOORMIY-MRXNPFEDSA-N 465.871 3.338 5 40 JGBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O 18085576 HZOKNNUDXLLVKD-VSKRKVRLSA-N 479.420 3.499 5 40 JGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 20239104 BVSKBNAURHUGGK-UHFFFAOYSA-N 455.448 3.158 5 40 JGBB CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3ccc(C(F)(F)F)cc3)c([N+](=O)[O-])c2)CC1 36329699 DALXANAQFPUVST-UHFFFAOYSA-N 472.489 3.186 5 40 JGBB COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=NN32)cc1 103536883 SPXLHZZSXXYQPW-OLKYXYMISA-N 496.479 3.365 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)C1CCCCC1 103628930 JHXPRFCPLMENKF-NFFVHWSESA-N 474.517 3.475 5 40 JGBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cn3)C2=O)o1 107982069 PLWBQEQPLXHFJF-YBEGLDIGSA-N 464.390 3.255 5 40 JGBB COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 222897588 LUSGDTCGAFLFDK-HNNXBMFYSA-N 461.490 3.453 5 40 JGBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccccc1C 409123178 FJMUIYLWLPPBGN-UHFFFAOYSA-N 454.512 3.175 5 40 JGBB Cc1cc(C)c(S(=O)(=O)N2CCCCC2)cc1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 9489412 DODLZVXVAAGYBJ-UHFFFAOYSA-N 467.569 3.211 5 40 JGBB CCN(CC)C(=O)[C@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccccc1 9646920 PZXZSALUSDPWPW-OAQYLSRUSA-N 461.540 3.368 5 40 JGBB Cn1c(=N)c(C(=O)Nc2nnc(SCc3ccccc3F)s2)cc2c(=O)n3ccccc3nc21 100956245 CAPMGPDQMLCBGJ-UHFFFAOYSA-N 493.549 3.201 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408642775 FEKVAFXTLIFSOX-UAOJZALGSA-N 494.460 3.164 5 40 JGBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9130414 NEESKAMHNMFLEA-MDWZMJQESA-N 498.483 3.170 5 40 JGBB O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 9439236 GWPZRXGHANGFKM-UHFFFAOYSA-N 493.513 3.023 5 40 JGBB Cc1cc(C)c(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)c(C)c1 9487737 BSIRZOYRQMMDEZ-JYVOOEOHSA-N 492.532 3.328 5 40 JGBB Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1[N+](=O)[O-] 107683776 RERALDJWBPURFX-UHFFFAOYSA-N 463.903 3.302 5 40 JGBB Cc1ccc(-n2nc(C)c(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])c2C)cc1 12536343 RERWRLJYAYHYAR-UHFFFAOYSA-N 471.539 3.470 5 40 JGBB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] 19818479 HVYDRMDWDHCNMY-WOJBJXKFSA-N 452.467 3.096 5 40 JGBB COCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C(C)=C[C@H]21 101477971 PRDJUGWKWSACQP-BXXSPATCSA-N 475.501 3.090 5 40 JGBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1cc(F)ccc1C 408606262 PMJOIZFNHJMFCU-VMPITWQZSA-N 470.413 3.440 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408653965 QFIUSZOSTGEDSM-WOJBJXKFSA-N 492.444 3.084 5 40 JGBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCN(c3ccccc3)CC2)cc1 15881683 GSGFCOYACDNHQT-NRFANRHFSA-N 456.524 3.030 5 40 JGBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc2c(c1)OCCO2 22755982 SQLCELSTTSPWCL-UHFFFAOYSA-N 496.467 3.222 5 40 JGBB C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 24398064 JTGVSSIOZUAQMD-CQSZACIVSA-N 454.508 3.495 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)c2ccc(Br)cc2)CC1=O 408646906 JBRKEDAWNDTHBE-CYBMUJFWSA-N 477.267 3.145 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)c1 408667520 UGWMEURVBGGGNV-ROUUACIJSA-N 481.461 3.079 5 40 JGBB O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(N2CCOCC2)cc1 409149609 KYXIXNXJGFMTKQ-CPNJWEJPSA-N 468.491 3.106 5 40 JGBB O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NC[C@H]1CCCO1 9860249 ZOLYERVRGYJTAB-GOSISDBHSA-N 455.522 3.210 5 40 JGBB O=C(CNS(=O)(=O)c1ccccc1)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10000564 SFBDTTURPJQRAA-JOCHJYFZSA-N 454.460 3.041 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12917463 WKTKXXXYHAVTQL-UHFFFAOYSA-N 459.524 3.132 5 40 JGBB O=C1C[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1 40399300 AYEURJKZIIKEIY-LBPRGKRZSA-N 454.830 3.140 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 3364743 LQHIVLSRRRAMGS-HNNXBMFYSA-N 488.456 3.487 5 40 JGBB Cc1c(NC(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)cccc1[N+](=O)[O-] 8634809 IKGSZIVGLBUFEU-LJQANCHMSA-N 461.272 3.071 5 40 JGBB CS(=O)(=O)c1ccc(NCCNC(=O)C2c3ccccc3Oc3ccccc32)c([N+](=O)[O-])c1 9112168 SJVJTKLZUGMWIP-UHFFFAOYSA-N 467.503 3.464 5 40 JGBB C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4Cl)C3=O)[C@H]12 9487331 MYYHYCWOZXBTFS-LERLXCPZSA-N 484.896 3.056 5 40 JGBB COc1ccccc1CN(C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 20460652 XBEWMTCWBIGSEX-UHFFFAOYSA-N 469.519 3.457 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 38772415 XBOIBOHXGXPCDC-GOSISDBHSA-N 461.540 3.217 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)C(C)(C)C)N1N=Cc3ccccc3[C@@H]21 248106426 LQOBGSNNHUIBBD-JSXRDJHFSA-N 460.490 3.397 5 40 JGBB CC1=CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)c3)C(=O)[C@H]2C1 408658496 JMROCPDPHIWHEW-XGRCMKMKSA-N 489.484 3.399 5 40 JGBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1cccc(Cl)c1Cl 408670528 QXRHNBNDYXTFQE-NSHDSACASA-N 452.250 3.436 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408688456 WIIYOVULANAOPQ-PMACEKPBSA-N 492.444 3.084 5 40 JGBB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 8824355 OBWXCDPURBFRFE-ACJLOTCBSA-N 483.930 3.122 5 40 JGBB COc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)NCc2ccco2)cc1OC 9056510 GHNWFYXHWMURQF-UNOMPAQXSA-N 451.435 3.292 5 40 JGBB C[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 9284357 WFKLZAAYCJNKHX-GFCCVEGCSA-N 453.373 3.304 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C1CCN(C(=O)c2ccccc2C)CC1 11245139 PCRFLGICVAJVQK-MRXNPFEDSA-N 469.494 3.334 5 40 JGBB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 89643162 QQNXLCHOLCNNPW-UHFFFAOYSA-N 468.487 3.421 5 40 JGBB CC(C)c1ccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 89893416 IAZKRMIUYFUUDP-KRWDZBQOSA-N 460.556 3.052 5 40 JGBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 103587816 IXBAPRHXVWSYRR-TZIWHRDSSA-N 457.402 3.286 5 40 JGBB O=C(CSCc1cccc([N+](=O)[O-])c1)NCCCNC(=O)CSCc1cccc([N+](=O)[O-])c1 408723735 GOVXYZWOCPZCMR-UHFFFAOYSA-N 492.579 3.292 5 40 JGBB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 409055293 KSBGTIULUUMGGX-UHFFFAOYSA-N 468.539 3.484 5 40 JGBB CCOC(=O)c1c(NC(=O)Cn2cnc3cc(NC)c([N+](=O)[O-])cc3c2=O)sc2c1CC[C@@H](C)C2 32850541 FPJGLPFIFZAORF-GFCCVEGCSA-N 499.549 3.348 5 40 JGBB CCOc1c(Br)cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1Br 35085854 YEVSNLGRILKLAJ-ONEGZZNKSA-N 461.066 3.478 5 40 JGBB CC(C)COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408660470 LQCLSSZOXUHUNP-UHFFFAOYSA-N 471.466 3.308 5 40 JGBB O=C(NC(=S)Nc1ccccc1OC(F)F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12855523 XQAQAUVMPAUQBE-UHFFFAOYSA-N 452.439 3.160 5 40 JGBB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408660652 WQWMZZKCLSSGPO-XIUCYOPRSA-N 491.500 3.263 5 40 JGBB CCc1ccc(-c2nn(CN3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)c(=S)[nH]2)cc1 21322537 GGVYTDPIGZYURC-UHFFFAOYSA-N 488.595 3.042 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)S(C)(=O)=O 224058992 PIZFJSUROMHPAJ-UHFFFAOYSA-N 454.508 3.294 5 40 JGBB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 409181636 FEEATIAKMYWJMZ-UHFFFAOYSA-N 488.408 3.360 5 40 JGBB Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409357809 RJPKIJFRBGGXTQ-UHFFFAOYSA-N 478.893 3.177 5 40 JGBB CCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=S)N(C3CC3)C2=O)[C@@H]1c1ccccc1 9190198 CVEMJILOHWSCIO-CVDCTZTESA-N 450.520 3.111 5 40 JGBB CC1CCC(NS(=O)(=O)c2ccc(N3CCN(c4ccccc4O)CC3)c([N+](=O)[O-])c2)CC1 15208154 GMDIDOIMIKBDSD-UHFFFAOYSA-N 474.583 3.484 5 40 JGBB CCOC(=O)C1CCN([C@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(CC)nn3c2O)CC1 36673278 ZKUBYGIPFSEXMR-QGZVFWFLSA-N 459.528 3.332 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)c1 408641016 CABHZDZWWZYYIL-ZAOYMGCJSA-N 477.473 3.041 5 40 JGBB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC 20005682 TUNHLFLMHIYHOH-OAQYLSRUSA-N 499.545 3.449 5 40 JGBB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223665013 UFAVQECIJRCGFF-NHCUHLMSSA-N 451.508 3.316 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 409369700 WHGURGGXIVNOME-LQDNNDEMSA-N 471.425 3.388 5 40 JGBB CC(C)CCN1C(=O)c2ccc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2C1=O 9128204 WMCVYNAXVRLEKU-UHFFFAOYSA-N 454.435 3.460 5 40 JGBB Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)n3c(c2n(C)c1=O)[C@@H](c1ccccc1O)OCC3(C)C 9348641 FDEXAZDADYKAEB-JOCHJYFZSA-N 476.489 3.174 5 40 JGBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3nc(-c4cccnc4)nc4ccccc34)CC2)c1 14229141 AEHPALGBADDOOB-UHFFFAOYSA-N 476.518 3.111 5 40 JGBB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 224357205 LCNYCGURCAQADA-UHFFFAOYSA-N 467.931 3.232 5 40 JGBB CC(=O)Oc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)cc1 409174288 QWHKKUZAAXIMDU-UHFFFAOYSA-N 488.408 3.360 5 40 JGBB C[C@@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)C(=O)Nc1cccc([N+](=O)[O-])c1 9128724 XZAAAIOERMPTDG-CQSZACIVSA-N 450.451 3.215 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 9507328 ZJKYVDWHWRJLMY-UHFFFAOYSA-N 460.446 3.038 5 40 JGBB O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2)Nc1ccc(F)c([N+](=O)[O-])c1 10255563 ONWHKFRADNTVNN-AWEZNQCLSA-N 462.503 3.079 5 40 JGBB COc1ccc(Cn2c(=N)c(C(=O)NC3CCCCC3)cc3c(=O)n4ccccc4nc32)cc1 100558712 ILHCCLPIQLFLPQ-UHFFFAOYSA-N 457.534 3.248 5 40 JGBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1O 102742088 AAXSHIZYBXAEFI-BHIFYINESA-N 461.430 3.360 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccc(OC)cc1 102913303 IXVGNPDZODJMCY-WEMUOSSPSA-N 474.517 3.465 5 40 JGBB CN(C)CCN(Cc1ccccc1)C(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 199424878 BQFRJYUPWSJYDH-HSZRJFAPSA-N 496.951 3.424 5 40 JGBB O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1 408665088 TWFNNWHBUHJUPG-UHFFFAOYSA-N 450.245 3.258 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 409369702 WHGURGGXIVNOME-NFJKTXFASA-N 471.425 3.388 5 40 JGBB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9441984 VHLFTJMMLSWKHW-UHFFFAOYSA-N 499.896 3.277 5 40 JGBB O=C(NC(=S)Nc1cccc(NC(=O)c2ccco2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14274412 NUCOIFCAEQSJDM-UHFFFAOYSA-N 495.517 3.404 5 40 JGBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=NN32)cc1 103536877 SPXLHZZSXXYQPW-KEZOAJOQSA-N 496.479 3.365 5 40 JGBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCC1=O)c1cccc([N+](=O)[O-])c1 408642798 FFTRJYVOFFAGOL-UHFFFAOYSA-N 450.234 3.291 5 40 JGBB O=C(CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1)Nc1ccc2c(c1)CCC2 9282885 HVSWOLBLLKUOQC-UHFFFAOYSA-N 470.507 3.206 5 40 JGBB Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nn12 16363525 QAOPXTYKXNXJCF-UHFFFAOYSA-N 465.495 3.158 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1 22261844 SKDMXXURLUFXJB-UHFFFAOYSA-N 470.389 3.209 5 40 JGBB COc1ccc(Cl)cc1N1C[C@@H](C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 25054074 UBUBCGQTNAWONS-OLZOCXBDSA-N 461.858 3.180 5 40 JGBB Cc1cccc([C@@H](CC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])NC(N)=O)c1 32796275 RIMHSAVKQFGUJN-MRXNPFEDSA-N 453.421 3.250 5 40 JGBB CC(C)Oc1cccc(N[C@H]2CC[C@@H](C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]2O)c1 257273534 NGZXYTXTGSYLBK-XGRCMKMKSA-N 491.566 3.219 5 40 JGBB CCOc1cc(Br)c([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC 408570066 YKHRVHJUFULXGO-LPLGYCIKSA-N 476.327 3.378 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408676729 BHKNIZOCADEYBP-IQGAEYHTSA-N 464.434 3.092 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 409369703 WHGURGGXIVNOME-YCIYHOANSA-N 471.425 3.388 5 40 JGBB CC(C)(C)c1ccc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]23)cc1 8404056 POLLIXAPEISBHW-VLECTGLKSA-N 475.501 3.135 5 40 JGBB COc1ccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1OC 8626604 WWJZFPXUIRGBDF-UHFFFAOYSA-N 475.445 3.142 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)c([N+](=O)[O-])c1 9047712 VSPUGUWUWGVOCY-UHFFFAOYSA-N 486.344 3.405 5 40 JGBB O=C(CN(CNc1cccc([N+](=O)[O-])c1)S(=O)(=O)C12CCN(CC1)CC2)c1ccc(Cl)cc1 9086669 VBRLXUVWTUJKAT-UHFFFAOYSA-N 492.985 3.371 5 40 JGBB NC(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9508588 VYXCFNBEVQMCPU-UHFFFAOYSA-N 488.909 3.181 5 40 JGBB C[C@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 9586803 FKRCPVBVVKYRKN-URNNUDQISA-N 463.918 3.451 5 40 JGBB CC(=O)Nc1cc(N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c(F)cc1[N+](=O)[O-] 12527540 MZPCEPCPTXAABG-UHFFFAOYSA-N 499.421 3.352 5 40 JGBB O=C(CN1C(=O)SC2(COC(c3ccc([N+](=O)[O-])cc3)OC2)C1=O)Nc1ccc(Cl)cc1 12583157 XVXDWOHBHFWORS-UHFFFAOYSA-N 477.882 3.367 5 40 JGBB COc1cc(OC)cc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)cnc32)c1 2247271 FJRMCOXONITOLM-MRXNPFEDSA-N 457.490 3.480 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 9119689 AOQJJRKXEANSJX-CQSZACIVSA-N 480.477 3.224 5 40 JGBB CC(C)(C)c1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 25084349 NBWSVJHKWQFJLX-JLHYYAGUSA-N 457.552 3.439 5 40 JGBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@@H]3c4ccccc4C=NN23)cc1 248126048 HTTAJJBTILUYAS-LWSSLDFYSA-N 496.479 3.365 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NC[C@@H](c1ccc(F)cc1)N1CCOCC1 23381271 YJHHMVSWBDOIAI-QFIPXVFZSA-N 478.546 3.004 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 28628597 GAOSWLVYMPDPRZ-YCIYHOANSA-N 471.425 3.388 5 40 JGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCOc1ccc(F)cc1 223529288 WCDPHCBMNUVKCE-UHFFFAOYSA-N 473.482 3.124 5 40 JGBB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)c3)C(=O)[C@H]21 408653773 APGAZBYYUGVGMH-SFPRVHAESA-N 475.457 3.092 5 40 JGBB O=C(c1ccco1)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 9313254 ZYKKMTQQEOTIMY-FKVLARQCSA-N 455.426 3.461 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 9397803 WPWQJDZWUXUFHB-JXMROGBWSA-N 476.507 3.248 5 40 JGBB Cn1c(SCCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nnc1-c1cccs1 9764110 UMZTXMSCQOSFAQ-UHFFFAOYSA-N 453.571 3.450 5 40 JGBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)cc1[N+](=O)[O-] 138781620 VBMKTKTZXLUJSF-ZDUSSCGKSA-N 476.283 3.201 5 40 JGBB CC[C@H](C(=O)NCc1ccc(CN2CCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224511602 JCEPIEDVHZNTGR-JOCHJYFZSA-N 474.583 3.052 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 408574567 SATCQYJYPPRXDM-UHFFFAOYSA-N 462.846 3.296 5 40 JGBB CCOC(=O)c1sc(NC(=O)COc2ccc(C)nc2[N+](=O)[O-])c(C(=O)OCC)c1C 9120768 MEISUFYFWFUSPT-UHFFFAOYSA-N 451.457 3.039 5 40 JGBB Cc1c(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cccc1[N+](=O)[O-] 9142273 XDHFLEVTKZFJTL-UHFFFAOYSA-N 467.536 3.182 5 40 JGBB