smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCNC(=O)n1c(=O)cc2n1[C@@H](c1cccc([N+](=O)[O-])c1)/C(=C(/O)OC(C)C)C(C)=N2 100861773 ZLZCHNUYOVRLRK-HQMFNGAOSA-N 443.460 3.416 5 1 IGBF C[C@]1(c2n[nH]cc2[N+](=O)[O-])c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963449773 SNOIVUNWBHNFRZ-GAJHUEQPSA-N 445.435 3.214 5 1 IGBF Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1[C@]21N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963522622 FWVFDPOYQHFSRS-BVZFJXPGSA-N 444.443 3.352 5 1 IGBF C[C@]1(CN2CCc3nc(-c4cc(F)cc(F)c4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857547138 OPOKYSYPSRIBPH-NRFANRHFSA-N 427.411 3.341 5 1 IGBF CN(C)C(C)(C)COC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085548 NHHLVUAWUDIEHQ-QGZVFWFLSA-N 446.529 3.206 5 1 IGBF COc1ccccc1N1CCN(CCCn2cnc3c(cnc4ccc(C)cc43)c2=O)CC1 72106710 HGWHFXZNIDCEKA-UHFFFAOYSA-N 443.551 3.474 5 1 IGBF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135688 KYHQKPHVQBPVFJ-HOTGVXAUSA-N 425.489 3.007 5 1 IGBF CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N(C)C 771661 SATACMMZULSPBB-PZJWPPBQSA-N 443.456 3.191 5 1 IGBF C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCc1ccccn1 82083986 LXFHVUIQRRVUOP-CYBMUJFWSA-N 426.454 3.018 5 1 IGBF CCOC(=O)[C@H](C(C)=O)[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)c2ccccc2oc1=O 40916527 JHBSZXNSPBPDEC-MSOLQXFVSA-N 425.393 3.307 5 1 IGBF CC1CCC(NS(=O)(=O)Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1 586953224 PXDRBZHBLHYKBA-UHFFFAOYSA-N 431.312 3.232 5 1 IGBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587264291 KZKNCJXNICAKKV-OLZXVPHOSA-N 429.286 3.470 5 1 IGBF CNC(=O)NCCOCCn1ccc2c(C(=O)OC)c3nc4ccccc4c3c(C)c2c1 1772571581 XPCUWXPMOSNYDK-UHFFFAOYSA-N 434.496 3.383 5 1 IGBF Cc1cc(Br)cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 587270559 NKVNZRNNAKRQGG-AWEZNQCLSA-N 432.278 3.441 5 1 IGBF CCN(CC)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1 72112404 AEOVORPOZVUOMW-UHFFFAOYSA-N 437.525 3.147 5 1 IGBF C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Br)cc1 27555925 KZKXFKBXZRTLQQ-LLVKDONJSA-N 443.275 3.021 5 1 IGBF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 82134623 KBRZEZZMYYWQEK-BEFAXECRSA-N 425.489 3.197 5 1 IGBF CCOC(=O)[C@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 95594740 QELGEQVUIARCQV-KSFYIVLOSA-N 444.440 3.296 5 1 IGBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cc(Cl)c([N+](=O)[O-])n1 587867985 GBANKBQQAWLSCB-UHFFFAOYSA-N 430.730 3.071 5 1 IGBF COC(=O)c1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2n1 587053075 ARTYZYFTSVVDDM-OAHLLOKOSA-N 431.836 3.433 5 1 IGBF O=[N+]([O-])c1cnc2[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc2c1 587108444 MVJOBWRVNHEAAB-ZDUSSCGKSA-N 441.391 3.411 5 1 IGBF COc1ccccc1-c1nc(NCCNc2ccc([N+](=O)[O-])cn2)ncc1-n1ccnc1 1772589080 YJTYBXGZZQFMBY-UHFFFAOYSA-N 432.444 3.165 5 1 IGBF O=c1nc(N2CCN(C(=S)Nc3ccccc3)CC2)sc2ccc([N+](=O)[O-])cc12 1772589205 UTLILQNOKQDLCD-UHFFFAOYSA-N 427.511 3.084 5 1 IGBF COc1cc2c(cc1OCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c12 14969851 NTXOBQMXOFCPOA-UHFFFAOYSA-N 433.512 3.129 5 1 IGBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587261460 BWUJYVMXMKUTHZ-JTQLQIEISA-N 426.385 3.153 5 1 IGBF CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587609772 VZSGCDCJMQXDBO-RXVVDRJESA-N 441.417 3.407 5 1 IGBF C[C@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587577929 UWGAFPDZWILKEB-MPXOCMMTSA-N 427.409 3.116 5 1 IGBF CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccccc3N)c([N+](=O)[O-])c2)CC1 13814855 KEQWSKKEOZLWRV-VQHVLOKHSA-N 426.498 3.032 5 1 IGBF O=C(O)c1cc(Br)cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 587269249 JMTKENUTAPAPCK-UHFFFAOYSA-N 429.190 3.180 5 1 IGBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCOCCO 4213649 YQSWECQUEIXFID-OALUTQOASA-N 441.912 3.387 5 1 IGBF COc1ccc2[nH]c3c(C(=O)NCCN(C)C)ccc4c3c(nn4CCN3CCCC3)c2c1 27072863 DFQABMCHBLBSEO-UHFFFAOYSA-N 448.571 3.067 5 1 IGBF COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)n4cc([N+](=O)[O-])cn4)[nH]c3c2)cc1 587277509 XJGBIQNUVIXLFQ-LBPRGKRZSA-N 442.457 3.086 5 1 IGBF CCOc1cc([C@H]2NC(=O)NC(c3ccn(C)n3)=C2c2ccsc2)cc([N+](=O)[O-])c1O 114755143 DONZBYIZBMQWPQ-QGZVFWFLSA-N 441.469 3.417 5 1 IGBF O=C(Nc1ccccc1)N1CCc2c(cnn2Cc2cn(-c3ccccc3[N+](=O)[O-])nn2)C1 1857630969 WVVNIGIPMYFQOP-UHFFFAOYSA-N 444.455 3.011 5 1 IGBF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)[C@@H](OC(=O)c1ccccc1)C2 13447543 XFDVAPZJHKZTNE-LNRXMEIDSA-N 438.480 3.389 5 1 IGBF C[C@]1([C@@H](O)c2ccc(F)cc2)NC(=S)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O 72177275 RZTOANXYQFHCBY-WMLDXEAASA-N 443.378 3.466 5 1 IGBF O=C(N[C@@H](COCc1ccccc1)C(=O)O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085866 SJWJFRSIASRANQ-INIZCTEOSA-N 427.438 3.118 5 1 IGBF CN(C(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1 82148825 OZLNIGWWUQBKOD-UHFFFAOYSA-N 425.489 3.293 5 1 IGBF COc1ccc2c(CN3CCC(NS(C)(=O)=O)CC3)cc3cc4c(cc3c2c1)OCO4 43061909 QEHUDIVPFRFWSS-UHFFFAOYSA-N 442.537 3.244 5 1 IGBF C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656122 FUKZPIUFQQMRLV-GFCCVEGCSA-N 439.378 3.423 5 1 IGBF COc1cc(OC)c2c(=O)c3cc(N)c(N4CCN(c5ccccn5)CC4)cc3[nH]c2c1 40950172 KAIXRHFECQFKET-UHFFFAOYSA-N 431.496 3.002 5 1 IGBF O=[N+]([O-])c1cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)nn1CC(F)(F)F 587091656 HLYJJHXPTMDKBK-UHFFFAOYSA-N 443.285 3.190 5 1 IGBF O=C(O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576426 OOUCLGWEXOPNJU-UGKGYDQZSA-N 437.360 3.467 5 1 IGBF O=C(NCc1ccco1)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 59822655 YMMUYVVSLVQQMG-XUZZJYLKSA-N 446.463 3.109 5 3 IGBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCC(C)(C)CO 4216594 HXFJONCCKQBSTG-UXHICEINSA-N 449.504 3.472 5 1 IGBF C[C@]1(COCc2ccc(Oc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2S1(=O)=O 1772623789 XTCFVHGQBASZSO-HXUWFJFHSA-N 429.454 3.346 5 1 IGBF CCN(C(=O)COC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1)c1ccccc1 201471534 DSGDDSSHCJMEKN-UHFFFAOYSA-N 427.442 3.074 5 3 IGBF NS(=O)(=O)C1=NN2C(=NC(c3ccccc3)=C[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)S1 72183990 ALVGJJYBYLXVGK-OAHLLOKOSA-N 449.901 3.308 5 1 IGBF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(NCCOC)c([N+](=O)[O-])c3)[nH]c2c1 587265747 QYDKLVNBBYFNGO-UHFFFAOYSA-N 447.517 3.227 5 1 IGBF C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](CC(=O)O)[C@H]1C[N+](=O)[O-] 587577933 UWGAFPDZWILKEB-UTQQMKCBSA-N 427.409 3.116 5 1 IGBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](C)CN(C)C 4212235 AJRZUBMESRQFRN-SZFUDVHCSA-N 448.520 3.404 5 1 IGBF O=C(O)C(=Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1cc2c(cc1Br)OCO2 1857623227 QOSHXRLIRSUBGX-UHFFFAOYSA-N 436.170 3.440 5 1 IGBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccnc(O)c2[nH]1 586948288 GIRRSRATVGBHOP-UHFFFAOYSA-N 425.426 3.348 5 1 IGBF CN1C(=O)[C@@H]([C@@]2(O)C(=O)N(Cc3ccccc3)c3cc([N+](=O)[O-])ccc32)c2ccccc21 206045676 NQKFKAVKEOEFSH-XUZZJYLKSA-N 429.432 3.089 5 3 IGBF COC(=O)c1cccc2nc3c([C@H](C(=O)OC)[C@@H](O)CCCC(C)(C)O)cccc3nc12 40401904 WLMRJQPFNIUWBX-OALUTQOASA-N 440.496 3.128 5 1 IGBF biogenic O=C(NCc1ccc2c(c1)OCO2)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135398 XZSIJVPJLZGFJA-UHFFFAOYSA-N 447.451 3.311 5 1 IGBF CC1CCN(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)CC1 1857561337 VQUZOQLXSYSQDX-UHFFFAOYSA-N 435.468 3.499 5 1 IGBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)O2 34518675 NUKDCOSOCIMEOE-PKTZIBPZSA-N 439.464 3.407 5 1 IGBF CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40918009 HAHJMDJDZPFDRI-OAQYLSRUSA-N 431.443 3.263 5 1 IGBF Cc1cc2cc3nc(cc4cc(C)c(cc5nc(cc1[nH]2)C(=O)[C@@]5(C)O)[nH]4)C(=O)[C@]3(C)O 256426464 KDTTYUOOJRPMSG-RPWUZVMVSA-N 430.464 3.112 5 1 IGBF COc1ccc(C(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@@H]2CCCC(=O)O)cc1[N+](=O)[O-] 72180072 NIINGEAYHSVLTC-SUWCGCSTSA-N 445.516 3.173 5 1 IGBF O=C(NC[C@H]1CCCN(C2Cc3ccccc3C2)C1)c1cc([N+](=O)[O-])c2cccnc2c1O 473102973 MQCBTMHXZZOWAK-MRXNPFEDSA-N 446.507 3.458 5 1 IGBF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc(OCCCC(=O)O)ccc1[N+](=O)[O-] 963614690 YSYDWGSFXKWLKO-DMZKTXOQSA-N 430.457 3.479 5 1 IGBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cnc2[nH]1 587265859 XSNKIPPONNFQDL-WPPNPWJKSA-N 426.311 3.327 5 1 IGBF Cc1nn(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] 587656140 GJQNYTUTENOAIY-UHFFFAOYSA-N 439.378 3.485 5 1 IGBF O=C(O)c1cccc2nc3c4c(ccc3nc12)[C@H]1C2=C(C[C@H]4[C@@H]1O)N=C1C=CC=C(O)[C@H]1N2 2356478989 ZSCZBYPSTUVQGT-LLQDIAFJSA-N 438.443 3.063 5 1 IGBF CS(=O)(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc([N+](=O)[O-])cn2)cc1 29412417 ASKZUPKOUMSXKQ-UHFFFAOYSA-N 427.364 3.233 5 1 IGBF CCO/C(O)=C1\C(Cn2ccnc2)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 597052 KOBISGPSVZRIHX-LDSGZGKSSA-N 426.429 3.283 5 1 IGBF O=C(NCc1ccc(F)cc1)c1c(O)c2ncsc2n(-c2cccc([N+](=O)[O-])c2)c1=O 35010327 WZUINEFXKXTGHH-UHFFFAOYSA-N 440.412 3.130 5 1 IGBF COc1ccc(-c2ccc3nnc(-c4ccc(OC)c(OC)c4OC)n3n2)cc1[N+](=O)[O-] 1772597908 GNJMLEMMHWYMFD-UHFFFAOYSA-N 437.412 3.401 5 1 IGBF COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC 769177 HDCNGPHICNPIKH-MJGOQNOKSA-N 433.848 3.445 5 1 IGBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)ncc2[nH]1 587265531 VTHBIKIIAXYGIN-NXSYQRQQSA-N 437.210 3.071 5 1 IGBF COCCNc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1[N+](=O)[O-] 587261380 AINVFIJKMYPBFB-UHFFFAOYSA-N 435.444 3.256 5 1 IGBF O=C(NCc1ccco1)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081153 JUKMPGOBCQOWMB-HNNXBMFYSA-N 440.481 3.480 5 1 IGBF C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587577932 UWGAFPDZWILKEB-QCRSQXJJSA-N 427.409 3.116 5 1 IGBF O=C(O)CCC[C@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1ccc(F)c([N+](=O)[O-])c1)[C@@H]23 72180175 TVOLDYLHCFBHEI-HPNQWNLUSA-N 433.480 3.304 5 1 IGBF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82134760 WCWNRSJGOTXFCD-HZPDHXFCSA-N 425.489 3.007 5 1 IGBF Cn1c([N+](=O)[O-])cnc1S(=O)(=O)CCCCCCCOc1ccccc1[N+](=O)[O-] 169347005 LIGCGNOZHDOESI-UHFFFAOYSA-N 426.451 3.040 5 1 IGBF CC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(C)NCCc2c1c(C(C)C)nn2C 962917955 MJKWCVHKPHNFEP-IIBYNOLFSA-N 429.477 3.169 5 1 IGBF CCCCCC(=O)O[C@@H](COC(=O)CCCC)CO[P@](=O)(O)OCC[N+](C)(C)C 584904728 IZTOQGOABQJQQN-KRWDZBQOSA-O 440.494 3.052 5 1 IGBF in-vitro NC(=O)c1cc(N2CCC(c3nc4cc(C(F)(F)F)ncc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263306 RDWZHYZSPABJGM-UHFFFAOYSA-N 434.378 3.368 5 1 IGBF COc1ccc(NS(=O)(=O)c2ccc(-n3nnc4ccccc43)c([N+](=O)[O-])c2)cc1 8670512 KYFGUOHLJMZVNX-UHFFFAOYSA-N 425.426 3.138 5 3 IGBF aggregator O=C(O)c1cccc2nc3c4c(ccc3nc12)[C@H]1C2=C(C[C@H]4[C@@H]1O)N=C1C=CC=C(O)[C@@H]1N2 2356478990 ZSCZBYPSTUVQGT-SCMPGPAASA-N 438.443 3.063 5 1 IGBF CCn1cc([N+](=O)[O-])c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587656096 FPNXXKPOQJZWJU-UHFFFAOYSA-N 425.351 3.155 5 1 IGBF CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4052653 CUKBNHMSLUKHDT-HKUYNNGSSA-N 431.876 3.475 5 1 IGBF O=C1COc2cc(Br)ccc2N1CCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586999821 ILTPJAVNMIMSOG-UHFFFAOYSA-N 435.209 3.341 5 1 IGBF CCOC(=O)Cc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 587266394 LGOPVYAFXXGSDK-WYRIXSBYSA-N 443.416 3.019 5 1 IGBF CC(C)CCNC(=O)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 61695563 FWFLWDPOEUMHFK-QPPBQGQZSA-N 436.512 3.362 5 3 IGBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N1CCOCC1 4215605 RTJZTKCOAYLUOL-NHCUHLMSSA-N 449.504 3.485 5 1 IGBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N1CCOCC1 4215602 LGZIFHROYYNUIO-VQTJNVASSA-N 433.461 3.196 5 1 IGBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 587868247 JMARXOYUDZOZNW-UHFFFAOYSA-N 437.290 3.477 5 1 IGBF O=C(NCc1ccco1)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 13478405 YMMUYVVSLVQQMG-QPPBQGQZSA-N 446.463 3.109 5 3 IGBF CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1[N+](=O)[O-] 586940927 KRSOYLLRELLAPL-UHFFFAOYSA-N 448.313 3.373 5 1 IGBF O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc([N@@+]3([O-])C=CC=N3)cc2)c2cccnc12 1857756621 CNXZHDYLGXXFAH-GOGYHYQUSA-N 431.496 3.436 5 1 IGBF COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82086100 DRIXDDFOUAVOKR-QGZVFWFLSA-N 441.465 3.207 5 1 IGBF C/C(=C\C[C@@]12CCN(C)[C@@H]1[N+](C)(C)c1ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)O 238743677 XWNCKCJXIPNPSH-PFKVUDBDSA-O 448.587 3.315 5 1 IGBF Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 9425792 HXWRJJXWQGFQID-IUGIXFBWSA-N 447.491 3.484 5 1 IGBF CCS(=O)(=O)c1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1 587270095 KEGLWIDZZLQZMW-UHFFFAOYSA-N 442.497 3.285 5 1 IGBF CC(C)NC(=O)N1CCN(c2ccc([C@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cc2)CC1 28961955 GHNXDEFTOVIAEX-LJQANCHMSA-N 427.461 3.294 5 1 IGBF O=C(O)c1cccc2nc3c4c(ccc3nc12)[C@H]1c2nc3c(O)cccc3nc2C[C@@H]4[C@H]1O 1857549458 JPMKFWGOMOITLB-OCPCCLDUSA-N 436.427 3.276 5 1 IGBF COCCNc1ccc(-c2nc3cc(I)cnc3[nH]2)cc1[N+](=O)[O-] 587262592 YMNXGJZTSQOLDM-UHFFFAOYSA-N 439.213 3.196 5 1 IGBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N1CCOCC1 4215609 RTJZTKCOAYLUOL-SFTDATJTSA-N 449.504 3.485 5 1 IGBF NC(=O)c1cc(N2CCC(c3nc4cc(Br)cnc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262910 HWGPOHNJCYZWKF-UHFFFAOYSA-N 445.277 3.112 5 1 IGBF Cc1cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br 587269347 BBDZEFAGVBGMFT-AWEZNQCLSA-N 432.278 3.441 5 1 IGBF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OC[C@@H]1CCCN1C 82082702 QDGVWVIUHONHIE-KSSFIOAISA-N 446.529 3.110 5 1 IGBF CC(C)CN(CCCN1CCN(CCCNc2ccc([N+](=O)[O-])cn2)CC1)CC(C)C 27209232 AFGBGMCOIBEMRZ-UHFFFAOYSA-N 434.629 3.414 5 1 IGBF CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1[N+](=O)[O-] 586940784 FXCXCZARUCKGPC-UHFFFAOYSA-N 448.313 3.373 5 1 IGBF COc1ccc(-c2nn3c(-c4ccc(OC)c(OC)c4OC)nnc3s2)cc1[N+](=O)[O-] 1857759192 WQKLBFNTKXHFHW-UHFFFAOYSA-N 443.441 3.462 5 1 IGBF COCCOc1ccc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587265239 NBKNFEDKOYGHFO-UHFFFAOYSA-N 445.375 3.457 5 1 IGBF CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccccc3C=O)c([N+](=O)[O-])c2)CC1 13814864 JOGGIPBFAFXTJX-VQHVLOKHSA-N 439.493 3.262 5 1 IGBF CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 27558107 KTIMFDLPODESNR-HXUWFJFHSA-N 448.435 3.031 5 1 IGBF COC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 64548583 WBULQFDOQQYADC-FQEVSTJZSA-N 433.424 3.248 5 1 IGBF C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](CC(=O)O)[C@H]1C[N+](=O)[O-] 587577925 UWGAFPDZWILKEB-GQUXIYHPSA-N 427.409 3.116 5 1 IGBF CCCCN1CCC(CNC(=O)c2cc(Br)c([N+](=O)[O-])c3[nH]cnc23)CC1 13491758 UMAWCBMYNRCHPP-UHFFFAOYSA-N 438.326 3.476 5 1 IGBF CC[C@@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 775684 FJKKGCULQXPPFB-YPMHNXCESA-N 433.461 3.413 5 1 IGBF C/C(=C\C[C@@]12CCN(C)[C@@H]1[N+](C)(C)c1ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 43019768 XWNCKCJXIPNPSH-GOQLITQTSA-O 448.587 3.315 5 1 IGBF O=C(O)c1ccc2oc3ccc(OC[C@@H](O)C[S@](=O)c4ccccc4)cc3c(=O)c2c1 169322001 VFDGWHUZPBDUHJ-QLCIJSRNSA-N 438.457 3.192 5 1 IGBF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586936446 MYNIPPCXVFGWMA-AWEZNQCLSA-N 435.531 3.256 5 1 IGBF COc1cc([N+](=O)[O-])c(F)cc1[C@@H]1N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962636052 LPCXVOYJRKJJLB-BZNIZROVSA-N 430.310 3.329 5 1 IGBF CCOC(=O)[C@H](Cc1c[nH]c2cc([N+](=O)[O-])ccc12)NC(=O)C(=O)c1c[nH]c2ccccc12 27557532 JVLSYKOUOGCHPF-FQEVSTJZSA-N 448.435 3.031 5 1 IGBF CCOC(=O)Cc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 587266393 LGOPVYAFXXGSDK-WLRWDXFRSA-N 443.416 3.019 5 1 IGBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)ncc2[nH]1 587265534 VTHBIKIIAXYGIN-WJWGPLDTSA-N 437.210 3.071 5 1 IGBF O=C(NCc1ccco1)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 103766036 NHYQBKKEJXZFIW-URXFXBBRSA-N 446.463 3.109 5 3 IGBF CCOC(=O)CNC(=O)[C@@H]1[C@H](c2ccc(Cl)nc2)[C@H]2CC[C@H]1[N@+]2(C)Cc1ccccc1 253644676 HIBNEWHCBIJYJJ-FXYQFJFOSA-O 442.967 3.306 5 1 IGBF CSc1ccc(S(=O)(=O)NCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1[N+](=O)[O-] 586941441 TULYHPVPIFRSKT-UHFFFAOYSA-N 447.420 3.085 5 1 IGBF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCCCN(C)C 82082694 LBLWKWSELDNRCE-GOSISDBHSA-N 448.545 3.358 5 1 IGBF CN(C)C(C)(C)COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085436 OHDCLSMOBSEYBW-KRWDZBQOSA-N 446.529 3.206 5 1 IGBF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cncc([N+](=O)[O-])c2[nH]1 586935433 HLWHTJSSKRADLH-CYBMUJFWSA-N 435.531 3.256 5 1 IGBF COc1cc(Br)c([C@H](N)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1OC 586975651 OXWRZZUWQXUGJS-HNNXBMFYSA-N 425.214 3.438 5 1 IGBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc(Br)c2[nH]1 587266114 ZXXMYACBSHKBPQ-WPPNPWJKSA-N 437.210 3.071 5 1 IGBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4212233 AJRZUBMESRQFRN-DLPLYFIVSA-N 448.520 3.404 5 1 IGBF COC(=O)N1C(=O)N(C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C1C 96272067 XBHIDAKVJKFMAW-OAHLLOKOSA-N 435.389 3.132 5 1 IGBF Cc1cc2cc3nc(cc4cc(C)c(cc5nc(cc1[nH]2)C(=O)[C@@]5(C)O)[nH]4)C(=O)[C@@]3(C)O 14767900 KDTTYUOOJRPMSG-ZEQRLZLVSA-N 430.464 3.112 5 1 IGBF biogenic CCOC(=O)[C@H](C(C)=O)[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O 40916535 UHJCEKZGXKWYDC-MSOLQXFVSA-N 425.393 3.307 5 1 IGBF O=C(O)c1cccc2nc3c4c(ccc3nc12)[C@H]1c2nc3c(O)cccc3nc2C[C@H]4[C@@H]1O 2356756763 JPMKFWGOMOITLB-WJGMRIAGSA-N 436.427 3.276 5 1 IGBF O=[N+]([O-])c1cc(Br)cc2nc(-c3nccnc3I)[nH]c12 587186341 IEHKVXGQTBOEHJ-UHFFFAOYSA-N 446.002 3.295 5 1 IGBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])cc(OC)c1OCC(=O)O)CC2=O 587473701 ZQKVIKDGVKPCIR-KRWDZBQOSA-N 431.397 3.431 5 1 IGBF CNC(=O)NCCCCCNC(=O)c1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccccc12 1772581879 YYBUDMPDQKZWBR-UHFFFAOYSA-O 432.548 3.436 5 1 IGBF CCOC(=O)CNC(=O)[C@@H]1[C@@H](c2ccc(Cl)nc2)[C@@H]2CC[C@H]1[N+]2(C)Cc1ccccc1 40496480 HIBNEWHCBIJYJJ-ZRKDRVDBSA-O 442.967 3.306 5 1 IGBF Cc1onc(-c2nc3c(Br)cncc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080417 VBLGBGBZYBYITN-UHFFFAOYSA-N 438.629 3.490 5 1 IGBF O=C(O)COc1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576112 MNDSPKPOZAXHSF-SIKLNZKXSA-N 437.360 3.467 5 1 IGBF COc1ccc2[nH]c3nc(=NCc4ccc(CN5CCC(=O)CC5)cc4)nc(O)c-3cc2c1 1857632372 FFDNILYRHYAYJE-UHFFFAOYSA-N 443.507 3.043 5 1 IGBF C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H](C)N1CCN1C(=O)CC2(CCCC2)CC1=O 13560162 BFZPCLNPQUOCAP-QZTJIDSGSA-N 428.533 3.203 5 1 IGBF CCOC(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 587266765 OKTZLTMTIVJXDQ-BTDLBPIBSA-N 429.389 3.090 5 1 IGBF O=C(N[C@H](COCc1ccccc1)C(=O)O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085867 SJWJFRSIASRANQ-MRXNPFEDSA-N 427.438 3.118 5 1 IGBF CCOC(=O)C1=CN=[S@@](=O)(c2ccc3oc4ccc(C(=O)O)cc4c(=O)c3c2)C=C1O 169338603 UGOLOPGEMCEONF-HKBQPEDESA-N 441.417 3.331 5 1 IGBF CN(C)CCOc1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1 587268883 CKPMBZGLZDHNTQ-UHFFFAOYSA-N 437.500 3.431 5 1 IGBF