CCN(CC)CCCn1c2c(c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc1=O)CCC2 9746271 HTCXMJNYZNHKLV-UHFFFAOYSA-N 459.572 3.103 5 40 JGBB Cc1cccn2c(=O)c3cc(C(=O)NC4CCCCC4)c(=N)n(CCCOC(C)C)c3nc12 101060335 URIFCCJLPJNHAQ-UHFFFAOYSA-N 451.571 3.315 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(C)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408681668 IDBPMPTVDZAODE-ICSRJNTNSA-N 461.474 3.485 5 40 JGBB CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 409128535 FLCMHYOUVODYTA-AWEZNQCLSA-N 484.538 3.442 5 40 JGBB COc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3cccc(C)c3)n2C)c([N+](=O)[O-])c1 409131130 NHBLKNGZVIOCDY-AWEZNQCLSA-N 484.538 3.262 5 40 JGBB COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 2188427 AYMMYZDHJQLGIS-UHFFFAOYSA-N 491.478 3.056 5 40 JGBB COC(=O)c1cc(C(=O)N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)cc([N+](=O)[O-])c1 11918596 JYEOGRMVWDLKBL-UHFFFAOYSA-N 456.451 3.337 5 40 JGBB CC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 13073259 RZZIIOPQHOFFJB-UHFFFAOYSA-N 457.430 3.327 5 40 JGBB CC1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H](c4nnc5ccccn45)C3)c([N+](=O)[O-])c2)CC1 18175105 FJRCAIVGKVRSQB-GOSISDBHSA-N 484.582 3.442 5 40 JGBB CC[C@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222635922 ZDBBMEMSIPTLNM-GOSISDBHSA-N 459.480 3.221 5 40 JGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Cl)cc1 408679398 DWJDCTNZCFXBBS-IRXDYDNUSA-N 467.865 3.440 5 40 JGBB Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409358627 MMDKNRKBCYAIAG-UHFFFAOYSA-N 460.903 3.289 5 40 JGBB Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 9426746 UQYOIHPTWCWDQG-UHFFFAOYSA-N 492.920 3.219 5 40 JGBB O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCCC2)Nc1ccccc1[N+](=O)[O-] 10186680 FTTUWELUHHCPHC-UHFFFAOYSA-N 451.508 3.204 5 40 JGBB COc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1Cl 10371902 HSPSYTUGDCZQPH-UHFFFAOYSA-N 471.919 3.450 5 40 JGBB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 13129642 YKQJBDHREFRNQM-UHFFFAOYSA-N 460.468 3.032 5 40 JGBB Cc1c(N2C[C@@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2CCCCC3)c(=O)n(-c2ccccc2)n1C 27525045 WCYNREJCMNWPNS-RUZDIDTESA-N 462.530 3.043 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)c3)C(=O)[C@H]2C1 408653131 DVPMQTDFURCZPN-DJDZNOHASA-N 491.500 3.479 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 408662264 XOLNTURFLLIDLZ-GPHNJDIKSA-N 461.474 3.174 5 40 JGBB O=C(COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Nc1ncc(C(F)(F)F)cc1Cl 9441297 HFIDGNXAOYZAJT-UHFFFAOYSA-N 495.197 3.227 5 40 JGBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCCn1ccnc1 16042277 TZWXERXTGQRKCD-RDGATRHJSA-N 484.516 3.048 5 40 JGBB biogenic COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)ccc1O 18120880 AAXSHIZYBXAEFI-VSKRKVRLSA-N 461.430 3.360 5 40 JGBB Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@H]2[C@H]2CCCN21 106535137 BHHKDNBRFKGAJY-RAZUEPIFSA-N 480.908 3.296 5 40 JGBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C[C@@H]3CCCO3)c2=N)cc1C 2890394 CRSLXKSPYHQOKI-SFHVURJKSA-N 478.574 3.066 5 40 JGBB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 3272870 HDQRSBASPQRNBN-HNNXBMFYSA-N 469.523 3.169 5 40 JGBB O=C(N[C@H](Cc1ccccc1)C(=O)O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 9031821 DBMVHOIRWKBMNQ-QEQIRTOISA-N 459.458 3.178 5 40 JGBB COc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl 9064678 NBUQQJMIQHEQPJ-UHFFFAOYSA-N 450.904 3.220 5 40 JGBB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)Nc1ccc([N+](=O)[O-])cc1 9440636 HAMZNROEVKKAMT-UHFFFAOYSA-N 495.513 3.137 5 40 JGBB O=C(O)c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1 13768778 CKVUZFWTUJPATH-PWRODBHTSA-N 459.414 3.344 5 40 JGBB O=C1C(=O)N(OCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]2N1OCc1ccc([N+](=O)[O-])cc1 1762933 MYSNTEKOKCVEEQ-WOJBJXKFSA-N 470.438 3.048 5 40 JGBB CCOC(=O)c1c(N)n(CCOC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2nc3ccccc3nc12 2302921 FZTKJLJPLPYNAM-UHFFFAOYSA-N 494.420 3.017 5 40 JGBB COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 13504891 RYOZZUFKEGXWID-QFIPXVFZSA-N 451.531 3.158 5 40 JGBB CN1CCN(c2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 15934945 PWLVMSUTTSALDT-UHFFFAOYSA-N 459.934 3.089 5 40 JGBB O=C(CCNc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 32893575 FCPPEIWRJNQUJF-UHFFFAOYSA-N 487.365 3.237 5 40 JGBB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 223699643 OOVMOMZWCRZFRC-RTWAWAEBSA-N 451.508 3.316 5 40 JGBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225277414 AEAUSNVWOJOVFO-LJQANCHMSA-N 461.490 3.455 5 40 JGBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cccc1[N+](=O)[O-] 408551388 HPLCQJFJNUOOFV-UHFFFAOYSA-N 455.492 3.399 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 2630454 HAJUXTHUZQLRTK-UHFFFAOYSA-N 485.474 3.200 5 40 JGBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 13108947 CJNHPKNPLPVSBO-JOCHJYFZSA-N 497.573 3.008 5 40 JGBB Cc1ccc(Nc2nc(N)nc(CN3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)n2)cc1 15446770 WHOCLUXBYOKVHT-UHFFFAOYSA-N 454.922 3.390 5 40 JGBB Cc1cc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc(C)c1Cl 35086412 QTEBSBGKNPHUQJ-UHFFFAOYSA-N 488.972 3.429 5 40 JGBB CC(C)CSc1nnc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1 224572665 DZTHDGHVNFBAPE-UHFFFAOYSA-N 473.602 3.379 5 40 JGBB CC[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 224932517 VCBXWVAWSUDHIV-LJQANCHMSA-N 476.555 3.387 5 40 JGBB Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 408646413 OXEHTEBJBMMLHP-UHFFFAOYSA-N 456.476 3.402 5 40 JGBB O=C(COc1ccccc1[N+](=O)[O-])NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 16450521 XRYTTWSQTQNXQB-UHFFFAOYSA-N 484.456 3.342 5 40 JGBB Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@H]43)C2=O)c(C)c1 102782717 LCICRFYDKGVTOL-PMATZYIGSA-N 478.505 3.019 5 40 JGBB COC(=O)c1cn(C(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c2ccccc12 222632805 OYANSQNEMRVRNN-AWEZNQCLSA-N 459.480 3.139 5 40 JGBB COc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1Cl 10370937 GVFADCIUFRXCJW-NSHDSACASA-N 457.892 3.059 5 40 JGBB O=C(OCN1C(=O)c2ccccc2C1=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 12655175 YUKIFQVJPDOEAO-STZFKDTASA-N 471.425 3.163 5 40 JGBB Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc(C(=O)O)c1O 20153226 ZLRYDHZFAASWEG-UHFFFAOYSA-N 458.496 3.424 5 40 JGBB Cc1ccc(C(=O)O)c([N+](=O)[O-])c1Sc1c(C)c(O)c([N+](=O)[O-])c(C(=O)O)c1[N+](=O)[O-] 100930607 CHNNTDQFLCGQGB-UHFFFAOYSA-N 453.341 3.281 5 40 JGBB O=C(CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccc([N+](=O)[O-])cc1Cl 113482213 PCGNGMNNVHLPEM-CHWSQXEVSA-N 478.983 3.486 5 40 JGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCOc1ccc(F)cc1 223526857 ZYBFLCBHOXMQGZ-UHFFFAOYSA-N 473.482 3.124 5 40 JGBB COC1=C[C@H](C(c2c(O)n[nH]c2C)c2c(O)n[nH]c2C)CC=C1OC(=O)c1cccc([N+](=O)[O-])c1 408922962 OOZJRHBVTYKQHU-CYBMUJFWSA-N 481.465 3.492 5 40 JGBB Cn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nnc1-c1cccc([N+](=O)[O-])c1 409146267 SGCHYPDMWIBLEM-UHFFFAOYSA-N 472.552 3.160 5 40 JGBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C 3455472 MUAAHSBWFXMCAF-INIZCTEOSA-N 461.519 3.242 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 9345906 XHXIIRAEARULII-QGZVFWFLSA-N 453.314 3.187 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 9699594 OZQSIZOUGMEVAF-NSHDSACASA-N 457.892 3.059 5 40 JGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 12785163 HFLHEMPLZMLFIQ-CYBMUJFWSA-N 477.447 3.487 5 40 JGBB COc1ccccc1NC(=O)CC1=NC(=O)[C@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])S1 12905469 DNXPBOOEEAKXCH-KRWDZBQOSA-N 456.480 3.310 5 40 JGBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NCC1(N2CCOCC2)CCCCC1 14676093 HVDWKTLUPFCDFU-UHFFFAOYSA-N 471.510 3.163 5 40 JGBB O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 40149202 BFGVMXJHOMIEFV-CYBMUJFWSA-N 459.304 3.410 5 40 JGBB N=c1c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1 101104484 GIZIQJUGFFSSIM-UHFFFAOYSA-N 470.920 3.155 5 40 JGBB Cc1ccc2nc3c(cc(S(=O)(=O)c4ccccc4)c(=N)n3CCCOC(C)C)c(=O)n2c1 101139675 HFMVEFSVFHHULM-UHFFFAOYSA-N 466.563 3.085 5 40 JGBB COc1ccc(CCn2c(=N)c(C(=O)NCc3ccc(F)cc3)cc3c(=O)n4ccccc4nc32)cc1 101173438 AFGJTLWQGWNLQN-UHFFFAOYSA-N 497.530 3.449 5 40 JGBB Cc1ccccc1OCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223528027 ZGNRYWQDCPFHTM-UHFFFAOYSA-N 469.519 3.294 5 40 JGBB O=C(Oc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408670457 SKKGRQNIUXRJPK-NXEUSJOTSA-N 489.484 3.089 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408683134 KMAGPIHJUFOZAV-VOBQZIQPSA-N 466.450 3.482 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)c1 408684791 OBUHBQWUBUQPDM-QKYXUNIQSA-N 479.489 3.265 5 40 JGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)nc12 10186945 WCKMUQFXTWFIQC-LLVKDONJSA-N 468.538 3.066 5 40 JGBB COc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C 409333827 JSASJSWESSFNQQ-VQHVLOKHSA-N 452.423 3.301 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)NC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O 9154271 NVBAFLNHIYBPFR-UHFFFAOYSA-N 496.426 3.316 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(SC)cc1 16711759 SLVMWNQJQJUPCG-UBXANZILSA-N 495.582 3.428 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cn(C)c2c(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]c12 100977114 DZNBYVLGEPTGOJ-UHFFFAOYSA-N 453.842 3.140 5 40 JGBB O=C(CSC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1ccc([N+](=O)[O-])cc1Cl 113482217 PCGNGMNNVHLPEM-STQMWFEESA-N 478.983 3.486 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(C)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408640452 AZYVEYGVCUMBHJ-SFTDATJTSA-N 461.474 3.485 5 40 JGBB CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 409355007 BDGNXBWWYRHUGL-UHFFFAOYSA-N 468.539 3.484 5 40 JGBB COc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)c(C)cc1[N+](=O)[O-] 8691192 DXKIXWQXVRZHCO-DEOSSOPVSA-N 462.462 3.471 5 40 JGBB CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1 9352558 NPWFDJMJJBFBSK-UHFFFAOYSA-N 459.524 3.416 5 40 JGBB CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1 9443469 VADMQJCELJGFLU-UHFFFAOYSA-N 457.483 3.302 5 40 JGBB Cc1cccc([C@H](CC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])NC(N)=O)c1 32796276 RIMHSAVKQFGUJN-INIZCTEOSA-N 453.421 3.250 5 40 JGBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)NCc1ccc(Cl)cc1 32925499 ZXMIFTCGOYPKFC-UHFFFAOYSA-N 458.858 3.306 5 40 JGBB COCCCn1ccc2nc3ccn(-c4nc(SCc5ccccc5)n[nH]4)c(=O)c3cc2c1=O 40398955 RSEUJZXLZWXEHJ-UHFFFAOYSA-N 474.546 3.148 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1ccc(OC)cc1 101158031 IXVGNPDZODJMCY-NFFVHWSESA-N 474.517 3.465 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)c3)C(=O)[C@H]2C1 408653128 DVPMQTDFURCZPN-AERDPVEMSA-N 491.500 3.479 5 40 JGBB CCNc1ccc(C(=O)OCC2=C(C(=O)OCC)[C@H](c3cccs3)NC(=O)N2)cc1[N+](=O)[O-] 9630458 UOZULMNYGISXRW-SFHVURJKSA-N 474.495 3.116 5 40 JGBB O=[N+]([O-])c1cccc(-c2nnc(O)c3c2[C@H](c2cccc(Br)c2)n2nnnc2N3)c1 10296751 HEXHMPMYWBUERX-INIZCTEOSA-N 467.243 3.201 5 40 JGBB Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@H]43)C2=O)c1C 102783060 YCCGVXCMFMUAAV-GMAZWMKUSA-N 478.505 3.019 5 40 JGBB Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1-c1ccccc1 12427690 FPGLEWSUXTYYHM-UHFFFAOYSA-N 493.505 3.188 5 40 JGBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 100884651 BLLWKUZDXPENLR-IRLDBZIGSA-N 456.414 3.106 5 40 JGBB Cn1c(=N)c(C(=O)Nc2nnc(SCc3ccccc3)s2)cc2c(=O)n3ccccc3nc21 100955076 CUCFBCZYBQRATP-UHFFFAOYSA-N 475.559 3.062 5 40 JGBB CCCSc1nnc(NC(=O)[C@H](CC)N(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)s1 223121442 VEVAVKHZXZTEOG-LBPRGKRZSA-N 489.601 3.140 5 40 JGBB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 409161419 UUUDRIQSQGMPBQ-UHFFFAOYSA-N 454.512 3.175 5 40 JGBB Cc1ccc(S(=O)(=O)N(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)c2ccc(C(=O)O)cc2)cc1 3111422 ZEYJCHMZSQGHGF-HXUWFJFHSA-N 486.502 3.237 5 40 JGBB COc1cc([N+](=O)[O-])cc2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c(=O)oc12 9763951 FCMMLZSFFWBNOQ-UHFFFAOYSA-N 487.490 3.137 5 40 JGBB O=C(C[C@@H]1SC(Nc2ccc3c(c2)OCCO3)=NC1=O)Nc1cc([N+](=O)[O-])ccc1Cl 9767292 YQYYWMSERCEZGN-INIZCTEOSA-N 462.871 3.458 5 40 JGBB CC(C)[C@@H](NC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)c1cccs1 9861993 YKNNQAXTSHTMMF-LJQANCHMSA-N 466.585 3.289 5 40 JGBB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c(C)c1 21901403 XQKOLZJTORJLLQ-UHFFFAOYSA-N 463.494 3.085 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 28628590 GAOSWLVYMPDPRZ-NFJKTXFASA-N 471.425 3.388 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)Cc1ccc(OC)cc1 103628000 XZCPPBQBJWQZIQ-COOPMVRXSA-N 474.517 3.085 5 40 JGBB CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222728273 IAVSZGKVHXOXNU-MAUKXSAKSA-N 477.539 3.096 5 40 JGBB O=[N+]([O-])c1cccc(-c2nnc(O)c3c2[C@H](c2ccc(Br)cc2)n2nnnc2N3)c1 10296581 AODXVBIEFJTRMD-INIZCTEOSA-N 467.243 3.201 5 40 JGBB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 14269601 RMYCCEMGQPCMPL-UHFFFAOYSA-N 471.539 3.297 5 40 JGBB O=C(O)CCCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br 17143541 DDJUGCKZCNKCIB-ATVHPVEESA-N 476.283 3.109 5 40 JGBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4Cl)c(=N)n(Cc4cccnc4)c3nc12 101091392 DPZZSRHHXCVWBM-UHFFFAOYSA-N 484.947 3.464 5 40 JGBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCCN21 104015099 UQMNCONZWQQSDX-ZVVFGRKBSA-N 480.908 3.296 5 40 JGBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)Nc1cccc([N+](=O)[O-])c1 138546409 HSYQDSLWUFBWEN-NSHDSACASA-N 452.250 3.436 5 40 JGBB COC(=O)C[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604418691 JSNWTIXCPISDSA-OAHLLOKOSA-N 460.874 3.085 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 9613393 WNKMWRJISTWEFG-UHFFFAOYSA-N 461.949 3.388 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)cc3)C(=O)[C@H]21 408671319 UCSLZKGQUOWUST-LCSKGXRCSA-N 489.484 3.255 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408685393 PHKIIRAYONYATO-PMACEKPBSA-N 492.444 3.084 5 40 JGBB O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22537526 PKEWKNMPNPFPMU-UHFFFAOYSA-N 455.540 3.158 5 40 JGBB O=[N+]([O-])c1cc(F)ccc1N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 30762244 CAOWTEJANPYLQU-UHFFFAOYSA-N 450.311 3.069 5 40 JGBB O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 34888632 UZHSIRWRSZHKEA-UHFFFAOYSA-N 480.546 3.401 5 40 JGBB O=C(O)CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 408613632 ZAQOWQOBWZCEFC-IBGZPJMESA-N 460.418 3.006 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 