CCOc1cc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc([N+](=O)[O-])c1O 962964987 KKLSQKGQFYPZHT-ZBEGNZNMSA-N 428.775 3.319 5 1 IGBF C[C@@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1cc([N+](=O)[O-])cn1 587657057 RNVHDUNNZOOHRV-NSHDSACASA-N 425.351 3.348 5 1 IGBF O=C(CCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)Nc1nc(C2CCC2)cs1 1857620129 STDVYHSYYXYQHD-UHFFFAOYSA-N 429.546 3.465 5 1 IGBF COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O 28572716 DMPSINIEXXLEKP-JOCHJYFZSA-N 444.447 3.173 5 1 IGBF COc1cc(OC)c2c(=O)cc(N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)oc2c1 653813188 QIQXLKWHDJYWCH-UHFFFAOYSA-N 425.441 3.041 5 1 IGBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](C)CN(C)C 4212238 AJRZUBMESRQFRN-WVFSVQOHSA-N 448.520 3.404 5 1 IGBF COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O 3948280 OHRYEADYUNDADW-OAQYLSRUSA-N 430.420 3.149 5 1 IGBF O=[N+]([O-])c1ccn(CCCc2nc3c(Br)cnc(Br)c3[nH]2)n1 587274390 USGLRTVNJLWTQD-UHFFFAOYSA-N 430.060 3.220 5 1 IGBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 963134172 CYQNXLURZFOFPP-SWLSCSKDSA-N 449.441 3.116 5 1 IGBF CN(C)C(C)(C)COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085547 NHHLVUAWUDIEHQ-KRWDZBQOSA-N 446.529 3.206 5 1 IGBF CC1(C)N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)N=C(N)N1OCc1ccc2ccccc2c1 45320597 SFEACNQLFQBQHZ-UHFFFAOYSA-N 446.467 3.332 5 1 IGBF COC(=O)c1ccc(-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)c(O[C@H]2CCOC2)c1 587925075 NAQYNWRSCMPDFS-INIZCTEOSA-N 440.408 3.418 5 1 IGBF C[C@@]1(COCc2ccc(OCc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2[S@]1=O 1857646272 HGBDKMZUMDRMLX-URAOTHONSA-N 427.482 3.467 5 1 IGBF COc1cc2c(cc1OC)CN(CCn1cnc3cc(Cl)c([N+](=O)[O-])cc3c1=O)CC2 1857632100 LNKMPDXPAMYMTC-UHFFFAOYSA-N 444.875 3.034 5 1 IGBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)[C@H](O)[C@@H](C(C)(C)O)O4 14586281 INYICHQLUHYLEX-GMAHTHKFSA-N 442.464 3.440 5 1 IGBF biogenic CCOC(=O)CCN1CCN(CCO[C@@H](c2ccccc2)c2ccc([N+](=O)[O-])cc2)CC1 29324800 NRSNWBAFTXUKAZ-DEOSSOPVSA-N 441.528 3.272 5 1 IGBF CN(C)CCN1C(=O)c2c(c3c4cc5c(cc4[nH]c3c3[nH]c4ccncc4c23)OCO5)C1=O 40424776 OXJCYQHHZFUZIS-UHFFFAOYSA-N 441.447 3.237 5 1 IGBF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OCC(=O)O)cc1[N+](=O)[O-])CC2=O 587472882 NYDBNOZBVPSXPT-KRWDZBQOSA-N 431.397 3.431 5 1 IGBF COc1ccc(S(=O)(=O)Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 586920014 CZJNVPAFHSTIJC-UHFFFAOYSA-N 426.248 3.216 5 1 IGBF CS(=O)(=O)N1CCc2c(ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2N)C1 586955268 NBEGJNCIIGNELI-UHFFFAOYSA-N 444.520 3.226 5 1 IGBF COCCNc1ccc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587261990 LDIUKDDSAQAZAV-UHFFFAOYSA-N 444.391 3.490 5 1 IGBF COc1cc(-c2nc3cc(I)cnc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260984 OCHGMBSIHITGAK-UHFFFAOYSA-N 426.170 3.155 5 1 IGBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)ncc2[nH]1 587265529 VTHBIKIIAXYGIN-JKYUHCHBSA-N 437.210 3.071 5 1 IGBF CCO/C(O)=C1\C(Cn2ccnc2)=NC(C)=C(C(=O)OC)[C@H]1c1ccccc1[N+](=O)[O-] 27724655 HFMWTQFJLZZYPQ-BWVDKLOVSA-N 426.429 3.283 5 1 IGBF O=C(NCC1CCCCC1)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 82134712 IQFKXDAEYCAEAL-UHFFFAOYSA-N 425.489 3.199 5 1 IGBF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc12 587038395 SHIQBSPXAUUOEY-MRVPVSSYSA-N 429.418 3.127 5 1 IGBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCC(C)(C)CO 4216592 HXFJONCCKQBSTG-WOJBJXKFSA-N 449.504 3.472 5 1 IGBF CC1(C)C=Cc2c(cc3oc4c5c(c(O)cc4c(=O)c3c2O)O[C@H](C(C)(C)O)[C@@H]5O)O1 13382730 OHRIQNJHLMZPSG-NQIIRXRSSA-N 426.421 3.107 5 1 IGBF biogenic CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc([N+](=O)[O-])c4ccccc34)C(=O)N21 28463952 YBKVFRWWSSDFHO-IGNZVWTISA-N 438.440 3.277 5 1 IGBF Cc1c(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980251 UJGPZMFEEYJEGA-UHFFFAOYSA-N 439.291 3.459 5 1 IGBF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587232253 VBGXBWNMGLLJTJ-UHFFFAOYSA-N 445.863 3.072 5 1 IGBF N[C@@H](CCc1nc2cc(Br)cc(F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270473 KPIKJPQIFPJBEU-ZDUSSCGKSA-N 436.241 3.271 5 1 IGBF C[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587744581 HILWFCVRNHEXQA-OBXKABKQSA-N 429.286 3.341 5 1 IGBF O=C(NCc1ccco1)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 59938849 NHYQBKKEJXZFIW-XUZZJYLKSA-N 446.463 3.109 5 3 IGBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587261468 BWUJYVMXMKUTHZ-SNVBAGLBSA-N 426.385 3.153 5 1 IGBF CCOC(=O)[C@@]1(C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1cc(OC)c(OC)c(OC)c1 95596547 ALYBUDFOVXUZEB-FPTDNZKUSA-N 444.440 3.296 5 1 IGBF NCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 96168019 GHBDWRYJFOPLCY-UHFFFAOYSA-N 441.469 3.498 5 1 IGBF CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587609771 VZSGCDCJMQXDBO-NQIIRXRSSA-N 441.417 3.407 5 1 IGBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2nn(C)cc2[N+](=O)[O-])N1 587753988 XKJSNTPNECSLDE-BFCKBKLPSA-N 438.301 3.083 5 1 IGBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1cccc(C2=NC(C)(C)CO2)c1 587937856 ONDDFERXGIMQSL-UHFFFAOYSA-N 425.445 3.230 5 1 IGBF Cc1onc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587078755 ARANSZBBQJCCCN-UHFFFAOYSA-N 428.718 3.142 5 1 IGBF CCOC(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 587266764 OKTZLTMTIVJXDQ-BMLIUANNSA-N 429.389 3.090 5 1 IGBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 587871567 JZNYAQNGXWDPKG-UHFFFAOYSA-N 436.403 3.324 5 1 IGBF COc1ccc2nc3oc(=O)ccc3c(Nc3ccc(NS(C)(=O)=O)cc3OC)c2c1 40846186 YQDKWHUFRHKFQP-UHFFFAOYSA-N 441.465 3.474 5 1 IGBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cnc2[nH]1 587264332 LRTWTFKSASMSEV-CPFSXVBKSA-N 437.210 3.071 5 1 IGBF Cn1c(-c2ccc([N+](=O)[O-])cc2)nc2ccc(C(=O)NCc3ccc(F)cc3)c(O)c2c1=O 84713100 SKWUNMBVMINBGQ-UHFFFAOYSA-N 448.410 3.283 5 1 IGBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2nn(C)cc2[N+](=O)[O-])N1 587753991 XKJSNTPNECSLDE-UPSLFQMNSA-N 438.301 3.083 5 1 IGBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1[C@H](COc1cc(F)cc(F)c1)N=O 587945349 NCUTULLVLKBYLE-OAHLLOKOSA-N 437.359 3.308 5 1 IGBF COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O 28572714 DMPSINIEXXLEKP-QFIPXVFZSA-N 444.447 3.173 5 1 IGBF CS(=O)(=O)c1cc(-c2nc3ccnc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl 586926282 MVIDASZXGPZBNX-UHFFFAOYSA-N 431.655 3.353 5 1 IGBF CC(=O)NCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149084 WYXLXRFIEUQLCY-UHFFFAOYSA-N 440.504 3.005 5 1 IGBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](C)[C@@H](C[N+](=O)[O-])[C@@H]2CC(=O)O)N1 587744582 HILWFCVRNHEXQA-PRPFNDNWSA-N 429.286 3.341 5 1 IGBF CCOc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc([N+](=O)[O-])c1O 962964985 KKLSQKGQFYPZHT-BZNIZROVSA-N 428.775 3.319 5 1 IGBF O=C(Cc1ccccc1[N+](=O)[O-])NCCC1CCN(C[C@H]2COc3ccccc3O2)CC1 13813612 GPSUKPDJVAFHNV-FQEVSTJZSA-N 439.512 3.196 5 1 IGBF Cc1cc([N+](=O)[O-])nn1CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657560 ZQMXHPFNWKRVMR-UHFFFAOYSA-N 425.351 3.095 5 1 IGBF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccccc1[N+](=O)[O-])CC2=O 587468107 ATRCLSXEYADQRZ-QFIPXVFZSA-N 427.409 3.246 5 1 IGBF O=C(COC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 201470676 ADQBMVYGFHZXNU-UHFFFAOYSA-N 433.833 3.313 5 3 IGBF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2c1 587261075 RXNIWIOIFZSPTC-UHFFFAOYSA-N 434.474 3.186 5 1 IGBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)[C@@H](O)[C@@H](C(C)(C)O)O4 14586284 INYICHQLUHYLEX-GGAORHGYSA-N 442.464 3.440 5 1 IGBF biogenic,in-vitro COc1cccc(N2CCN(C(=O)c3cccn4c(=O)c5cc(Cl)ccc5nc34)CC2)c1 2957423 IDODPQUCPVVVOG-UHFFFAOYSA-N 448.910 3.472 5 1 IGBF COc1ccc(-c2cc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1[N+](=O)[O-] 1857644149 GNMPUCVBQKMZHZ-UHFFFAOYSA-N 425.401 3.334 5 1 IGBF CCOC(=O)CCOCCCOCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587566556 SQKACCDKVJJCBP-UHFFFAOYSA-N 444.282 3.153 5 1 IGBF COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C 13648573 KXIKZCTVXBQIAI-MOPGFXCFSA-N 428.461 3.026 5 1 IGBF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82134758 WCWNRSJGOTXFCD-HOTGVXAUSA-N 425.489 3.007 5 1 IGBF CCOC(=O)CNC(=O)[C@@H]1[C@@H](c2ccc(Cl)nc2)[C@H]2CC[C@H]1[N@+]2(C)Cc1ccccc1 253644680 HIBNEWHCBIJYJJ-JHZAQOGJSA-O 442.967 3.306 5 1 IGBF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586947219 ZFEWHLZEADHTQM-GFCCVEGCSA-N 434.449 3.043 5 1 IGBF COC(=O)c1ccnc2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12 587054304 JQSPGRHRFRJJFK-AWEZNQCLSA-N 431.836 3.433 5 1 IGBF Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])c(Br)c1 33817040 YRMVKPSVXTVSAU-UHFFFAOYSA-N 449.290 3.372 5 1 IGBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587274184 GOZCZPGODKPXOW-UHFFFAOYSA-N 432.849 3.326 5 1 IGBF CCOc1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])n[nH]3)c(=O)c3ccccc23)cc1OCC 587669073 IPVDSXBEQZDHMC-UHFFFAOYSA-N 449.423 3.181 5 1 IGBF CS(=O)(=O)c1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608805 SWKIGRITYDDAPS-NQIIRXRSSA-N 441.417 3.407 5 1 IGBF C[C@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587744578 HILWFCVRNHEXQA-GJYOMGPOSA-N 429.286 3.341 5 1 IGBF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)[C@@H](OC(=O)c1ccccc1)C2 100645257 XFDVAPZJHKZTNE-YUMYIRISSA-N 438.480 3.389 5 1 IGBF Cc1onc(-c2nc3cc(C(=O)N(C)C)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079832 OOWGXWSICWVMMJ-UHFFFAOYSA-N 429.824 3.035 5 1 IGBF O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)N1CCOCC1 1860800 FQVUGYLZHUQASQ-UHFFFAOYSA-N 425.286 3.359 5 1 IGBF Cc1cc2c(cc1O)[C@H](c1cc([N+](=O)[O-])ccc1Sc1ncccn1)N[C@H](C(=O)O)C2 963554336 UKZQRPXXAPSEKZ-QFBILLFUSA-N 438.465 3.238 5 1 IGBF O=[N+]([O-])c1cccnc1NCc1nc2c(Br)cnc(Br)c2[nH]1 587268540 CQEPMQAPFGITSF-UHFFFAOYSA-N 428.044 3.398 5 1 IGBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cccc(OCc3ccccc3)c2[nH]1 587272549 NYBQQBOPXWYZOG-SFTDATJTSA-N 448.435 3.083 5 1 IGBF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1 962697682 LUPUVHJKONSHFP-HOTGVXAUSA-N 442.321 3.308 5 1 IGBF COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C 13648568 KXIKZCTVXBQIAI-OALUTQOASA-N 428.461 3.026 5 1 IGBF CCOC(=O)CCN1CCN(CCO[C@H](c2ccccc2)c2ccc([N+](=O)[O-])cc2)CC1 29324805 NRSNWBAFTXUKAZ-XMMPIXPASA-N 441.528 3.272 5 1 IGBF COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)CN1C(=O)C(=O)c2cc(Br)ccc21 96930100 MEXACIOJDYSEQS-XYOKQWHBSA-N 445.225 3.143 5 1 IGBF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587232077 SLIRUMHNCQZZLU-WDEREUQCSA-N 425.283 3.270 5 1 IGBF O=C(CN1CCCC1)Nc1ccc2cc3ccc(NC(=O)CN4CCCC4)cc3nc2c1 13679549 RGHKPLRVHYUFND-UHFFFAOYSA-N 431.540 3.457 5 1 IGBF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82148278 OBQRBXRKKBZJDW-IYBDPMFKSA-N 425.489 3.007 5 1 IGBF Cc1cc(=O)oc2c(-c3nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3C=O)c(O)ccc12 96940182 DCUDZOAZJONTLV-UHFFFAOYSA-N 436.336 3.289 5 1 IGBF Cc1onc(-c2nc3ncc(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079068 GCRBAIBANZTIMQ-UHFFFAOYSA-N 438.629 3.490 5 1 IGBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cccc(I)c4[nH]3)nn2)c1 587270735 ZUDHPFZDRSMSAK-UHFFFAOYSA-N 432.181 3.323 5 1 IGBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Cn1nc([N+](=O)[O-])cc1C 587868939 XIQWTKNXMADHOW-JTQLQIEISA-N 438.366 3.362 5 1 IGBF Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)c2ccccc2C(=O)c2c1ccc(C)c2[N+](=O)[O-] 963528536 TXXBOGQOFNUVQC-UQBPGWFLSA-N 444.443 3.352 5 1 IGBF O=[N+]([O-])c1nc2n(c1Br)C[C@H](OCc1ccc(OC(F)(F)F)cc1)CO2 66259958 FTJPPMBJWBDENB-JTQLQIEISA-N 438.156 3.430 5 1 IGBF Cc1nc([N+](=O)[O-])cn1CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656108 FSHBBSDGDSKNET-UHFFFAOYSA-N 425.351 3.095 5 1 IGBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc(Br)c2[nH]1 587266113 ZXXMYACBSHKBPQ-UHLUBPPHSA-N 437.210 3.071 5 1 IGBF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(COC(=O)c3ccc4c(ccc5ccccc54)c3)S[C@H]12 26261050 SNFBHFMPLWKIIE-VCZCTPPBSA-N 449.484 3.358 5 1 IGBF COc1ccc([C@H]2C=C(c3cc(OC)c(OC)c(OC)c3)NC(=S)N2)cc1[N+](=O)[O-] 40848524 RGHBIQFUBDLEAR-CYBMUJFWSA-N 431.470 3.189 5 1 IGBF CCCCOCCCNC(=O)[C@@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82082820 URNWLUQAKVRFFQ-CQSZACIVSA-N 434.518 3.160 5 1 IGBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(I)cc3[nH]2)cc1 586920800 YQLXMIMPPVIELX-UHFFFAOYSA-N 443.222 3.050 5 1 IGBF COC(=O)c1cc2nc(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)[nH]c2cc1OC 587079796 NTTBYLNAJJUJOV-UHFFFAOYSA-N 446.807 3.128 5 1 IGBF Cc1cc2c(cc1O)[C@@](C)(c1cc(N3CCSCC3)ccc1[N+](=O)[O-])N[C@H](C(=O)O)C2 963528606 UQQTZCDTSSNOBZ-AVRDEDQJSA-N 443.525 3.024 5 1 IGBF Cc1onc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080851 YVNWCKQHNROCGE-UHFFFAOYSA-N 448.739 3.149 5 1 IGBF C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 27557773 CLTMQJVHEPMOKF-LLVKDONJSA-N 432.376 3.278 5 1 IGBF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586936448 MYNIPPCXVFGWMA-CQSZACIVSA-N 435.531 3.256 5 1 IGBF COc1cc2c3c(c1)O[C@H](c1ccc(OCn4cc([N+](=O)[O-])cn4)c(OC)c1)[C@@H](C2)C3=O 587434405 UPMHJLPQRKNSBG-KSFYIVLOSA-N 437.408 3.334 5 1 IGBF C[C@H]1CN(Cc2ccc3nc4ccc(CN5C[C@H](C)N[C@H](C)C5)cc4nc3c2)C[C@H](C)N1 169322336 BYJBPPWENBJCFG-LWYYNNOASA-N 432.616 3.147 5 1 IGBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CCN(C)C)c2c1 587621475 UJAQORBKJBPMKY-UHFFFAOYSA-N 432.502 3.298 5 1 IGBF CN(CCc1ccccc1)C1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)NC(=O)CC3)CC1 26830041 DTEZOQWIQZKZAO-UHFFFAOYSA-N 436.512 3.259 5 1 IGBF Cc1ccccc1-c1nn(-c2ccc([N+](=O)[O-])cc2)cc1CNCCN1CCN(C)CC1 96938565 NCLBFCMPIVMVDI-UHFFFAOYSA-N 434.544 3.093 5 1 IGBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2nn(C)cc2[N+](=O)[O-])N1 587750845 JWFIUVOHDNWDFB-WOZMCRCCSA-N 438.301 3.083 5 1 IGBF O=C(NCc1ccco1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081272 AJEZKJIUMUDRPW-CQSZACIVSA-N 440.481 3.480 5 1 IGBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)nc2[nH]1 587264926 QGCZWPOPQIOEAE-UHLUBPPHSA-N 437.210 3.071 5 1 IGBF O=C(Cn1cc(COc2ccc(Br)cc2[N+](=O)[O-])nn1)c1ccc(O)cc1 61931049 SLMHJDKNQQQCAH-UHFFFAOYSA-N 433.218 3.116 5 3 IGBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NC[C@H](O)CC 4212359 VVSQMMMBWHPYBY-GBLZOACLSA-N 435.477 3.225 5 1 IGBF Cc1c(C(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@@H]2CCCC(=O)O)cccc1[N+](=O)[O-] 72180273 NKGWCLAJFVGETB-UPSSIMKTSA-N 429.517 3.473 5 1 IGBF N[C@@H](CCc1nc2cc(Br)c(F)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270034 HZCWSORXQOYQDB-ZDUSSCGKSA-N 436.241 3.271 5 1 IGBF Cc1ccc(-n2ncc(C(=O)O)c2NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 1857772565 AXKKFGOLMBIWLH-UHFFFAOYSA-N 434.364 3.146 5 1 IGBF CCOC(=N)c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1 71296142 NVEXNKMNWILMFP-UHFFFAOYSA-N 428.474 3.395 5 1 IGBF CCc1cnc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174512 WGJRUVBTRYOJHJ-UHFFFAOYSA-N 438.513 3.406 5 1 IGBF CCN(CC)CC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccc([N+](=O)[O-])c1 35033985 UXECJXRCZCXYTC-HSZRJFAPSA-N 427.501 3.428 5 1 IGBF Cc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163665 LAYVICKLORYMLO-HNNXBMFYSA-N 438.513 3.494 5 1 IGBF CSc1ccc(S(=O)(=O)NCc2nc3ccc4ncccc4c3[nH]2)cc1[N+](=O)[O-] 586941045 NEZBPACHJOASBZ-UHFFFAOYSA-N 429.483 3.220 5 1 IGBF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135690 KYHQKPHVQBPVFJ-HZPDHXFCSA-N 425.489 3.007 5 1 IGBF CCCCC(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 299859985 ISMXOYFZKJOTFY-UHFFFAOYSA-N 444.435 3.422 5 1 IGBF CCOC(=O)CNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12 1772648685 KVMOOQWQYNCHEV-UHFFFAOYSA-N 427.258 3.133 5 1 IGBF COc1ccc2c(c1-c1cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc1N)OCO2 40421179 CJPHJTBDQIBLOI-UHFFFAOYSA-N 443.437 3.382 5 1 IGBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cc([N+](=O)[O-])c(OC)n1 587865764 ICNPRPUCGAEQHF-UHFFFAOYSA-N 439.350 3.421 5 1 IGBF O=C(NCCOCCO)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2480344 ASEFDXIUIQFEFY-UHFFFAOYSA-N 449.822 3.448 5 1 IGBF O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc([N+](=O)[O-])ccc2Cl)CC1 13560136 XUSSJIRIJFBRBH-UHFFFAOYSA-N 434.924 3.080 5 1 IGBF O=C(c1ccc(SCCN2CCOCC2)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 34859812 NUXMJEIGJHPIMH-UHFFFAOYSA-N 427.526 3.218 5 1 IGBF CCOC(=O)N1C(=O)N(C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1C 96272062 WRSFXMVDUKDKJP-HNNXBMFYSA-N 435.389 3.134 5 1 IGBF C[C@@H]1O[C@H]2C[C@@](O)([C@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 2356739422 ZMLLDRWWCOURCP-KGXULHFFSA-N 439.471 3.473 5 1 IGBF CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 40753474 JFTHTAIVAOVCPE-QGZVFWFLSA-N 441.440 3.084 5 1 IGBF O=C1CC2(CCCC2)Oc2cc(OC[C@H](O)CNc3ccc([N+](=O)[O-])cc3O)ccc21 95589769 HPZFKSYYBYDUCE-OAHLLOKOSA-N 428.441 3.430 5 1 IGBF COc1ccc2c(c1OC)C[N@+]1(CCCC(=O)O)CCc3cc4c(cc3[C@@H]1C2)OCO4 1857548456 KWQBZMUQOCKZSF-DFBJGRDBSA-O 426.489 3.468 5 1 IGBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccccc3OCCCO)cc1)C2 45258879 NYKIRJBLCYPGQK-SFHVURJKSA-N 425.441 3.197 5 1 IGBF COc1ccc([C@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1Cn1cc([N+](=O)[O-])cn1 963614689 YMUCGZNNVJSABM-QKFKETGDSA-N 438.484 3.489 5 1 IGBF CCOC(=O)C(=O)c1cc2ccccc2n1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 28116192 MQDUNZUTQDJLIX-UHFFFAOYSA-N 436.829 3.186 5 1 IGBF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586947222 ZFEWHLZEADHTQM-LBPRGKRZSA-N 434.449 3.043 5 1 IGBF CCCc1cc(N)c([N+](=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 28254172 LBBWEFLRGNVFNF-UHFFFAOYSA-N 431.456 3.187 5 1 IGBF O=[N+]([O-])c1cnc2[nH]c([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc2c1 587108441 MVJOBWRVNHEAAB-CYBMUJFWSA-N 441.391 3.411 5 1 IGBF CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587609770 VZSGCDCJMQXDBO-GHTZIAJQSA-N 441.417 3.407 5 1 IGBF C[C@@H]1CCCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cn(C)cc2[N+](=O)[O-])C1 27101095 MPYZQAMQBYHHOH-GFCCVEGCSA-N 428.420 3.311 5 1 IGBF CCN(CC)CCn1c2cc(N3CCSCC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 26251842 ANRHBCCEYKLSOD-UHFFFAOYSA-N 442.585 3.043 5 1 IGBF CC(C)CCNC(=O)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 253994909 FWFLWDPOEUMHFK-XUZZJYLKSA-N 436.512 3.362 5 3 IGBF CCOC(=O)C1=CN[C@H](C(=O)OCC)[C@H]1c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-] 1650881 CRRGETQFRZIOJY-MSOLQXFVSA-N 433.848 3.104 5 1 IGBF CCOC(=O)[C@@H](Cc1c[nH]c2cc([N+](=O)[O-])ccc12)NC(=O)C(=O)c1c[nH]c2ccccc12 27557530 JVLSYKOUOGCHPF-HXUWFJFHSA-N 448.435 3.031 5 1 IGBF CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 40918010 HAHJMDJDZPFDRI-NRFANRHFSA-N 431.443 3.263 5 1 IGBF CCCc1cc(F)ccc1OC[C@@H](O)COc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1 141003175 WODJPDQVDKFZCC-AWEZNQCLSA-N 433.388 3.317 5 1 IGBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](C)[C@@H](C[N+](=O)[O-])[C@@H]2CC(=O)O)N1 587747890 SRRQSQLRFIUCED-BCEWBQRLSA-N 429.286 3.341 5 1 IGBF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](C)[C@@H](C[N+](=O)[O-])[C@@H]2CC(=O)O)N1 587747893 SRRQSQLRFIUCED-NOKIUJRFSA-N 429.286 3.341 5 1 IGBF O=C(NCc1ccco1)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 59938848 NHYQBKKEJXZFIW-ZJSXRUAMSA-N 446.463 3.109 5 3 IGBF COc1cc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)ccc1Oc1nn(C)cc1[N+](=O)[O-] 963033096 PLJQSIATFMNRPV-PEBXRYMYSA-N 449.467 3.272 5 1 IGBF Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 9425793 HXWRJJXWQGFQID-RQKIBSNQSA-N 447.491 3.484 5 1 IGBF COC(=O)c1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cn1 587053128 BMIGJQZAXTWGNL-INIZCTEOSA-N 431.836 3.433 5 1 IGBF C[C@@]1(c2n[nH]cc2[N+](=O)[O-])c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963449775 SNOIVUNWBHNFRZ-SBUREZEXSA-N 445.435 3.214 5 1 IGBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587263506 AQVGPSMFTXNAPN-NZFNHWASSA-N 437.315 3.235 5 1 IGBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587263899 HQIVPVMHRVESHM-YPMLDQLKSA-N 441.379 3.238 5 1 IGBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cnc2[nH]1 587264334 LRTWTFKSASMSEV-UHLUBPPHSA-N 437.210 3.071 5 1 IGBF CS(=O)(=O)c1cc(-c2nc3cncc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl 586927858 WWXZUPCPNWNBEW-UHFFFAOYSA-N 431.655 3.353 5 1 IGBF Cc1nn(Cc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)c(C)c1[N+](=O)[O-] 587652307 BTIDZIBHIYWPJC-UHFFFAOYSA-N 427.804 3.101 5 1 IGBF COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCO)c([N+](=O)[O-])cc1OC 2482067 UUULMCXUJMLUMD-UHFFFAOYSA-N 447.831 3.310 5 1 IGBF COc1cc2c(=O)c3cc(N)c(N4CCN(c5ccccn5)CC4)cc3n(C)c2cc1OC 40421404 MQGDUTMBNJZYQH-UHFFFAOYSA-N 445.523 3.013 5 1 IGBF C[C@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587577931 UWGAFPDZWILKEB-OYBWXXIASA-N 427.409 3.116 5 1 IGBF O=C(O)c1cccc2nc3c4c(ccc3nc12)[C@H]1C2=C(C[C@H]4[C@H]1O)N=C1C=CC=C(O)[C@H]1N2 2356478988 ZSCZBYPSTUVQGT-CQGSLHGJSA-N 438.443 3.063 5 1 IGBF O=[N+]([O-])c1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1F 586942387 FAJQVQYGNIDYCK-UHFFFAOYSA-N 433.248 3.438 5 1 IGBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587263895 HQIVPVMHRVESHM-MLCYQJTMSA-N 441.379 3.238 5 1 IGBF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(OCCOC)c([N+](=O)[O-])c3)[nH]c2c1 587264129 BBMYRXZMSIULLY-UHFFFAOYSA-N 448.501 3.242 5 1 IGBF Cc1cc(C)n(C[C@]2(c3cccc([N+](=O)[O-])c3)NC[C@H]3CC(=O)N(C)c4cccc2c43)n1 963034195 QURDFVNEJUDQCS-MZNJEOGPSA-N 431.496 3.405 5 1 IGBF COc1cc(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)cc(OC)c(c1c23)c54 13650843 NSZZOXIDMIFTCS-UHFFFAOYSA-N 434.400 3.341 5 1 IGBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccc(OCCCO)c3)cc1)C2 45287290 ICDKRAOFDYLMKV-FQEVSTJZSA-N 425.441 3.197 5 1 IGBF CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)c(F)cc3[nH]2)cc1[N+](=O)[O-] 586941999 ZDGDWIONOQQRAT-UHFFFAOYSA-N 430.870 3.464 5 1 IGBF CN1CCN(Cc2ccc(CN=c3nc4[nH]c5ccc(Cl)cc5cc-4c(O)n3)cc2)CC1 1857630807 BCBNWSNPYVNXQV-UHFFFAOYSA-N 448.958 3.270 5 1 IGBF CCOC(=O)C1=C(C)NC(=N)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 64540342 NWLOQTPVCCYYJJ-NRFANRHFSA-N 446.467 3.453 5 1 IGBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1OCC1CC1)C2 72179275 KOLXWSQJGIBQLS-ZDUSSCGKSA-N 428.367 3.030 5 1 IGBF CN1CCN(Cc2cc(=O)oc3c2c2c(c4oc([N+](=O)[O-])cc43)C=CC(C)(C)O2)CC1 169342964 JGLSKQSOJOEWDI-UHFFFAOYSA-N 425.441 3.379 5 1 IGBF Cc1cc2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc2cc1[N+](=O)[O-] 586943181 VRWXPOUDFSTQGV-UHFFFAOYSA-N 431.293 3.082 5 1 IGBF COC(=O)C1=C(C)NC(CF)=C(C(=O)OC)[C@@H]1c1cccc2c(=O)c3ccccc3oc12 31862379 ZKKUXDWRQPUELU-LJQANCHMSA-N 437.423 3.477 5 1 IGBF COCCOc1cc2ncnc(Nc3ccc(OC)c([N+](=O)[O-])c3)c2c2c1OCCO2 653886923 KTXKGFHGOIKTLE-UHFFFAOYSA-N 428.401 3.087 5 1 IGBF COCCNC(=O)c1ccc(NCc2cccnc2)c2c(O)c3cccc(OC)c3nc12 299860688 GYTGAAKCWHUMSR-UHFFFAOYSA-N 432.480 3.486 5 1 IGBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)nn1)C2 66251923 MKDPAVZTRCBPMW-AWEZNQCLSA-N 437.334 3.125 5 1 IGBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587264290 KZKNCJXNICAKKV-GMAUIZIOSA-N 429.286 3.470 5 1 IGBF CCN(CC)CCNc1ccc(CNS(C)(=O)=O)c2sc3ccccc3c(=O)c12 3784462 NAMOLZVVTPNNTE-UHFFFAOYSA-N 433.599 3.218 5 1 IGBF COc1cc([N+](=O)[O-])c(F)cc1[C@@H]1N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962636055 LPCXVOYJRKJJLB-ZBEGNZNMSA-N 430.310 3.329 5 1 IGBF C[C@H]1O[C@H]2C[C@@](O)([C@@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 2356739421 ZMLLDRWWCOURCP-KGPXXHAWSA-N 439.471 3.473 5 1 IGBF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OC[C@H]1CCCN1C 82082710 QDGVWVIUHONHIE-RDTXWAMCSA-N 446.529 3.110 5 1 IGBF COc1nn([C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-] 587660225 DGGRQGJHNCTZPM-GFCCVEGCSA-N 437.387 3.217 5 1 IGBF Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1[C@@]21N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963522620 FWVFDPOYQHFSRS-AVRWGWEMSA-N 444.443 3.352 5 1 IGBF CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1C[C@H](O)COc1ccc([N+](=O)[O-])cc1 40753472 JFTHTAIVAOVCPE-KRWDZBQOSA-N 441.440 3.084 5 1 IGBF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCC(C)(C)N(C)C 82082689 BFODKHLYSYXLHK-KRWDZBQOSA-N 448.545 3.356 5 1 IGBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])cc(OC)c1OCC(=O)O)CC2=O 587473702 ZQKVIKDGVKPCIR-QGZVFWFLSA-N 431.397 3.431 5 1 IGBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCCCO3 587266892 QCUSWKPJJSNOEW-MLCYQJTMSA-N 429.389 3.075 5 1 IGBF CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H]3CN(Cc4ccc([N+](=O)[O-])o4)C[C@@H]3C2)cc1 1857643309 SBALBRDSFYHTGK-HZPDHXFCSA-N 433.530 3.238 5 1 IGBF CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C(=O)N(C)C)cc2)c([N+](=O)[O-])c1 13765360 OQQSQRAGOQLDOR-UHFFFAOYSA-N 435.488 3.093 5 1 IGBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(O)nc(S)nc4[nH]3)cc2)nc1C(F)(F)F 587119577 ZPNXFLDUGFODPE-UHFFFAOYSA-N 437.363 3.186 5 1 IGBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(C(=O)O)ncc1Br 587938859 DWARIDFNOVZSBM-SECBINFHSA-N 428.239 3.468 5 1 IGBF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 82134624 KBRZEZZMYYWQEK-KXBFYZLASA-N 425.489 3.197 5 1 IGBF COc1cc2c(=O)n(CCCN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 27076836 NPYPIDNHYXFJFL-UHFFFAOYSA-N 435.480 3.401 5 1 IGBF COC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82086101 DRIXDDFOUAVOKR-KRWDZBQOSA-N 441.465 3.207 5 1 IGBF CCOC(=O)[C@]1(C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1c1cc(OC)c(OC)c(OC)c1 95596544 ALYBUDFOVXUZEB-JLCFBVMHSA-N 444.440 3.296 5 1 IGBF Cc1cc(-n2c(O)ccc2OCCn2c([N+](=O)[O-])cnc2C)nn1Cc1ccccc1F 587944254 BLLZFHPNCKIJPO-UHFFFAOYSA-N 440.435 3.367 5 1 IGBF O=C(CCn1cc([N+](=O)[O-])cn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656297 JBSCWRDXPNKFTL-UHFFFAOYSA-N 425.351 3.177 5 1 IGBF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2c1 587260735 BNQMJLMDYICASQ-UHFFFAOYSA-N 434.474 3.234 5 1 IGBF CCCCCO[C@H](CNC(=O)CCCCC)CO[P@](=O)(O)OCC[N+](C)(C)C 26729505 JFDOZTBUZKLJNG-GOSISDBHSA-O 425.527 3.098 5 1 IGBF O=C(CCCn1c2ccccc2c2nc3ccccc3nc21)NCCCN1CCOCC1 1772573838 OABXSOCXARRUCJ-UHFFFAOYSA-N 431.540 3.356 5 1 IGBF NCCCC[C@H](C(N)=O)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cc(-c2ccccc2)on1 29563576 KJMLZUUTFZKTTB-OAQYLSRUSA-N 437.500 3.235 5 1 IGBF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 587275290 BEHGQLRBOZTDFQ-LBPRGKRZSA-N 442.457 3.086 5 1 IGBF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O 587434634 XJNOOIFRGGJHTM-NOPHNCEQSA-N 443.408 3.343 5 1 IGBF CCc1cnc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2cccc([N+](=O)[O-])c2)s1 82219628 JQYSCTVFRDYALK-UHFFFAOYSA-N 438.513 3.406 5 1 IGBF CN(C)S(=O)(=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587110091 RYBXWXPNFYQMIB-UHFFFAOYSA-N 428.392 3.331 5 1 IGBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cnc2[nH]1 587265849 XSNKIPPONNFQDL-CPFSXVBKSA-N 426.311 3.327 5 1 IGBF Cc1nn(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] 587657569 ZVMIMNLNUITBSC-UHFFFAOYSA-N 425.351 3.095 5 1 IGBF Nc1ccc(-c2ccc3nc(CC[C@H](N)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c3c2)cc1N 587274604 ZUEVVGRGIAYCMI-SFHVURJKSA-N 445.483 3.201 5 1 IGBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Cn1nc([N+](=O)[O-])cc1C 587868941 XIQWTKNXMADHOW-SNVBAGLBSA-N 438.366 3.362 5 1 IGBF Cc1c(C(F)(F)F)cc2nc(C3=N[C@H](C(=O)N4CCCC4)CO3)sc2c1[N+](=O)[O-] 653785019 UIZMQOXMTKEZDN-NSHDSACASA-N 428.392 3.300 5 1 IGBF CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccc(C(=O)OC)cc2)c([N+](=O)[O-])c1 13765365 CDIGQXMKOFBXNN-UHFFFAOYSA-N 436.472 3.202 5 1 IGBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587273413 SRGJDZMZMMVQTH-KBPBESRZSA-N 442.375 3.116 5 1 IGBF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O 587389636 MFLRVAPRLRHRIK-PIGZYNQJSA-N 430.413 3.443 5 1 IGBF Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 101024409 QIGGSNZJUZPADQ-KDURUIRLSA-N 448.431 3.399 5 1 IGBF CSc1ccc(S(=O)(=O)NCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] 586940604 AYYUOYMSGJQERP-UHFFFAOYSA-N 448.313 3.373 5 1 IGBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587263505 AQVGPSMFTXNAPN-MLXNANBUSA-N 437.315 3.235 5 1 IGBF C[C@]1(COCc2ccc(OCc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2[S@@]1=O 1857646269 HGBDKMZUMDRMLX-DFXYEROKSA-N 427.482 3.467 5 1 IGBF COC(=O)c1ccc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2c1OC 587079419 JTZUFGJALYSNGL-UHFFFAOYSA-N 446.807 3.128 5 1 IGBF NC(=O)c1cc(N2CCC(c3nc4cncc(Br)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587263145 NIMVFMQMZQFSPP-UHFFFAOYSA-N 445.277 3.112 5 1 IGBF COc1cc(OC)c2c(=O)cc(N3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)oc2c1 653810040 PYGMSVYZGUEQJT-UHFFFAOYSA-N 425.441 3.041 5 1 IGBF COCCNC(=O)c1cc(-c2ccccc2)nn1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 12477360 VDPGLNMYZFWNHD-LJQANCHMSA-N 449.467 3.028 5 3 IGBF Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-] 9425795 HXWRJJXWQGFQID-OHJZQYHNSA-N 447.491 3.484 5 1 IGBF Cc1cc(O)c(-c2csc(N3C(=O)CS[C@@H]3c3cccc([N+](=O)[O-])c3)n2)c(=O)o1 98083757 DIVZOFSPGMOTBM-MRXNPFEDSA-N 431.451 3.464 5 1 IGBF COCCOc1ccc(-c2nc3cc(I)cnc3[nH]2)cc1[N+](=O)[O-] 587264577 GIDQQOHSUKIUOF-UHFFFAOYSA-N 440.197 3.163 5 1 IGBF COC(=O)c1cccc2nc3c([C@@H](O)[C@H](CCCC(C)(C)O)C(=O)OC)cccc3nc12 2356803490 XDMDGJCZKPQKKM-HRAATJIYSA-N 440.496 3.333 5 1 IGBF Cc1noc(C)c1COC[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)Oc1ccccc1 40878714 WDYVKOCNHDQPDO-IBGZPJMESA-O 443.457 3.095 5 1 IGBF CCOC(=O)[C@@H](C(C)=O)[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)c2ccccc2oc1=O 40916525 JHBSZXNSPBPDEC-ZWKOTPCHSA-N 425.393 3.307 5 1 IGBF CCCc1cc(=O)oc2c3c(cc(OCCN4CCOCC4)c12)O[C@H]([N+](=O)[O-])[C@H]3C(C)C 169343009 WSMYYQBNGCAMGH-CVDCTZTESA-N 446.500 3.191 5 1 IGBF CCCC[C@H](O[P@@H](=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 26568436 PPHMVRBCABAKLJ-HOTGVXAUSA-N 429.410 3.022 5 1 IGBF CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccc([N+](=O)[O-])o4)C[C@@H]3C2)cc1 1857643310 SBALBRDSFYHTGK-IYBDPMFKSA-N 433.530 3.238 5 1 IGBF CCC(=O)N1CCC(n2c(=O)cnc3cnc4cc(F)c(-c5ccc(N)nc5)cc4c32)CC1 1772642163 WHPPIRVLJDYWCN-UHFFFAOYSA-N 446.486 3.302 5 1 IGBF NC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084547 GZQLARZOPNXWKG-INIZCTEOSA-N 442.522 3.235 5 1 IGBF C[C@]1(CN2CCc3nc(-c4ccc(F)cc4F)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857602011 HSQVMYDIXRNUOJ-NRFANRHFSA-N 427.411 3.341 5 1 IGBF Cc1cc2cc3nc(cc4cc(C)c(cc5nc(cc1[nH]2)C(=O)[C@]5(C)O)[nH]4)C(=O)[C@]3(C)O 40394902 KDTTYUOOJRPMSG-DNQXCXABSA-N 430.464 3.112 5 1 IGBF biogenic COc1ccc(-c2nn3c(-c4cc(OC)c(OC)c(OC)c4)nnc3s2)cc1[N+](=O)[O-] 1857628943 MLSPLRZOFKFFQM-UHFFFAOYSA-N 443.441 3.462 5 1 IGBF CC(=O)NCCn1nc2c3ccccc3sc3c(NCCN4CCOC4=O)ccc1c32 29335500 OGPXOMSMGRGFBV-UHFFFAOYSA-N 437.525 3.404 5 1 IGBF COc1ccc2c(c1OC)C[N@@+]1(CCCC(=O)O)CCc3cc4c(cc3[C@@H]1C2)OCO4 1857548458 KWQBZMUQOCKZSF-UQBPGWFLSA-O 426.489 3.468 5 1 IGBF Nc1ccccc1-c1nnc(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)s1 1857647270 GEKSHZPJQQOTLH-UHFFFAOYSA-N 427.471 3.303 5 1 IGBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)nc2[nH]1 587264927 QGCZWPOPQIOEAE-WPPNPWJKSA-N 437.210 3.071 5 1 IGBF CCN(C)c1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2cccc([N+](=O)[O-])c2)n1 82135512 IXSSMZXBBRHQCK-UHFFFAOYSA-N 435.440 3.167 5 1 IGBF O=C(O)c1ccc2oc3ccc(OC[C@H](O)C[S@@](=O)c4ccccc4)cc3c(=O)c2c1 169321999 VFDGWHUZPBDUHJ-PBNKOMEISA-N 438.457 3.192 5 1 IGBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)ncc2[nH]1 587263833 GFWYWKQTTPEAKP-UOWDBTKRSA-N 426.311 3.327 5 1 IGBF C[C@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587747892 SRRQSQLRFIUCED-KFBBLWNVSA-N 429.286 3.341 5 1 IGBF CN(C)CCCNC(=O)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 96939876 UTRPXRGUGHGDFL-UHFFFAOYSA-N 442.428 3.135 5 1 IGBF COc1ccc(C(=O)NCCCCN2CCc3ccc([N+](=O)[O-])cc3C2)c(OC)c1OC 73197902 XFAYVRCYAYPGHT-UHFFFAOYSA-N 443.500 3.189 5 1 IGBF CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)CC1 150554750 SSFYZLAWGOFAOC-UHFFFAOYSA-N 439.468 3.173 5 1 IGBF COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1NCc1ccc(OC)cc1 653689462 ZBKDKWJVGQKOCK-UHFFFAOYSA-N 449.463 3.472 5 1 IGBF C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Br)cc1 26380115 JCSOANSPQZJVHX-LLVKDONJSA-N 443.275 3.021 5 1 IGBF CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCC(C)(C)N(C)C 82082487 PTQYKSFQSWQTBF-QGZVFWFLSA-N 448.545 3.356 5 1 IGBF CCN(CC)S(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2c1 587261524 CVJJWTHRVAYXQV-UHFFFAOYSA-N 434.474 3.089 5 1 IGBF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)CC2)cc1 586954686 NGPBLEWYOHBJDZ-UHFFFAOYSA-N 445.457 3.256 5 1 IGBF O=C(O)c1cccc2nc3c4c(ccc3nc12)[C@@H]1c2nc3c(O)cccc3nc2C[C@@H]4[C@H]1O 1772644315 JPMKFWGOMOITLB-WSONZKGWSA-N 436.427 3.276 5 1 IGBF CC(=O)O[C@H]1Cc2cc3c(cc2[C@H]2[C@@]1(C)c1ccc4c(c1C[N@@+]2(C)[O-])OCO4)OCO3 1857751508 YZDSMLBGBZGKRC-TWDDROGUSA-N 425.437 3.089 5 1 IGBF COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC 772647 YCQUFYBZRZJEKD-IEBWSBKVSA-N 433.848 3.445 5 1 IGBF COc1cc(CNc2ncc([N+](=O)[O-])c(NCC3CCC(CN)CC3)n2)cc(OC)c1 28898602 WCFVFQFDUILXMN-UHFFFAOYSA-N 430.509 3.191 5 1 IGBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(Cl)c(Br)cnc3[nH]2)cc1 586920814 ZDDMAFGXFKRIQM-UHFFFAOYSA-N 431.655 3.256 5 1 IGBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2nc(Br)c[nH]c-2n1 587263470 MYLXBTYAKSZQSR-MRVPVSSYSA-N 436.222 3.326 5 1 IGBF CCOC(=O)C1=C(C)NC(=N)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 64540341 NWLOQTPVCCYYJJ-OAQYLSRUSA-N 446.467 3.453 5 1 IGBF Cc1cc2c(cc1O)[C@@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1F)N[C@H](C(=O)O)C2 963508605 KQKOGZLEPRXTMF-NZQKXSOJSA-N 437.427 3.221 5 1 IGBF CCOc1ccc(-c2nn(C(=O)c3n[nH]cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC 587669774 OYFJTLIFHOZTOT-UHFFFAOYSA-N 449.423 3.181 5 1 IGBF CCOC(=O)C1=C(Cn2ccnc2)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 169726930 IEITXLTZEVWICD-OALUTQOASA-N 440.456 3.046 5 1 IGBF CCCCNS(=O)(=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 587266001 YXCOEOUQUKFYHG-UHFFFAOYSA-N 433.446 3.049 5 1 IGBF CCN(CC)CC(=O)N[C@H]1Cc2c(cc(OC)c3c(=O)c4ccccc4oc23)OC1(C)C 28705868 KSEKLLZKYDCRDM-FQEVSTJZSA-N 438.524 3.495 5 1 IGBF Cc1ccccc1-n1nnc(C)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 84670543 GZESGQLIMQMJPB-UHFFFAOYSA-N 440.891 3.408 5 1 IGBF COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2 95607703 HBJJOFXBBJNZHP-CALCHBBNSA-N 438.528 3.264 5 1 IGBF NC(=O)c1cc(N2CCC(c3nc4cc(-n5cccn5)c(F)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262721 FGOFCXKFXVJOBN-UHFFFAOYSA-N 449.446 3.279 5 1 IGBF CCCCc1ccc(C(=O)N2C[C@@H]3C[C@H]2[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)N32)cc1 28460009 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N=C(N)SCCCn1c(=O)c2n3ccc4cccc(c43)c3cc4ccccc4n3c=2c1=O 40422218 RUTCIZOQGCWURK-UHFFFAOYSA-N 441.516 3.200 5 1 IGBF COc1ccc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)cc1[N+](=O)[O-] 28825553 LDDGTLIEMJSGTI-MRXNPFEDSA-N 429.429 3.327 5 1 IGBF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O 587389635 MFLRVAPRLRHRIK-GTNSWQLSSA-N 430.413 3.443 5 1 IGBF CCOC(=O)C1=C(Cn2ccnc2)N=C(C)[C@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 169726932 IEITXLTZEVWICD-RBUKOAKNSA-N 440.456 3.046 5 1 IGBF O=[N+]([O-])c1cncc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 587171489 QHRDVUQWHRBPHP-QGZVFWFLSA-N 427.417 3.073 5 1 IGBF C[C@H]1O[C@H]2C[C@@](O)([C@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 2356739420 ZMLLDRWWCOURCP-IRLPXTQISA-N 439.471 3.473 5 1 IGBF COCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1cccc([N+](=O)[O-])c1 82136143 NOAYKTZUEKELHG-UHFFFAOYSA-N 435.484 3.391 5 1 IGBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N1CCOCC1 4215604 LGZIFHROYYNUIO-PMACEKPBSA-N 433.461 3.196 5 1 IGBF CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4ccccc34)C(=O)N21 28462653 YBKVFRWWSSDFHO-UYHISHBKSA-N 438.440 3.277 5 1 IGBF O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085205 ZETZRWRDJWOWOP-KRWDZBQOSA-N 426.454 3.232 5 1 IGBF COc1ccccc1N1CCN(CCn2cnc3c(cnc4cc(C)ccc43)c2=O)CC1 72108677 YWUAYMAGUKRJCN-UHFFFAOYSA-N 429.524 3.084 5 1 IGBF CN(C)CCCCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085549 HWOHAQGFWGJMTP-SFHVURJKSA-N 446.529 3.208 5 1 IGBF C[C@@]1(COCc2ccc(OCc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2[S@@]1=O 1857646271 HGBDKMZUMDRMLX-JRPXNJEYSA-N 427.482 3.467 5 1 IGBF CCCn1cc(-c2cnc3ccc4ccc(NS(=O)(=O)N(C)C)cc4c(=O)c3c2)cn1 72109311 BKFQRCFTERBBKR-UHFFFAOYSA-N 437.525 3.240 5 1 IGBF COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82134572 BPXYRFFHJIQDHY-HOTGVXAUSA-N 427.505 3.300 5 1 IGBF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149616 AXWAUVCDTXDHRO-HOTGVXAUSA-N 425.489 3.007 5 1 IGBF COC(=O)c1nnn(-c2c(-c3ccc(F)cc3)[nH]c3cc([N+](=O)[O-])ccc23)c1C(=O)OC 587646014 QHBDDJDRKZBQCP-UHFFFAOYSA-N 439.359 3.036 5 1 IGBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2nn(C)cc2[N+](=O)[O-])N1 587750843 JWFIUVOHDNWDFB-JSLIUPLYSA-N 438.301 3.083 5 1 IGBF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@@H]2C(=O)OCCc1ccc([N+](=O)[O-])cc1 29205089 XFDVAPZJHKZTNE-CLAROIROSA-N 438.480 3.389 5 1 IGBF CCOC(=O)CNC(=O)[C@H]1[C@@H](c2ccc(Cl)nc2)[C@@H]2CC[C@H]1[N+]2(C)Cc1ccccc1 40496478 HIBNEWHCBIJYJJ-ZRXWUQAVSA-O 442.967 3.306 5 1 IGBF COc1ccccc1N1CCN(CCCn2cnc3c(cnc4ccccc43)c2=O)CC1 72106387 HTXGGNLNUCDDLS-UHFFFAOYSA-N 429.524 3.166 5 1 IGBF O=C([C@H]1CCCCN1c1ccc([N+](=O)[O-])c2ccccc12)N1CCN(c2ncccn2)CC1 45229832 RPTWFQIPPPIVQG-JOCHJYFZSA-N 446.511 3.246 5 1 IGBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N1CCOCC1 4215599 LGZIFHROYYNUIO-WOJBJXKFSA-N 433.461 3.196 5 1 IGBF CCCCNS(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2c1 587262275 PIQHQQINGCTNAZ-UHFFFAOYSA-N 434.474 3.137 5 1 IGBF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O 587434633 XJNOOIFRGGJHTM-JTBRIISXSA-N 443.408 3.343 5 1 