408690024 ZKDLGEQYPAVJOT-RFVSGWPVSA-N 465.437 3.171 5 40 JGBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc(C(=O)O)cc2)n[nH]1 409170795 XGQCNMAJKGLYIB-SFHVURJKSA-N 498.521 3.269 5 40 JGBB Cc1ccccc1NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 8774987 OVFLWZXOFGDSFE-KRWDZBQOSA-N 489.550 3.183 5 40 JGBB COC[C@H](C)n1c(C)cc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c1C 8852919 PYMQGUKRIRDTSR-INIZCTEOSA-N 479.555 3.267 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1 9493408 HWQMURRBRMRTJP-UHFFFAOYSA-N 469.903 3.318 5 40 JGBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2F)CC1 408923160 AGYHLIZSAQAKKA-UHFFFAOYSA-N 498.536 3.278 5 40 JGBB O=C(O)[C@@H]1[C@@H](C(=O)N2CCN(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)CC2)[C@H]2C=C[C@H]1C2 102330667 AFZJMFHNTWKMCQ-SYWGBEHUSA-N 489.937 3.270 5 40 JGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 224983824 OJXRTJFGCCCEPO-UHFFFAOYSA-N 496.545 3.265 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O 260939206 QUBAFKYJFRDGSF-QGZVFWFLSA-N 463.556 3.376 5 40 JGBB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1CCCO1 9141420 WIXBGRUMGUWUDK-HNNXBMFYSA-N 488.349 3.392 5 40 JGBB C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)cc2[N+](=O)[O-])C1 9561754 WTODYQKABOVWAP-AWEZNQCLSA-N 453.451 3.202 5 40 JGBB CC[C@@H](Sc1nnc(CNC(=O)c2cccc(C)c2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 9583173 IGRMOXWQPLYVAW-GOSISDBHSA-N 468.539 3.471 5 40 JGBB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccs1 25423528 NJYVFTWDNCSYKD-NRFANRHFSA-N 464.547 3.346 5 40 JGBB N=c1c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc2n1C1CCCCC1 101151726 PLPUMMGWSAGWJI-UHFFFAOYSA-N 471.517 3.293 5 40 JGBB CCSc1nnc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)s1 224475884 HSSCLDIEHCRIDX-UHFFFAOYSA-N 479.565 3.392 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408679951 FPOSFYNDMKDQRP-IEBWSBKVSA-N 465.437 3.315 5 40 JGBB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409350858 WBFFJKJGLCZYLT-MFOYZWKCSA-N 464.477 3.346 5 40 JGBB C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)cc2[N+](=O)[O-])C1 9561753 WTODYQKABOVWAP-CQSZACIVSA-N 453.451 3.202 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCCNc1cccc2ccccc12 9727179 ZPMIRSMUCHDXBK-UHFFFAOYSA-N 456.524 3.293 5 40 JGBB CCOC(=O)[C@@H]1CCCN([C@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(CC)nn3c2O)C1 105735688 IBNCVRCFYJWJCK-RHSMWYFYSA-N 459.528 3.332 5 40 JGBB COC(=O)c1ccc(OC(=O)CSc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 16768134 DHKOZXUVXSBXDI-UHFFFAOYSA-N 479.410 3.373 5 40 JGBB O=C(CSc1n[nH]c(-c2cc(Br)ccc2O)n1)Nc1ccc([N+](=O)[O-])cc1O 408544209 AEHFVBNOTNZYOC-UHFFFAOYSA-N 466.273 3.284 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408655917 SFOWFGADDJHHDA-XOKHGSTOSA-N 455.492 3.318 5 40 JGBB O=C(CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 408669530 HLPDDVNDJITISR-MXXWWZHRSA-N 453.454 3.426 5 40 JGBB O=C(CSc1nc2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)NC[C@H]1CCCO1 2968974 VBSGVRORYBYPNU-MRXNPFEDSA-N 464.507 3.240 5 40 JGBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 10647217 QDCCWTPPLZXDFK-UHFFFAOYSA-N 453.373 3.246 5 40 JGBB O=C(CCNC(=O)c1ccccc1Cl)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 12568776 LCBIWJOJKVBXPI-UHFFFAOYSA-N 494.938 3.296 5 40 JGBB CCOC(=O)C1=C(CN2CCN(c3ccc(Cl)cc3)CC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286387 VCEQXBKFVCWFIH-QFIPXVFZSA-N 499.955 3.242 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408684416 NGLDEOBJGTUUHL-HZPDHXFCSA-N 450.407 3.012 5 40 JGBB O=c1/c(=C\c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)sc2nc3ccccc3n12 408753079 HOVUEQKRORNACO-DEDYPNTBSA-N 479.495 3.133 5 40 JGBB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3327616 RRTNMNMJRPRXAA-UHFFFAOYSA-N 492.410 3.075 5 40 JGBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCc3ccc(-n4cccn4)nc3)c([N+](=O)[O-])c2)C1 9316231 KVRCVVVULFDYJH-MRXNPFEDSA-N 456.528 3.208 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccccc1C(F)(F)F 11690896 BQHBRAVJWLTEIG-USHMODERSA-N 470.407 3.123 5 40 JGBB Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)c2cc1Cl 16520115 DFMOXELPMNVBKZ-UHFFFAOYSA-N 477.926 3.170 5 40 JGBB CCOc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] 16692989 DCFDJUNDLXEXJC-UHFFFAOYSA-N 493.929 3.392 5 40 JGBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 32882537 ZZGGTESCABSWIQ-MJGOQNOKSA-N 479.942 3.038 5 40 JGBB CC1=C[C@@H]2[C@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2c2ccccc21 103461764 DRNYDDWCKMAVEX-PCYHMHGQSA-N 487.512 3.232 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 138773124 DTFGILJKEXQMLT-IAGOWNOFSA-N 452.423 3.236 5 40 JGBB O=C(Oc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408672512 VHJSTMVJEQFLSK-IWMITWMQSA-N 477.473 3.233 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409143176 VOSBLCZNVVQCDJ-IMEWXKHHSA-N 493.541 3.024 5 40 JGBB CO[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1 4963901 MPAYVFMSSYJEOW-FTNBBQJZSA-N 460.395 3.035 5 40 JGBB COc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1 9295548 YWMYFOFXYVDLLL-RUDMXATFSA-N 472.841 3.234 5 40 JGBB COc1ccc(NS(=O)(=O)c2cccc(NC(=O)COc3ccccc3[N+](=O)[O-])c2)cc1 9511930 NEFTVBVQRVIHHE-UHFFFAOYSA-N 457.464 3.422 5 40 JGBB N=c1c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(F)cc1 13514374 AUTXIMNTEGFRKN-UHFFFAOYSA-N 453.477 3.246 5 40 JGBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)cc1 223197597 LSLFMWDXIYKAEN-ZEQRLZLVSA-N 492.605 3.475 5 40 JGBB Cc1nn(-c2cc(N3CCN(C(=O)Cc4ccccc4)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 9892477 UUEGDPKPLVESHV-UHFFFAOYSA-N 483.528 3.494 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSCc1cccc(Cl)c1)S(C)(=O)=O 10333744 WVSFNFVLSLPNOF-UHFFFAOYSA-N 471.988 3.372 5 40 JGBB O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 12170529 WLZRJTMGYVJMOY-OAQYLSRUSA-N 489.528 3.496 5 40 JGBB CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nn12 14273969 KBCMJGUYEXBACW-UHFFFAOYSA-N 481.563 3.436 5 40 JGBB COc1ccc(Cn2c(=N)c(S(=O)(=O)c3ccccc3)cc3c(=O)n4cccc(C)c4nc32)cc1 100871221 ZYVSOKADWWYIEW-UHFFFAOYSA-N 486.553 3.327 5 40 JGBB CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 409161732 APNZDZXVZAZXNP-UHFFFAOYSA-N 498.565 3.113 5 40 JGBB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1OCC(=O)O 409359178 NKANGANCKGWGRH-ZDLGFXPLSA-N 486.458 3.376 5 40 JGBB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 9493620 DNMKJQMXVSZPBG-ATWMFIQVSA-N 481.914 3.017 5 40 JGBB CCn1cc(Br)c(CN(C)C(=O)c2noc(C)c2Cn2nc(C)c([N+](=O)[O-])c2C)n1 12413846 PULRTXYYEYSEPA-UHFFFAOYSA-N 480.323 3.004 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(OC)cc2)c([N+](=O)[O-])c1 16764488 RLHNMUHPHHSIOO-AWEZNQCLSA-N 451.501 3.040 5 40 JGBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl 19203607 BLHFSXGYKXYAMG-AWEZNQCLSA-N 450.710 3.312 5 40 JGBB Cc1c(NC(=O)CN2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cccc1[N+](=O)[O-] 20795142 FLSOMDJDIYPUBW-UHFFFAOYSA-N 479.459 3.117 5 40 JGBB CCN(C(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 9493144 XNRRXFMOTUYBAF-MRXNPFEDSA-N 496.925 3.233 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1NNC(=S)NC[C@H]1CCCO1 9631058 UWFCRTSOIADCQG-CQSZACIVSA-N 485.975 3.019 5 40 JGBB CCN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)[C@@H]2C1 36311717 UZDODSAFDFBGJD-WMZHIEFXSA-N 483.912 3.425 5 40 JGBB CC[C@H](C(=O)NCCOc1ccc(C)c(Cl)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 224178155 KYJWPNPNILSVSZ-GOSISDBHSA-N 499.973 3.305 5 40 JGBB O=C(Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 408638790 DNGDFOFLXFPQIV-QGZVFWFLSA-N 485.452 3.350 5 40 JGBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408653006 PKZIXNHVALOLHV-WFUUAIFHSA-N 459.458 3.031 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 408657362 PGTPRURKEBETOX-INIZCTEOSA-N 463.446 3.291 5 40 JGBB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ncccc3[N+](=O)[O-])c(OC)c2)C1=O 8400786 CZASCIXTFULMNR-YBEGLDIGSA-N 459.436 3.390 5 40 JGBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 9442135 AXIMTBDWXQDCQP-UHFFFAOYSA-N 494.485 3.480 5 40 JGBB CC1CCN(c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)cc2[N+](=O)[O-])CC1 9662587 CIVOLDQWWMBPSK-UHFFFAOYSA-N 478.596 3.039 5 40 JGBB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)cc1[N+](=O)[O-] 9671501 MAFWGQRJVAXSQZ-UHFFFAOYSA-N 479.511 3.104 5 40 JGBB O=C1C(=O)N(OCc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]2N1OCc1ccccc1[N+](=O)[O-] 16034800 VNXYPOIEXLPCGF-PMACEKPBSA-N 470.438 3.048 5 40 JGBB COc1ccccc1OCC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 33553321 HNGCFZKSDBTWEO-WOJGMQOQSA-N 491.909 3.488 5 40 JGBB O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)N1CCN(CCOc2ccc(Cl)cc2)CC1 39996863 IPNICNUJMSGGAX-LZCJLJQNSA-N 473.913 3.351 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)c1 408642474 DXQHFMPAFOTZDO-RTWAWAEBSA-N 477.473 3.185 5 40 JGBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1[N+](=O)[O-] 408652703 GWHWZDHPYZQVSV-KRWDZBQOSA-N 483.477 3.003 5 40 JGBB CC(=O)Oc1c(Br)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1[N+](=O)[O-] 408917295 QMSYPFQRDKCRNI-NVNXTCNLSA-N 460.265 3.053 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1cc2c(cc1Br)OCO2 13113378 HWZAXTHKMGBFSA-UHFFFAOYSA-N 485.312 3.450 5 40 JGBB Cc1c(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@H]3C2=O)cccc1[N+](=O)[O-] 16000946 OHWMQSUALPPHJK-LUCIHVKJSA-N 480.908 3.296 5 40 JGBB CN1CCN(S(=O)(=O)c2ccc(NCCNc3cccc4ccccc34)c([N+](=O)[O-])c2)CC1 36442662 GOCXWCRJGOFEIK-UHFFFAOYSA-N 469.567 3.208 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCOc1cccc2ccccc12)S(C)(=O)=O 223562573 IFKLUEAFCWBLIE-KRWDZBQOSA-N 471.535 3.406 5 40 JGBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NCCCN(C)C)cc3c3ccnc2c31 8792383 BOHPUOXJCPBPMX-UHFFFAOYSA-N 488.544 3.056 5 40 JGBB biogenic Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12521691 LJWHNNJIFOSYGH-QGZVFWFLSA-N 473.961 3.130 5 40 JGBB CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])CC1 14271621 XYCYFTMECRDTLS-UHFFFAOYSA-N 455.540 3.026 5 40 JGBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 15602409 WDYNRDWSHYDSLY-QGZVFWFLSA-N 453.451 3.418 5 40 JGBB Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(=N)n3CCc3ccccc3)c(=O)n2c1 16742235 HLFSFLQUGLXARZ-UHFFFAOYSA-N 464.529 3.005 5 40 JGBB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 408669841 PANWMVKRJSJMTE-ZDUSSCGKSA-N 476.283 3.201 5 40 JGBB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9982696 ZNNTZBLYIXOFGW-UHFFFAOYSA-N 467.522 3.070 5 40 JGBB O=[N+]([O-])c1cc2c(c(CN3CCN(S(=O)(=O)c4cccc(Cl)c4Cl)CC3)c1)OCOC2 12896518 QVAHAPCGVFRVCM-UHFFFAOYSA-N 488.349 3.275 5 40 JGBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2ccc(O)c(C(=O)O)c2)CC1 20153274 QWTXSNGKAPLLTQ-UHFFFAOYSA-N 458.496 3.362 5 40 JGBB CCOc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)cc1S(=O)(=O)N1CCCCC1 62569533 QLFRDCDEPCWCOF-UHFFFAOYSA-N 481.502 3.325 5 40 JGBB O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 102710226 NATCCOPVGBHQHE-NJYVYQBISA-N 459.414 3.344 5 40 JGBB O=[N+]([O-])c1ccc(S(=O)(=O)NNC2=Nc3ccc(Cl)cc3[C@H](c3ccccc3)N2)cc1 16478506 GBILZUKMAUEVDF-IBGZPJMESA-N 457.899 3.411 5 40 JGBB CCOc1ccc(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1OCC 36329695 IVXSKBCTDLWJOU-UHFFFAOYSA-N 464.544 3.072 5 40 JGBB CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(Br)cc1 39985198 KSHCKCDLDWWAQN-UHFFFAOYSA-N 456.318 3.315 5 40 JGBB COc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 224071565 PBRZFOJJRIVXOI-KRWDZBQOSA-N 485.537 3.467 5 40 JGBB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225195428 FHOJPKUVWHSTRE-MRXNPFEDSA-N 461.490 3.455 5 40 JGBB CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)cc3)C(=O)[C@H]2C1 408656303 HOEITDWUQNXOBE-SSKFGXFMSA-N 489.484 3.399 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408682200 JDSACQARYKAPIN-UXHICEINSA-N 464.434 3.402 5 40 JGBB Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2C)c1C 409130864 VGDVXJDAHSIRGM-UHFFFAOYSA-N 454.512 3.001 5 40 JGBB Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 409349302 VPBUJGGRUCYRKB-CQSZACIVSA-N 454.512 3.254 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl 1801961 VLTBOSORFMRMQE-JKALPCAWSA-N 483.933 3.360 5 40 JGBB O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccco1 9442024 JHUQVXFJTHMHGG-IBGZPJMESA-N 452.419 3.139 5 40 JGBB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16013025 ZOOAJQPWHWDPQA-UHFFFAOYSA-N 491.342 3.213 5 40 JGBB Cc1cc(Cl)ccc1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 34697348 XTSJIEDNEJMTFD-UHFFFAOYSA-N 474.945 3.121 5 40 JGBB Cc1cc(OCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)ccc1[N+](=O)[O-] 95946896 YLMCBYJPTHBGCL-UHFFFAOYSA-N 480.443 3.084 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(F)cc1 408647520 JJYSTENWAOEWGQ-OALUTQOASA-N 453.426 3.149 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408684886 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3.122 5 40 JGBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)NCCc1ccccc1 13581881 JSJPNQFSLHCGCK-UHFFFAOYSA-N 455.492 3.377 5 40 JGBB CC(C)OC(=O)C[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccccc1[N+](=O)[O-] 32821044 HDSSPDRAWBVCJW-IBGZPJMESA-N 452.467 3.277 5 40 JGBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1[N+](=O)[O-] 408665357 DTDGRQNWIDIWMT-ZDUSSCGKSA-N 465.384 3.457 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 408682594 JRWHKNDLJJVOHT-VOBQZIQPSA-N 464.434 3.258 5 40 JGBB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)C(=O)Nc1cccc([N+](=O)[O-])c1 9128722 XZAAAIOERMPTDG-AWEZNQCLSA-N 450.451 3.215 5 40 JGBB CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1cn(Cc2ccccc2)c2ccccc12 19324645 GPNKQSKNGTWCRG-UHFFFAOYSA-N 461.522 3.390 5 40 JGBB COc1cc2ncn(CCCC(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)c(=O)c2cc1OC 40024650 SEFKWWYVGWKRPX-UHFFFAOYSA-N 474.901 3.414 5 40 JGBB O=C(Oc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408667000 PUGQGIRGJWEJMY-IWMITWMQSA-N 477.473 3.233 5 40 JGBB O=C(NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1cccc([N+](=O)[O-])c1 9064493 OWBCZAAACFZZQE-UHFFFAOYSA-N 460.384 3.127 5 40 JGBB O=c1oc2cc(Oc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])ccc2c2c1CCC2 14359169 GTUKLHDREFUEFZ-UHFFFAOYSA-N 472.475 3.003 5 40 JGBB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 32845684 KHJGLQSWHRXUQC-UHFFFAOYSA-N 474.583 3.343 5 40 JGBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccccc2)cc1OC 59942132 GVQUBJWKWGGITK-UHFFFAOYSA-N 485.518 3.442 5 40 JGBB COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1 409374435 PPSJALQJIWLXSL-OLJONYEBSA-N 454.438 3.258 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3ccco3)[C@@H]2C1=O 9313184 HTCZVYAVWCEEIZ-QMZRJTEUSA-N 485.452 3.469 5 40 JGBB COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1 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O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408687981 VJZGNWNTZAMXBY-WZBLMQSHSA-N 464.434 3.092 5 40 JGBB CCOC(=O)[C@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)OC4(CCCCC4)OC3=O)[C@@H]2C1 9111603 MNBNVJSJKUHPGM-KXBFYZLASA-N 472.494 3.046 5 40 JGBB CCOC(=O)C1=C(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)NC(=O)N[C@@H]1c1ccccc1 12599534 OZCZNCQBVSSJTA-JOCHJYFZSA-N 494.504 3.223 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 408658080 USQDKDVGXZHFTQ-BZRIBIQUSA-N 473.485 3.259 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408662239 XMDCVMRRGLKGOM-XMCHAPAWSA-N 467.453 3.395 5 40 JGBB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc([N+](=O)[O-])o4)c(=O)n32)cc1 409035317 PNZGDDGLPUZCDZ-MUPHDSPYSA-N 497.529 3.087 5 40 JGBB Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 9350260 UFBXMWZFKFEGKW-BKJGLDIHSA-N 480.908 3.296 5 40 JGBB COC(=O)C1=C(C(=O)OC)N(c2ccc(Br)cc2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 32936417 WDXYURNBQGZUQP-MRXNPFEDSA-N 490.266 3.228 5 40 JGBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 408649229 KWQQJCCJOFJGHA-PBFVBANWSA-N 479.876 3.295 5 40 JGBB C[C@H](CNC(=O)CSCc1cccc([N+](=O)[O-])c1)NC(=O)CSCc1cccc([N+](=O)[O-])c1 408723780 LONICOTYJKVGTC-OAHLLOKOSA-N 492.579 3.291 5 40 JGBB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409338387 IZJIHCFGQOBBMI-UHFFFAOYSA-N 454.512 3.427 5 40 JGBB O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(Oc2ccccc2)cc1 941709 DZQCMIOSBYXUNF-UHFFFAOYSA-N 475.413 3.165 5 40 JGBB COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@@H]43)C2=O)cc1 12420782 OYXOJEHXLWFDSD-YKSBVNFPSA-N 464.478 3.178 5 40 JGBB O=C(NN1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O)c1cccc(Br)c1 95470906 QNTWBWDYQRYUFQ-UHFFFAOYSA-N 485.206 3.360 5 40 JGBB CC[C@@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223359742 ZPTOCGZORVRFTF-ZDUSSCGKSA-N 473.602 3.439 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)cc3)C(=O)[C@H]2C1 408653968 FTOIDLNILHRZRT-DJDZNOHASA-N 491.500 3.479 5 40 JGBB CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 409127613 OHTIUAJKLIAWHN-AWEZNQCLSA-N 484.538 3.442 5 40 JGBB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 9883051 TWMQNJSXIQAOEC-KADSFNECSA-N 495.410 3.322 5 40 JGBB CCN1C[C@@H](CN(C)C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)Oc2ccccc21 24652268 CINNTSXVDYKSMS-QGZVFWFLSA-N 454.483 3.029 5 40 JGBB CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1nc2ccccc2c(=O)[nH]1 25500389 OKUOVJOEXFPUTE-UHFFFAOYSA-N 460.288 3.054 5 40 JGBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NCCS(=O)(=O)Cc3ccccc3)c([N+](=O)[O-])c2)C1 32916241 NZJCYPSERPGWDQ-HDICACEKSA-N 495.623 3.288 5 40 JGBB Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 62594948 ABKOTYLATYXRJE-QFIPXVFZSA-N 498.495 3.486 5 40 JGBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)Nc2nc3ccccc3s2)cc1[N+](=O)[O-] 3321475 JVHIQSFKAGOVRU-UHFFFAOYSA-N 470.492 3.280 5 40 JGBB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 40123164 FAEWACLIMVWITB-KRWDZBQOSA-N 498.542 3.369 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 222408098 UNINJUMDLVLZPJ-ZOUQZCHSSA-N 487.512 3.206 5 40 JGBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)cc1 223154559 LQVYVYHSETZPPN-PKTZIBPZSA-N 478.578 3.085 5 40 JGBB CC(=O)Nc1ccc(S(=O)(=O)NCCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 5943910 VWAZLLYLXWPSQL-UHFFFAOYSA-N 460.434 3.353 5 40 JGBB CCOCCCn1/c(=N\C(=O)c2ccccc2F)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101151232 JAASEUZSJOPEAS-FAJYDZGRSA-N 492.507 3.133 5 40 JGBB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222771319 HIYNEPZPAUNBQN-LBPRGKRZSA-N 470.309 3.452 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(C)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408682116 IXDOOGPOWVMJLS-SFTDATJTSA-N 461.474 3.485 5 40 JGBB CC(C)C[C@@]1(C)NC(=O)N(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1=O 13097733 WXRYNDTVRVBWNG-LJQANCHMSA-N 457.453 3.050 5 40 JGBB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccc([N+](=O)[O-])c1 22715790 FOEZBRVAUODMNX-UHFFFAOYSA-N 452.389 3.407 5 40 JGBB CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCNc1ccccc1[N+](=O)[O-] 28028924 UJVVAEXGFZENHP-QFIPXVFZSA-N 470.551 3.279 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(Cl)cc1)N1CCC[C@H]21 36322318 PVYHLQMIDHACIG-XLNTUCKNSA-N 469.881 3.092 5 40 JGBB O=C(COc1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 107748521 LBNMTVVTTPMPER-UHFFFAOYSA-N 495.363 3.466 5 40 JGBB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408655233 RGCWOJICYVRALL-AWEZNQCLSA-N 488.412 3.428 5 40 JGBB Cc1c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(=O)n(-c2ccccc2)n1C 9130827 CWNQTPPBWKYUSO-UHFFFAOYSA-N 493.520 3.178 5 40 JGBB COc1ccccc1CNC(=O)COC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9662930 HOYXPAWWEWGXBS-LBPRGKRZSA-N 455.389 3.282 5 40 JGBB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c12 12760172 LTSZUPLZFKURSX-MRXNPFEDSA-N 455.496 3.137 5 40 JGBB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 13147785 QSVCPZTWCPVDMC-UHFFFAOYSA-N 474.477 3.205 5 40 JGBB COc1ccc([C@H](CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)N2CCOCC2)cc1 14899914 ZERPLWLYCSRNBD-SANMLTNESA-N 471.557 3.353 5 40 JGBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CCCOC(C)C)c2=N)cc1 101074942 CDEOYFNRCGGQLH-UHFFFAOYSA-N 480.590 3.393 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccccc1[N+](=O)[O-] 102919950 NJUYUFAYZPWMDL-HPNDGRJYSA-N 489.488 3.365 5 40 JGBB CC[C@H](C(=O)NCCOc1cccc(C)c1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223957244 FCOODILHJKOREG-LJQANCHMSA-N 463.556 3.260 5 40 JGBB CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408665895 RSYHOMGMQDCUKG-CQSZACIVSA-N 490.310 3.455 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 408669217 NIZJPDAUIBLIJZ-LLVKDONJSA-N 482.276 3.445 5 40 JGBB Cc1cc(C(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)n1Cc1cccs1 2664542 IWVJXQNGDAVQJC-UHFFFAOYSA-N 481.486 3.145 5 40 JGBB CCCCn1/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176520 UTTPDEHSXVHKDC-QYQHSDTDSA-N 489.488 3.275 5 40 JGBB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5CC=CC[C@H]5C4=O)c3)CC2=O)cc1[N+](=O)[O-] 408673524 XFSGSTQKLYKWCC-MAODMQOUSA-N 489.484 3.317 5 40 JGBB CC[C@H](C)N(C(=O)COc1ccc([N+](=O)[O-])cc1-c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 13114349 TUZCTCLDRNQQIT-LPHOPBHVSA-N 476.551 3.463 5 40 JGBB COc1cc([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC 15277466 TYDKDOYVYFEFMJ-NRFANRHFSA-N 493.432 3.432 5 40 JGBB O=C(Oc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408657813 JEOVOJZHKDIXIJ-IWMITWMQSA-N 475.457 3.009 5 40 JGBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)NC2CCCCC2)n1C 409139188 BBDKFVFIEWMQDS-LJQANCHMSA-N 474.587 3.391 5 40 JGBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 409157500 QWSHWMSOLGONLE-MOSHPQCFSA-N 482.518 3.415 5 40 JGBB CCn1cc(NC(=O)Cn2nc(C(F)(F)F)c([N+](=O)[O-])c2C)c(C(=O)NC2CCCCC2)n1 2732389 DCZXPCIGYNLILR-UHFFFAOYSA-N 471.440 3.036 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 9345909 XHXIIRAEARULII-KRWDZBQOSA-N 453.314 3.187 5 40 JGBB COc1cc(CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc(OC)c1OC 12311550 LDQYPDGNMUYULQ-UHFFFAOYSA-N 472.372 3.364 5 40 JGBB O=C(c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 12731797 SZVPSVBMXQUHPQ-UHFFFAOYSA-N 499.376 3.305 5 40 JGBB COc1ccccc1N1CCN(CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn2)CC1 13736680 QWAMQPRHXWOEJC-UHFFFAOYSA-N 461.522 3.467 5 40 JGBB CC(C)Cn1c2c(c(=O)[nH]c1=O)C(C(F)(F)F)(C(F)(F)F)N=C(c1cccc([N+](=O)[O-])c1)N2 15304755 DHEWVWGNJXJKNI-UHFFFAOYSA-N 479.337 3.293 5 40 JGBB CCCn1/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101091025 WMKLZMDXKTZBNB-QYQHSDTDSA-N 489.488 3.194 5 40 JGBB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(I)cc3)CC2=O)cc1[N+](=O)[O-] 408639665 GQZHPHJYSORHQO-GFCCVEGCSA-N 465.247 3.499 5 40 JGBB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 11757758 CPUPQIDJQGZYPD-UHFFFAOYSA-N 474.564 3.125 5 40 JGBB CCOc1cc(Br)c([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC 408566115 MVIRKOYLKXBUNN-YKLIMCMKSA-N 476.327 3.425 5 40 JGBB CCCC[C@H](CC)COC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 9372913 FJRZYXQWIONCRO-INIZCTEOSA-N 474.601 3.467 5 40 JGBB COc1ccccc1-n1c(C)nnc1SCC(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 16050694 JRBFJXYDMIMZNS-UHFFFAOYSA-N 482.478 3.378 5 40 JGBB COc1ccc(/C=C/C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 4089909 OTXBGLLJSCNIIT-RUDMXATFSA-N 460.943 3.493 5 40 JGBB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 9128399 UOPLQNAZXGLYBI-UHFFFAOYSA-N 486.506 3.097 5 40 JGBB COc1ccc(NC(=O)CNc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c([N+](=O)[O-])c1 9882482 RYXDHEFPXLXQEC-UHFFFAOYSA-N 468.919 3.092 5 40 JGBB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 12555158 WIGHNEMVKFWJJU-UHFFFAOYSA-N 460.295 3.175 5 40 JGBB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c(O)c1 13165156 ONSPPKVWJHMSOT-UHFFFAOYSA-N 453.904 3.302 5 40 JGBB COc1cccc(-c2csc(N3CCN(CC(=O)Nc4ccc([N+](=O)[O-])cc4OC)CC3)n2)c1 57688649 LIPZUZNCSWILHG-UHFFFAOYSA-N 483.550 3.496 5 40 JGBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222649249 BSEHSDIHLBBMRQ-LJQANCHMSA-N 461.490 3.453 5 40 JGBB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)cc3)C(=O)[C@@H]21 408655953 DSKOUYJHVOFAMK-IUEYZOOKSA-N 489.484 3.400 5 40 JGBB COC(=O)c1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1ccc([N+](=O)[O-])cc1 408840116 XPWFJPCOSWQNPE-UHFFFAOYSA-N 459.414 3.282 5 40 JGBB COc1cc2c(=O)[nH]c3c(C(=O)OC[C@H]4CCCO4)c4nc5ccccc5nc4n3c2cc1OC 6143816 DZAUXICCXRMHBM-CYBMUJFWSA-N 474.473 3.230 5 40 JGBB CCCS(=O)(=O)c1ncc(Br)c(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)n1 28288843 FBKPPDHVTKZYQP-UHFFFAOYSA-N 454.262 3.048 5 40 JGBB CCCn1/c(=N\C(=O)c2ccccc2F)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101121982 ZXVPRYYNPQUWKW-SLMZUGIISA-N 462.481 3.425 5 40 JGBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(S(=O)(=O)NCc2ccccc2)c1 3523790 YIXDLIYWZYRBLD-UHFFFAOYSA-N 484.486 3.297 5 40 JGBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)C1 9639569 XRKRVSCIDQDFPD-IAGOWNOFSA-N 488.566 3.020 5 40 JGBB CCN(CC(=O)NCc1cccs1)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 9642701 MSAMSHQGZSYADN-UHFFFAOYSA-N 451.448 3.093 5 40 JGBB CCCC[C@@]1(C)NC(=O)N(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1=O 13097730 UFZSHRADFPFOAT-LJQANCHMSA-N 457.453 3.194 5 40 JGBB Cc1ccc2nc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1 22564319 FDTFTEMAGNJVQJ-UHFFFAOYSA-N 457.537 3.476 5 40 JGBB Cc1nnc2sc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nn12 22575492 PUROZKZVAIYLFI-UHFFFAOYSA-N 465.495 3.158 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(C)=O)cc2)c1 408667187 RYKJALKRTZUSQF-UHFFFAOYSA-N 457.439 3.097 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O 408688414 WGSAWSLFYNOHHY-QZTJIDSGSA-N 452.423 3.236 5 40 JGBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc(F)c1C 409145482 QKEGQXOVOYESHP-UHFFFAOYSA-N 472.502 3.315 5 40 JGBB C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O)c1ccc(C[C@@H]2CCCC2=O)cc1 1547208452 BCYDEGYSDPYBLJ-LMQGHGSNSA-N 463.534 3.418 5 40 JGBB biogenic O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3378688 ZVNXLPAJQTUHFJ-UHFFFAOYSA-N 471.491 3.314 5 40 JGBB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)/C=C\c3cccc([N+](=O)[O-])c3)cc2)s1 6574352 QSPIQIJZQCVGRI-WDZFZDKYSA-N 459.509 3.461 5 40 JGBB CCOC(=O)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc([N+](=O)[O-])c1 8892135 QOLIIKQQAPDKNH-HNNXBMFYSA-N 457.848 3.129 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1 17296810 GITZCWSESIQZSR-OVQNLSTOSA-N 481.555 3.433 5 40 JGBB COc1ccc(C)cc1CN1CCN(c2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])CC1 57352496 FFDZNDGGPDSWJK-UHFFFAOYSA-N 476.599 3.311 5 40 JGBB Cc1ccc2nc3c(cc(C(=O)NCCc4ccccc4)c(=N)n3CCCOC(C)C)c(=O)n2c1 101093740 JSNOFNKLSOEROB-UHFFFAOYSA-N 473.577 3.225 5 40 JGBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)c1 408688128 VUFUVFRNZGQDBW-ICSRJNTNSA-N 477.473 3.185 5 40 JGBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 409246353 BLBHGDINEVOXCC-LDADJPATSA-N 462.418 3.395 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(SC)cc1 2681551 SLVMWNQJQJUPCG-CNSVBDKNSA-N 495.582 3.428 5 40 JGBB O=C(c1ccccc1)c1ccc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c([N+](=O)[O-])c1 8705882 KIDNHOWOJQPVGM-UHFFFAOYSA-N 469.501 3.385 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 48274561 GZJADEJKULBYDW-FPOVZHCZSA-N 475.523 3.188 5 40 JGBB CC(C)(C)NS(=O)(=O)c1ccc(Nc2ccn(Cc3cn4ccccc4n3)n2)c([N+](=O)[O-])c1 69512716 KNBBJFRWNQRBNM-UHFFFAOYSA-N 469.527 3.308 5 40 JGBB CC[C@H](C(=O)NCc1ccccc1CN1CCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224796820 YZCVBIWLDJCWNW-JOCHJYFZSA-N 474.583 3.052 5 40 JGBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 409153665 DRZSFLTVEBLLJX-GOSISDBHSA-N 499.509 3.479 5 40 JGBB Cc1cc(=O)c(C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)nn1-c1ccccc1[N+](=O)[O-] 12980602 AZFUBJGOYMXOHP-UHFFFAOYSA-N 489.410 3.179 5 40 JGBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4Cl)c(=N)n(C[C@H]4CCCO4)c3nc12 13770518 LFYFSRQJDXPRTP-QGZVFWFLSA-N 477.952 3.199 5 40 JGBB CC1CCN(c2nnc(SC[C@H](O)COc3cccc([N+](=O)[O-])c3)n2C[C@H]2CCCO2)CC1 32888264 PBOMUAMRZHTUCH-UYAOXDASSA-N 477.587 3.134 5 40 JGBB CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H]3c3nc4ccccc4s3)c([N+](=O)[O-])c2)CC1 34859767 SISWGPNGEKKGDI-LJQANCHMSA-N 487.607 3.482 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1cccs1 101162753 VGZHDCHDPFCRLC-QQUBYAQKSA-N 492.557 3.116 5 40 JGBB O=C(NC[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)c1ccc(Cl)cc1Cl 169683677 KGKISOOXXVBSEF-AYMMHLMVSA-N 488.283 3.145 5 40 JGBB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1 225748636 AFZJMFHNTWKMCQ-LZDSYCOUSA-N 489.937 3.270 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCOc1cccc2ccccc12)S(C)(=O)=O 260924518 IFKLUEAFCWBLIE-QGZVFWFLSA-N 471.535 3.406 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408689550 YNMPZFJQWKMWEQ-CCKFTAQKSA-N 466.450 3.482 5 40 JGBB CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 