IGBF CCOC(=O)C1CCN(c2ncnc(Oc3ccc(CCC(C)=O)cc3)c2[N+](=O)[O-])CC1 34208050 TWNLUCSCGWJPQM-UHFFFAOYSA-N 442.472 3.478 5 1 IGBF COc1cccc(N2CCN(CCCn3cnc4c(cnc5ccccc54)c3=O)CC2)c1 72105493 IXDKZRFOSCVXJI-UHFFFAOYSA-N 429.524 3.166 5 1 IGBF C[C@]1(CN2CCc3nc(-c4cccc(F)c4F)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857594744 YDGZZPYKDFHBLV-NRFANRHFSA-N 427.411 3.341 5 1 IGBF NC(=O)c1cc(N2CCC(c3nc4ccc(Br)nc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262628 DMVQRFUCNRYDHK-UHFFFAOYSA-N 445.277 3.112 5 1 IGBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(Br)c2[nH]1 587263853 GSLYFTYLVKGALP-JVXZTZIISA-N 437.210 3.071 5 1 IGBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3cccn3)c2c1 587620460 CGJVEEITBQEFLL-UHFFFAOYSA-N 427.442 3.380 5 1 IGBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 586920173 NLUYMBYGDXYXAX-UHFFFAOYSA-N 431.655 3.256 5 1 IGBF O=C(CNC(=O)OCc1ccccc1)NCc1nc2c3cccnc3c3ncccc3c2[nH]1 587227834 ZXDPGMCAKZVCCN-UHFFFAOYSA-N 440.463 3.202 5 1 IGBF O=C1c2ccc(O)cc2O[C@@](c2ccc([N+](=O)[O-])cc2)(C(O)O)[C@H]1c1ccc(F)cc1 587343449 SZCMXMSHGMEBPE-SIKLNZKXSA-N 425.368 3.005 5 1 IGBF CN(C)S(=O)(=O)c1cccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 587109397 ISSHJFZNYMEGQF-UHFFFAOYSA-N 428.392 3.331 5 1 IGBF COc1ccc(CCNC(=O)c2cccn3c(=O)c4cc(Cl)ccc4nc23)cc1OC 2957362 ZVUJRORYKVBGAU-UHFFFAOYSA-N 437.883 3.491 5 1 IGBF Cc1onc(-c2nc3nc(Br)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079982 QAWSVQNMPWTENF-UHFFFAOYSA-N 438.629 3.490 5 1 IGBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3CCOCC3)c2c1 587620292 BMAQARDZTKBCGU-UHFFFAOYSA-N 446.485 3.031 5 1 IGBF CCCN(Cc1ccc([N+](=O)[O-])cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40918119 CHQNQAYCCIARGE-OAQYLSRUSA-N 431.443 3.265 5 1 IGBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587261954 FJGSCCHEWDJPJK-JTQLQIEISA-N 435.414 3.069 5 1 IGBF Cc1nnn(-c2ccccc2)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 84758566 QCALZDZQKXORIQ-UHFFFAOYSA-N 426.864 3.100 5 1 IGBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)ncc2[nH]1 587263831 GFWYWKQTTPEAKP-JKYUHCHBSA-N 426.311 3.327 5 1 IGBF O=C(NCCCn1cnc([N+](=O)[O-])n1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 84690076 VFEMRBPYFBTURV-UHFFFAOYSA-N 426.277 3.436 5 1 IGBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCC(C)(C)CO 4216597 HXFJONCCKQBSTG-VQTJNVASSA-N 449.504 3.472 5 1 IGBF CNC1=NC(=O)[C@H]([C@H](C)c2cn(C(=O)OCC(C)(C)[N+](C)(C)C)c3ccccc23)S1 169320545 IRGFSVOFULQTKT-KDOFPFPSSA-O 431.582 3.432 5 1 IGBF O=C(Cc1ccccc1[N+](=O)[O-])NCCC1CCN(C[C@@H]2COc3ccccc3O2)CC1 13813608 GPSUKPDJVAFHNV-HXUWFJFHSA-N 439.512 3.196 5 1 IGBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OCCCO)cc3)cc1)C2 45287176 CDGSOJNDGPYECV-FQEVSTJZSA-N 425.441 3.197 5 1 IGBF CC1(C)C=Cc2c(cc3oc4c(O)c5c(cc4c(=O)c3c2O)[C@@H](O)[C@@H](O)C(C)(C)O5)O1 13382569 BWECSBFMOODIDP-DYESRHJHSA-N 426.421 3.107 5 1 IGBF biogenic COc1cc(O)c2c(=O)c3cc(N)c(N4CCN(c5ccccc5)CC4)cc3n(C)c2c1 40950311 YKOPRSJFJDKETD-UHFFFAOYSA-N 430.508 3.315 5 1 IGBF CS(=O)(=O)c1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc([N+](=O)[O-])c1Cl 586924590 CRIGSVFIYLJGEB-UHFFFAOYSA-N 441.765 3.011 5 1 IGBF CC(=O)O[C@H]1Cc2cc3c(cc2[C@@H]2[C@@]1(C)c1ccc4c(c1C[N@@+]2(C)[O-])OCO4)OCO3 1857752887 YZDSMLBGBZGKRC-KELGSRBJSA-N 425.437 3.089 5 1 IGBF C[C@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](CC(=O)O)[C@H]1C[N+](=O)[O-] 587747897 SRRQSQLRFIUCED-XHEFZYDOSA-N 429.286 3.341 5 1 IGBF COC(=O)c1ccccc1N=c1nc2nc3ccccc3c(O)n2cc1Br 2356341972 BIIFNGOQVBVJES-UHFFFAOYSA-N 425.242 3.370 5 1 IGBF COc1ccc(S(=O)(=O)Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 586920623 OBSPOPYUPJRJPI-UHFFFAOYSA-N 426.248 3.216 5 1 IGBF CC1=C(c2ccc3nc([C@H](C)Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)NNC(=O)C1 587266273 XZUUXGDVZXQBNY-NSHDSACASA-N 437.416 3.308 5 1 IGBF CCO/C(O)=C1\C(Cn2ccnc2)=NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1[N+](=O)[O-] 27724648 HFMWTQFJLZZYPQ-LDSGZGKSSA-N 426.429 3.283 5 1 IGBF COc1ccc2c(c1)[nH]c1c2c2c(c3c4cccc5c4n(c13)C[C@@H](CO)C5)C(=O)NC2=O 14945608 RQYXMLGQWRVIDF-NSHDSACASA-N 425.444 3.486 5 1 IGBF CCCCOCCCNC(=O)CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085611 SRJDUNSOLBAPBW-UHFFFAOYSA-N 434.518 3.113 5 1 IGBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587264293 KZKNCJXNICAKKV-VPROBKIXSA-N 429.286 3.470 5 1 IGBF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 587275289 BEHGQLRBOZTDFQ-GFCCVEGCSA-N 442.457 3.086 5 1 IGBF COc1ccc(NS(=O)(=O)c2ccc3c(c2)c2cc([N+](=O)[O-])ccc2n3C)c(OC)n1 1772571570 WCQFQPNPXZYHMO-UHFFFAOYSA-N 442.453 3.453 5 1 IGBF CC(C)(C)C(=O)N1Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2C1 1857651341 IIZLVMINTQMZOR-UHFFFAOYSA-N 426.429 3.321 5 1 IGBF O=C(O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576424 OOUCLGWEXOPNJU-SIKLNZKXSA-N 437.360 3.467 5 1 IGBF O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc([N@+]3([O-])C=CC=N3)cc2)c2cccnc12 1857756622 CNXZHDYLGXXFAH-HUOGWEQVSA-N 431.496 3.436 5 1 IGBF CC(C)CN(C[C@@H](O)CNc1cccc2[nH]ccc12)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 299832619 QDKYQZKDNKTMFV-KRWDZBQOSA-N 446.529 3.196 5 1 IGBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cnc2[nH]1 587264335 LRTWTFKSASMSEV-WPPNPWJKSA-N 437.210 3.071 5 1 IGBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Br)cnc(Br)c2[nH]1 587277153 PUOIKPQUWPZNLE-ZCFIWIBFSA-N 430.060 3.391 5 1 IGBF CC(=O)NCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135466 HWSGBZJBBPFTEY-UHFFFAOYSA-N 440.504 3.005 5 1 IGBF CCOC(=O)CNC(=O)[C@@H]1[C@@H](c2ccc(Cl)nc2)[C@@H]2CC[C@@H]1[N+]2(C)Cc1ccccc1 100046379 HIBNEWHCBIJYJJ-JOZDNTJRSA-O 442.967 3.306 5 1 IGBF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82148282 OBQRBXRKKBZJDW-HOTGVXAUSA-N 425.489 3.007 5 1 IGBF CC(=O)N1N=C(c2ccc(I)cc2)O[C@@H]1c1ccc([N+](=O)[O-])o1 96913462 LZKNODJQNWYWNY-CQSZACIVSA-N 427.154 3.032 5 1 IGBF N[C@H](Cc1ccc(I)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587183999 NGGDZOWSWFWKBF-LLVKDONJSA-N 426.189 3.457 5 1 IGBF C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Br)cc1 13840007 KZKXFKBXZRTLQQ-NSHDSACASA-N 443.275 3.021 5 1 IGBF CS(=O)(=O)c1cc(-c2nc3c(F)cnc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl 586926405 PAPHYDWDLUPIFH-UHFFFAOYSA-N 449.645 3.492 5 1 IGBF Cc1nnc2n1-c1ccc(NC(=O)C3CCN(Cc4ccccc4[N+](=O)[O-])CC3)cc1CC2 40409838 PKQMDDVYTLVYJY-UHFFFAOYSA-N 446.511 3.433 5 1 IGBF COCCNC(=O)c1cc(-c2ccccc2)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 12477355 VDPGLNMYZFWNHD-IBGZPJMESA-N 449.467 3.028 5 3 IGBF CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(C)NCCc2c1c(C(C)C)nn2C 962917936 MJKWCVHKPHNFEP-HRAATJIYSA-N 429.477 3.169 5 1 IGBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(Br)c2[nH]1 587263854 GSLYFTYLVKGALP-KRTXAFLBSA-N 437.210 3.071 5 1 IGBF Cc1nn(Cc2ccccc2-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267559 NAYWQURGGKNKAS-UHFFFAOYSA-N 425.470 3.403 5 1 IGBF COC(=O)c1cc(Br)c2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc2c1 587270563 VOEHOMQBKSVQJV-UHFFFAOYSA-N 443.217 3.268 5 1 IGBF C[C@@]1(COCc2ccc(Oc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2S1(=O)=O 1772623788 XTCFVHGQBASZSO-FQEVSTJZSA-N 429.454 3.346 5 1 IGBF Cc1c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980029 NHTVBOQUWLLYIP-UHFFFAOYSA-N 439.291 3.459 5 1 IGBF O=C(CCn1ccc([N+](=O)[O-])n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657296 UAGGUGNRPAZKDV-UHFFFAOYSA-N 425.351 3.177 5 1 IGBF CSc1ccc(S(=O)(=O)NCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1[N+](=O)[O-] 586941113 NLXUIOLRHOOSFE-UHFFFAOYSA-N 447.420 3.085 5 1 IGBF NC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084615 LKCLASVSIDFGRV-OAHLLOKOSA-N 442.522 3.235 5 1 IGBF O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OCCN1CCNCC1 95584935 WXIJBIQZTIHJQK-UHFFFAOYSA-N 439.299 3.438 5 1 IGBF O=[N+]([O-])c1cccc([C@H]2C[C@@H]3[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4C3CC3)[C@@H](O6)[C@H]2O)c1 26833545 HEMSOMFJCRMPBM-NVSPUQMWSA-N 434.492 3.257 5 1 IGBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN(C)c1ccc([N+](=O)[O-])c2nonc12 587872514 ZFUINMLIJRRZCU-UHFFFAOYSA-N 440.391 3.309 5 1 IGBF O=C(CO[N+](=O)[O-])N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 653727872 CSUQCYSHGQYVPS-INIZCTEOSA-N 449.217 3.243 5 1 IGBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656123 FUKZPIUFQQMRLV-LBPRGKRZSA-N 439.378 3.423 5 1 IGBF COCCNC(=O)c1ccc(NCc2ccncc2)c2c(O)c3cccc(OC)c3nc12 299860795 HDEQODLNOWQYRX-UHFFFAOYSA-N 432.480 3.486 5 1 IGBF CN(C)C[C@H](O)Cn1c2ccccc2c2c3c(c4c5ccccc5n(C)c4c21)C(=O)NC3=O 14944039 QSOFUTFSQFZCHZ-AWEZNQCLSA-N 440.503 3.246 5 1 IGBF O=C(NCc1ccco1)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 13478413 NHYQBKKEJXZFIW-QPPBQGQZSA-N 446.463 3.109 5 3 IGBF COC(=O)c1cc(Cl)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 587263789 DVSIXSQWBHMUNX-AYVTZFPOSA-N 449.807 3.353 5 1 IGBF CC1(C)C=Cc2c(cc3oc4c(O)c5c(cc4c(=O)c3c2O)[C@@H](O)[C@H](O)C(C)(C)O5)O1 13382570 BWECSBFMOODIDP-UTKZUKDTSA-N 426.421 3.107 5 1 IGBF biogenic C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 82148118 BOUVTUWREKNRTD-DNVCBOLYSA-N 425.489 3.197 5 1 IGBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)ncc2[nH]1 587265533 VTHBIKIIAXYGIN-UOWDBTKRSA-N 437.210 3.071 5 1 IGBF Cc1cc2c(cc1O)[C@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1F)N[C@H](C(=O)O)C2 963508608 KQKOGZLEPRXTMF-REWPJTCUSA-N 437.427 3.221 5 1 IGBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cnc2[nH]1 587265856 XSNKIPPONNFQDL-UHLUBPPHSA-N 426.311 3.327 5 1 IGBF Cc1cc(C)n(C[C@@]2(c3cccc([N+](=O)[O-])c3)NC[C@H]3CC(=O)N(C)c4cccc2c43)n1 963034197 QURDFVNEJUDQCS-OSPHWJPCSA-N 431.496 3.405 5 1 IGBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587261955 FJGSCCHEWDJPJK-SNVBAGLBSA-N 435.414 3.069 5 1 IGBF N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 28250585 IOYRBKHINZZFQR-UHFFFAOYSA-N 444.448 3.089 5 1 IGBF CN1CCN(c2ccc3nc(C4CCN(C(=O)c5ccc([N+](=O)[O-])cc5)CC4)[nH]c3c2)CC1 587269541 DMYCTDUUPPMEQK-UHFFFAOYSA-N 448.527 3.243 5 1 IGBF CC(C)[C@@]1(n2cc(-c3cc([N+](=O)[O-])ccc3O)nn2)Oc2cc3oc(=O)ccc3cc2C1=O 473084322 GIUFHJVWYOTYET-JOCHJYFZSA-N 448.391 3.249 5 1 IGBF O=C(Nn1c(-c2cccc([N+](=O)[O-])c2)nc2c(-c3ccco3)n[nH]c2c1=O)c1ccccc1 49033436 IXZLNKOTEGXSGZ-UHFFFAOYSA-N 442.391 3.339 5 1 IGBF COc1cc2c(=O)n(CCn3ccnc3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 29045005 APDXFXXOVBLTHB-UHFFFAOYSA-N 444.447 3.346 5 1 IGBF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc(OCCCC(=O)O)ccc1[N+](=O)[O-] 963614691 YSYDWGSFXKWLKO-MCMMXHMISA-N 430.457 3.479 5 1 IGBF Cc1onc(-c2nc3c(Br)nccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080808 YMDWTUQOHRTGSN-UHFFFAOYSA-N 438.629 3.490 5 1 IGBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(Br)c2[nH]1 587263852 GSLYFTYLVKGALP-JMCQJSRRSA-N 437.210 3.071 5 1 IGBF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O 587434636 XJNOOIFRGGJHTM-RLNQDPLASA-N 443.408 3.343 5 1 IGBF COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC 772649 YCQUFYBZRZJEKD-MJGOQNOKSA-N 433.848 3.445 5 1 IGBF CC(C)(C)OC(=O)N1CC(NC(=O)c2cccn3c(=O)c4cc5ccccc5cc4nc23)C1 169349305 NYZGVKORMKPUQU-UHFFFAOYSA-N 444.491 3.350 5 1 IGBF C[C@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587747899 SRRQSQLRFIUCED-ZZNPWDFOSA-N 429.286 3.341 5 1 IGBF CCOC(=O)Cc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 587266390 LGOPVYAFXXGSDK-JEOXALJRSA-N 443.416 3.019 5 1 IGBF C[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587744583 HILWFCVRNHEXQA-RTXQMZHVSA-N 429.286 3.341 5 1 IGBF CNc1ccc([C@]2(c3ccccc3C(=O)O)NCCc3c(C(=O)O)cccc32)cc1[N+](=O)[O-] 963123413 OXUOJCRWMNOZPM-DEOSSOPVSA-N 447.447 3.471 5 1 IGBF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)[C@@H](OC(=O)c1ccccc1)C2 100646675 XFDVAPZJHKZTNE-MYGLTJDJSA-N 438.480 3.389 5 1 IGBF COc1nn(CC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1[N+](=O)[O-] 587863074 QBJWTNZPEWMHAP-UHFFFAOYSA-N 425.323 3.031 5 1 IGBF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(COC(=O)c3ccc4ccc5ccccc5c4c3)S[C@H]12 26261043 ISVNOPDHAFLBFT-VCZCTPPBSA-N 449.484 3.358 5 1 IGBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Br)cnc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] 587266169 YTYQGWBDBLCWEN-CSMHCCOUSA-N 446.099 3.143 5 1 IGBF O=C(O)c1ccc2oc3ccc(OC[C@H](O)C[S@](=O)c4ccccc4)cc3c(=O)c2c1 169322004 VFDGWHUZPBDUHJ-IWAYBZMOSA-N 438.457 3.192 5 1 IGBF CC1(C)C=Cc2c(cc3oc4c5c(c(O)cc4c(=O)c3c2O)O[C@@H](C(C)(C)O)[C@H]5O)O1 13382727 OHRIQNJHLMZPSG-GHTZIAJQSA-N 426.421 3.107 5 1 IGBF biogenic COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C 13648570 KXIKZCTVXBQIAI-RBUKOAKNSA-N 428.461 3.026 5 1 IGBF Cc1cc(=O)c2c(O)cc(OCc3ccc([N+](=O)[O-])cc3)c([C@H]3CCN(C)C[C@H]3O)c2o1 1772614319 RNTUXHZJZYSNIE-QFBILLFUSA-N 440.452 3.074 5 1 IGBF CC[C@H](C)C(=O)N1CCc2cc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc2C1 1857767363 SDSHCGUZVRKPIG-AWEZNQCLSA-N 440.456 3.364 5 1 IGBF CS(=O)(=O)c1cc(-c2nc3c(Br)ccnc3[nH]2)cc([N+](=O)[O-])c1Cl 586925933 KVZZFRCTEHBINX-UHFFFAOYSA-N 431.655 3.353 5 1 IGBF COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H]([C@](C)(O)COC(C)=O)O2 45495010 STIQDYIDNKKRHH-ATIYNZHBSA-N 447.487 3.471 5 1 IGBF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(=O)oc2nc2c(OC)cccc12 40846423 SELXPINHMIMXKS-UHFFFAOYSA-N 441.465 3.474 5 1 IGBF CC(C)CN(C[C@@H](O)COc1cccc2[nH]ccc12)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 299827000 FKTANSDGXLNRNU-QGZVFWFLSA-N 447.513 3.163 5 1 IGBF CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCCCN(C)C 82082491 FNDVJVYROOMGIL-GOSISDBHSA-N 448.545 3.358 5 1 IGBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587263521 BHLABWSWHOXZLZ-KWKYVRJSSA-N 436.768 3.475 5 1 IGBF CCOC(=O)C1CCN(c2ncnc(Oc3ccc(CCOC)cc3)c2[N+](=O)[O-])CC1 38428522 GJUSDIURHMNIAE-UHFFFAOYSA-N 430.461 3.146 5 1 IGBF Cc1noc(C)c1COC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)Oc1ccccc1 40878718 WDYVKOCNHDQPDO-LJQANCHMSA-O 443.457 3.095 5 1 IGBF CN(C(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1 82214845 HZEGBBDXHQPDOB-UHFFFAOYSA-N 425.489 3.293 5 1 IGBF CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccc(I)cc1 653873843 ZWLWGYXTOAVBOO-UHFFFAOYSA-N 434.211 3.363 5 1 IGBF COc1ccccc1N1CCN(CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 205635881 FKSSSJHSNYWMJK-UHFFFAOYSA-N 437.500 3.027 5 1 IGBF COc1c(O)cc2oc3cc(O)c(C/C=C(/C)CO)c(O)c3c(=O)c2c1CCC(C)(C)O 238788068 DBCVWEQXBCKTSQ-XGICHPGQSA-N 444.480 3.256 5 1 IGBF O=C(CCN1CCOCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 96258317 HAYSFYXYOUEPDQ-UHFFFAOYSA-N 441.491 3.143 5 1 IGBF CCOC(=O)CNC(=O)[C@@H]1[C@@H](c2ccc(Cl)nc2)[C@H]2CC[C@H]1[N@@+]2(C)Cc1ccccc1 253644685 HIBNEWHCBIJYJJ-LGUJEVIZSA-O 442.967 3.306 5 1 IGBF CN(Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170053 NCCCFFVNMSUAKQ-UHFFFAOYSA-N 443.254 3.193 5 1 IGBF COc1cc(OCc2nc3cc(I)cnc3[nH]2)ccc1[N+](=O)[O-] 587263391 SNZDZTTZPOBWCA-UHFFFAOYSA-N 426.170 3.058 5 1 IGBF Cc1cc(C)n(C[C@@]2(c3cccc([N+](=O)[O-])c3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)n1 963034199 QURDFVNEJUDQCS-XDHUDOTRSA-N 431.496 3.405 5 1 IGBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587119165 ZNWZCGYIMKOABV-UHFFFAOYSA-N 429.668 3.457 5 1 IGBF NC(=O)c1cc(N2CCC(c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)CC2)ccc1[N+](=O)[O-] 587262915 IATHYTLJVXPWSL-UHFFFAOYSA-N 445.382 3.276 5 1 IGBF CN(C)CCNC(=O)COc1ccc2oc3c(NCCN(C)C)c4ccccc4nc3c2c1 1772618648 QFXQRTKUMBHKHL-UHFFFAOYSA-N 449.555 3.164 5 1 IGBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCC(C)(C)CO 4216601 HXFJONCCKQBSTG-PMACEKPBSA-N 449.504 3.472 5 1 IGBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCOCCO 4213646 YQSWECQUEIXFID-RBUKOAKNSA-N 441.912 3.387 5 1 IGBF O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1[N+](=O)[O-] 586945597 JCSWQDRGFLIELC-UHFFFAOYSA-N 449.426 3.179 5 1 IGBF CCOC(=O)C1=CN[C@@H](C(=O)OCC)[C@@H]1c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-] 1650882 CRRGETQFRZIOJY-ZWKOTPCHSA-N 433.848 3.104 5 1 IGBF CCOC(=O)C1=C(Cn2ccnc2)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 169726929 IEITXLTZEVWICD-MOPGFXCFSA-N 440.456 3.046 5 1 IGBF O=[N+]([O-])c1cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2cc1[N+](=O)[O-] 586969926 QOXXPIBTMDNNQE-UHFFFAOYSA-N 442.369 3.450 5 1 IGBF COc1cc([N+](=O)[O-])c(F)cc1[C@H]1N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962636054 LPCXVOYJRKJJLB-MEDUHNTESA-N 430.310 3.329 5 1 IGBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(CN4CCOCC4)cc3[nH]2)CC1 587270532 LXUSRSNCWKVVOK-UHFFFAOYSA-N 449.511 3.323 5 1 IGBF CCOc1cc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc([N+](=O)[O-])c1O 962964984 KKLSQKGQFYPZHT-BDJLRTHQSA-N 428.775 3.319 5 1 IGBF Cn1ccc2ccc3c4[nH]c5c(CCCNCCO)cccc5c4c4c(c3c21)C(=O)NC4=O 13535153 ZHBAGBACXDDSPH-UHFFFAOYSA-N 440.503 3.364 5 1 IGBF CCn1cc(-c2nnc3sc(-c4cccc([N+](=O)[O-])c4)nn23)c(=O)c2ccc(C)nc21 72180935 IWBSQBHXCWOCIS-UHFFFAOYSA-N 433.453 3.466 5 1 IGBF O=S(=O)(NCCc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(Cl)nc1 586941644 AIGWDAKEQFYTOR-UHFFFAOYSA-N 438.900 3.229 5 1 IGBF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587230097 FHPCXEOFCQMWSV-RYUDHWBXSA-N 425.283 3.270 5 1 IGBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1cnc([N+](=O)[O-])n1 587859967 KHFDPSRGSOQHQB-UHFFFAOYSA-N 425.232 3.486 5 1 IGBF O=C(NN1C(=O)CCC1=O)c1cc2c([nH]c3ccccc32)c(-c2cccc([N+](=O)[O-])c2)n1 1911584544 CISGEDWXLIHABL-UHFFFAOYSA-N 429.392 3.085 5 1 IGBF Cc1nn(Cc2ccccc2-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267504 LGOSMUBOWJMNFP-UHFFFAOYSA-N 427.442 3.246 5 1 IGBF O=C(O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576422 OOUCLGWEXOPNJU-KNQAVFIVSA-N 437.360 3.467 5 1 IGBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(I)cnc(Cl)c2[nH]1 587273039 CXXYBSDTUXKLAP-LURJTMIESA-N 432.609 3.124 5 1 IGBF COc1cc([C@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)ccc1Oc1nn(C)cc1[N+](=O)[O-] 963033099 PLJQSIATFMNRPV-RCDICMHDSA-N 449.467 3.272 5 1 IGBF O=C(O)c1cccc2nc3c4c(ccc3nc12)[C@H]1C2=C(C[C@H]4[C@H]1O)N=C1C=CC=C(O)[C@@H]1N2 2356478991 ZSCZBYPSTUVQGT-ZWMDWYFDSA-N 438.443 3.063 5 1 IGBF COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC)cc1[N+](=O)[O-] 66101629 MVNFEQKKJCGVJE-UHFFFAOYSA-N 433.369 3.117 5 1 IGBF O=c1nc(N2CCN(c3nccs3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 95572794 FICQUNZDIPRLKM-UHFFFAOYSA-N 443.432 3.367 5 1 IGBF COc1cc(OCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1[N+](=O)[O-] 587263574 UXQIYZYABMKJBI-UHFFFAOYSA-N 431.348 3.352 5 1 IGBF CCO/C(O)=C1\C(Cn2ccnc2)=NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 27731980 KOBISGPSVZRIHX-BWVDKLOVSA-N 426.429 3.283 5 1 IGBF O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587227321 KOVRTOHOILRREH-UHFFFAOYSA-N 440.463 3.202 5 1 IGBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)ccnc2[nH]1 587264044 JFSFCTWTDHXAAW-JMCQJSRRSA-N 437.210 3.071 5 1 IGBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1cc(Cl)c([N+](=O)[O-])n1 587868364 LRFOJDJIUDLMFC-UHFFFAOYSA-N 444.757 3.461 5 1 IGBF CNC1=NC(=O)[C@@H]([C@@H](C)c2cn(C(=O)OCC(C)(C)[N+](C)(C)C)c3ccccc23)S1 169320538 IRGFSVOFULQTKT-KBXCAEBGSA-O 431.582 3.432 5 1 IGBF O=[N+]([O-])c1cncc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 587109492 WCXDQDTWKISSRB-LBPRGKRZSA-N 441.391 3.411 5 1 IGBF O=[N+]([O-])c1cncc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 587171488 QHRDVUQWHRBPHP-KRWDZBQOSA-N 427.417 3.073 5 1 IGBF COc1ccccc1OCCNC[C@@H](O)COc1cccc2c(=O)c3ccccc3oc12 1857536789 SZQKXVUPDJQEAD-QGZVFWFLSA-N 435.476 3.363 5 1 IGBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cccc(I)c3[nH]2)cc1 586919581 BTZIGGKWHAZBEX-UHFFFAOYSA-N 443.222 3.050 5 1 IGBF C[C@H](NC(=O)c1sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[n+]1[O-])C(=O)C1CCCC1 653803774 XWYBVEVPHNXNSW-QMMMGPOBSA-N 431.392 3.339 5 1 IGBF CN(Cc1ccccc1)C(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=N 1857644476 RJTLLKPKNLBPFY-UHFFFAOYSA-N 449.514 3.449 5 1 IGBF Cc1ccc(CCNc2ncc(C(=O)N3CCOCC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82135006 LYFVZQFFYMCGDA-UHFFFAOYSA-N 447.495 3.487 5 1 IGBF COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 2480266 SLAFJTPJJOPDDE-UHFFFAOYSA-N 445.403 3.449 5 1 IGBF CN(C)CCOc1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1 586926450 POFGRJYADDKKKO-UHFFFAOYSA-N 438.893 3.135 5 1 IGBF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 963134171 CYQNXLURZFOFPP-IUODEOHRSA-N 449.441 3.116 5 1 IGBF COC(=O)Cc1cc(OC)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1OC 587943553 IHAQTQWNXQMHMX-UHFFFAOYSA-N 431.214 3.328 5 1 IGBF CC[C@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 775683 FJKKGCULQXPPFB-WCQYABFASA-N 433.461 3.413 5 1 IGBF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 587863743 SMLNWAYEJDQHDB-UHFFFAOYSA-N 442.375 3.122 5 1 IGBF Cc1cc(C)c(C(=O)OC[C@@]2(CO)C/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c(C)c1 42878345 HWQUXBQNFOYEOC-ASDHTPKVSA-N 425.437 3.438 5 1 IGBF COCCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc([N+](=O)[O-])cc1 82147877 ZWFNSQQNNRTZIL-UHFFFAOYSA-N 425.445 3.332 5 1 IGBF O=C(O)c1ccc(N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]c2=Nc2ccc(C(=O)O)cc2)cc1 1857539397 YNRVZMDURYNOOJ-UHFFFAOYSA-N 445.391 3.265 5 1 IGBF NCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1 96168020 AZZQPQUJXNMULH-UHFFFAOYSA-N 441.469 3.498 5 1 IGBF O=[N+]([O-])c1ccc2c(c1)N=C1N(c3ccccc3)CC[C@]1(O)[C@@]21NCCc2ccc(O)cc21 963343344 TZEANPRDCLUKKC-JWQCQUIFSA-N 442.475 3.375 5 1 IGBF CN1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1c1ccccc1 40395807 QHJLWYFWLQLCPM-JOCHJYFZSA-N 448.479 3.436 5 1 IGBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCOCCO 4213640 YQSWECQUEIXFID-RTBURBONSA-N 441.912 3.387 5 1 IGBF O=C1c2c(c3c4ccc(O)cc4[nH]c3c3cc4ccccc4cc23)C(=O)N1C(CO)CO 28520258 LSDYKNRZHIQVIM-UHFFFAOYSA-N 426.428 3.282 5 1 IGBF C[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](CC(=O)O)[C@H]1C[N+](=O)[O-] 587744579 HILWFCVRNHEXQA-KKPPZFCASA-N 429.286 3.341 5 1 IGBF C[C@]1(COCc2ccc(OCc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2[S@]1=O 1857646270 HGBDKMZUMDRMLX-IIMAJNMQSA-N 427.482 3.467 5 1 IGBF O=C(O)COc1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576113 MNDSPKPOZAXHSF-UGKGYDQZSA-N 437.360 3.467 5 1 IGBF COc1cc(OC)c2c(=O)cc(N3CCN(Cc4ccccc4[N+](=O)[O-])CC3)oc2c1 653806076 RFXSZHBPXJRMRH-UHFFFAOYSA-N 425.441 3.041 5 1 IGBF CCCc1cc(F)ccc1OC[C@H](O)COc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1 141003358 WODJPDQVDKFZCC-CQSZACIVSA-N 433.388 3.317 5 1 IGBF CC1CCC(NS(=O)(=O)Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1 586953009 POLSIJBVRMXQJU-UHFFFAOYSA-N 431.312 3.232 5 1 IGBF O=C(O)c1ccc(Nc2ncc([N+](=O)[O-])c(NC34C[C@@H]5C[C@@H](CC(O)(C5)C3)C4)n2)cc1 29043595 YLVVCSCPLBFQFV-GWEVUABKSA-N 425.445 3.322 5 1 IGBF CCN(CC)CC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc([N+](=O)[O-])cc1 35034032 AXARBWDOJNOEBI-HSZRJFAPSA-N 427.501 3.428 5 1 IGBF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586950505 YDTIMEYTYZWQSD-UHFFFAOYSA-N 425.264 3.196 5 1 IGBF Cc1cc(=O)oc2c([N+](=O)[O-])c(OS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc12 1772578424 NSOYMAVALQUTEV-UHFFFAOYSA-N 440.773 3.339 5 1 IGBF Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586953459 PASXDIKQYCPVIC-UHFFFAOYSA-N 432.281 3.037 5 1 IGBF COc1cc2nc(/C=C/c3ccc([N+](=O)[O-])cc3)n(CCCN(C)C)c(=O)c2cc1OC 299863010 OJOPEGYAUVOZCH-DHZHZOJOSA-N 438.484 3.444 5 1 IGBF CCc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174568 FGQDVLGYRPPHOF-AWEZNQCLSA-N 438.513 3.439 5 1 IGBF CC1(C)C=Cc2c(cc3oc4c(O)c5c(cc4c(=O)c3c2O)[C@H](O)[C@@H](O)C(C)(C)O5)O1 13382571 BWECSBFMOODIDP-LAUBAEHRSA-N 426.421 3.107 5 1 IGBF biogenic CCN(CC)CC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccc([N+](=O)[O-])c1 35033983 UXECJXRCZCXYTC-QHCPKHFHSA-N 427.501 3.428 5 1 IGBF CCCCOCCCNC(=O)[C@@H](C)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82083036 GAVDHXJTWSPRMA-CQSZACIVSA-N 434.518 3.160 5 1 IGBF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587259478 IIIMCVAYNLVWNR-ZDUSSCGKSA-N 428.405 3.086 5 1 IGBF O=[N+]([O-])c1cncc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 587109491 WCXDQDTWKISSRB-GFCCVEGCSA-N 441.391 3.411 5 1 IGBF CCOC(=O)C1=NO[C@H](c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)cc2)C1 40407681 NFUFTMONVPFNTO-QFIPXVFZSA-N 438.484 3.298 5 1 IGBF NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCC2CC2)c([N+](=O)[O-])c1 13878850 OPIXPPOTBPMVHR-GOSISDBHSA-N 430.892 3.346 5 3 IGBF CN(C)CCCNc1ccc2nnn3c4ccc(OC(=O)c5ccccc5)cc4c(=O)c1c23 5582500 RXAWNUPZPIHOOX-UHFFFAOYSA-N 441.491 3.417 5 1 IGBF O=[N+]([O-])c1cc(/C=C/c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)ccc1Cl 587050466 QNJSMRQFJXIEQS-QHHAFSJGSA-N 448.888 3.316 5 1 IGBF Nc1ncc(-c2nc(N3CCOCC3)c3cccc(Nc4ccc([N+](=O)[O-])cc4)c3n2)cn1 653714739 IHDUMOJPEXKFES-UHFFFAOYSA-N 444.455 3.157 5 1 IGBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1Br)C2 72179121 UPBZLIXJPVSTII-VIFPVBQESA-N 437.172 3.003 5 1 IGBF COC(=O)c1cc(Br)c2[nH]c(COc3ccc([N+](=O)[O-])cc3C=O)nc2c1 587269082 KGQCDJLQGJZEDZ-UHFFFAOYSA-N 434.202 3.412 5 1 IGBF C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCc1ccccn1 82083700 CJSKQZHGFXYOAL-CYBMUJFWSA-N 426.454 3.018 5 1 IGBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCOCCO 4213643 YQSWECQUEIXFID-MOPGFXCFSA-N 441.912 3.387 5 1 IGBF C[C@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587577930 UWGAFPDZWILKEB-MZESBILOSA-N 427.409 3.116 5 1 IGBF Cc1onc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079556 KTNIYOVEVQNLTL-UHFFFAOYSA-N 445.867 3.273 5 1 IGBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc(Br)c2[nH]1 587266111 ZXXMYACBSHKBPQ-CPFSXVBKSA-N 437.210 3.071 5 1 IGBF CCOC(=O)CCOCCCOCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587566591 UXLSGULTLDQWMF-UHFFFAOYSA-N 444.282 3.153 5 1 IGBF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 775111 IDDYFLGBQLQTDH-LLVKDONJSA-N 443.387 3.285 5 1 IGBF O=C(CN1CCCC1)Nc1ccc2oc3ccc(NC(=O)CN4CCCC4)cc3c(=O)c2c1 653790368 CEQIULQALDLMHL-UHFFFAOYSA-N 448.523 3.015 5 1 IGBF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(OCCOC)c([N+](=O)[O-])c3)[nH]c2c1 587266531 ZVISWJILAPBUGA-UHFFFAOYSA-N 448.501 3.194 5 1 IGBF COC(=O)c1nc2cc(Cl)c(Cl)cc2n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 26650736 XRKMKEBQTICXJN-UHFFFAOYSA-N 430.225 3.275 5 1 IGBF CCO/C(O)=C1\C(C)=NC(Cn2ccnc2)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 27720852 VJJCXFXWPUUWGF-KOXKPCSVSA-N 426.429 3.283 5 1 IGBF CN(c1ccc(Cn2c(=O)c3ccccc3c3nc4ccccn4c32)cc1)S(C)(=O)=O 103232330 ZEVDOAUHLQZMTK-UHFFFAOYSA-N 432.505 3.247 5 1 IGBF CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)nc(O)n2Cc1ccccc1 3315922 ZLXXXIQHELMHCG-UHFFFAOYSA-N 446.419 3.297 5 3 IGBF COc1cc(OC)c2c(=O)c3ccc(N4CCN(c5ccccn5)CC4)cc3n(C)c2c1 40428884 VWRQZPWKDHJGPJ-UHFFFAOYSA-N 430.508 3.431 5 1 IGBF COC(=O)[C@]1(Cc2c(C)[nH]c3cc([N+](=O)[O-])ccc23)CN(C(=O)OC(C)(C)C)CCC1=O 587648394 DMUUCTNYAQHTRT-JOCHJYFZSA-N 445.472 3.296 5 1 IGBF COc1nn(CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-] 587661123 MWYQTOLCDOITTE-UHFFFAOYSA-N 437.387 3.046 5 1 IGBF Cc1ccc(CCNc2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82148544 WQFSEVNVWZETRT-UHFFFAOYSA-N 447.495 3.487 5 1 IGBF NCCCNCCCCNCCCNCC(=O)Nc1c2ccccc2cc2ccccc12 169325222 XJMOGUKHDFSOIH-UHFFFAOYSA-N 435.616 3.219 5 1 IGBF CS(=O)(=O)c1cc(-c2nc3cc(Br)cnc3[nH]2)cc([N+](=O)[O-])c1Cl 586927098 SREPAWIUIAHYFV-UHFFFAOYSA-N 431.655 3.353 5 1 IGBF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 82134756 WCWNRSJGOTXFCD-IYBDPMFKSA-N 425.489 3.007 5 1 IGBF Cc1ccc2c(O)c(C(=O)Nc3ccc4c(O)c(C(=O)O)cc([N+](=O)[O-])c4n3)ccc2n1 40394521 YOUQSFVDRFZVNU-UHFFFAOYSA-N 434.364 3.361 5 1 IGBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc12 586943935 JWZLDWSHKOTUIT-UHFFFAOYSA-N 429.483 3.116 5 1 IGBF CCOC(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 587266768 OKTZLTMTIVJXDQ-QGHHPUGFSA-N 429.389 3.090 5 1 IGBF CN(C)/C=C(\n1cc([N+](=O)[O-])cn1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575288 IRHBSXYZNBKACQ-JMZAJFNGSA-N 436.424 3.277 5 1 IGBF COCCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82134574 BPXYRFFHJIQDHY-HZPDHXFCSA-N 427.505 3.300 5 1 IGBF COC(=O)c1cc2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc2cc1OC 587270123 QCPGWYDFFKIUAX-UHFFFAOYSA-N 438.440 3.286 5 1 IGBF C[C@@H]1O[C@H]2C[C@@](O)([C@@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 2356739419 ZMLLDRWWCOURCP-GXEWVHIGSA-N 439.471 3.473 5 1 IGBF COc1c(O)cc2oc3cc(O)c(CC=C(C)CO)c(O)c3c(=O)c2c1CCC(C)(C)O 2356462041 DBCVWEQXBCKTSQ-UHFFFAOYSA-N 444.480 3.256 5 1 IGBF COc1nn([C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-] 587660243 DGGRQGJHNCTZPM-LBPRGKRZSA-N 437.387 3.217 5 1 IGBF O=[N+]([O-])c1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 586951630 RWXKCWZGVAXLIA-UHFFFAOYSA-N 437.275 3.341 5 1 IGBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)nc2[nH]1 587264925 QGCZWPOPQIOEAE-FUXBKTLASA-N 437.210 3.071 5 1 IGBF COc1ccc(NC(=S)NCCOCCN(C)Cc2cccc([N+](=O)[O-])c2)cc1OC 13742426 IIFXEZWTVNGNEY-UHFFFAOYSA-N 448.545 3.047 5 1 IGBF COc1cc2c(=O)n(CCNC3CC3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 43064981 YDGCIOJGKCUDER-UHFFFAOYSA-N 433.464 3.201 5 1 IGBF CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1ccco1 82081934 XCYWKDRYOFTAGX-QGZVFWFLSA-N 428.470 3.382 5 1 IGBF CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)cc(F)c3[nH]2)cc1[N+](=O)[O-] 586940783 FXALSDQRDPEKQT-UHFFFAOYSA-N 430.870 3.464 5 1 IGBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)nn2)c1 587270622 WZSCIIWZXRDCQL-UHFFFAOYSA-N 430.178 3.390 5 1 IGBF CCN(CC)CC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc([N+](=O)[O-])cc1 35034030 AXARBWDOJNOEBI-QHCPKHFHSA-N 427.501 3.428 5 1 IGBF O=C(OCCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 98208484 FAZFNJIOMTWTBS-FQEVSTJZSA-N 432.498 3.314 5 1 IGBF in-vitro CCc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163663 PWMHIVJCGRNXPV-AWEZNQCLSA-N 438.513 3.439 5 1 IGBF Cc1cc(Cc2ccc(F)cc2)c(=O)n(CC(=O)Nc2c(F)cc(F)cc2[N+](=O)[O-])n1 1857604179 PCGBVLCCRMNGKQ-UHFFFAOYSA-N 432.358 3.107 5 1 IGBF CCN(C(=O)COC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1)c1ccccc1C 201471483 SUQOOHSDDXYYEB-UHFFFAOYSA-N 441.469 3.382 5 3 IGBF CC(C)CCNC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 263592154 CTRKQUBNIIMGIZ-URXFXBBRSA-N 436.512 3.362 5 3 IGBF COC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2F)CC1 103245446 MGIKUUFSLQGMOW-RUDMXATFSA-N 428.420 3.274 5 1 IGBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587116953 FTBIZLVUWZYQHR-UHFFFAOYSA-N 448.365 3.102 5 1 IGBF CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])nc2c1 587259352 DDJBOGBLQCBURK-USWWRNFRSA-N 438.278 3.163 5 1 IGBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(Br)cnc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] 587266175 YTYQGWBDBLCWEN-PRJMDXOYSA-N 446.099 3.143 5 1 IGBF O=c1oc2cc(CN3CCN(Cc4ccc(Cl)cc4)CC3)ccc2c(O)c1[N+](=O)[O-] 29236831 LCBFIEXOJLHCMZ-UHFFFAOYSA-N 429.860 3.378 5 1 IGBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587265752 SJCZCAAXMRUFQO-ZDUSSCGKSA-N 425.449 3.304 5 1 IGBF CCCNC(=N)c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1 71281562 CRYSRHDMIZEPLC-UHFFFAOYSA-N 441.517 3.358 5 1 IGBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)nn2)c1 587270109 PYYLOTLIBWINIG-UHFFFAOYSA-N 430.178 3.390 5 1 IGBF COC(=O)c1cccc2nc3c([C@H](O)[C@H](CCCC(C)(C)O)C(=O)OC)cccc3nc12 2356803493 XDMDGJCZKPQKKM-KKSFZXQISA-N 440.496 3.333 5 1 IGBF CCOC(=O)C1=CN=[S@](=O)(c2ccc3oc4ccc(C(=O)O)cc4c(=O)c3c2)C=C1O 169338605 UGOLOPGEMCEONF-WJOKGBTCSA-N 441.417 3.331 5 1 IGBF COc1ccc([C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1Cn1cc([N+](=O)[O-])cn1 963614687 YMUCGZNNVJSABM-LFVRLGFBSA-N 438.484 3.489 5 1 IGBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587263504 AQVGPSMFTXNAPN-KWKYVRJSSA-N 437.315 3.235 5 1 IGBF COCCNC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 82136025 OFOQSEBDHUZNPW-UHFFFAOYSA-N 439.447 3.222 5 1 IGBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587261928 FCKDFMHAXGGGPF-NSHDSACASA-N 433.442 3.226 5 1 IGBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(I)cnc(Cl)c2[nH]1 587267491 LBIKMNKAYAOHFN-ZCFIWIBFSA-N 432.609 3.238 5 1 IGBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(OCCCO)cc3)c1)C2 45258733 RXFSBIMUHCNJBR-FQEVSTJZSA-N 425.441 3.197 5 1 IGBF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 82134630 KBRZEZZMYYWQEK-HNAYVOBHSA-N 425.489 3.197 5 1 IGBF O=[N+]([O-])c1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1[N+](=O)[O-] 587113989 PDVYJIFCEMZREP-UHFFFAOYSA-N 434.294 3.100 5 1 IGBF CCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 13472337 ITAQPDVKHQKIHR-UHFFFAOYSA-N 433.388 3.306 5 1 IGBF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587232076 SLIRUMHNCQZZLU-QWRGUYRKSA-N 425.283 3.270 5 1 IGBF CS(=O)(=O)c1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608807 SWKIGRITYDDAPS-RXVVDRJESA-N 441.417 3.407 5 1 IGBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O 587945338 NCUTULLVLKBYLE-HNNXBMFYSA-N 437.359 3.308 5 1 IGBF NC(=O)[C@@H](Cc1c[nH]cn1)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cc(-c2ccccc2)on1 29559215 PYBXZIZXDPWYJQ-OAQYLSRUSA-N 446.467 3.072 5 1 IGBF O=[N+]([O-])c1nc2n(n1)C[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)CO2 1772632809 KCPFDMGWALUOHK-OAHLLOKOSA-N 437.334 3.125 5 1 IGBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2nc(Br)c[nH]c-2n1 587263471 MYLXBTYAKSZQSR-QMMMGPOBSA-N 436.222 3.326 5 1 IGBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587263524 BHLABWSWHOXZLZ-ZIDLFYJRSA-N 436.768 3.475 5 1 IGBF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)n4cc([N+](=O)[O-])cn4)[nH]c3c2)cc1 587277508 XJGBIQNUVIXLFQ-GFCCVEGCSA-N 442.457 3.086 5 1 IGBF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1 962697683 LUPUVHJKONSHFP-HZPDHXFCSA-N 442.321 3.308 5 1 IGBF CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@]2(C(=O)Oc3ccccc32)[C@@]12C(=O)Nc1ccccc12 1772606503 KTUMEVKINIVDFL-QTLGCAHFSA-N 441.443 3.328 5 1 IGBF CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)N[C@H]1CCCC[C@@H]1O 775525 RJULQPBDDZYMSH-JSGCOSHPSA-N 431.445 3.309 5 1 IGBF C[C@@H]1CCCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cc([N+](=O)[O-])cn2C)C1 27100783 NGIKSNCYQQSGHF-GFCCVEGCSA-N 428.420 3.311 5 1 IGBF Cc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163666 LAYVICKLORYMLO-OAHLLOKOSA-N 438.513 3.494 5 1 IGBF O=C(C1CCC1)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 299864522 RQGKQWKHLVFTHX-UHFFFAOYSA-N 442.419 3.032 5 1 IGBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCCCO3 587266896 QCUSWKPJJSNOEW-YPMLDQLKSA-N 429.389 3.075 5 1 IGBF COc1cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260764 DBMJAHAPMNCSII-UHFFFAOYSA-N 431.348 3.449 5 1 IGBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(Br)cnc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587266157 YTYQGWBDBLCWEN-BWZBUEFSSA-N 446.099 3.143 5 1 IGBF COCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 2483164 QSZUGBSULIEZPL-UHFFFAOYSA-N 429.360 3.161 5 1 IGBF O=C(Nc1ccc(-c2ccnc(C(F)(F)F)c2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 82158912 VNJSRGNBIAKQOG-AWEZNQCLSA-N 448.361 3.455 5 1 IGBF Cc1onc(-c2nc3cnc(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079985 QCYIEPMSIJITPL-UHFFFAOYSA-N 438.629 3.490 5 1 IGBF CN(C)/C=C(\n1cc([N+](=O)[O-])cn1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575290 IRHBSXYZNBKACQ-ZHLHOZIWSA-N 436.424 3.277 5 1 IGBF Cc1c2ccnc(C(=O)NCCCN3CCOCC3)c2cc2c3cc(O)ccc3n(C)c12 26492733 AQMYEFQXRIHTAU-UHFFFAOYSA-N 432.524 3.346 5 1 IGBF C[C@@H]1CCCCN1C(=O)c1ccc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1 101486052 VDPZKOHTKXABQZ-AOIWGVFYSA-N 436.512 3.395 5 1 IGBF O=c1c2cccnc2n(-c2ccc(F)cc2)c(=O)n1-c1nc2ccc([N+](=O)[O-])cc2s1 103237500 HUYUGTFKIZRNMJ-UHFFFAOYSA-N 435.396 3.194 5 1 IGBF COC(=O)C1=CO[C@@H](C)[C@@H]2C[N+]3(C)CCc4c([nH]c5cc(OC)c(OC)cc45)[C@H]3C[C@H]12 238763277 JKAHCWANEVETGT-GLNUIQHMSA-N 427.521 3.341 5 1 IGBF NC(=O)c1cc(N2CCC(c3nc4cc5c(cc4[nH]3)OCCCO5)CC2)ccc1[N+](=O)[O-] 587263601 WLPADHQAEFGEEC-UHFFFAOYSA-N 437.456 3.115 5 1 IGBF CC1(C)C=Cc2c(cc3oc4c(O)c5c(cc4c(=O)c3c2O)[C@H](O)[C@H](O)C(C)(C)O5)O1 13382572 BWECSBFMOODIDP-UWJYYQICSA-N 426.421 3.107 5 1 IGBF biogenic C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(Br)c2[nH]1 587263855 GSLYFTYLVKGALP-MADCSZMMSA-N 437.210 3.071 5 1 IGBF CCOC(=O)c1c(COCCN2C(=O)c3ccccc3C2=O)[nH]c2cccc([N+](=O)[O-])c12 587649082 PESKHNJIPXUUBU-UHFFFAOYSA-N 437.408 3.066 5 1 IGBF CC(C)CCNC(=O)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 263592155 CTRKQUBNIIMGIZ-XUZZJYLKSA-N 436.512 3.362 5 3 IGBF C[C@@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]2CCN(C(=O)OCc3ccccc3)[C@H]12 13443225 UHWIRYWZSDMBED-SOVGHPHASA-N 440.412 3.265 5 1 IGBF NCc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 96168013 DJWVLQVESCSUAY-UHFFFAOYSA-N 441.469 3.498 5 1 IGBF CC[C@@H](C)C(=O)N1CCc2cc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc2C1 1857767364 SDSHCGUZVRKPIG-CQSZACIVSA-N 440.456 3.364 5 1 IGBF Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-] 9425794 HXWRJJXWQGFQID-LAJDLSKKSA-N 447.491 3.484 5 1 IGBF CCN(CC)CCn1[nH]c2c3cc(S(C)(=O)=O)ccc3nc3c([N+](=O)[O-])ccc1c32 27093445 BCLAMIOSDFZGLX-UHFFFAOYSA-N 429.502 3.324 5 1 IGBF COCCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc([N+](=O)[O-])c1 82134338 XZQOURVOYRFYQN-UHFFFAOYSA-N 425.445 3.332 5 1 IGBF C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCc1ccccn1 82083985 LXFHVUIQRRVUOP-ZDUSSCGKSA-N 426.454 3.018 5 1 IGBF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149621 AXWAUVCDTXDHRO-HZPDHXFCSA-N 425.489 3.007 5 1 IGBF COc1cc2c(cc1NCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c12 14969840 JCGJWSWZWHUJDT-UHFFFAOYSA-N 432.528 3.162 5 1 IGBF CC(C)CC(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 299865195 SRGNGWINPQQJEY-UHFFFAOYSA-N 444.435 3.278 5 1 IGBF O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OCCCN2CCOCC2)cc1O 261122013 