409356780 HKHKGIRPCSOBCC-UHFFFAOYSA-N 484.538 3.184 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 9907911 ABOFHGJORUWCNU-UHFFFAOYSA-N 474.901 3.346 5 40 JGBB COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1-c1ccc(CO)o1 20142923 NMNCOCDCWALOEH-UHFFFAOYSA-N 453.451 3.445 5 40 JGBB Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 89688820 XDYXUYSDKTXOAR-UHFFFAOYSA-N 475.523 3.263 5 40 JGBB COC(=O)COc1c(I)cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OC 408541648 DYKIJJPIOMVQRW-SNAWJCMRSA-N 474.207 3.227 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408663738 ONUSGSHGIZIBBI-ZYNNUQKQSA-N 475.457 3.010 5 40 JGBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccccc1 409133940 RCSRDHYQYUWHKJ-CQSZACIVSA-N 454.512 3.428 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)Nc1ccccc1)N1N=Cc3ccccc3[C@@H]21 9353095 BMHBAANJEBYHQF-KIHHCIJBSA-N 495.495 3.421 5 40 JGBB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1[N+](=O)[O-] 9355140 OQSXOVFSMXQVIM-UHFFFAOYSA-N 485.566 3.035 5 40 JGBB Cc1csc(Sc2ccc(C(=O)O[C@H](C)C(=O)Nc3ncnc4nc[nH]c34)cc2[N+](=O)[O-])n1 11166409 MLHKWJZVYOXROX-SNVBAGLBSA-N 485.507 3.361 5 40 JGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(I)cc1C(=O)O 16399713 GMVYAAGITPWMKL-QPJJXVBHSA-N 497.270 3.424 5 40 JGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408688462 WIIYOVULANAOPQ-WOJBJXKFSA-N 492.444 3.084 5 40 JGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 14729646 QLCJDJBTAVKXAL-UHFFFAOYSA-N 485.525 3.384 5 40 JGBB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 19162990 DEHCGCWDKBSARZ-UHFFFAOYSA-N 453.904 3.296 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 101074635 UNINJUMDLVLZPJ-UTIOJAHRSA-N 487.512 3.206 5 40 JGBB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222949599 KMRFSBGSUBGIHO-YOEHRIQHSA-N 465.528 3.034 5 40 JGBB CC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260772655 ZQXFVODGTWYNCH-DNVCBOLYSA-N 479.555 3.342 5 40 JGBB CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 408652687 GSJXGOGGCUUZES-KRWDZBQOSA-N 483.477 3.005 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409178194 JSVSMVSURVQDGQ-OXRZLYTFSA-N 469.544 3.076 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 409223323 YXVNQKCHSJTRBT-UHFFFAOYSA-N 455.492 3.399 5 40 JGBB CCOC(=O)c1c(NC(=O)COC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])sc(C)c1C 3449725 KSHODPCLYIYMGT-UHFFFAOYSA-N 466.468 3.263 5 40 JGBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NC[C@@H]4CCCO4)cc3c3ccnc2c31 8792318 UXNCUSKWVJTHFM-INIZCTEOSA-N 487.512 3.283 5 40 JGBB biogenic C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)ccc2Cl)C[C@@H](C)O1 9493820 PSMCFCYEOMFEAO-ZIAGYGMSSA-N 468.915 3.403 5 40 JGBB CCCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1N1CCOCC1 9907849 XTFNJQOLWIZKQI-UHFFFAOYSA-N 498.536 3.087 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]c1=O 16958037 YUANUIYIQYVZJR-UHFFFAOYSA-N 470.441 3.121 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 19597282 RQOBPHVSYIEXPR-UHFFFAOYSA-N 473.482 3.449 5 40 JGBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccccc1I 20611688 TXOLCRJQCCGDFV-UHFFFAOYSA-N 453.236 3.288 5 40 JGBB C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCCCN1CCOCC1 8792333 OFCSTMCCCZFMDP-SFHVURJKSA-N 484.556 3.198 5 40 JGBB biogenic Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c2cc1Cl 16519630 SZLKLJDIGVARQO-UHFFFAOYSA-N 477.926 3.170 5 40 JGBB C[C@@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)NC12CC3CC(CC(C3)C1)C2 40159914 PJGYPGDVSYUZMI-LRYXAPPNSA-N 477.583 3.232 5 40 JGBB CC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225175200 ZQXFVODGTWYNCH-KXBFYZLASA-N 479.555 3.342 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408689584 YRCDZGFPMRZWMH-IQGAEYHTSA-N 464.434 3.092 5 40 JGBB Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC(=S)NC(=O)c2ccco2)c(C)c1 9140005 ACXRMWBJVMJNKK-UHFFFAOYSA-N 489.535 3.237 5 40 JGBB CCn1cc(NC(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)c(C(=O)NCc2ccco2)n1 2809429 WPTFKLVUNBZSTK-UHFFFAOYSA-N 497.899 3.485 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)NCc2cccnc2)ccc1Cl 6238615 ODZNWPRLZQAUOL-UHFFFAOYSA-N 476.898 3.383 5 40 JGBB C[C@@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)OCc1ccccc1 8767291 BWSQAPOORARWIT-ZGPWBKFBSA-N 463.446 3.207 5 40 JGBB Cc1ccc(C(=O)NC(=S)Nc2ccc(I)c(C)n2)cc1[N+](=O)[O-] 8831066 WLSFCKHLOJDRPI-UHFFFAOYSA-N 456.265 3.338 5 40 JGBB Cc1cc(C)c(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)c(C)c1 9487734 BSIRZOYRQMMDEZ-BHAIVDIOSA-N 492.532 3.328 5 40 JGBB NC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCC2 16384213 GJIFSQVPQDZULO-FNORWQNLSA-N 450.929 3.424 5 40 JGBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O 18087696 HZOKNNUDXLLVKD-FSSWDIPSSA-N 479.420 3.499 5 40 JGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1ccc(-n2ccnc2)cc1 22429735 JOYHTHPMCRKIQB-UHFFFAOYSA-N 491.529 3.292 5 40 JGBB COc1cccc([C@H]2[C@H](Oc3cccc([N+](=O)[O-])c3)C(=O)N2CC(C)(C)N2CCOCC2)c1 48232104 HFIDGUTXYWGZKK-VXKWHMMOSA-N 455.511 3.045 5 40 JGBB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 58156516 RUDXZHXEFNHZKE-RTBURBONSA-N 460.556 3.085 5 40 JGBB COc1cc(Br)c([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC 408576552 XRPJIUSLUSJBJR-GKOWETKXSA-N 462.300 3.035 5 40 JGBB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 8831635 KQUNBFSTOOMTAP-UHFFFAOYSA-N 455.540 3.089 5 40 JGBB C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc(N4CCOCC4)cc3)cc2[N+](=O)[O-])C1 9439764 JBDGVDYWKMAVJE-SFHVURJKSA-N 482.537 3.463 5 40 JGBB CCNc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1[N+](=O)[O-] 12526529 KARLJAZMLQJYLN-UHFFFAOYSA-N 472.567 3.052 5 40 JGBB Cc1onc(C(=O)Nc2ncn(Cc3ccc(Cl)cc3Cl)n2)c1Cn1cc([N+](=O)[O-])cn1 22713391 SMUFZAIUTJIFGQ-UHFFFAOYSA-N 477.268 3.335 5 40 JGBB Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCCN21 106535718 MMBCUTPJVMZYSX-SXTNBDNLSA-N 480.908 3.296 5 40 JGBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)cc1 408664086 YRBZOLASTDBOCY-ZXJYCPGTSA-N 491.500 3.429 5 40 JGBB O=C(Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408674166 YPXQOYSSMKTLLW-OAHLLOKOSA-N 471.425 3.354 5 40 JGBB CN1CCN(S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 1661133037 HTLPQONBWYJXOT-INIZCTEOSA-N 458.309 3.174 5 40 JGBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1cccnc1Cl 8881742 RGOVGBGGKBKMDP-INIZCTEOSA-N 469.281 3.233 5 40 JGBB O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc([N+](=O)[O-])cc1Br 12532197 RVXBASIKVHOJAG-UHFFFAOYSA-N 462.256 3.280 5 40 JGBB C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 24398067 JTGVSSIOZUAQMD-AWEZNQCLSA-N 454.508 3.495 5 40 JGBB C[C@@H]1CN(C(C)(C)CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C[C@@H](C)O1 24601219 WLCKFEZCXBNJBK-IAGOWNOFSA-N 454.593 3.069 5 40 JGBB CCOC(=O)c1c(NC(=O)Cn2cnc3cc(NC)c([N+](=O)[O-])cc3c2=O)sc2c1CC[C@H](C)C2 32850540 FPJGLPFIFZAORF-LBPRGKRZSA-N 499.549 3.348 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1ccc2c(c1)OCO2 101087597 TZORDYUIPFHCDC-NFFVHWSESA-N 488.500 3.185 5 40 JGBB Cc1c(N(CCCC(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224860728 SGVFPZUVIPVLGG-UHFFFAOYSA-N 453.948 3.462 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc(Br)c3)CC2)c([N+](=O)[O-])c1 408576943 YZKJXMPRSVBOTC-UHFFFAOYSA-N 462.300 3.496 5 40 JGBB C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)OCc1ccccc1 2290102 BWSQAPOORARWIT-ZHTGWBIJSA-N 463.446 3.207 5 40 JGBB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 12137636 HCQYRNFUMPGYLC-UHFFFAOYSA-N 455.492 3.433 5 40 JGBB C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 13130575 GZDXTXYTIULQIA-JTQLQIEISA-N 463.459 3.231 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 15097592 FQAAKMQBIVGJDB-UHFFFAOYSA-N 460.556 3.156 5 40 JGBB O=[N+]([O-])c1ccccc1NCCNc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 23956798 OOEJYKOSMKMVJE-UHFFFAOYSA-N 454.556 3.444 5 40 JGBB CC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222870731 SGFJEXOINOXXRZ-KBXCAEBGSA-N 495.554 3.043 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccc2ccccc2c1)S(C)(=O)=O 223606179 YVDGSZZOHHZLCC-UHFFFAOYSA-N 457.508 3.018 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408688046 VOMYRXAYHOHIMJ-UAOJZALGSA-N 466.450 3.482 5 40 JGBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 408737720 OCHMFTOIAIMQPW-MAUKXSAKSA-N 454.464 3.291 5 40 JGBB C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCCCN1CCCC1=O 8792356 QXKRKTZLUCYMDB-KRWDZBQOSA-N 482.540 3.488 5 40 JGBB biogenic O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCCNc1ccc([N+](=O)[O-])cc1 9890376 IGSVBMXOHYPDMI-UHFFFAOYSA-N 494.879 3.164 5 40 JGBB Cc1ccc(NS(=O)(=O)c2ccc(NC[C@H](O)COCC(C)C)c([N+](=O)[O-])c2)c(C)c1 40122884 NQADJSPANXAOKG-KRWDZBQOSA-N 451.545 3.458 5 40 JGBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)N1CCOCC1 106693116 ZLVUPWFWGCWMHR-YVLHZVERSA-N 477.882 3.403 5 40 JGBB COc1cc(Br)c([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC 408576554 XRPJIUSLUSJBJR-IEHOFBCGSA-N 462.300 3.035 5 40 JGBB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc([N+](=O)[O-])o4)c(=O)n32)cc1 409035320 PNZGDDGLPUZCDZ-QFTJCQGQSA-N 497.529 3.087 5 40 JGBB CCCCn1c(COc2ccc([N+](=O)[O-])cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9584724 QEJSHFQONDQTNT-UHFFFAOYSA-N 474.539 3.345 5 40 JGBB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12521692 LJWHNNJIFOSYGH-KRWDZBQOSA-N 473.961 3.130 5 40 JGBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)C1 12693711 XRKRVSCIDQDFPD-CALCHBBNSA-N 488.566 3.020 5 40 JGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(F)cc1 408645191 HSSNJJTWPQLHQE-UHFFFAOYSA-N 492.375 3.178 5 40 JGBB CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408667809 RHACEKGRGSYFNH-UHFFFAOYSA-N 471.466 3.452 5 40 JGBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc([N+](=O)[O-])c1O 409166744 GKFXXDNBBPEMFY-YVLHZVERSA-N 473.463 3.383 5 40 JGBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)c1ccccc1 409222951 FNQHRHCIZWXWPK-MOSHPQCFSA-N 453.476 3.351 5 40 JGBB O=C(COc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 8773580 KQTZCTCMBWNDPX-UHFFFAOYSA-N 471.473 3.426 5 40 JGBB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)n2C)cc1 9601360 YTCLJCFTWALAGA-UHFFFAOYSA-N 454.512 3.001 5 40 JGBB O=C(C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)N1CCc2sccc2C1 10885248 HCTBKLBERULQAI-UHFFFAOYSA-N 469.972 3.295 5 40 JGBB O=C(Oc1coc(CSc2nnc(NC(=O)C3CC3)s2)cc1=O)c1ccccc1[N+](=O)[O-] 15391452 ODWXNAKRIHMXNR-UHFFFAOYSA-N 474.476 3.260 5 40 JGBB Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)nn1-c1ccccc1[N+](=O)[O-] 16494194 ZTYLRTLPIGYSMG-UHFFFAOYSA-N 467.913 3.061 5 40 JGBB CC(=O)c1ccc(N2CCN(C(=O)COC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)CC2)c(F)c1 24716328 PQVOKWRMHHZCAF-XVNBXDOJSA-N 489.887 3.495 5 40 JGBB O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 27745883 JMEVZPUABPNRFK-MRXNPFEDSA-N 473.334 3.496 5 40 JGBB C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)[C@@H]2[C@@H](C)O1 102777863 YUIRQXJSEOGENO-BUSGDNOQSA-N 484.896 3.056 5 40 JGBB CCOc1c(Br)cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC 408565405 KJIPXVNCOBNORD-PTMPUTRESA-N 476.327 3.425 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 408687730 UUKYJBWJBYWIKE-XFQXTVEOSA-N 479.489 3.265 5 40 JGBB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1CCCN1CCOCC1 20900099 MJBMPOMPBUWBMX-NRFANRHFSA-N 467.453 3.108 5 40 JGBB COc1cc(CCNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1OC 22023591 DDRFRUVQJVAONK-UHFFFAOYSA-N 474.491 3.151 5 40 JGBB O=C(Oc1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408649726 ABQPIGWBMRVLGO-IPHXSNPTSA-N 475.457 3.009 5 40 JGBB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 408670083 XBJHFBGYKOIXOR-UHFFFAOYSA-N 471.466 3.452 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408685988 QUBXRTXBGZXEBN-DKSSEZFCSA-N 466.450 3.482 5 40 JGBB Cc1ccc(C)c(Cn2nnc3c(=O)[nH]c(C4CCN(C(=O)c5ccc([N+](=O)[O-])cc5)CC4)nc32)c1 1324558 XBVSWIQOVPCIFO-UHFFFAOYSA-N 487.520 3.108 5 40 JGBB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)CC1 8831647 HJJUQOAQROURDK-UHFFFAOYSA-N 469.567 3.479 5 40 JGBB COc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 22278899 PFJNAKZDVLFJQU-UHFFFAOYSA-N 477.539 3.256 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 24643840 AIHPIZVTVQLZDN-UHFFFAOYSA-N 464.496 3.157 5 40 JGBB COc1ccc(OC)c([C@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 225255273 DCXJZNCXBIBRCY-HNNXBMFYSA-N 465.528 3.036 5 40 JGBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225412907 FELCGUHOZFVDSB-IAGOWNOFSA-N 473.526 3.323 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1 2681595 CDNJBYIUDHDSAE-FNGUVFISSA-N 495.582 3.428 5 40 JGBB COc1cc(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c(OC)c1OC 18012629 NVGFJPKKGPKUBA-UHFFFAOYSA-N 487.387 3.230 5 40 JGBB O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22576293 AQEJYJWSAPDMLR-UHFFFAOYSA-N 465.875 3.120 5 40 JGBB CCCCn1cnc2c1c(=O)n(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c(=O)n2CC(C)C 32957976 GQOBVNXLRXTJRK-UHFFFAOYSA-N 476.921 3.016 5 40 JGBB NC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2[C@@H](Nc2ccccn2)n2nnc3ccccc32)CC1 59488698 YKRJWZPMRNGKPT-DEOSSOPVSA-N 472.509 3.095 5 40 JGBB CSc1ccc(C(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)cc1[N+](=O)[O-] 13017473 YVDXJLFGVXTQOM-UHFFFAOYSA-N 481.284 3.044 5 40 JGBB Cc1nc2ccc(I)cc2c(=O)n1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2299469 VRVNHNQVXWVSRW-UHFFFAOYSA-N 452.164 3.115 5 40 JGBB CCN(CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1OC 8398957 OAIOWFBFRTXBER-UHFFFAOYSA-N 476.446 3.060 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 8818886 UMMSOLPPKNWVPA-BFQRBYDTSA-N 475.526 3.372 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 10186921 JXKKCEHQJXVZAN-UHFFFAOYSA-N 459.933 3.358 5 40 JGBB CC[C@H](C(=O)NCc1cccc(CN2CCCC2)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224632711 DUHGCSPGKDWWOM-JOCHJYFZSA-N 488.610 3.360 5 40 JGBB CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 409128537 FLCMHYOUVODYTA-CQSZACIVSA-N 484.538 3.442 5 40 JGBB O=C([C@@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccccc1)N1CCCC1 9478103 BELWUEVIUMCWTF-NRFANRHFSA-N 459.524 3.122 5 40 JGBB COc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1S(=O)(=O)N1CCCC1 32962498 XOVTTWZFUJDQMM-UHFFFAOYSA-N 462.509 3.250 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c(C)cc(Cl)cc43)[C@@H]2C1=O 35851618 HMBXWFXTMTZORJ-FLFXDLLNSA-N 480.908 3.296 5 40 JGBB Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)cc1[N+](=O)[O-] 