JSFQEYLHQKILJI-UHFFFAOYSA-N 435.864 3.307 5 1 IGBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NC[C@H](O)CC 4212357 VVSQMMMBWHPYBY-SMHULIPUSA-N 435.477 3.225 5 1 IGBF COc1cc2c3cnc4cc5c(cc4c3c(=O)n(CCCN(C)C)c2cc1OC)OCO5 28393073 BCMILYZNBJHOJZ-UHFFFAOYSA-N 435.480 3.401 5 1 IGBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1N1CCCCC1)C2 72179122 CPRPZSVRTSDWEU-AWEZNQCLSA-N 441.410 3.231 5 1 IGBF NCc1cccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 96168016 FFRHHCMBPWJKDI-UHFFFAOYSA-N 441.469 3.498 5 1 IGBF CN1CCN(c2ccc(Nc3ncc4cc([N+](=O)[O-])c(=O)n(C5CCCC5)c4n3)cc2)CC1 103269223 BSTUABUCKLUHQB-UHFFFAOYSA-N 449.515 3.310 5 1 IGBF COC(=O)c1cc(C(=O)OC)cc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 621476510 LMBVJCRQJOWUQC-UHFFFAOYSA-N 434.360 3.122 5 1 IGBF CCOc1cc(C)nc(NC(=S)NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 28563380 DOPPCIJSZDLDRV-UHFFFAOYSA-N 427.442 3.479 5 1 IGBF COC(=O)c1nnn(-c2c(-c3ccc(F)cc3)[nH]c3cccc([N+](=O)[O-])c23)c1C(=O)OC 587645583 DRRLEKDUFUAXMG-UHFFFAOYSA-N 439.359 3.036 5 1 IGBF COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC 4211397 YCQUFYBZRZJEKD-PKOBYXMFSA-N 433.848 3.445 5 1 IGBF NC(=O)c1cc(N2CCC(c3nc4cc(C(F)(F)F)cnc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262763 FTKSGYXITQDIJR-UHFFFAOYSA-N 434.378 3.368 5 1 IGBF CC(C)(C)C(=O)N1CCc2cc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc2C1 1857767445 NRGFFXFAVYNRBB-UHFFFAOYSA-N 440.456 3.364 5 1 IGBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587263507 AQVGPSMFTXNAPN-ZIDLFYJRSA-N 437.315 3.235 5 1 IGBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N1CCOCC1 4215601 LGZIFHROYYNUIO-UXHICEINSA-N 433.461 3.196 5 1 IGBF O=C(NCc1ccco1)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081154 JUKMPGOBCQOWMB-OAHLLOKOSA-N 440.481 3.480 5 1 IGBF COc1cccc(-c2nc(NCCNc3ccc([N+](=O)[O-])cn3)ncc2-n2ccnc2)c1 1772636794 BSOBLZRBAHKPTI-UHFFFAOYSA-N 432.444 3.165 5 1 IGBF C[C@@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]2CCN(C(=O)OCc3ccccc3)[C@@H]12 29476664 UHWIRYWZSDMBED-IXDGSTSKSA-N 440.412 3.265 5 1 IGBF Cc1onc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079845 OQDKBGBVUCYHEE-UHFFFAOYSA-N 427.808 3.217 5 1 IGBF CCO/C(O)=C1\C(C)=NC(Cn2ccnc2)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 27720845 VJJCXFXWPUUWGF-DTBMRADHSA-N 426.429 3.283 5 1 IGBF CCOC(=O)[C@@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 95594739 QELGEQVUIARCQV-ZHRRBRCNSA-N 444.440 3.296 5 1 IGBF CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc([N+](=O)[O-])c3)cc21 72112963 REOILSAXQCBFEZ-KRWDZBQOSA-N 426.425 3.424 5 1 IGBF COc1cccc2c(O)c3c(NCc4cccnc4)ccc(C(=O)NCCN(C)C)c3nc12 299854566 ABYUJUKELFTOAE-UHFFFAOYSA-N 445.523 3.401 5 1 IGBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587263522 BHLABWSWHOXZLZ-MLXNANBUSA-N 436.768 3.475 5 1 IGBF Cc1cc2c(cc1O)[C@](C)(c1cc(N3CCSCC3)ccc1[N+](=O)[O-])N[C@H](C(=O)O)C2 963528608 UQQTZCDTSSNOBZ-PGRDOPGGSA-N 443.525 3.024 5 1 IGBF CCOC(=O)C1=C(Cn2ccnc2)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 169726931 IEITXLTZEVWICD-RTBURBONSA-N 440.456 3.046 5 1 IGBF COc1ccc(-c2csc(N[C@@H](Cc3c[nH]cn3)C(=O)NCC(C)C)n2)cc1[N+](=O)[O-] 82192169 QKJNEFPGSYSRFG-HNNXBMFYSA-N 444.517 3.245 5 1 IGBF COCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccc([N+](=O)[O-])cc1 82159945 NHROORPQKKXRJG-UHFFFAOYSA-N 435.484 3.391 5 1 IGBF CC1CCN(C(=O)c2ccc(N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N+](=O)[O-])c2)CC1 101665451 XCVIYPBEGLUJEJ-HKUYNNGSSA-N 436.512 3.252 5 1 IGBF CCN(C)C(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc([N+](=O)[O-])c1 82136075 STQRRAHNKNGALL-UHFFFAOYSA-N 435.440 3.485 5 1 IGBF Cc1nc2ccc(Cl)cc2c(=O)n1CC(=O)NCc1nc2ccc([N+](=O)[O-])cc2s1 299833835 ZTCGBPOJFKCMKA-UHFFFAOYSA-N 443.872 3.193 5 1 IGBF C[C@]1(CN2CCc3nc(-c4cc(F)c(F)c(F)c4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857586582 WQGOALGFMSBGSW-NRFANRHFSA-N 445.401 3.480 5 1 IGBF COCCNC(=O)c1ccc(NCc2ccccn2)c2c(O)c3cccc(OC)c3nc12 299858546 DSFOSHZZKGPAEP-UHFFFAOYSA-N 432.480 3.486 5 1 IGBF Cc1cc([N+](=O)[O-])nn1CCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656755 MSKUJWLNVQGMOR-UHFFFAOYSA-N 439.378 3.485 5 1 IGBF O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC/C=C/c1ccc(-c2cccnc2)cc1 1857556756 SVFOWKVYWXWOPH-HWKANZROSA-N 438.509 3.238 5 1 IGBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)nn2)c1 587270170 RFSNKZTXCXOYQQ-UHFFFAOYSA-N 438.347 3.012 5 1 IGBF CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 587609774 VZSGCDCJMQXDBO-WIYYLYMNSA-N 441.417 3.407 5 1 IGBF COc1cc([N+](=O)[O-])c(F)cc1[C@H]1N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962636047 LPCXVOYJRKJJLB-BDJLRTHQSA-N 430.310 3.329 5 1 IGBF COc1cc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2cc1Cl 586941150 OUTLGNRZJHHTBG-UHFFFAOYSA-N 442.906 3.334 5 1 IGBF COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1C[C@H](O)C(C)(C)O 14727637 GRTNCNHXAJFUAQ-SFHVURJKSA-N 444.480 3.255 5 1 IGBF biogenic C[C@](N)(CO)CCc1ccc(OCCCCNc2ccc([N+](=O)[O-])c3nonc23)cc1 28564879 JUIORXRMHQRWNB-OAQYLSRUSA-N 429.477 3.044 5 1 IGBF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 767552 CUKBNHMSLUKHDT-MJGOQNOKSA-N 431.876 3.475 5 1 IGBF CCOC(=O)C1=CN[C@H](C(=O)OCC)[C@@H]1c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-] 1650883 CRRGETQFRZIOJY-ROUUACIJSA-N 433.848 3.104 5 1 IGBF C[C@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587577928 UWGAFPDZWILKEB-KUGLCIQQSA-N 427.409 3.116 5 1 IGBF O=[N+]([O-])c1ccc2c(c1)N=C1N(c3ccccc3)CC[C@]1(O)[C@]21NCCc2ccc(O)cc21 963343345 TZEANPRDCLUKKC-RPBOFIJWSA-N 442.475 3.375 5 1 IGBF CSc1ccc(S(=O)(=O)NCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] 586941205 RGWNNIWJPMFVGK-UHFFFAOYSA-N 432.405 3.089 5 1 IGBF C[C@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587747891 SRRQSQLRFIUCED-GOHJFTENSA-N 429.286 3.341 5 1 IGBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(I)cnc(Cl)c2[nH]1 587267490 LBIKMNKAYAOHFN-LURJTMIESA-N 432.609 3.238 5 1 IGBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2nn(C)cc2[N+](=O)[O-])N1 587750846 JWFIUVOHDNWDFB-YKTRFFSWSA-N 438.301 3.083 5 1 IGBF O=C(NCc1ccco1)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 59822654 YMMUYVVSLVQQMG-ZJSXRUAMSA-N 446.463 3.109 5 3 IGBF COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 40556770 LYHZWVCVVYMSOB-QFIPXVFZSA-N 444.447 3.491 5 1 IGBF CCCCOCCCNC(=O)[C@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82082821 URNWLUQAKVRFFQ-AWEZNQCLSA-N 434.518 3.160 5 1 IGBF O=C(O)c1ccc2oc3ccc(OC[C@@H](O)C[S@@](=O)c4ccccc4)cc3c(=O)c2c1 169321996 VFDGWHUZPBDUHJ-LHEBDHONSA-N 438.457 3.192 5 1 IGBF CSc1ccc(S(=O)(=O)NCc2nc3cnc4ccccc4c3[nH]2)cc1[N+](=O)[O-] 586940913 KCCQHBLMHYBBJN-UHFFFAOYSA-N 429.483 3.220 5 1 IGBF CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])nc2c1 587259349 DDJBOGBLQCBURK-DLOVCJGASA-N 438.278 3.163 5 1 IGBF N[C@@H](CCc1nc2ccc(F)c(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587269540 DLIWIWCVMYCZHU-LBPRGKRZSA-N 436.241 3.271 5 1 IGBF COc1ccccc1N1CCN(CCCCNc2ccc([N+](=O)[O-])c3nonc23)CC1 28763948 USNVCTFRQVWFTO-UHFFFAOYSA-N 426.477 3.154 5 1 IGBF N[C@@H](CCc1nc2cc(F)cc(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270912 UFNRSHDYQFRSEP-ZDUSSCGKSA-N 436.241 3.271 5 1 IGBF C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587577926 UWGAFPDZWILKEB-IIZRCHLBSA-N 427.409 3.116 5 1 IGBF CN(C)CCNC(=O)c1ccc2c3c1nc1ccccc1c3[nH]n2CCN1CCCCC1 26985626 FYPHFEONFZZIFF-UHFFFAOYSA-N 432.572 3.448 5 1 IGBF C[C@H]1CN(Cc2ccc3nc4ccc(CN5C[C@H](C)N[C@H](C)C5)cc4nc3c2)C[C@@H](C)N1 169322332 BYJBPPWENBJCFG-FGYAAKKASA-N 432.616 3.147 5 1 IGBF COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC 775851 YANWLPNKUYUWNJ-UHFFFAOYSA-N 435.477 3.313 5 1 IGBF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cncc([N+](=O)[O-])c2[nH]1 586935437 HLWHTJSSKRADLH-ZDUSSCGKSA-N 435.531 3.256 5 1 IGBF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 775682 FJKKGCULQXPPFB-DGCLKSJQSA-N 433.461 3.413 5 1 IGBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Br)cnc(Br)c2[nH]1 587277152 PUOIKPQUWPZNLE-LURJTMIESA-N 430.060 3.391 5 1 IGBF COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC 4081372 HDCNGPHICNPIKH-HKUYNNGSSA-N 433.848 3.445 5 1 IGBF CC(C)(C)c1ccc(CNC(=O)NCc2ccc(NS(C)(=O)=O)c([N+](=O)[O-])c2)cc1 13672936 AAFJEHWCEZKTKP-UHFFFAOYSA-N 434.518 3.263 5 1 IGBF CCCS(=O)(=O)N1CCC(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1 586953666 XHOOCIPRGICMQA-UHFFFAOYSA-N 431.312 3.153 5 1 IGBF CN(C)CCNC(=O)c1ccc2c3c1nc1ccc(O)cc1c3[nH]n2CCN1CCCCC1 26987543 OTKXDWWZLHVJBA-UHFFFAOYSA-N 448.571 3.154 5 1 IGBF C[C@]12O[C@H](C[C@@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O 3941609 UIARLYUEJFELEN-YKQNXRHISA-N 439.471 3.474 5 1 IGBF CN(C)/C=C(\n1cc([N+](=O)[O-])cn1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575289 IRHBSXYZNBKACQ-UQKHGMRBSA-N 436.424 3.277 5 1 IGBF CC(C)CCNC(=O)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 59878650 CTRKQUBNIIMGIZ-QPPBQGQZSA-N 436.512 3.362 5 3 IGBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 586920586 ULSPENPBPRWTNQ-UHFFFAOYSA-N 432.202 3.486 5 1 IGBF CC(=O)N1N=C(c2ccc(I)cc2)O[C@H]1c1ccc([N+](=O)[O-])o1 96913461 LZKNODJQNWYWNY-AWEZNQCLSA-N 427.154 3.032 5 1 IGBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1NCc1ccccc1Br 587942047 YTZZGXADEDJSKG-UHFFFAOYSA-N 436.266 3.192 5 1 IGBF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1 962697684 LUPUVHJKONSHFP-JKSUJKDBSA-N 442.321 3.308 5 1 IGBF Cc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1857552028 QUCMOWULPAZPKM-UHFFFAOYSA-N 439.493 3.312 5 1 IGBF CN(CCc1ccccc1)C1CCN(C(=O)c2cc([N+](=O)[O-])c3[nH]c(=O)ccc3c2)CC1 26818835 CKAQKJXEGFUGGK-UHFFFAOYSA-N 434.496 3.215 5 1 IGBF CCOC(=O)c1c(COCCN2C(=O)c3ccccc3C2=O)[nH]c2cc([N+](=O)[O-])ccc12 587649136 QYUWJBWBKZFWNZ-UHFFFAOYSA-N 437.408 3.066 5 1 IGBF COc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2478522 ASKYIHVGXOJBHQ-UHFFFAOYSA-N 446.462 3.168 5 1 IGBF COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82147953 QNMKXCNPMFJIJE-HOTGVXAUSA-N 427.505 3.300 5 1 IGBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587263897 HQIVPVMHRVESHM-XTZNXHDOSA-N 441.379 3.238 5 1 IGBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c(I)cnc(Cl)c2[nH]1 587270907 UBYWJYBHNJSPPX-JTQLQIEISA-N 443.632 3.367 5 1 IGBF COC(=O)c1cccc2nc3c([C@H](O)[C@@H](CCCC(C)(C)O)C(=O)OC)cccc3nc12 2356803491 XDMDGJCZKPQKKM-IERDGZPVSA-N 440.496 3.333 5 1 IGBF NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NCCOc2ccccc2)c([N+](=O)[O-])c1 13878899 GVLYNMHCHQEDPQ-NRFANRHFSA-N 448.479 3.432 5 3 IGBF COC(=O)c1cccc2nc3c([C@@H](C(=O)OC)[C@@H](O)CCCC(C)(C)O)cccc3nc12 40401898 WLMRJQPFNIUWBX-RBUKOAKNSA-N 440.496 3.128 5 1 IGBF biogenic O=[N+]([O-])c1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2cc1Cl 586946356 KWSIQAICOKCRSZ-LBPRGKRZSA-N 436.877 3.249 5 1 IGBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)ccnc2[nH]1 587264045 JFSFCTWTDHXAAW-JVXZTZIISA-N 437.210 3.071 5 1 IGBF Cn1c(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cnc1-c1ccc(OC(F)(F)F)cc1 45320975 VLEPVDWVAFXHMU-AWEZNQCLSA-N 439.350 3.068 5 1 IGBF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cccc12 586941091 FDDDPACSNRKAMD-UHFFFAOYSA-N 443.460 3.308 5 1 IGBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 963134173 CYQNXLURZFOFPP-WFASDCNBSA-N 449.441 3.116 5 1 IGBF CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OC[C@@H]1CCCN1C 82082496 BCMVXUILSADUEG-WMZOPIPTSA-N 446.529 3.110 5 1 IGBF COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 64548584 WBULQFDOQQYADC-HXUWFJFHSA-N 433.424 3.248 5 1 IGBF Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)N[C@H](C(=O)O)Cc2cccc(F)c21 962900640 JCWRRPKKEUFMGH-UGKGYDQZSA-N 425.391 3.346 5 1 IGBF O=C(CCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)Nc1nc(-c2ccco2)cs1 1857544078 BPPHJYHKZOXQCY-UHFFFAOYSA-N 441.513 3.458 5 1 IGBF NCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 96168018 REWDMQBBRVSLDU-UHFFFAOYSA-N 441.469 3.498 5 1 IGBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C 587867767 ABQBYAIXLIPRAO-UHFFFAOYSA-N 438.366 3.425 5 1 IGBF CC(C)CC(=O)N1CCc2cc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc2C1 1857651196 PRNTVYPNCWWIEL-UHFFFAOYSA-N 440.456 3.364 5 1 IGBF O=C1c2ccc(O)cc2O[C@](c2ccc([N+](=O)[O-])cc2)(C(O)O)[C@H]1c1ccc(F)cc1 587343450 SZCMXMSHGMEBPE-UGKGYDQZSA-N 425.368 3.005 5 1 IGBF COC(=O)[C@@]1(Cc2c(C)[nH]c3cccc([N+](=O)[O-])c23)CN(C(=O)OC(C)(C)C)CCC1=O 587648278 BCSADCWECXWDPF-QFIPXVFZSA-N 445.472 3.296 5 1 IGBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCOC 4214039 YYQOXZSSDUQFAB-PMACEKPBSA-N 435.477 3.490 5 1 IGBF N=C(N)c1ccc2nc(-c3cc(CC(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)[nH]c2c1 14953787 RQCZRRWVWILIAI-UHFFFAOYSA-N 431.408 3.422 5 1 IGBF CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-n1cncn1 587621170 QYLGDJWJSPTIBT-UHFFFAOYSA-N 442.457 3.029 5 1 IGBF C[C@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](CC(=O)O)[C@H]1C[N+](=O)[O-] 587747895 SRRQSQLRFIUCED-WNGSPPGZSA-N 429.286 3.341 5 1 IGBF Cc1c([N+](=O)[O-])cnn1CCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657317 UFFWCFFFRRLHGW-UHFFFAOYSA-N 439.378 3.485 5 1 IGBF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1 962697681 LUPUVHJKONSHFP-CVEARBPZSA-N 442.321 3.308 5 1 IGBF NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NCCOc2ccccc2)c([N+](=O)[O-])c1 13878898 GVLYNMHCHQEDPQ-OAQYLSRUSA-N 448.479 3.432 5 3 IGBF Cc1cc(C)c(C(=O)OC[C@]2(CO)C/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)c(C)c1 42878341 HWQUXBQNFOYEOC-IWRBETTQSA-N 425.437 3.438 5 1 IGBF NC(=O)[C@H](Cc1c[nH]cn1)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cc(-c2ccccc2)on1 29559219 PYBXZIZXDPWYJQ-NRFANRHFSA-N 446.467 3.072 5 1 IGBF COC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086185 UDKQPPXZRZORMF-INIZCTEOSA-N 441.465 3.207 5 1 IGBF CC[C@H](C)C(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 299861393 LCJACWXIKWTVFB-JTQLQIEISA-N 444.435 3.278 5 1 IGBF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 82148114 BOUVTUWREKNRTD-BEFAXECRSA-N 425.489 3.197 5 1 IGBF Cn1cc(-c2cnc3ccc4ccc(CC(=O)NCc5ccccn5)cc4c(=O)c3c2)cn1 95582860 FSWZFTVJPPJUJY-UHFFFAOYSA-N 435.487 3.403 5 1 IGBF CCCS(=O)(=O)N1CCC(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1 586951977 FLKSIWSLGZDIRH-UHFFFAOYSA-N 431.312 3.153 5 1 IGBF CN1C(=O)[C@H]([C@]2(O)C(=O)N(Cc3ccccc3)c3cc([N+](=O)[O-])ccc32)c2ccccc21 206045738 NQKFKAVKEOEFSH-QPPBQGQZSA-N 429.432 3.089 5 3 IGBF CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 27558109 KTIMFDLPODESNR-FQEVSTJZSA-N 448.435 3.031 5 1 IGBF C[C@]12O[C@@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O 100999359 UIARLYUEJFELEN-ATANMQQVSA-N 439.471 3.474 5 1 IGBF COc1c2n(C)ccc3c-2n(c(=O)c1=O)c1c(Br)cc(Br)cc31 1772628137 JIIOXXNPXZNGJJ-UHFFFAOYSA-N 438.075 3.228 5 1 IGBF COc1cc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)ccc1Oc1nn(C)cc1[N+](=O)[O-] 963033093 PLJQSIATFMNRPV-JLCFBVMHSA-N 449.467 3.272 5 1 IGBF CCCC[C@@H](O[P@@H](=O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 26505410 PPHMVRBCABAKLJ-JKSUJKDBSA-N 429.410 3.022 5 1 IGBF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@H]2C(=O)OCCc1ccc([N+](=O)[O-])cc1 36177048 XFDVAPZJHKZTNE-MLNNCEHLSA-N 438.480 3.389 5 1 IGBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587273433 UEMCSVWZGOIYEB-PMACEKPBSA-N 434.408 3.296 5 1 IGBF O=[N+]([O-])c1ccc(CNc2nc(NCC3CCCCC3)c3ncn(CCO)c3n2)cc1 13863612 OVBFGPHXVZABAZ-UHFFFAOYSA-N 425.493 3.331 5 1 IGBF CC(C)CCNC(=O)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 61695562 FWFLWDPOEUMHFK-ZJSXRUAMSA-N 436.512 3.362 5 3 IGBF CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 775110 IDDYFLGBQLQTDH-NSHDSACASA-N 443.387 3.285 5 1 IGBF COC(=O)c1cccc2nc3c([C@@H](C(=O)OC)[C@H](O)CCCC(C)(C)O)cccc3nc12 40401901 WLMRJQPFNIUWBX-RTBURBONSA-N 440.496 3.128 5 1 IGBF biogenic CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1I 653863947 HZQVRZWDGULYGT-UHFFFAOYSA-N 434.211 3.363 5 1 IGBF CCOC(=O)[C@@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 95594741 QELGEQVUIARCQV-AOMKIAJQSA-N 444.440 3.296 5 1 IGBF Cc1cc(Br)c2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 587269949 GMUAMICEFRAYKW-AWEZNQCLSA-N 432.278 3.441 5 1 IGBF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4049333 CGMJBHMMSCBMOG-YHBQJITHSA-N 430.892 3.406 5 1 IGBF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587232075 SLIRUMHNCQZZLU-MNOVXSKESA-N 425.283 3.270 5 1 IGBF COc1ccc2c(c1)[nH]c1c2c2c(c3c4cccc5c4n(c13)C[C@H](CO)C5)C(=O)NC2=O 14945609 RQYXMLGQWRVIDF-LLVKDONJSA-N 425.444 3.486 5 1 IGBF CCCN(Cc1ccc([N+](=O)[O-])cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 40918120 CHQNQAYCCIARGE-NRFANRHFSA-N 431.443 3.265 5 1 IGBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cnc2[nH]1 587265852 XSNKIPPONNFQDL-FUXBKTLASA-N 426.311 3.327 5 1 IGBF CCOC(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 587266767 OKTZLTMTIVJXDQ-DYZYQPBXSA-N 429.389 3.090 5 1 IGBF COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC 769175 HDCNGPHICNPIKH-IEBWSBKVSA-N 433.848 3.445 5 1 IGBF CCCCNS(=O)(=O)c1ccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2c1 587262615 DJBMHLKOYOCMDT-UHFFFAOYSA-N 432.502 3.479 5 1 IGBF CCOC(=O)CCn1nc(-c2ccccc2)c2c(C)n(-c3cccc([N+](=O)[O-])c3)nc2c1=O 49088207 NAADVMJAVKFNJD-UHFFFAOYSA-N 447.451 3.419 5 1 IGBF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 82148286 OBQRBXRKKBZJDW-HZPDHXFCSA-N 425.489 3.007 5 1 IGBF C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Br)cc1 13863123 JCSOANSPQZJVHX-NSHDSACASA-N 443.275 3.021 5 1 IGBF COC(=O)C1=C(C)NC(CF)=C(C(=O)OC)[C@H]1c1cccc2c(=O)c3ccccc3oc12 31862381 ZKKUXDWRQPUELU-IBGZPJMESA-N 437.423 3.477 5 1 IGBF CCOC(=O)CNC(=O)[C@@H]1[C@H](c2ccc(Cl)nc2)[C@H]2CC[C@H]1[N@@+]2(C)Cc1ccccc1 253644671 HIBNEWHCBIJYJJ-BURZHDKNSA-O 442.967 3.306 5 1 IGBF COc1cccc2c(O)c3c(NCc4ccncc4)ccc(C(=O)NCCN(C)C)c3nc12 299867088 PVHFDWHZLHVJRC-UHFFFAOYSA-N 445.523 3.401 5 1 IGBF O=C(O[C@@H](Cn1ccnc1)c1ccc(F)cc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 169352587 XXRMPOPREBBDOA-IBGZPJMESA-N 440.435 3.026 5 1 IGBF C[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)N1CCN1C(=O)CC2(CCCC2)CC1=O 13560165 BFZPCLNPQUOCAP-ROUUACIJSA-N 428.533 3.203 5 1 IGBF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc2c1 587266410 WIOGBDNMHMKFLY-LBPRGKRZSA-N 449.261 3.358 5 1 IGBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCOC 4214035 YYQOXZSSDUQFAB-WOJBJXKFSA-N 435.477 3.490 5 1 IGBF CS(=O)(=O)N(c1ccc(-c2cnc3ccc4ccncc4c3c2)cc1)S(C)(=O)=O 28957598 HJXCLQZOCKOHNJ-UHFFFAOYSA-N 427.507 3.176 5 1 IGBF C[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N+](=O)[O-])c2)C1 101473795 KVTSYGFNPCSKHY-AOIWGVFYSA-N 436.512 3.252 5 1 IGBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587263523 BHLABWSWHOXZLZ-NZFNHWASSA-N 436.768 3.475 5 1 IGBF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](C)[C@@H](C[N+](=O)[O-])[C@@H]2CC(=O)O)N1 587744584 HILWFCVRNHEXQA-UBQAMOOSSA-N 429.286 3.341 5 1 IGBF O=C(O)CC[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962969171 PSABSJPGYIRROE-LIRRHRJNSA-N 440.786 3.234 5 1 IGBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587272209 LKBJOEUJYCHCOG-KBPBESRZSA-N 444.753 3.176 5 1 IGBF C[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](CC(=O)O)[C@H]1C[N+](=O)[O-] 587744580 HILWFCVRNHEXQA-MOYBURLOSA-N 429.286 3.341 5 1 IGBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135685 KYHQKPHVQBPVFJ-IYBDPMFKSA-N 425.489 3.007 5 1 IGBF CN(Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170266 QDGGZIZNHUJZNT-UHFFFAOYSA-N 443.254 3.193 5 1 IGBF COC(=O)c1cccc2nc3c([C@@H](O)[C@@H](CCCC(C)(C)O)C(=O)OC)cccc3nc12 2356803492 XDMDGJCZKPQKKM-IIBYNOLFSA-N 440.496 3.333 5 1 IGBF O=[N+]([O-])c1cc(/C=C\c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)ccc1Cl 587050462 QNJSMRQFJXIEQS-KXFIGUGUSA-N 448.888 3.316 5 1 IGBF COc1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 28365238 NBVXVHCXPKXTFY-UHFFFAOYSA-N 442.453 3.247 5 1 IGBF Nc1nc(=S)[nH]c2nc3nc(=S)[nH]c(O)c3c(-c3ccc(N4CCOCC4)cc3)c12 40413047 UNRZPCSTVZRONW-UHFFFAOYSA-N 439.526 3.085 5 1 IGBF CC(C)NC(=O)N1CCN(c2ccc([C@@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cc2)CC1 28961950 GHNXDEFTOVIAEX-IBGZPJMESA-N 427.461 3.294 5 1 IGBF O=C(NCCOCCO)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2483258 FASPIZQUVKLSQH-UHFFFAOYSA-N 449.822 3.448 5 1 IGBF CCOC(=O)[C@]1(C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1cc(OC)c(OC)c(OC)c1 95596546 ALYBUDFOVXUZEB-RCDICMHDSA-N 444.440 3.296 5 1 IGBF O=C(Nc1ccccc1[N+](=O)[O-])c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O 103293446 VAVRIXZVKXIQLD-UHFFFAOYSA-N 438.827 3.356 5 1 IGBF COc1ccc2c(c1-c1cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc1N)OCO2 35000915 AVVYRTOLEBREDE-UHFFFAOYSA-N 443.437 3.382 5 1 IGBF CCOC(=O)[C@H](C(C)=O)[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)c2ccccc2oc1=O 40916523 JHBSZXNSPBPDEC-QZTJIDSGSA-N 425.393 3.307 5 1 IGBF CCOC(=O)[C@@H](C(C)=O)[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O 40916533 UHJCEKZGXKWYDC-ZWKOTPCHSA-N 425.393 3.307 5 1 IGBF CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCCCN(C)C 82082489 FNDVJVYROOMGIL-SFHVURJKSA-N 448.545 3.358 5 1 IGBF O=[N+]([O-])c1cnc2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 587170458 DEXPJFBCSRKGPE-KRWDZBQOSA-N 427.417 3.073 5 1 IGBF O=C(NCCO)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 2482057 ODUZISPGFMXYIB-UHFFFAOYSA-N 431.788 3.021 5 1 IGBF CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N(C)C 4204564 SATACMMZULSPBB-TZIWHRDSSA-N 443.456 3.191 5 1 IGBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2nn(C)cc2[N+](=O)[O-])N1 587753989 XKJSNTPNECSLDE-DXMZBQHDSA-N 438.301 3.083 5 1 IGBF COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C 13648575 KXIKZCTVXBQIAI-RTBURBONSA-N 428.461 3.026 5 1 IGBF COc1ccc([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1Cn1cc([N+](=O)[O-])cn1 963614688 YMUCGZNNVJSABM-PSLXWICFSA-N 438.484 3.489 5 1 IGBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)nc2[nH]1 587264923 QGCZWPOPQIOEAE-CPFSXVBKSA-N 437.210 3.071 5 1 IGBF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cccc([N+](=O)[O-])c1)CC2=O 587472590 KQEMIWSPFBPGKX-JOCHJYFZSA-N 427.409 3.246 5 1 IGBF O=C1Nc2c([N+](=O)[O-])cccc2[C@@]12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962948557 BXQCZNLOZKTSFQ-HXUWFJFHSA-N 433.386 3.461 5 1 IGBF COC(=O)c1cc2nc(SCC(=O)Nc3ncc([N+](=O)[O-])s3)[nH]c2cc1Cl 1857597558 BPZPPMXJWIPQSY-UHFFFAOYSA-N 427.851 3.098 5 1 IGBF O=C(Nc1ccc([N+](=O)[O-])cc1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O 103292069 KWQPSJNXQYENHZ-UHFFFAOYSA-N 438.827 3.356 5 1 IGBF COc1cc(C(=O)Oc2ccccc2-c2ccc3c(O)nc(O)nc3n2)ccc1[N+](=O)[O-] 587556696 ZGLJGUCEZWADIG-UHFFFAOYSA-N 434.364 3.239 5 1 IGBF O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 1857628944 NEALKWPFJNANJW-UHFFFAOYSA-N 425.466 3.003 5 1 IGBF NCCCC[C@@H](C(N)=O)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cc(-c2ccccc2)on1 29563580 KJMLZUUTFZKTTB-NRFANRHFSA-N 437.500 3.235 5 1 IGBF Nc1nc(Cl)c2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2n1 587118985 SYXDCOGMECLMCW-UHFFFAOYSA-N 438.757 3.427 5 1 IGBF CN1C(=O)[C@H]([C@@]2(O)C(=O)N(Cc3ccccc3)c3cc([N+](=O)[O-])ccc32)c2ccccc21 206045696 NQKFKAVKEOEFSH-ZJSXRUAMSA-N 429.432 3.089 5 3 IGBF COc1cc(Nc2ncnc(Nc3ccc(C(=N)N)cc3)c2[N+](=O)[O-])cc(OC)c1OC 473144965 AZRPWOZHAHWESZ-UHFFFAOYSA-N 439.432 3.182 5 1 IGBF Cc1nnc2n1-c1ccc(NC(=O)C3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)cc1CC2 40937768 BTNJVCHEFKCPBM-UHFFFAOYSA-N 446.511 3.433 5 1 IGBF CS(=O)(=O)c1cc(-c2nc3cc(Br)ncc3[nH]2)cc([N+](=O)[O-])c1Cl 586925798 JDIOCOGHFGJBSD-UHFFFAOYSA-N 431.655 3.353 5 1 IGBF CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1857655479 HDLRKILTOGGNIM-UHFFFAOYSA-N 448.391 3.316 5 1 IGBF NCc1cccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cc2)c1 96168017 JWVZOXXUOQCRNP-UHFFFAOYSA-N 441.469 3.498 5 1 IGBF O=C1c2ccc(O)cc2O[C@](c2ccc([N+](=O)[O-])cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 587343447 SZCMXMSHGMEBPE-KNQAVFIVSA-N 425.368 3.005 5 1 IGBF CC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@]1(C)NCCc2c1c(C(C)C)nn2C 962917957 MJKWCVHKPHNFEP-KKSFZXQISA-N 429.477 3.169 5 1 IGBF CC1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cn(C)cc2[N+](=O)[O-])CC1 27093893 MNUNHRPHHNOFNX-UHFFFAOYSA-N 428.420 3.311 5 1 IGBF NC(=O)c1cc(N2CCC(c3nc4c(Br)ccnc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262891 HDIKFDVLCVGUHU-UHFFFAOYSA-N 445.277 3.112 5 1 IGBF CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N(C)C 771659 SATACMMZULSPBB-FPOVZHCZSA-N 443.456 3.191 5 1 IGBF CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)N[C@H]1CCCC[C@H]1O 775523 RJULQPBDDZYMSH-GXTWGEPZSA-N 431.445 3.309 5 1 IGBF CC1(C)C=Cc2c(cc3oc4c5c(c(O)cc4c(=O)c3c2O)O[C@@H](C(C)(C)O)[C@@H]5O)O1 13382728 OHRIQNJHLMZPSG-WIYYLYMNSA-N 426.421 3.107 5 1 IGBF biogenic COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587230098 FHPCXEOFCQMWSV-VXGBXAGGSA-N 425.283 3.270 5 1 IGBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587263894 HQIVPVMHRVESHM-MGNBDDOMSA-N 441.379 3.238 5 1 IGBF COc1cc(OC)c2c(=O)cc(N3CCN(CCc4ccc([N+](=O)[O-])cc4)CC3)oc2c1 653813154 GUOUAMXYOJDXCN-UHFFFAOYSA-N 439.468 3.083 5 1 IGBF CCOC(=O)[C@H](C(C)=O)[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O 40916531 UHJCEKZGXKWYDC-QZTJIDSGSA-N 425.393 3.307 5 1 IGBF COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O 40556769 LYHZWVCVVYMSOB-JOCHJYFZSA-N 444.447 3.491 5 1 IGBF CC(C)COc1nc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCC(C)C)n1 299852238 PGOIJPWFDTUDBN-UHFFFAOYSA-N 432.433 3.405 5 1 IGBF C[C@]1(CN2CCc3nc(-c4cc(F)ccc4F)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857570120 JNMMHGWCODURNL-NRFANRHFSA-N 427.411 3.341 5 1 IGBF Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)c1C(=O)N1CCC(CO)CC1 1857749599 VREQAUAFVGPNFL-UHFFFAOYSA-N 448.479 3.248 5 1 IGBF Cc1nn([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)c2ccc([N+](=O)[O-])cc12 28951843 JXKGDIMNYDIEFS-ZUOKHONESA-N 428.399 3.272 5 1 IGBF CC(C)CN(C[C@@H](O)COc1ccc2cc[nH]c2c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 299829620 KQBCLRZCNSJNQZ-GOSISDBHSA-N 447.513 3.163 5 1 IGBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 586920461 RNIUREJVQQQCKK-UHFFFAOYSA-N 436.318 3.494 5 1 IGBF COc1cc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)ccc1Oc1nn(C)cc1[N+](=O)[O-] 963033090 PLJQSIATFMNRPV-FPTDNZKUSA-N 449.467 3.272 5 1 IGBF O=C(O)c1ccc(Nc2ncc([N+](=O)[O-])c(NC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)n2)cc1 101451543 YLVVCSCPLBFQFV-QQRKTFAASA-N 425.445 3.322 5 1 IGBF C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCc1ccccn1 82083698 CJSKQZHGFXYOAL-ZDUSSCGKSA-N 426.454 3.018 5 1 IGBF O=C(O)CC[C@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962969168 PSABSJPGYIRROE-IFXJQAMLSA-N 440.786 3.234 5 1 IGBF CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 773525 CROFJMCQYGPMIU-CYBMUJFWSA-N 443.387 3.285 5 1 IGBF COc1ccc([C@@H]2C=C(c3cc(OC)c(OC)c(OC)c3)NC(=S)N2)cc1[N+](=O)[O-] 40848522 RGHBIQFUBDLEAR-ZDUSSCGKSA-N 431.470 3.189 5 1 IGBF COc1nn(CCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1[N+](=O)[O-] 587862420 ACLAKLURONJQDE-UHFFFAOYSA-N 439.350 3.421 5 1 IGBF CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OC[C@H]1CCCN1C 82082502 BCMVXUILSADUEG-AEFFLSMTSA-N 446.529 3.110 5 1 IGBF COc1ccc(CCN2CCC(N=c3nc(O)c4nc5cc(C)ccc5nc4[nH]3)CC2)cc1 1857632529 DEBCHWMFMIXNKQ-UHFFFAOYSA-N 444.539 3.137 5 1 IGBF NCc1cccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c1 96168015 IPKQAMAOLNZVQQ-UHFFFAOYSA-N 441.469 3.498 5 1 IGBF Cc1ccc(NC(=S)N2CCN(c3nc(=O)c4cc([N+](=O)[O-])ccc4s3)CC2)cc1 1772609885 OZIGHEHIXXYXHF-UHFFFAOYSA-N 441.538 3.392 5 1 IGBF NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NCC2CC2)c([N+](=O)[O-])c1 13878851 OPIXPPOTBPMVHR-SFHVURJKSA-N 430.892 3.346 5 3 IGBF Cc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174575 GOHZBSWVZFXFRP-HNNXBMFYSA-N 438.513 3.494 5 1 IGBF COc1cc(OC)c2c(=O)c3cc(N)c(N4CCN(c5ccccn5)CC4)cc3n(C)c2c1 38216848 GCFOBPABVOEWHU-UHFFFAOYSA-N 445.523 3.013 5 1 IGBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587274873 VEABWXCZVNYQEH-UHFFFAOYSA-N 446.876 3.479 5 1 IGBF COC(=O)C1=C[C@@]23CCC[N+]4([O-])CC[C@@]5(c6cccc(OC)c6N(C(=O)OC)[C@]15CC2)[C@H]34 238776193 VDVBPVYORLWNBI-OQNSBIHKSA-N 440.496 3.032 5 1 IGBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(N)c(N)cc2[nH]1 586949124 QIXAGANGEQVNQX-UHFFFAOYSA-N 438.469 3.412 5 1 IGBF Cc1ccc(S(=O)(=O)N(CC(=O)OC(C)(C)C)Cc2ccc([N+](=O)[O-])s2)cc1 84708884 YSBUUMMBHNXCHO-UHFFFAOYSA-N 426.516 3.497 5 1 IGBF COc1cc2c(=O)n(CCNC(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 28522259 YUJFXDQDMGPPLM-UHFFFAOYSA-N 435.480 3.447 5 1 IGBF O=[N+]([O-])c1ccc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c([N+](=O)[O-])c1 587263830 GBEUVYYHWFRIHK-UHFFFAOYSA-N 430.320 3.264 5 1 IGBF COc1cc2cc(C(=O)N3CCC[C@H]3C(N)=O)c3cc(OC)c(OC)cc3c2cc1OC 103174317 JKZWOENJPLMOKV-SFHVURJKSA-N 438.480 3.117 5 1 IGBF CC(C)CN(C[C@@H](O)CNc1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 299827542 GIRZZMFMCFMNBO-IBGZPJMESA-N 446.529 3.196 5 1 IGBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ncc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 66259150 ADEWRNMPMKZRKB-AWEZNQCLSA-N 437.334 3.125 5 1 IGBF Cc1cc(C)nc(SCc2cc(=O)c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)co2)n1 95573196 FLZDAHOTPDAHJF-UHFFFAOYSA-N 449.466 3.015 5 1 IGBF CS(=O)(=O)c1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608808 SWKIGRITYDDAPS-WIYYLYMNSA-N 441.417 3.407 5 1 IGBF CC(=O)N1CCN(c2cnc3cccc(NC(=O)Nc4cccc([N+](=O)[O-])c4)c3c2)CC1 71287392 HFFKSUPVECHKLW-UHFFFAOYSA-N 434.456 3.456 5 1 IGBF N[C@@H](CCc1nc2c3cccnc3c3ncccc3c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587272313 MREPJDATNKBJSE-KRWDZBQOSA-N 441.451 3.466 5 1 IGBF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1ccco1 82082153 AFXGPUZWLKLFTG-QGZVFWFLSA-N 428.470 3.382 5 1 IGBF O=C(O)c1ccc(Nc2ncc([N+](=O)[O-])c(NC34C[C@@H]5C[C@H](CC(O)(C5)C3)C4)n2)cc1 101451541 YLVVCSCPLBFQFV-VRTLLEBXSA-N 425.445 3.322 5 1 IGBF CC[C@@H](C)C(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 299861394 LCJACWXIKWTVFB-SNVBAGLBSA-N 444.435 3.278 5 1 IGBF O=C(NCCC1CCN(C[C@H]2COc3ccccc3O2)CC1)c1ccccc1[N+](=O)[O-] 13813586 XTQFNJSMJJDQSD-SFHVURJKSA-N 425.485 3.267 5 1 IGBF CSc1ccc(S(=O)(=O)NCc2nc3c(C)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] 586940882 IYSGASNQWXYNNN-UHFFFAOYSA-N 427.895 3.028 5 1 IGBF COC(=O)c1ccc(-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)c(O[C@@H]2CCOC2)c1 587925076 NAQYNWRSCMPDFS-MRXNPFEDSA-N 440.408 3.418 5 1 IGBF Cn1nc(-c2ccc(OC(F)(F)F)cc2)cc1CO[C@@H]1COc2nc([N+](=O)[O-])cn2C1 45245008 XOSKCDSTRUTOKN-AWEZNQCLSA-N 439.350 3.068 5 1 IGBF COc1cc2nc(/C=C/c3cccc([N+](=O)[O-])c3)n(CCCN(C)C)c(=O)c2cc1OC 299867234 XSRFZDXBUXYBFA-MDZDMXLPSA-N 438.484 3.444 5 1 IGBF O=C(O)c1cn(C2CC2)c2cc(N3CCC(N4CCCCC4)CC3)c([N+](=O)[O-])cc2c1=O 40393935 QXZKFGHEAOOAIX-UHFFFAOYSA-N 440.500 3.398 5 1 IGBF CN(C)CCOc1cccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)c1 45285406 PVHJPVLRABOLGN-NRFANRHFSA-N 438.484 3.377 5 1 IGBF O=C(CN1CCN(c2ccnc3cc(Cl)ccc23)CC1)Nc1ncc([N+](=O)[O-])s1 1772582483 PFIJUFCFDBWLKM-UHFFFAOYSA-N 432.893 3.014 5 1 IGBF COc1cccc2c(O)c3c(NCc4ccccn4)ccc(C(=O)NCCN(C)C)c3nc12 299858224 DKYVMBVMJMQWPF-UHFFFAOYSA-N 445.523 3.401 5 1 IGBF CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1C[C@H](O)COc1ccccc1[N+](=O)[O-] 40762972 GYQHSZGKNBWBPL-INIZCTEOSA-N 441.440 3.084 5 1 IGBF O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O 103293449 OSUDYEFBNRJURJ-UHFFFAOYSA-N 438.827 3.356 5 1 IGBF O=C(NC[C@@H]1CCCN(C2Cc3ccccc3C2)C1)c1cc([N+](=O)[O-])c2cccnc2c1O 473102972 MQCBTMHXZZOWAK-INIZCTEOSA-N 446.507 3.458 5 1 IGBF COc1ccccc1OCCNC[C@H](O)COc1cccc2c(=O)c3ccccc3oc12 1857536788 SZQKXVUPDJQEAD-KRWDZBQOSA-N 435.476 3.363 5 1 IGBF COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC 4211394 YCQUFYBZRZJEKD-HKUYNNGSSA-N 433.848 3.445 5 1 IGBF O=C(CSc1nnc(-c2ccccc2O)s1)Nc1nc2ccc([N+](=O)[O-])cc2[nH]1 1857641274 UWTKULXZAUJOTN-UHFFFAOYSA-N 428.455 3.426 5 1 IGBF CSc1ccc(S(=O)(=O)NCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1[N+](=O)[O-] 586940883 JAYSFRQXQFYXAY-UHFFFAOYSA-N 448.313 3.373 5 1 IGBF CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1ccco1 82081932 XCYWKDRYOFTAGX-KRWDZBQOSA-N 428.470 3.382 5 1 IGBF C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C[C@@H](C)O1 40866420 ITRKMACHYHKVNB-BETUJISGSA-N 441.415 3.350 5 1 IGBF CN(C)S(=O)(=O)c1ccc(OCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 586931405 BUGQEDJHQYNKCH-UHFFFAOYSA-N 433.493 3.489 5 1 IGBF CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OC[C@H]1CCCN1C 82082503 BCMVXUILSADUEG-SJLPKXTDSA-N 446.529 3.110 5 1 IGBF COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82147951 QNMKXCNPMFJIJE-IYBDPMFKSA-N 427.505 3.300 5 1 IGBF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O 587389634 MFLRVAPRLRHRIK-DIFFPNOSSA-N 430.413 3.443 5 1 IGBF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O 587434635 XJNOOIFRGGJHTM-QVYZXLCWSA-N 443.408 3.343 5 1 IGBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCOC 4214036 YYQOXZSSDUQFAB-UXHICEINSA-N 435.477 3.490 5 1 IGBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cc(-c3ccc(OC(F)(F)F)cc3)no1)C2 45245368 ZMTWVDWHMHMTPR-ZDUSSCGKSA-N 426.307 3.323 5 1 IGBF COC(=O)c1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c1 587091485 FKKAYOYYNDMJOZ-UHFFFAOYSA-N 448.155 3.446 5 1 IGBF N[C@@H](CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587273386 TYYYGODIMDZZDA-HNNXBMFYSA-N 441.451 3.466 5 1 IGBF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccccc1[N+](=O)[O-])CC2=O 587468105 ATRCLSXEYADQRZ-JOCHJYFZSA-N 427.409 3.246 5 1 IGBF COc1ccc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)cc1[N+](=O)[O-] 28825552 LDDGTLIEMJSGTI-INIZCTEOSA-N 429.429 3.327 5 1 IGBF COC(=O)N1C(=O)N(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C1C 96272066 XBHIDAKVJKFMAW-HNNXBMFYSA-N 435.389 3.132 5 1 IGBF Cn1cc(-c2cnc3ccc4ccc(NS(=O)(=O)C(F)(F)F)cc4c(=O)c3c2)cn1 72109364 PWEWKROHMINCBH-UHFFFAOYSA-N 434.399 3.410 5 1 IGBF O=C(O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587576421 OOUCLGWEXOPNJU-DENIHFKCSA-N 437.360 3.467 5 1 IGBF CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(=O)c2cc(F)c(N3CCNCC3)cc21 43024856 XBJWVVVWTUHXPO-UHFFFAOYSA-N 436.447 3.022 5 1 IGBF Cc1ccc(C(=O)N[n+]2cc(O)[c-](-c3nc(-c4cccc([N+](=O)[O-])c4)cs3)c2N)cc1 169692249 FOBLVFVXOLLELI-UHFFFAOYSA-O 435.465 3.372 5 1 IGBF CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])nc2c1 587259347 DDJBOGBLQCBURK-ADEWGFFLSA-N 438.278 3.163 5 1 IGBF CN1C(=O)[C@@H]([C@]2(O)C(=O)N(Cc3ccccc3)c3cc([N+](=O)[O-])ccc32)c2ccccc21 206045717 NQKFKAVKEOEFSH-URXFXBBRSA-N 429.432 3.089 5 3 IGBF COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCc1ccc([N+](=O)[O-])cc1)CC2 29317256 QLZSRDNOMAPMII-UHFFFAOYSA-N 441.528 3.104 5 1 IGBF C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C[C@@H](C)O1 40866424 ITRKMACHYHKVNB-CHWSQXEVSA-N 441.415 3.350 5 1 IGBF COC(=O)c1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cn1 587053130 BMIGJQZAXTWGNL-MRXNPFEDSA-N 431.836 3.433 5 1 IGBF CC/N=c1/cc2oc3cc(NCCC(=O)NCC(=O)OC)c4ccccc4c3nc-2cc1C 29059358 WUZHYKYIFUXYPE-ITYLOYPMSA-N 446.507 3.406 5 1 IGBF COc1ccc(NS(=O)(=O)c2ccc3c(c2)c2ccc([N+](=O)[O-])cc2n3C)c(OC)n1 1772584138 QOSWSXKRFRSJGC-UHFFFAOYSA-N 442.453 3.453 5 1 IGBF O=C(Nc1cccc(-c2ccc(C(F)(F)F)nc2)c1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 73197937 MIISIOQDDUFVPG-AWEZNQCLSA-N 448.361 3.455 5 1 IGBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Br)cnc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587266172 YTYQGWBDBLCWEN-GJMOJQLCSA-N 446.099 3.143 5 1 IGBF COc1ccccc1N1CCN(CCCn2cnc3c(cnc4cc(C)ccc43)c2=O)CC1 72108597 XNYAFFFROCBELK-UHFFFAOYSA-N 443.551 3.474 5 1 IGBF CCOC(=O)[C@@H](C(C)=O)[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)c2ccccc2oc1=O 40916529 JHBSZXNSPBPDEC-ROUUACIJSA-N 425.393 3.307 5 1 IGBF Cc1nn(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1[N+](=O)[O-] 587656213 HPVWWZDSGPKELK-UHFFFAOYSA-N 439.378 3.404 5 1 IGBF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149611 AXWAUVCDTXDHRO-IYBDPMFKSA-N 425.489 3.007 5 1 IGBF C[C@@]12O[C@H](C[C@@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O 103050544 UIARLYUEJFELEN-IAIFEWERSA-N 439.471 3.474 5 1 IGBF CC(=O)NCCCCCOC(=O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1 1772623911 FHFIMGDDTSEHOO-UHFFFAOYSA-N 427.417 3.338 5 1 IGBF COc1cc(Br)c([C@@H](N)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1OC 586975653 OXWRZZUWQXUGJS-OAHLLOKOSA-N 425.214 3.438 5 1 IGBF C[N+]1(COP(=O)(O)O)CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1 2022422 CNXCGYPKFUBIHZ-UHFFFAOYSA-O 438.828 3.353 5 1 IGBF CN(C)CCCCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085438 KMWWGCGRYRAYOO-SFHVURJKSA-N 446.529 3.208 5 1 IGBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc(Br)c2[nH]1 587266112 ZXXMYACBSHKBPQ-FUXBKTLASA-N 437.210 3.071 5 1 IGBF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2ccc(I)c([N+](=O)[O-])c2)N1 962926683 ZBMPRDDLVFEJLQ-WFASDCNBSA-N 442.184 3.027 5 1 IGBF C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C[C@H](C)O1 40866422 ITRKMACHYHKVNB-STQMWFEESA-N 441.415 3.350 5 1 IGBF COc1cc(CC(=O)NC(=N)NCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 299832086 RJQYLENUFBYFRY-UHFFFAOYSA-N 441.271 3.302 5 1 IGBF O=[N+]([O-])c1nc2n(n1)C[C@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)CO2 1772632808 KCPFDMGWALUOHK-HNNXBMFYSA-N 437.334 3.125 5 1 IGBF O=[N+]([O-])c1cc(CSc2nnc(CCCCCN3CCOCC3)o2)cc([N+](=O)[O-])c1 1772648798 RWTCXCYXMIPDAA-UHFFFAOYSA-N 437.478 3.223 5 1 IGBF CC[C@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 773524 CROFJMCQYGPMIU-ZDUSSCGKSA-N 443.387 3.285 5 1 IGBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4212230 AJRZUBMESRQFRN-LVXYXVKQSA-N 448.520 3.404 5 1 IGBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3cccc(OCCCO)c3)c1)C2 45260851 DUDCXVMJAJNEDT-FQEVSTJZSA-N 425.441 3.197 5 1 IGBF