102084544 UJAUUYBCILNUDQ-WWLNLUSPSA-N 460.442 3.254 5 40 JGBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)cc1 138636398 ZCDSNNSLFCTYMD-RTBURBONSA-N 467.865 3.440 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 138937255 VHNTUNLVVQHSSZ-UHFFFAOYSA-N 464.365 3.496 5 40 JGBB CC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260811081 NGMFREHKDHLYJX-KUHUBIRLSA-N 465.528 3.034 5 40 JGBB Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408655464 RWCZZWLCPMWMIV-HBGVWJBISA-N 461.474 3.483 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)cc1 408687724 UUKYJBWJBYWIKE-CVAIRZPRSA-N 479.489 3.265 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408689216 XYHPDHMYSVOBEN-WZBLMQSHSA-N 464.434 3.092 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CCc2nc3ccccc3[nH]2)n1C 6302299 MTMNYONBDJHBKT-UHFFFAOYSA-N 451.512 3.424 5 40 JGBB Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)c(C)n1-c1nccs1 9169039 ODJQNZRZFQXLFQ-UHFFFAOYSA-N 499.534 3.173 5 40 JGBB Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)s2)s1 9369140 QRRCIOYKCFDSQJ-UHFFFAOYSA-N 471.933 3.243 5 40 JGBB Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)C2=O)cc1 9613544 JHYNSZGKUDKUCG-LJQANCHMSA-N 462.428 3.376 5 40 JGBB CN1CCCN(c2ccc(S(=O)(=O)Nc3ccccc3OC(F)F)cc2[N+](=O)[O-])CC1 15210401 POJCVOYTTJWLQG-UHFFFAOYSA-N 456.471 3.139 5 40 JGBB O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 9500314 VBBLQRXLICGYDN-UHFFFAOYSA-N 455.895 3.104 5 40 JGBB Cc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)nn23)cc1 9578484 KZLGRXGGOIOOQO-UHFFFAOYSA-N 491.533 3.044 5 40 JGBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 9601759 MSLQSLQSUYGNFS-UHFFFAOYSA-N 474.417 3.174 5 40 JGBB O=C(c1cc2c(s1)CCCCCC2)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 26542961 JOCONLGHCRDCAZ-UHFFFAOYSA-N 463.581 3.462 5 40 JGBB Cn1/c(=N\C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc([N+](=O)[O-])ccc21 11726403 QLUOHCXNIKSDFB-QZQOTICOSA-N 460.537 3.064 5 40 JGBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)Nc1cccc([N+](=O)[O-])c1 23635617 ZAGWWVLMGLEZTG-UHFFFAOYSA-N 459.414 3.187 5 40 JGBB CCOC(=O)C1=C(CN2CCN(c3ccc(C)cc3C)CC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286342 SFFJBPMAIACTJV-DEOSSOPVSA-N 493.564 3.205 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccccc1C 101177014 PENWKYSAXSCCOX-PPPCSUNHSA-N 486.528 3.054 5 40 JGBB CC[C@@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225877245 PJGZOGVQHRFYBK-LBPRGKRZSA-N 489.601 3.139 5 40 JGBB O=C(Oc1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408657821 JEOVOJZHKDIXIJ-ONGXBYRLSA-N 475.457 3.009 5 40 JGBB Cc1ccc(-c2nnc(CN(C)C(=O)C3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)o2)cc1 408713830 ABWKMURXOZRQBJ-UHFFFAOYSA-N 499.549 3.013 5 40 JGBB Cc1ccc([C@@H](OC[C@H](O)CN[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 34868033 DJKJEDRVBXWITK-ZJSPYRCASA-N 466.534 3.054 5 40 JGBB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 57315670 SOLUUOBGFXARJS-UHFFFAOYSA-N 481.553 3.376 5 40 JGBB COc1cc(Br)c([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC 408576558 XRPJIUSLUSJBJR-ZXUICREJSA-N 462.300 3.035 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408689551 YNMPZFJQWKMWEQ-MDASCCDHSA-N 466.450 3.482 5 40 JGBB COc1ccc(C(=O)N/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)N2CCCCC2)cc1 666509 XSFFVSSIHRNAJP-CPNJWEJPSA-N 469.494 3.404 5 40 JGBB O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 9312332 TVQXIVJSTFMHRN-WZYRSQIMSA-N 484.443 3.495 5 40 JGBB CNc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] 9581185 RZKIXNLMATWIMB-UHFFFAOYSA-N 468.535 3.487 5 40 JGBB CC1CCC(NS(=O)(=O)c2ccc(N[C@@H](C)C(=O)NC3CCCC3)c([N+](=O)[O-])c2)CC1 48361968 ZXDYXWXHCLNATE-CKDBGZEDSA-N 452.577 3.311 5 40 JGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1ccccc1C(F)(F)F 408664587 QSOLEXHQPTYVCH-GFCCVEGCSA-N 451.357 3.148 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408853990 VDZSWUCVSNKQQR-CNEDASOKSA-N 497.529 3.087 5 40 JGBB O=C(O)CCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Br)c1 2117285 VETHMWLCYRQQAP-BOPFTXTBSA-N 476.283 3.109 5 40 JGBB Cc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c(C)n1C[C@H]1CCCO1 9510161 SXEAEJHZHWRHIN-GOSISDBHSA-N 491.566 3.238 5 40 JGBB CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1 9545458 ZXVRGRAFCGWQKC-UHFFFAOYSA-N 473.482 3.002 5 40 JGBB CCN(C(=O)COC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 9545915 QRDJTLCFRKWFGO-KRWDZBQOSA-N 492.575 3.247 5 40 JGBB O=C(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)c1ccc2c(c1)OCCO2 10486140 MLHQKFZMVNNRFX-UHFFFAOYSA-N 476.489 3.226 5 40 JGBB CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)c2c(nc(SCC)[nH]c2=O)N[C@]1(O)c1ccccc1 44973735 VSTFDSMQQMKSKR-VUMVONDWSA-N 496.545 3.372 5 40 JGBB COc1ccc(CCn2c(=N)c(C(=O)NCc3ccco3)cc3c(=O)n4cccc(C)c4nc32)cc1 100557096 YTTIYTNAKBUMHS-UHFFFAOYSA-N 483.528 3.211 5 40 JGBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408650705 MTCYMNYRWZUPTI-SNHGZMDHSA-N 479.876 3.295 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408680353 GDOGNHZSTDYFAW-XMCHAPAWSA-N 467.453 3.395 5 40 JGBB Cc1nc(N2CCC(Cc3ccccc3)CC2)ncc1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 585265169 AKPREPVGJUGBMI-UHFFFAOYSA-N 495.561 3.271 5 40 JGBB CN(C)CCCNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 6142579 MHHSVMIBZSGQAP-XMHGGMMESA-N 475.343 3.196 5 40 JGBB COc1ccccc1N(CC(=O)N1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 9317076 OVDDLFBOOZNNNM-UHFFFAOYSA-N 453.904 3.075 5 40 JGBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1NNC(=S)NC[C@@H]1CCCO1 9631057 UWFCRTSOIADCQG-AWEZNQCLSA-N 485.975 3.019 5 40 JGBB CC(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)Oc2ccccc21 23293443 AYHLUFDPOBBEKD-QFIPXVFZSA-N 481.486 3.180 5 40 JGBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NCCS(=O)(=O)c3ccccc3)c([N+](=O)[O-])c2)C1 40139255 HFHXCIAORSGSCF-IAGOWNOFSA-N 481.596 3.147 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(F)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 408642140 DOOFUXPQVKVHGO-XWRIVVANSA-N 465.437 3.171 5 40 JGBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1C[C@H](O)c1ccccc1 2122438 MIYPQWVHOVHLCA-DPZBCOQUSA-N 496.523 3.495 5 40 JGBB biogenic Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)cc1[N+](=O)[O-] 3593424 IDZSIFBGTDTGBM-LJQANCHMSA-N 461.272 3.071 5 40 JGBB Cc1cccc(COC(=O)[C@@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C(C)C)c1 15351406 CHXIMMFGXYTPRK-QFIPXVFZSA-N 491.566 3.104 5 40 JGBB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)c1 89969046 GLUFVYOWYNGHJK-UHFFFAOYSA-N 469.903 3.074 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)c3)C(=O)[C@@H]2C1 408653136 DVPMQTDFURCZPN-ZPGKAZOCSA-N 491.500 3.479 5 40 JGBB O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3389996 YBMRXQJDSLUZQC-UHFFFAOYSA-N 459.402 3.307 5 40 JGBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 9509863 RJOWBNGJKXUSLI-UHFFFAOYSA-N 473.482 3.268 5 40 JGBB CN(C)CCNS(=O)(=O)c1ccc(N2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 15172521 SSESPKRWLREHSB-UHFFFAOYSA-N 489.623 3.428 5 40 JGBB O=C(CCNC(=O)c1ccsc1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 23293449 BFYPFAOXVHAJGQ-UHFFFAOYSA-N 459.505 3.248 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1ccccc1C 101177012 PENWKYSAXSCCOX-KJMYOLMGSA-N 486.528 3.054 5 40 JGBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=S)NC(=O)CC)cc2)cc1[N+](=O)[O-] 22711727 SNIWTIMPZGABHV-UHFFFAOYSA-N 475.552 3.343 5 40 JGBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)cc1 223154615 LQVYVYHSETZPPN-XZOQPEGZSA-N 478.578 3.085 5 40 JGBB Cc1c(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)cccc1[N+](=O)[O-] 223722238 TUXLHNFLPHBPBQ-UHFFFAOYSA-N 463.556 3.162 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408679779 FHCNELWFIKTAFZ-UHFFFAOYSA-N 464.365 3.496 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408683808 MFVDWMXHIVDKHO-JSNMRZPZSA-N 494.460 3.164 5 40 JGBB CC[C@H](Sc1nnc(CCNC(=O)c2ccccc2F)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 9095874 KKWAFADUUWXOHW-SFHVURJKSA-N 486.529 3.344 5 40 JGBB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)Cc1ccccc1[N+](=O)[O-] 9490993 MZSPMHQMIPMPOW-UHFFFAOYSA-N 456.373 3.363 5 40 JGBB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)cc1[N+](=O)[O-] 12764585 WBSMQBLCFJTBTC-UHFFFAOYSA-N 489.481 3.149 5 40 JGBB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nn12 57316941 VIUSRHOPQYYDNI-UHFFFAOYSA-N 479.522 3.412 5 40 JGBB COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccccc3)c2=N)cc1 101246238 ONOBGCRJJDUCCC-UHFFFAOYSA-N 493.567 3.466 5 40 JGBB O=c1/c(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2nc([C@@H]3COc4ccccc4O3)nn12 2833666 WLRSEVLGCSEBAZ-ATASCALFSA-N 474.454 3.379 5 40 JGBB O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 12170516 NGJGUUHKFMYFIY-HXUWFJFHSA-N 489.528 3.496 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 15123544 BRYHNZKQNJUDLF-UHFFFAOYSA-N 462.528 3.137 5 40 JGBB COCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1c3ccccc3C(C)=C[C@H]21 103457738 RXMKFCDYQNGMFF-KAOXLYBCSA-N 475.501 3.090 5 40 JGBB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223508835 LNZYTSMGPYFEIA-KRWDZBQOSA-N 473.526 3.324 5 40 JGBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])c(Br)cc1OC 408567813 RLCGTBHCZLKFAM-YKLIMCMKSA-N 476.327 3.425 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408689586 YRCDZGFPMRZWMH-SLUIBLPYSA-N 464.434 3.092 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OCC 408738905 PUSHFNCGJFFTAV-PZHBDVNGSA-N 493.541 3.105 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 9980069 TWVXCPXFVRBGFR-VWLOTQADSA-N 474.473 3.232 5 40 JGBB O=[N+]([O-])c1ccc(-c2nnc(O)c3c2[C@H](c2ccc(Br)cc2)n2nnnc2N3)cc1 10296268 BZQFVFFUJRHNPS-INIZCTEOSA-N 467.243 3.201 5 40 JGBB C[C@H](c1nc(Cc2ccccc2)no1)N1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 26628313 VVQAPTLYBKLSHU-QGZVFWFLSA-N 465.510 3.314 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)CCOc1ccccc1 31937004 CLLDDVIUAYCMDE-GNVQSUKOSA-N 488.544 3.378 5 40 JGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(C(F)(F)F)c1 408665926 RUWQVHGFZOPJIS-GFCCVEGCSA-N 451.357 3.148 5 40 JGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc3ccccc23)CC1=O 408669101 MRVVRLCMLMKRAV-INIZCTEOSA-N 463.446 3.291 5 40 JGBB CCOCCCn1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3cc(C)ccc3nc21 2433004 BNSHWEKHNGIVJJ-UHFFFAOYSA-N 466.563 3.005 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(I)cc1 9387880 IZBMETZNNVGHNT-UHFFFAOYSA-N 456.192 3.004 5 40 JGBB O=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)Nc1ccc(F)cc1[N+](=O)[O-] 9613222 JAGFYJPUWPTWQK-UHFFFAOYSA-N 491.428 3.469 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 225852281 PNUFEBUAEPIULJ-UHFFFAOYSA-N 469.888 3.161 5 40 JGBB O=C(Oc1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408657819 JEOVOJZHKDIXIJ-LPTQZCDUSA-N 475.457 3.009 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 408669218 NIZJPDAUIBLIJZ-NSHDSACASA-N 482.276 3.445 5 40 JGBB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O 409220711 DTTYYFKROYGGTJ-REZTVBANSA-N 461.427 3.426 5 40 JGBB CC(C)C[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O 9883254 JOZKWNYBXWRNDB-GOSISDBHSA-N 473.869 3.441 5 40 JGBB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccc([N+](=O)[O-])cc1Cl 13572339 PCGNGMNNVHLPEM-QWHCGFSZSA-N 478.983 3.486 5 40 JGBB COc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1S(=O)(=O)N1CCCC[C@@H]1C 9336055 WKRAQRMPCCHRQZ-HNNXBMFYSA-N 459.524 3.369 5 40 JGBB O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13038243 MGDBLSHRDNSNGA-UHFFFAOYSA-N 491.913 3.338 5 40 JGBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCN(Cc2ccc(Cl)s2)CC1 18111431 HWAATAOAVDGSBX-UHFFFAOYSA-N 464.931 3.342 5 40 JGBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)CC1 20154306 QVRJNBLJLLESIR-UHFFFAOYSA-N 468.514 3.401 5 40 JGBB O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1 32124649 FDLAFMHRPFDDMA-YVLHZVERSA-N 477.495 3.493 5 40 JGBB CN1CCN(Cc2ccc(CNc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])cc2)CC1 32932651 NJJWFHBKTOPDNY-UHFFFAOYSA-N 487.626 3.129 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 62667505 NSULUPIKSWDBJP-QGZVFWFLSA-N 498.561 3.090 5 40 JGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCc1ccc(F)cc1 223525558 DPCJQFBLVXKYSW-UHFFFAOYSA-N 457.483 3.288 5 40 JGBB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)n1 257262084 LJZMBTUJAHLQRU-INIZCTEOSA-N 469.933 3.374 5 40 JGBB CCCCN(C(=O)CCCNc1ccccc1[N+](=O)[O-])c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 8724839 KAAQFNOUAJZXKU-UHFFFAOYSA-N 494.552 3.101 5 40 JGBB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2C)cc1 13632973 QOOZLVGQSVXWEN-ZDUSSCGKSA-N 452.920 3.106 5 40 JGBB CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nc2ccccc2[nH]1 24922445 YXWORGFNUWOICW-HXUWFJFHSA-N 459.528 3.301 5 40 JGBB CC(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]4CC(C)(C)C[C@](C)(C4)[C@@H]32)C1=O 102792117 GFADKLHYFUKLIF-PXAYELCQSA-N 454.527 3.398 5 40 JGBB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(-c3cccc([N+](=O)[O-])c3)o1)[C@H]1C(=O)c3ccccc3C1=N2 105512820 HXELXXMDQDOSIH-WOJBJXKFSA-N 482.452 3.331 5 40 JGBB CC[C@@H](C(=O)NCCOc1cccc(C)c1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223957193 FCOODILHJKOREG-IBGZPJMESA-N 463.556 3.260 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccco1 248126023 HTCZVYAVWCEEIZ-KEIZBESESA-N 485.452 3.469 5 40 JGBB CCOCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 1884332 HKVIUPIQSODDBZ-ZJSXRUAMSA-N 462.506 3.188 5 40 JGBB biogenic COc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1 6282811 VRXBVYLCYCUFLB-UHFFFAOYSA-N 469.475 3.429 5 40 JGBB CN1CCN(S(=O)(=O)c2ccc(NCc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)CC1 12561717 BGVCNRJLOBPKIG-UHFFFAOYSA-N 458.462 3.162 5 40 JGBB COc1ccc(Cl)cc1N(CC(=O)NC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 13616167 PZELULRSHPSKHP-UHFFFAOYSA-N 455.920 3.285 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 17296808 GITZCWSESIQZSR-BUPOXGDASA-N 481.555 3.433 5 40 JGBB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 408669631 XOFXEIMTPIZJDM-UHFFFAOYSA-N 471.466 3.371 5 40 JGBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 409126469 OIBVTCSLGVPRNE-UHFFFAOYSA-N 499.509 3.084 5 40 JGBB N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1Cl 13811427 QWUIHEYGYZVFAH-UHFFFAOYSA-N 459.893 3.353 5 40 JGBB COc1ccc(CCNC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 17154382 XLEGTNFXFNOBEG-UHFFFAOYSA-N 456.476 3.344 5 40 JGBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 48300077 ZBSHNVIANNTGSR-UHFFFAOYSA-N 452.920 3.485 5 40 JGBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 102076270 FXGNXPCJFVEAFG-XPRTXTSQSA-N 472.453 3.192 5 40 JGBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 408653973 QGTFEVPONQAXOR-OOCLQOMXSA-N 489.484 3.039 5 40 JGBB COC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC 8722218 GHLAYQCYHYKFGF-VCHYOVAHSA-N 458.448 3.392 5 40 JGBB CCn1c(COC(=O)c2ccccc2[N+](=O)[O-])nc2cc(S(=O)(=O)N3CCCCC3)ccc21 10974271 SLPXNJKDULQQBV-UHFFFAOYSA-N 472.523 3.496 5 40 JGBB COc1ccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 19856054 UVKYJCIKKUJCEB-UHFFFAOYSA-N 479.555 3.038 5 40 JGBB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(N)=O 106727742 SQKMWLDCWAAWIU-ZDLGFXPLSA-N 457.464 3.094 5 40 JGBB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 139063989 XHOXUCHJNBBNGC-ZDUSSCGKSA-N 476.283 3.201 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccco3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 248126027 HTCZVYAVWCEEIZ-SZOBAZRNSA-N 485.452 3.469 5 40 JGBB O=C(O)CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 408613633 ZAQOWQOBWZCEFC-LJQANCHMSA-N 460.418 3.006 5 40 JGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408685654 PRBWFLDAVHHDBA-OALUTQOASA-N 450.407 3.012 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc12)N1CCOCC1 23107770 NYTGLTCJNQXYIK-QHCPKHFHSA-N 462.506 3.185 5 40 JGBB COc1ccc(Cn2c(=N)c(C(=O)NCCc3ccccc3)cc3c(=O)n4ccccc4nc32)cc1 101065229 RGWRIAJVVBPXLB-UHFFFAOYSA-N 479.540 3.158 5 40 JGBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCC1=O)c1ccc([N+](=O)[O-])cc1 408649131 KKJCGPVGJLICMB-UHFFFAOYSA-N 450.234 3.291 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409361597 DFZOQGXSLLRXEN-SRKIZSPNSA-N 463.515 3.015 5 40 JGBB COC(=O)c1c(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)nc2ccccc2c1C 9353447 FFOKDKVDBDLXMA-UHFFFAOYSA-N 465.462 3.432 5 40 JGBB COC[C@H](C)n1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nc2ccccc2c1=O 9508029 PJEXGOWLCLCIJK-ZDUSSCGKSA-N 458.496 3.252 5 40 JGBB COc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2=O)c(OC)c1 23080716 LTNAKUPCMCBWTO-QWHCGFSZSA-N 491.884 3.189 5 40 JGBB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 25022933 KAKWJAYPMJLLNK-UHFFFAOYSA-N 497.939 3.307 5 40 JGBB CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)CC1 25719785 YXKJRDCYOVJLGE-KRWDZBQOSA-N 466.567 3.487 5 40 JGBB CN(c1ccc(OC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 32727652 VZKLZBOYBUXEPZ-UHFFFAOYSA-N 479.474 3.220 5 40 JGBB C[C@@H](NC(=O)Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O)c1cc2ccccc2o1 32831862 WJJDCKCJFIXZLN-CQSZACIVSA-N 458.434 3.114 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)o1 214294433 FNPAWMKULXVRTK-WOJGMQOQSA-N 457.464 3.058 5 40 JGBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408663245 YHSFLXDTZPJYKL-VUEDXXQZSA-N 479.876 3.295 5 40 JGBB C[C@H](NC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1)c1ccc2c(c1)CCCC2 9118540 GZFJXXDZAYKAGC-INIZCTEOSA-N 486.594 3.215 5 40 JGBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 9127934 HCSQBFWKCCEWGM-SFHVURJKSA-N 482.898 3.011 5 40 JGBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(I)cc1 20611704 HUIUTZHHWIOFMA-UHFFFAOYSA-N 453.236 3.288 5 40 JGBB CC(C)Oc1ccccc1N[C@H]1CC[C@@H](C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O 257344358 ZWWPEEJATLLEQG-PBEJRMEISA-N 491.566 3.219 5 40 JGBB CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 33634756 VWXPCMMUDWUNRI-UHFFFAOYSA-N 486.529 3.357 5 40 JGBB COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C(=O)NCC(C)C)c1 224448689 WANILRKFKXBKMB-KRWDZBQOSA-N 473.526 3.180 5 40 JGBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408656713 IVYVRVMBGQTCNO-ZYNNUQKQSA-N 477.473 3.234 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408676731 BHKNIZOCADEYBP-SLUIBLPYSA-N 464.434 3.092 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409177317 DJRCZNSOOLTPBJ-PZDOZLBDSA-N 493.541 3.024 5 40 JGBB O=C(NC(=S)Nc1ccc(Br)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9064703 VFSMQPPMOXFIMB-UHFFFAOYSA-N 465.329 3.321 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2C=CC=NN21 103538941 VJSXAFRWPGYHOJ-GPJHCHHRSA-N 466.453 3.345 5 40 JGBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1 223154367 HJWFJJDCOYMEEE-XZOQPEGZSA-N 478.578 3.085 5 40 JGBB CCOc1cc(Br)c([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC 408566117 MVIRKOYLKXBUNN-ZFNNKGNGSA-N 476.327 3.425 5 40 JGBB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 408713714 PNRAZGOWWHSCDN-AWEZNQCLSA-N 451.476 3.090 5 40 JGBB CN(c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 9491672 LJSQWOWEZJTDAP-UHFFFAOYSA-N 497.529 3.476 5 40 JGBB Cc1cc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1Br 12824177 QTVMSBWTXWBAJS-UHFFFAOYSA-N 478.299 3.298 5 40 JGBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 12880164 HSKOPSVWFIUKAF-UHFFFAOYSA-N 463.943 3.274 5 40 JGBB O=C1N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 34651296 BDZZOBYCZZXJNK-PMUMKWKESA-N 475.326 3.300 5 40 JGBB O=[N+]([O-])c1ccc(N2CCC(=Cc3cccc(F)c3)CC2)c(S(=O)(=O)N2CCOCC2)c1 48287604 KUFWNMQWIQGZHM-UHFFFAOYSA-N 461.515 3.439 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 111477429 LAGLISCEBUHUMU-SARUNTBLSA-N 481.530 3.423 5 40 JGBB COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 224169724 RHSZGPLUXCNAGV-GOSISDBHSA-N 457.527 3.480 5 40 JGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1C 408644586 HASDFIONEYRPNJ-DHNNRRLOSA-N 475.501 3.483 5 40 JGBB COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(OC)c1 409028633 QWMGYWSGLZAFKR-UHFFFAOYSA-N 471.491 3.446 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409178189 JSVSMVSURVQDGQ-GTENMVSRSA-N 469.544 3.076 5 40 JGBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(c2cc(-c3ccc4c(c3)OCO4)[nH]n2)CC1 1399743 PXANWMRVKWJLOT-UHFFFAOYSA-N 456.480 3.282 5 40 JGBB O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1Cc1ccc(F)cc1 8974256 WHZDZLZOGSMDAZ-HYBUGGRVSA-N 466.469 3.304 5 40 JGBB O=C(Oc1ccc(Br)cc1C(=S)N1CCOCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13590269 KWDGCDXUEMCCOQ-UHFFFAOYSA-N 496.295 3.492 5 40 JGBB O=C(N[C@@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 26841626 VQDVFLSYKFJCOM-QUJCMNEKSA-N 485.755 3.302 5 40 JGBB biogenic O=C(COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1ccc([N+](=O)[O-])cc1 89861193 ACJHMFNQNBHAKG-UHFFFAOYSA-N 480.498 3.382 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408653963 QFIUSZOSTGEDSM-VQTJNVASSA-N 492.444 3.084 5 40 JGBB Cc1nnc(Sc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2[N+](=O)[O-])o1 9376438 JIFHGEAVOWVQHV-UHFFFAOYSA-N 489.535 3.474 5 40 JGBB C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OCc3cccc([N+](=O)[O-])c3)ccc2Cl)C[C@@H](C)O1 9546025 LQKKNDJLZJYNSY-ZIAGYGMSSA-N 468.915 3.403 5 40 JGBB COc1ccc2nc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1 22709423 VNXXGYANLFWAJB-UHFFFAOYSA-N 473.536 3.177 5 40 JGBB O=C(O)c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1 9281311 CKVUZFWTUJPATH-NJDAHSKKSA-N 459.414 3.344 5 40 JGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCCN1CCCCCC1 13647377 KQZYRNKVSGXEGR-UHFFFAOYSA-N 474.583 3.172 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC(C)C 16682451 AYRZKHMEHMOYMW-QFTJCQGQSA-N 497.529 3.087 5 40 JGBB O=C(N[C@@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 20114028 AWLFUXYCWBIUCE-CFZJUORYSA-N 485.755 3.302 5 40 JGBB biogenic COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)c2)cc1[N+](=O)[O-] 408673138 PVUSVYZNRLUJRS-JPEVHGAISA-N 478.457 3.345 5 40 JGBB Cc1nn2c(SCC(=O)NCc3cccc(C(F)(F)F)c3)nc3ccccc3c2nc1=O 58047136 HYBKDIOTTBHCTM-UHFFFAOYSA-N 459.453 3.373 5 40 JGBB COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)cc1[N+](=O)[O-] 89326635 FXRKJLDIOVMWNE-UHFFFAOYSA-N 462.528 3.096 5 40 JGBB COC(=O)c1cn(C(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc12 222637957 ALYQCOWXQQPYCH-UHFFFAOYSA-N 459.480 3.223 5 40 JGBB O=C1N/C(=C/c2cc([N+](=O)[O-])cc(I)c2O)C(=O)N1Cc1ccccc1F 409067437 QUDGEVYIDZNEJN-MKMNVTDBSA-N 483.193 3.137 5 40 JGBB O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 9587504 VEIKAAPBDWFKMH-UHFFFAOYSA-N 494.520 3.010 5 40 JGBB COc1ccc(C(=O)N2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 9720436 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CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccc(OC)c(OC)c1 103001096 QKDYHJTUYNKMRU-WEMUOSSPSA-N 490.516 3.165 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 408644978 JHNUBRBLUOCOLZ-CYBMUJFWSA-N 461.858 3.100 5 40 JGBB O=C(NN1C(=O)c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C1=O)c1ccc([N+](=O)[O-])cc1 3659925 FUPSEZIVONNUFW-UHFFFAOYSA-N 485.206 3.360 5 40 JGBB COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1ccc([N+](=O)[O-])cc1 18091194 RXMKFCDYQNGMFF-CWBXHPNXSA-N 475.501 3.090 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1cccnc1 100823314 ACUMSZHPHWTXCK-BYNJWEBRSA-N 471.517 3.467 5 40 JGBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223132101 ABEHUAXODYRKRY-HOTGVXAUSA-N 461.490 3.453 5 40 JGBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1[N+](=O)[O-] 408664544 CGTOBAHAFXHNTG-CYBMUJFWSA-N 465.384 3.457 5 40 JGBB Cc1ccc(Nc2nc(COC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cs2)cc1 2664158 APVBFFPMALOIPB-UHFFFAOYSA-N 452.448 3.443 5 40 JGBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2)c1ccc(Cl)c([N+](=O)[O-])c1 3009177 JNJXXUCWUWOSAX-UHFFFAOYSA-N 477.842 3.023 5 40 JGBB Cc1nn(-c2ccccc2)c(C)c1Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 35292590 ZCNVYYDCHOQINB-UHFFFAOYSA-N 470.555 3.077 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@H](C(=O)c3ccc(Cl)cc3)[C@@H]2C1=O 36322315 PVYHLQMIDHACIG-OBZTUIKSSA-N 469.881 3.092 5 40 JGBB CN(Cc1ccccc1)C(=O)N1CCN(c2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])CC1 40135300 GTNIZSIZAVHADY-UHFFFAOYSA-N 489.598 3.046 5 40 JGBB CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nn12 57316344 JGESGRCQJSKTDR-UHFFFAOYSA-N 483.535 3.459 5 40 JGBB CCOC(=O)C1=C(CN2CCN(c3cc(C)ccc3C)CC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 67286344 XWCRLVOGLPQJIW-XMMPIXPASA-N 493.564 3.205 5 40 JGBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 103602675 BLLWKUZDXPENLR-IFMALSPDSA-N 456.414 3.106 5 40 JGBB CCCCOC[C@H](O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(C)cc1 3111427 QAMUVHVKNWEXLL-GOSISDBHSA-N 452.529 3.285 5 40 JGBB CCCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nc2cc(S(N)(=O)=O)ccc21 9335342 FCXPJJRMIOLKKL-UHFFFAOYSA-N 493.567 3.131 5 40 JGBB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 9591979 MMDGQDMYQZEJLU-WLRWDXFRSA-N 450.373 3.408 5 40 JGBB O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCc1ccc(COCC(F)(F)F)cc1)OCCCO2 32895831 IPKNPQPHHFIMHH-UHFFFAOYSA-N 476.429 3.314 5 40 JGBB CC(=O)Nc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 409116171 UHZJLYLTGFLQHB-UHFFFAOYSA-N 468.491 3.387 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1Cl 2282628 QJYVCACTPRKAJX-JKALPCAWSA-N 483.933 3.360 5 40 JGBB O=C(CSc1nc2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)NC[C@@H]1CCCO1 2968976 VBSGVRORYBYPNU-INIZCTEOSA-N 464.507 3.240 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 40399297 BYPKDZAFNADZGU-CQSZACIVSA-N 468.857 3.448 5 40 JGBB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 89813107 RMBLDMCJAMVEIN-UHFFFAOYSA-N 498.469 3.207 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)CC(C)C 103629416 VQQSTWSLPVXHBM-COOPMVRXSA-N 458.518 3.348 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408653960 QFIUSZOSTGEDSM-PMACEKPBSA-N 492.444 3.084 5 40 JGBB Cc1ccc([C@H](OC[C@H](O)CN[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 34868031 DJKJEDRVBXWITK-XDZVQPMWSA-N 466.534 3.054 5 40 JGBB COc1ccc(CN(C)C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1OC 44901445 WWQLWOSPTZFGGA-UHFFFAOYSA-N 499.545 3.466 5 40 JGBB CCCCn1/c(=N\C(=O)c2ccc3c(c2)OCO3)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176540 YJAHYGRMLXCWPG-NFFVHWSESA-N 488.500 3.096 5 40 JGBB COC(=O)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102709145 HRZYQCWAWVJHII-BHIFYINESA-N 473.441 3.433 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC(C)(C)Cc1ccccc1)S(C)(=O)=O 224700152 KMFCYYSEQJPFHI-UHFFFAOYSA-N 463.556 3.287 5 40 JGBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 108237568 WELBSSNBIPAZDC-CQSZACIVSA-N 484.538 3.437 5 40 JGBB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)N(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)s2)cc1 223321236 ITPBNTZQLAIBIP-CYBMUJFWSA-N 461.525 3.215 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1ccccc1CN1CCCC1)S(C)(=O)=O 224798190 JLINLHISPJLFDA-UHFFFAOYSA-N 488.610 3.362 5 40 JGBB Cc1ccc(O)c(-c2n[nH]c3c2[C@H](c2cccc([N+](=O)[O-])c2)N(CCCN2CCOCC2)C3=O)c1 27795492 UNSRJQGUBWINIA-DEOSSOPVSA-N 477.521 3.266 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1/C=C/c1ccccc1 8818887 UMMSOLPPKNWVPA-JDAOLRGGSA-N 475.526 3.372 5 40 JGBB Cn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 9328711 QMWJXTCOLBNIHA-UHFFFAOYSA-N 460.903 3.038 5 40 JGBB O=C(CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn12)Nc1ccc2c(c1)OCO2 9829064 MWYVCYMJKFOLHE-UHFFFAOYSA-N 450.436 3.159 5 40 JGBB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 12051053 GPQFSQHPHQSERS-UHFFFAOYSA-N 464.551 3.494 5 40 JGBB COc1cc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc([N+](=O)[O-])c1O 16409337 PUCTZIRNGVPMCE-UHFFFAOYSA-N 461.474 3.325 5 40 JGBB O=C(NC[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)c1ccc(Cl)cc1Cl 100041671 KGKISOOXXVBSEF-RQXXJAGISA-N 488.283 3.145 5 40 JGBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 102076409 IPEGQBFRBNFJRQ-GMLHRNBNSA-N 472.453 3.192 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cccc([N+](=O)[O-])c1C 103001085 MBPLIMXHBYLCRO-HPNDGRJYSA-N 489.488 3.365 5 40 JGBB CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260830814 IAVSZGKVHXOXNU-CRAIPNDOSA-N 477.539 3.096 5 40 JGBB O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)OCCOc1ccc(Br)cc1 2641278 SZMPLBNXVPAJQO-UHFFFAOYSA-N 457.664 3.363 5 40 JGBB Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCCN21 35851551 BHHKDNBRFKGAJY-ZVVFGRKBSA-N 480.908 3.296 5 40 JGBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@@H](C(=O)Nc3ccccc3)[C@@H]2C1=O 106534804 BMHBAANJEBYHQF-OLKYXYMISA-N 495.495 3.421 5 40 JGBB O=C(Oc1ccc2c(c1)CCN2C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc2c(c1)OCO2 1711696 IYTUXAZMXMYNQW-UHFFFAOYSA-N 476.397 3.474 5 40 JGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 9492988 FOONRCVNMBFCKO-UHFFFAOYSA-N 463.446 3.182 5 40 JGBB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 44904953 AIHXZITYLIYSLO-UHFFFAOYSA-N 453.542 3.162 5 40 JGBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 45221723 BTOOAUIUWIOKHA-UHFFFAOYSA-N 494.508 3.478 5 40 JGBB O=[N+]([O-])c1ccc(N=P(c2ccc3c(c2)OCCO3)(N2CCOCC2)N2CCOCC2)cc1 9086623 LYDLFAGGHIIFOA-UHFFFAOYSA-N 474.454 3.019 5 40 JGBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1NCc1ccco1 9720900 IHJIAQALHKMMEH-UHFFFAOYSA-N 487.494 3.219 5 40 JGBB O=[N+]([O-])c1ccc(-c2nnc(O)c3c2[C@@H](c2cccc(Br)c2)n2nnnc2N3)cc1 10296424 GPJSLNZXAQDJIY-MRXNPFEDSA-N 467.243 3.201 5 40 JGBB COc1c(C)cccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 13633011 LFSCHUFJYKYANH-LJQANCHMSA-N 454.527 3.465 5 40 JGBB CC[C@@H](C(=O)NCCOc1ccccc1C(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223822985 WIYSZHMSXSTOCV-FQEVSTJZSA-N 463.556 3.458 5 40 JGBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(F)cc1 408676643 BBPDQTVFQPRPCM-UHFFFAOYSA-N 492.375 3.178 5 40 JGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408687976 VJZGNWNTZAMXBY-AFHBHXEDSA-N 464.434 3.092 5 40 JGBB CCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1[N+](=O)[O-] 14273887 DBLGLBTTXDBJFL-UHFFFAOYSA-N 497.562 3.273 5 40 JGBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 138299442 CKFQPTMUNIKVGX-ODAXIHTASA-N 466.453 3.356 5 40 JGBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1cccc(F)c1 408602345 BSQPGYNEODNDQW-SOFGYWHQSA-N 456.386 3.132 5 40 JGBB COc1ccc(C)cc1NC(=O)c1nn(C)c(C(=O)Nc2cc(C)ccc2OC)c1[N+](=O)[O-] 857668 DOEWZMPMHPJMAS-UHFFFAOYSA-N 453.455 3.467 5 40 JGBB O=C(NCc1ccccc1F)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 9245294 ACYFGLMOHDYWKN-UHFFFAOYSA-N 455.895 3.104 5 40 JGBB CCOC(=O)c1nn(CC)cc1NC(=O)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 22562661 JALRVEXQJJWOQU-UHFFFAOYSA-N 456.503 3.362 5 40 JGBB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1[N+](=O)[O-] 57316343 PIXNUNWSDNXEQO-UHFFFAOYSA-N 499.593 3.425 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1ccccc1F 101176916 ZYXPLDCZEKSDJR-FAJYDZGRSA-N 486.459 3.347 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2F)n1C 108893255 YNHUKGOCFJJKMP-CYBMUJFWSA-N 472.502 3.393 5 40 JGBB COc1ccc(C)c2c1N(C(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)CCC2 609013693 GMZRLKXHBGCAPG-QGZVFWFLSA-N 473.551 3.292 5 40 JGBB COC[C@@H](C)n1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nc2ccccc2c1=O 9508031 PJEXGOWLCLCIJK-CYBMUJFWSA-N 458.496 3.252 5 40 JGBB COc1ccc(-c2nc(CN3CCN(CN4C(=O)c5cccc([N+](=O)[O-])c5C4=O)CC3)cs2)cc1 14254177 LXRMUGFNNMCHML-UHFFFAOYSA-N 493.545 3.098 5 40 JGBB CC(C)c1ccccc1NC(=O)COc1ccc(/C=C\c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1 30840463 NUUCVZNRXQDTHM-XFXZXTDPSA-N 450.451 3.283 5 40 JGBB C[C@H]1CCCN(S(=O)(=O)c2ccc(Nc3cccc(Cn4cncn4)c3)c([N+](=O)[O-])c2)C1 40149346 QWHVHEQBUAACNR-INIZCTEOSA-N 456.528 3.399 5 40 JGBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1 40718100 ROLSCVADBGRCJX-UHFFFAOYSA-N 495.580 3.378 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C1=O 103920133 LBLFAHLMBWKSMM-RBBKRZOGSA-N 487.428 3.294 5 40 JGBB C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5ccc([N+](=O)[O-])cc5)C4)cc3)C(=O)[C@@H]21 408671317 UCSLZKGQUOWUST-FLBJFFONSA-N 489.484 3.255 5 40 JGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408678171 CSCBGGXOARTYAL-DKSSEZFCSA-N 494.460 3.164 5 40 JGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9721088 KXOLPTBGPWFDMX-UHFFFAOYSA-N 460.390 3.033 5 40 JGBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 15018587 LWMITAPCUBJHDQ-FBHQFGEZSA-N 493.541 3.105 5 40 JGBB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC(N3CCO[C@@H](C)C3)CC2)c([N+](=O)[O-])c1 195529296 IDNMCQZINMPVGY-IBGZPJMESA-N 488.610 3.500 5 40 JGBB C[C@@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223652922 ZCLBWRAOIIGLJJ-INIZCTEOSA-N 463.556 3.242 5 40 JGBB CC(C)(C)OC(=O)NN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 2150649 RSTAFMPVVFQLRI-SIKLNZKXSA-N 491.504 3.201 5 40 JGBB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 2681597 CDNJBYIUDHDSAE-CNSVBDKNSA-N 495.582 3.428 5 40 JGBB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccccc1[N+](=O)[O-] 12855956 UUIZYGJNJSIWHY-UHFFFAOYSA-N 479.518 3.277 5 40 JGBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2 100892779 QYAVYCDACQDGJW-GGAORHGYSA-N 470.441 3.149 5 40 JGBB COc1ccccc1[C@H](C)NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223900123 SXGVHDCXBGOEOD-HNNXBMFYSA-N 465.528 3.036 5 40 JGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408685396 PHKIIRAYONYATO-VQTJNVASSA-N 492.444 3.084 5 40 JGBB O=C1C[C@@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)N1c1ccc(F)cc1 8846754 HZZQNGYFTSDFMS-GOSISDBHSA-N 466.391 3.207 5 40 JGBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9964016 BMADVYZOPRQIOO-UHFFFAOYSA-N 479.493 3.029 5 40 JGBB NC(=O)[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 10193786 BJYALSXLXNGQKL-SFHVURJKSA-N 450.417 3.173 5 40 JGBB CCOC(=O)C1=C(CN2CCN(c3cccc(Cl)c3)CC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286382 UMGHHEDJMJFTGH-QFIPXVFZSA-N 499.955 3.242 5 40 JGBB N=c1c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(F)cc1 101254454 SJQIBMMWOXVOPW-UHFFFAOYSA-N 467.504 3.289 5 40 JGBB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 195529360 UGXBZOMFBWODLP-UONOGXRCSA-N 476.331 3.430 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 408656485 SQYOTOCAPQNMAW-IWMITWMQSA-N 479.489 3.265 5 40 JGBB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccccc4[N+](=O)[O-])c(=O)n32)cc1 2665939 WWVKCDGEUZEJQU-WLJFKGHSSA-N 493.541 3.104 5 40 JGBB CC(C)[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 12805140 FNVIPSDJABHQJL-HXUWFJFHSA-N 459.528 3.301 5 40 JGBB Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 18422056 ABUFSBKTTFAISX-QFIPXVFZSA-N 487.468 3.292 5 40 JGBB C[C@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 33489342 AYTJTYHTQCNREM-LBPRGKRZSA-N 458.475 3.084 5 40 JGBB CC(C)Sc1nnc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1 223844870 CTPOLWSSOIXLPA-UHFFFAOYSA-N 459.575 3.132 5 40 JGBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 408681339 HVANLHRPOMPLCW-HDICACEKSA-N 465.462 3.019 5 40 JGBB COC(=O)c1ccc(/C=C(\c2ccc([N+](=O)[O-])o2)S(=O)(=O)c2ccc(NC(C)=O)cc2)o1 1565726 JWZVKXBMKRDFNU-WOJGMQOQSA-N 460.420 3.498 5 40 JGBB CC1=C[C@@H]2[C@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N2c2ccccc21 8992980 CLGKSYUBPOAEEQ-DEMACUESSA-N 487.512 3.232 5 40 JGBB Cc1nc(-c2ccc(CNc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])o2)cs1 16738069 NFXBMAGLCHYJOL-UHFFFAOYSA-N 464.525 3.253 5 40 JGBB O=C(NCc1ccccc1)C(=Cc1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NCc1ccccc1 33466958 COFJBWLZCCOFFW-UHFFFAOYSA-N 459.458 3.340 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)c1 408654427 BOUZGSQWPNSSME-GDIGMMSISA-N 495.488 3.325 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 9426607 VBCWCCLXGQCXEZ-SFHVURJKSA-N 480.521 3.142 5 40 JGBB O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O)N1CCOCC1 409148535 QKBIEXBLGMAHMK-DEDYPNTBSA-N 483.502 3.069 5 40 JGBB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 33663467 AYDANIWHNXNBKQ-UHFFFAOYSA-N 474.930 3.346 5 40 JGBB O=C(N[C@@H](N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 39029832 AWLFUXYCWBIUCE-UHYGZKCKSA-N 485.755 3.302 5 40 JGBB biogenic O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 103602683 BLLWKUZDXPENLR-RBBKRZOGSA-N 456.414 3.106 5 40 JGBB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408672581 VMGZMKMKXMMDTE-CVURWPNZSA-N 489.484 3.089 5 40 JGBB CN(C)[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccco1 12520969 YNWOXCZBCICNDB-IBGZPJMESA-N 458.496 3.021 5 40 JGBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCC(N)=O 16688339 ZPSNVQPXQZXVBI-UHFFFAOYSA-N 457.314 3.366 5 40 JGBB COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18045383 HRZYQCWAWVJHII-VSKRKVRLSA-N 473.441 3.433 5 40 JGBB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 58156517 RUDXZHXEFNHZKE-MOPGFXCFSA-N 460.556 3.085 5 40 JGBB CCN1CCN(C(=O)c2cc3c4ccccc4n4c(=O)c5c(OC)c(OC)ccc5c(n2)c34)CC1 62001265 COZSRJRNODXIFK-UHFFFAOYSA-N 470.529 3.387 5 40 JGBB biogenic COc1ccc(NS(=O)(=O)c2cccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2)cc1 89453687 WKRISZKCDXEMGI-UHFFFAOYSA-N 457.464 3.422 5 40 JGBB Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCCN21 103536485 BHHKDNBRFKGAJY-PLOUGOBLSA-N 480.908 3.296 5 40 JGBB CN(C)CCN(Cc1ccccc1)C(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 199424887 BQFRJYUPWSJYDH-QHCPKHFHSA-N 496.951 3.424 5 40 JGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 408654672 KUISXZQMTDFSIC-NSHDSACASA-N 482.276 3.445 5 40 JGBB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 409003363 SGLOKQYFDHUKHX-IBGZPJMESA-N 458.467 3.431 5 40 JGBB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)C1=O 9591943 BOSGVJLHULXSMZ-DEOSSOPVSA-N 465.510 3.333 5 40 JGBB COC(=O)c1cc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc(C(=O)OC)c1 9630998 ISTPKJPCGYQOBG-UHFFFAOYSA-N 478.479 3.135 5 40 JGBB COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c1 9987867 DFTQAQVWBPKSBQ-UHFFFAOYSA-N 453.904 3.296 5 40 JGBB Cc1c(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)cccc1[N+](=O)[O-] 19935471 BXOMOMISSHREAJ-UHFFFAOYSA-N 453.904 3.359 5 40 JGBB CCSc1nnc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)s1 225124866 HKTYEXNGTKRZQC-UHFFFAOYSA-N 459.575 3.052 5 40 JGBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(N)=O 408559351 VHQKCFSWJOQXHX-UHFFFAOYSA-N 471.251 3.074 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408685987 QUBXRTXBGZXEBN-BJZITVGISA-N 466.450 3.482 5 40 JGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 3364745 LQHIVLSRRRAMGS-OAHLLOKOSA-N 488.456 3.487 5 40 JGBB COc1cc(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(C)cc1[N+](=O)[O-] 8801746 TVTCTCISBBTDSM-UHFFFAOYSA-N 474.473 3.346 5 40 JGBB aggregator COC1CCN(c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2[N+](=O)[O-])CC1 9322690 UFWOUNVFMKXVFM-UHFFFAOYSA-N 488.566 3.247 5 40 JGBB Cc1cc(=O)c(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)nn1-c1ccccc1[N+](=O)[O-] 21898027 ICNWWQPLQOCQMU-UHFFFAOYSA-N 476.276 3.124 5 40 JGBB Cn1cnc([N+](=O)[O-])c1N1CCN(Cn2nc(-c3ccco3)n(-c3ccccc3)c2=S)CC1 32815184 BGFADBIXXXRGCK-UHFFFAOYSA-N 466.527 3.085 5 40 JGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cccc(OC)c1OC 103931997 RHPHYHHXOHJYDY-WEMUOSSPSA-N 490.516 3.165 5 40 JGBB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 138571318 CZTTWVGFVDWAJD-QGZVFWFLSA-N 483.477 3.087 5 40 JGBB CCCSc1nnc(NC(=O)[C@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)s1 225051618 WTXJAKJOJINCTJ-ZDUSSCGKSA-N 473.602 3.440 5 40 JGBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)C(=O)O)o2)c1 408634853 XHAJZFZUAQHSHU-UUASQNMZSA-N 490.406 3.494 5 40 JGBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)[C@@H]2[C@H](C)O1 9448625 YUIRQXJSEOGENO-RQOZVNRLSA-N 484.896 3.056 5 40 JGBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9971354 FVRXEGDZTVMOAG-UHFFFAOYSA-N 453.238 3.408 5 40 JGBB CCOc1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 31489734 JPPAZINOWKUQBI-UHFFFAOYSA-N 477.539 3.494 5 40 JGBB COC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 205820304 XHTKRLBDWHAIAR-VCHYOVAHSA-N 458.448 3.392 5 40 JGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408688112 VTBMMNSUXKQQJB-KDURUIRLSA-N 450.407 3.012 5 40 JGBB COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@@H]3O[C@@H](C)[C@@H](O)[C@](C)(O)[C@H]3O)ccc(O)c12 5497002 BJPYMDSMDBCKEP-YGQLGJRFSA-N 496.512 3.063 5 40 JGBB in-vitro CCOC(=O)C1=C(COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])NC(=O)N[C@H]1c1cccs1 9377012 MMEGENMFOORMIY-INIZCTEOSA-N 465.871 3.338 5 40 JGBB COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC 13504026 FGNNFUSQTFLVRC-JOCHJYFZSA-N 481.557 3.265 5 40 JGBB CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 20565384 PHIUVIDQNUAGGF-UHFFFAOYSA-N 467.916 3.173 5 40 JGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(N3CCSCC3)c(C(=O)O)c2)c1C 58148032 JHKOKTIMVQXAJD-UHFFFAOYSA-N 451.526 3.264 5 40 JGBB N=c1c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3ccccc3nc2n1Cc1ccco1 101140067 HVOJZZVNNZGAQR-UHFFFAOYSA-N 459.893 3.353 5 40 JGBB C[C@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223652971 ZCLBWRAOIIGLJJ-MRXNPFEDSA-N 463.556 3.242 5 40 JGBB O=C(Oc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408657810 JEOVOJZHKDIXIJ-IPHXSNPTSA-N 475.457 3.009 5 40 JGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408679807 FIXCUJNESDNYGF-BJZITVGISA-N 494.460 3.164 5 40 JGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 408682845 KAELXSBPUQLCQY-LXGCGDOSSA-N 464.434 3.258 5 40 JGBB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1 409347562 QGLKIWFMWBJDRE-UHFFFAOYSA-N 454.512 3.001 5 40 JGBB CN(C(=O)c1ccncc1)c1ccc(CNC(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)cc1 1628305882 NFMYTZKQSKYEAL-UHFFFAOYSA-N 457.446 3.450 5 40 JGBB O=C(CCNc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 11647697 SLSLPYHTMMPJGF-UHFFFAOYSA-N 487.365 3.237 5 40 JGBB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 12605896 UQJINEPIFPXDMS-UHFFFAOYSA-N 496.545 3.289 5 40 JGBB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 22533335 IOQPSQQXQIEIAG-UHFFFAOYSA-N 452.492 3.417 5 40 JGBB COc1cc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C2CCCCC2)ccc1OCC(N)=O 22707544 SZMLLVBUGHKANU-UHFFFAOYSA-N 471.510 3.208 5 40 JGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccc(C)c(Cl)c1)S(C)(=O)=O 224179507 JAGXYQVPLWYOLI-UHFFFAOYSA-N 499.973 3.307 5 40 JGBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cccc(OCC)c3)CC2)c([N+](=O)[O-])c1 408571793 GANGFIYUGYORSJ-UHFFFAOYSA-N 486.550 3.007 5 40 JGBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1=O 409308017 VXGFIJWQRQCPAS-SFTDATJTSA-N 474.425 3.228 5 40 JGBB COc1cccc(NC(=O)CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 17969804 HQKYRHDEUNEANM-UHFFFAOYSA-N 498.517 3.115 5 40 JGBB CC(=O)Nc1cc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)ccc1F 25472559 PDPZULQLURCFCP-UHFFFAOYSA-N 478.502 3.040 5 40 JGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N\C(=O)c1ccc(Cl)cc1 31937127 BSNSKLXPLZAVPQ-SLMZUGIISA-N 494.935 3.175 5 40 JGBB COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccco3)c2=N)cc1 101107475 QIFSACCYGWOVOB-UHFFFAOYSA-N 483.528 3.059 5 40 JGBB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 409345812 MESGSMBIWSMBED-UHFFFAOYSA-N 454.512 3.427 5 40 JGBB