CCCCOCCCNC(=O)[C@H](C)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82083039 GAVDHXJTWSPRMA-AWEZNQCLSA-N 434.518 3.160 5 1 IGBF CC(C)OC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)c1 1772646379 DNLIZFPSNXONRN-UHFFFAOYSA-N 444.463 3.303 5 1 IGBF CC(C)CC(=O)O[C@H](CC(=O)OC/C=C1\OC(=O)c2ccc(Cl)cc21)C[N+](C)(C)C 1540173 ASHQJTHVNKRPNC-VCDYGYSOSA-N 438.928 3.449 5 1 IGBF CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccc([N+](=O)[O-])o4)C[C@H]3C2)cc1 1857643308 SBALBRDSFYHTGK-HOTGVXAUSA-N 433.530 3.238 5 1 IGBF Nc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3c(O)nc(=S)[nH]c3[nH]2)cc1 17190705 KGOUFUXEYDIKOB-ZROIWOOFSA-N 449.452 3.140 5 1 IGBF NS(=O)(=O)C1=NN2C(=NC(c3ccccc3)=C[C@H]2c2cc([N+](=O)[O-])ccc2Cl)S1 72183991 ALVGJJYBYLXVGK-HNNXBMFYSA-N 449.901 3.308 5 1 IGBF CN(C)C(C)(C)COC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085437 OHDCLSMOBSEYBW-QGZVFWFLSA-N 446.529 3.206 5 1 IGBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587273988 MEAJBXLTUFLMMY-UHFFFAOYSA-N 446.876 3.479 5 1 IGBF O=C(c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21)N1CCN(c2ncccn2)CC1 6498179 AXOHTWFLRFHYPE-UHFFFAOYSA-N 441.520 3.451 5 3 IGBF aggregator O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 586920082 LUBIZXZAFPLAML-UHFFFAOYSA-N 441.219 3.116 5 1 IGBF CCN(CC)S(=O)(=O)c1ccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2c1 587263603 WMNRFKDDIFLKFR-UHFFFAOYSA-N 432.502 3.432 5 1 IGBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 587937822 ODBRSPJDEMYHQM-UHFFFAOYSA-N 449.423 3.435 5 1 IGBF O=C(NCC1CCN(C2Cc3ccccc3C2)CC1)c1cc([N+](=O)[O-])c2cccnc2c1O 1857641658 ZNXXOHOUWXXAEF-UHFFFAOYSA-N 446.507 3.458 5 1 IGBF NC(=O)c1cc(N2CCC(c3nc4cc(Br)ncc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263607 WPDXQKJDWDWPQE-UHFFFAOYSA-N 445.277 3.112 5 1 IGBF COc1cc(OC)c2c(=O)c3cc(N)c(N4CCN(c5ccncc5)CC4)cc3n(C)c2c1 40951223 NOZGQOKLEYZQTC-UHFFFAOYSA-N 445.523 3.013 5 1 IGBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCCCO3 587266891 QCUSWKPJJSNOEW-MGNBDDOMSA-N 429.389 3.075 5 1 IGBF N=c1c(C(=O)NCC2CCCCC2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 1857648008 USMANIUBWOUSPE-UHFFFAOYSA-N 441.535 3.487 5 1 IGBF COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2S(N)(=O)=O)cc1 28364240 NSRBMEZAGKFZOF-UHFFFAOYSA-N 443.437 3.295 5 1 IGBF CCc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163664 PWMHIVJCGRNXPV-CQSZACIVSA-N 438.513 3.439 5 1 IGBF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OCC(=O)O)cc1[N+](=O)[O-])CC2=O 587472886 NYDBNOZBVPSXPT-QGZVFWFLSA-N 431.397 3.431 5 1 IGBF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586945291 FTARZIGQXHUECH-AWEZNQCLSA-N 430.486 3.212 5 1 IGBF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587232074 SLIRUMHNCQZZLU-GHMZBOCLSA-N 425.283 3.270 5 1 IGBF O=C(O)CC[C@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962969164 PSABSJPGYIRROE-AUUYWEPGSA-N 440.786 3.234 5 1 IGBF Cc1ccc(NC(=O)N2CCN(c3nc(=O)c4cc([N+](=O)[O-])ccc4s3)CC2)cc1 1772608372 NPNNFOIZRRTXIQ-UHFFFAOYSA-N 425.470 3.227 5 1 IGBF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586945293 FTARZIGQXHUECH-CQSZACIVSA-N 430.486 3.212 5 1 IGBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(-n3cnnn3)cc2[nH]1 587053415 FAFRVURUSIQRKC-KRWDZBQOSA-N 440.851 3.227 5 1 IGBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3ccnc3)c2c1 587621033 MCISOXWSDAZFEX-UHFFFAOYSA-N 427.442 3.380 5 1 IGBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N1CCOCC1 4215608 RTJZTKCOAYLUOL-LEWJYISDSA-N 449.504 3.485 5 1 IGBF CCOC(=O)C1CCN(c2ncc(C(=O)Nc3cccc(OC)c3)cc2[N+](=O)[O-])CC1 299859066 VPQOJBPHACCHTE-UHFFFAOYSA-N 428.445 3.030 5 1 IGBF O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccc([N+](=O)[O-])cc3)nc12)c1ccccc1 34800802 DCUXOYAEGKLSEN-UHFFFAOYSA-N 426.392 3.194 5 1 IGBF CN(C)/C=C(\n1cc([N+](=O)[O-])cn1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575287 IRHBSXYZNBKACQ-HYNJQGQSSA-N 436.424 3.277 5 1 IGBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)[C@@H](O)[C@H](C(C)(C)O)O4 14586283 INYICHQLUHYLEX-FYYLOGMGSA-N 442.464 3.440 5 1 IGBF biogenic CCN(C)c1ncc(C(=O)NCCc2ccccc2OC)c(-c2cccc([N+](=O)[O-])c2)n1 82136159 SQOPJOBGJWUWNN-UHFFFAOYSA-N 435.484 3.489 5 1 IGBF C[C@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1cc([N+](=O)[O-])cn1 587657056 RNVHDUNNZOOHRV-LLVKDONJSA-N 425.351 3.348 5 1 IGBF CC1(C)C=Cc2c(cc3oc4c5c(c(O)cc4c(=O)c3c2O)O[C@H](C(C)(C)O)[C@H]5O)O1 13382729 OHRIQNJHLMZPSG-RXVVDRJESA-N 426.421 3.107 5 1 IGBF biogenic C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 82148116 BOUVTUWREKNRTD-KXBFYZLASA-N 425.489 3.197 5 1 IGBF CNC1=NC(=O)[C@@H]([C@H](C)c2cn(C(=O)OCC(C)(C)[N+](C)(C)C)c3ccccc23)S1 169320543 IRGFSVOFULQTKT-RDTXWAMCSA-O 431.582 3.432 5 1 IGBF C[C@H]1CCCCN1C(=O)c1ccc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1 101486054 VDPZKOHTKXABQZ-LNLFQRSKSA-N 436.512 3.395 5 1 IGBF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586951794 ZUJQDUQLEBVAAK-UHFFFAOYSA-N 432.281 3.037 5 1 IGBF CCOC(=O)Cc1ccc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2c1 587079370 JHEZRGQYNHWMIO-UHFFFAOYSA-N 444.835 3.438 5 1 IGBF O=C(Nc1ccccc1)N1CCc2c(cnn2Cc2cn(-c3ccc([N+](=O)[O-])cc3)nn2)C1 1857632163 CICKKQRGLHUERZ-UHFFFAOYSA-N 444.455 3.011 5 1 IGBF O=S(=O)(NCCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(Cl)nc1 586942298 JEECUFZOFNQHJN-UHFFFAOYSA-N 438.900 3.229 5 1 IGBF O=[N+]([O-])c1cccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 586951741 XLSGAHHVPHBLJB-UHFFFAOYSA-N 437.275 3.341 5 1 IGBF COC(=O)c1cccc2nc3c([C@H](C(=O)OC)[C@H](O)CCCC(C)(C)O)cccc3nc12 40401907 WLMRJQPFNIUWBX-MOPGFXCFSA-N 440.496 3.128 5 1 IGBF biogenic O=C(O)COc1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576110 MNDSPKPOZAXHSF-KNQAVFIVSA-N 437.360 3.467 5 1 IGBF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 82148122 BOUVTUWREKNRTD-HNAYVOBHSA-N 425.489 3.197 5 1 IGBF CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc1cccc2cc3ccccc3cc12)C(C)C 64696400 GKXFEKMSFDSYFC-QQMNAOGKSA-N 448.567 3.185 5 1 IGBF COC(=O)c1cc(Cl)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 587263790 DVSIXSQWBHMUNX-GLEZIHRCSA-N 449.807 3.353 5 1 IGBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(CN3CCOCC3)cc2[nH]1 587264081 AOYFTQDELMYPFM-ZDUSSCGKSA-N 426.433 3.385 5 1 IGBF O=C(Cn1cc(Cl)c([N+](=O)[O-])n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656054 VIHOUDRIGPLEMM-UHFFFAOYSA-N 445.769 3.440 5 1 IGBF CC[C@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 775685 FJKKGCULQXPPFB-AAEUAGOBSA-N 433.461 3.413 5 1 IGBF Cc1c(I)cnn1[C@H](C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587182128 LQZNKALWVIVQEZ-SSDOTTSWSA-N 442.173 3.098 5 1 IGBF COCCOc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1[N+](=O)[O-] 587265166 LANHDUVDDMOVPH-UHFFFAOYSA-N 436.428 3.223 5 1 IGBF O=C(Cn1cc(Cl)c([N+](=O)[O-])n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657779 ZQOWNBOTDVBMMN-UHFFFAOYSA-N 427.779 3.301 5 1 IGBF CC(C)(C)OC(=O)N1[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)c2scnc2C[C@@H]1C(=O)O 963134170 CYQNXLURZFOFPP-DOMZBBRYSA-N 449.441 3.116 5 1 IGBF Cc1ccc(Cn2c(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)nc3cccnc32)cc1 8600235 KKBWIQYQZJLUFR-UHFFFAOYSA-N 437.481 3.175 5 1 IGBF CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)s3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82219631 QAUZTDQFKLMHEA-UHFFFAOYSA-N 438.513 3.461 5 1 IGBF Cc1cc2c(cc1C)[n+]([O-])c1cc(C(=O)N3CCN(c4ccccc4)CC3)c(C)cc1[n+]2[O-] 101315558 HPXSTMJQRKVGFN-UHFFFAOYSA-N 442.519 3.147 5 1 IGBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)ncc2[nH]1 587263834 GFWYWKQTTPEAKP-WJWGPLDTSA-N 426.311 3.327 5 1 IGBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(C(=O)O)ncc1Br 587938860 DWARIDFNOVZSBM-VIFPVBQESA-N 428.239 3.468 5 1 IGBF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(NCCOC)c([N+](=O)[O-])c3)[nH]c2c1 587265349 PAHANDVUCGWCGO-UHFFFAOYSA-N 447.517 3.275 5 1 IGBF CN(C)C[C@@H](O)Cn1c2ccccc2c2c3c(c4c5ccccc5n(C)c4c21)C(=O)NC3=O 14944038 QSOFUTFSQFZCHZ-CQSZACIVSA-N 440.503 3.246 5 1 IGBF CCNc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2cc(OC)c(OC)cc12 82131310 HGGQEKBUUIRUCX-UHFFFAOYSA-N 438.488 3.314 5 1 IGBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2nn(C)cc2[N+](=O)[O-])N1 587750841 JWFIUVOHDNWDFB-BQJDTNMYSA-N 438.301 3.083 5 1 IGBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NC[C@H](O)CC 4212368 VVSQMMMBWHPYBY-CWVNLOTRSA-N 435.477 3.225 5 1 IGBF O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCSCC3)c([N+](=O)[O-])cc2c1=O 40873745 LPLIYUWFTOSOEA-UHFFFAOYSA-N 429.429 3.289 5 1 IGBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc(-c3ccc(OC(F)(F)F)cc3)nc1)C2 66258845 IUMNPJVBCCBQON-AWEZNQCLSA-N 437.334 3.125 5 1 IGBF O=C(NCc1ccco1)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081271 AJEZKJIUMUDRPW-AWEZNQCLSA-N 440.481 3.480 5 1 IGBF CC(C)CN(C[C@@H](O)COc1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 139743152 RDHNPNPADOJUOQ-GOSISDBHSA-N 447.513 3.163 5 1 IGBF Nc1nc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)nnc1-c1ccccc1 1857534181 DDWCYBUHSARUDM-UHFFFAOYSA-N 437.419 3.395 5 1 IGBF CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)N[C@@H]1CCCC[C@@H]1O 775526 RJULQPBDDZYMSH-OCCSQVGLSA-N 431.445 3.309 5 1 IGBF CC(C)OC(=O)CC[C@H](NSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC(C)C 95593281 SFCQFPUCLSDXLI-ZDUSSCGKSA-N 429.451 3.152 5 1 IGBF C[C@H]1CN(Cc2ccc3nc4ccc(CN5C[C@@H](C)N[C@H](C)C5)cc4nc3c2)C[C@@H](C)N1 169322330 BYJBPPWENBJCFG-WTGUMLROSA-N 432.616 3.147 5 1 IGBF CS(=O)(=O)c1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608803 SWKIGRITYDDAPS-GHTZIAJQSA-N 441.417 3.407 5 1 IGBF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OC[C@@H]1CCCN1C 82082705 QDGVWVIUHONHIE-KBXCAEBGSA-N 446.529 3.110 5 1 IGBF Cc1c(Br)ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 587269500 CWNJMCHMGLSSEZ-AWEZNQCLSA-N 432.278 3.441 5 1 IGBF Cc1cc(C)n(C[C@]2(c3cccc([N+](=O)[O-])c3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)n1 963034192 QURDFVNEJUDQCS-BXKMTCNYSA-N 431.496 3.405 5 1 IGBF CC(=O)Nc1ccc(NC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 3928850 VDCVMSYLCTUWSX-SFHVURJKSA-N 440.378 3.374 5 1 IGBF CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N(C)C 4204565 SATACMMZULSPBB-CTNGQTDRSA-N 443.456 3.191 5 1 IGBF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 586936839 VKPWFHQGOVUQBD-UHFFFAOYSA-N 430.489 3.300 5 1 IGBF CCOC(=O)C1=NO[C@@H](c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)cc2)C1 40407685 NFUFTMONVPFNTO-JOCHJYFZSA-N 438.484 3.298 5 1 IGBF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCCCN(C)C 82082692 LBLWKWSELDNRCE-SFHVURJKSA-N 448.545 3.358 5 1 IGBF O=C(CO[N+](=O)[O-])N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 653727873 CSUQCYSHGQYVPS-MRXNPFEDSA-N 449.217 3.243 5 1 IGBF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c2)o1 586923239 GYVGMZGQSXOZSL-UHFFFAOYSA-N 427.442 3.366 5 1 IGBF CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C3OCCO3)cc2)c([N+](=O)[O-])c1 13765352 QXVXOUIRQQOBDX-UHFFFAOYSA-N 436.472 3.436 5 1 IGBF O=[N+]([O-])c1cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2cc1[N+](=O)[O-] 586954883 IGENMKJMYVCVNR-UHFFFAOYSA-N 437.821 3.094 5 1 IGBF CCN(CC)S(=O)(=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 587265943 YKOAJZFOCRMNHH-UHFFFAOYSA-N 433.446 3.001 5 1 IGBF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cccc([N+](=O)[O-])c1)CC2=O 587472691 KQEMIWSPFBPGKX-QFIPXVFZSA-N 427.409 3.246 5 1 IGBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2cc1Cl 586946355 KWSIQAICOKCRSZ-GFCCVEGCSA-N 436.877 3.249 5 1 IGBF CCOc1cc([C@@H]2NC(=O)NC(c3ccn(C)n3)=C2c2ccsc2)cc([N+](=O)[O-])c1O 68267045 DONZBYIZBMQWPQ-KRWDZBQOSA-N 441.469 3.417 5 1 IGBF CCOC(=O)[C@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 95594738 QELGEQVUIARCQV-OPAMFIHVSA-N 444.440 3.296 5 1 IGBF CCN(CC)C(=O)/C=C/Cc1c(O)c(OC)cc2oc3cc(OC)cc(O)c3c(=O)c12 1857748513 UVLXGXVIFPBHDY-VQHVLOKHSA-N 427.453 3.342 5 1 IGBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 586920058 KUEODQWYHVGMJU-UHFFFAOYSA-N 441.219 3.116 5 1 IGBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587269549 PVWYEGLLIRXGSS-UHFFFAOYSA-N 429.332 3.156 5 1 IGBF COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 13526281 UIAJBDDQYBMSRB-JLHYYAGUSA-N 438.528 3.335 5 1 IGBF CNC1=NC(=O)[C@H]([C@@H](C)c2cn(C(=O)OCC(C)(C)[N+](C)(C)C)c3ccccc23)S1 169320541 IRGFSVOFULQTKT-KSSFIOAISA-O 431.582 3.432 5 1 IGBF COCCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 82147958 QNMKXCNPMFJIJE-HZPDHXFCSA-N 427.505 3.300 5 1 IGBF COC(=O)c1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1OC 587270300 UYJFYTNLXOAWLO-UHFFFAOYSA-N 438.440 3.286 5 1 IGBF CCCC(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 210463176 ZTAIKLJDLNBOGF-UHFFFAOYSA-N 430.408 3.032 5 1 IGBF CN(C)CCCCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085550 HWOHAQGFWGJMTP-GOSISDBHSA-N 446.529 3.208 5 1 IGBF O=C(NCc1ccco1)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 103765558 YMMUYVVSLVQQMG-URXFXBBRSA-N 446.463 3.109 5 3 IGBF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCC(C)(C)N(C)C 82082690 BFODKHLYSYXLHK-QGZVFWFLSA-N 448.545 3.356 5 1 IGBF CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1cccc(I)c1 653903451 ZKYYRZLLBBKBDY-UHFFFAOYSA-N 434.211 3.363 5 1 IGBF COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1C[C@@H](O)C(C)(C)O 14727636 GRTNCNHXAJFUAQ-GOSISDBHSA-N 444.480 3.255 5 1 IGBF biogenic,in-vitro CC(C)(C)OC(=O)Cn1cnc2cc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc21 45231356 UZTJJGMXYDJDKU-UHFFFAOYSA-N 441.400 3.447 5 1 IGBF Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)c2ccccc2C(=O)c2c1ccc(C)c2[N+](=O)[O-] 963528533 TXXBOGQOFNUVQC-DFBJGRDBSA-N 444.443 3.352 5 1 IGBF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc(OCCCC(=O)O)ccc1[N+](=O)[O-] 963614792 YSYDWGSFXKWLKO-WHEQGISXSA-N 430.457 3.479 5 1 IGBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(I)cnc(Cl)c2[nH]1 587267843 HAOWMIGJWJMDNZ-UHFFFAOYSA-N 446.636 3.492 5 1 IGBF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OC[C@H]1CCCN1C 82082707 QDGVWVIUHONHIE-KDOFPFPSSA-N 446.529 3.110 5 1 IGBF CC(C)CCNC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 253994903 FWFLWDPOEUMHFK-URXFXBBRSA-N 436.512 3.362 5 3 IGBF CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2c([N+](=O)[O-])cnc2C)CC1 27978455 WUIYBUYZNDCVHR-UHFFFAOYSA-N 429.521 3.024 5 1 IGBF CC(=O)Oc1ccccc1Cn1c(C)c(C(=O)NCc2cccc([N+](=O)[O-])c2)sc1=O 61906086 NCRLUXPITNSCCI-UHFFFAOYSA-N 441.465 3.030 5 3 IGBF CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 767550 CUKBNHMSLUKHDT-IEBWSBKVSA-N 431.876 3.475 5 1 IGBF CCOCCN(CCOCC)C(=O)c1cnc(N(C)CC)nc1-c1cccc([N+](=O)[O-])c1 82135479 QPLRQNUJJNFZGY-UHFFFAOYSA-N 445.520 3.023 5 1 IGBF CCOC(=O)[C@@]1(C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1c1cc(OC)c(OC)c(OC)c1 95596545 ALYBUDFOVXUZEB-PEBXRYMYSA-N 444.440 3.296 5 1 IGBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(-n3cnnn3)cc2[nH]1 587053420 FAFRVURUSIQRKC-QGZVFWFLSA-N 440.851 3.227 5 1 IGBF CCOC(=O)CNC(=O)[C@H]1[C@@H](c2ccc(Cl)nc2)[C@@H]2CC[C@@H]1[N+]2(C)Cc1ccccc1 100046377 HIBNEWHCBIJYJJ-XDAFUVMZSA-O 442.967 3.306 5 1 IGBF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587230094 FHPCXEOFCQMWSV-NEPJUHHUSA-N 425.283 3.270 5 1 IGBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)ncc2[nH]1 587263832 GFWYWKQTTPEAKP-NXSYQRQQSA-N 426.311 3.327 5 1 IGBF NC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084548 GZQLARZOPNXWKG-MRXNPFEDSA-N 442.522 3.235 5 1 IGBF O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085204 ZETZRWRDJWOWOP-QGZVFWFLSA-N 426.454 3.232 5 1 IGBF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4049331 CGMJBHMMSCBMOG-MJWYBRSISA-N 430.892 3.406 5 1 IGBF COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC 4081374 HDCNGPHICNPIKH-PKOBYXMFSA-N 433.848 3.445 5 1 IGBF CC(C)[C@]1(n2cc(-c3cc([N+](=O)[O-])ccc3O)nn2)Oc2cc3oc(=O)ccc3cc2C1=O 473086019 GIUFHJVWYOTYET-QFIPXVFZSA-N 448.391 3.249 5 1 IGBF COC(=O)c1cc(Cl)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 587263786 DVSIXSQWBHMUNX-ANRSDYALSA-N 449.807 3.353 5 1 IGBF C[C@H]1CN(Cc2ccc3nc4ccc(CN5C[C@@H](C)N[C@H](C)C5)cc4nc3c2)C[C@H](C)N1 169322334 BYJBPPWENBJCFG-XLLXOSNRSA-N 432.616 3.147 5 1 IGBF CN1CCC(NC(=O)c2ccc(Nc3ncc([N+](=O)[O-])c(NC4CCCC4)n3)cc2)CC1 299864966 SHSZAMVIYLNZHA-UHFFFAOYSA-N 439.520 3.307 5 1 IGBF CNc1ccc([C@@]2(c3ccccc3C(=O)O)NCCc3c(C(=O)O)cccc32)cc1[N+](=O)[O-] 963123414 OXUOJCRWMNOZPM-XMMPIXPASA-N 447.447 3.471 5 1 IGBF O=C(O)CC[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962969169 PSABSJPGYIRROE-KUHUBIRLSA-N 440.786 3.234 5 1 IGBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1[N+](=O)[O-] 586941778 WNVFXCWLSPDBQD-UHFFFAOYSA-N 435.531 3.364 5 1 IGBF CCOc1cc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc([N+](=O)[O-])c1O 962964986 KKLSQKGQFYPZHT-MEDUHNTESA-N 428.775 3.319 5 1 IGBF C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 13840031 CLTMQJVHEPMOKF-NSHDSACASA-N 432.376 3.278 5 1 IGBF COC(=O)c1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2n1 587053074 ARTYZYFTSVVDDM-HNNXBMFYSA-N 431.836 3.433 5 1 IGBF Cc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174576 GOHZBSWVZFXFRP-OAHLLOKOSA-N 438.513 3.494 5 1 IGBF CN(C)CCNC(=O)c1ccc2c3c1nc1ccc(N)cc1c3[nH]n2CCN1CCCCC1 26992472 DMVUHANOQXQZLL-UHFFFAOYSA-N 447.587 3.030 5 1 IGBF CCOC(=O)N1C(=O)N(C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1C 96272061 WRSFXMVDUKDKJP-OAHLLOKOSA-N 435.389 3.134 5 1 IGBF CCCCCO[C@@H](CNC(=O)CCCCC)CO[P@](=O)(O)OCC[N+](C)(C)C 26729500 JFDOZTBUZKLJNG-SFHVURJKSA-O 425.527 3.098 5 1 IGBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cnc2[nH]1 587264333 LRTWTFKSASMSEV-FUXBKTLASA-N 437.210 3.071 5 1 IGBF CS(=O)(=O)c1cc(-c2nc3ccc(Br)nc3[nH]2)cc([N+](=O)[O-])c1Cl 586924573 CDAQSRGBOHLQQE-UHFFFAOYSA-N 431.655 3.353 5 1 IGBF O=C1c2c(c3c4cc(O)ccc4[nH]c3c3cc4ccccc4cc23)C(=O)N1C(CO)CO 28523823 QGWMGHDTNQQMKH-UHFFFAOYSA-N 426.428 3.282 5 1 IGBF C[N+](C)(C)CCO[P@](=O)(O)OCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2 28651114 CLCMHRKZAQDVBS-UHFFFAOYSA-O 431.534 3.472 5 1 IGBF COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCC(F)(F)F)n2)cc1[N+](=O)[O-] 82195443 DMYXWSPQWKESGO-LBPRGKRZSA-N 430.408 3.374 5 1 IGBF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc12 587038399 SHIQBSPXAUUOEY-QMMMGPOBSA-N 429.418 3.127 5 1 IGBF CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])nc2c1 587259355 DDJBOGBLQCBURK-ZMLRMANQSA-N 438.278 3.163 5 1 IGBF O=[N+]([O-])c1ccc(CN2C[C@@H](N3CCC(Cc4ccccc4)CC3)CS2(=O)=O)cc1 61923703 VABAYAIZYVCZML-JOCHJYFZSA-N 429.542 3.064 5 3 IGBF NS(=O)(=O)c1cc([N+](=O)[O-])c(N(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1 58591274 JEKCIRWJJLKFLM-UHFFFAOYSA-N 442.453 3.357 5 1 IGBF Cc1cc2[nH]c(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2cc1[N+](=O)[O-] 586942597 NPRQSRXCLICJML-UHFFFAOYSA-N 439.497 3.477 5 1 IGBF O=[N+]([O-])c1ccc(CN2C[C@H](N3CCC(Cc4ccccc4)CC3)CS2(=O)=O)cc1 61923704 VABAYAIZYVCZML-QFIPXVFZSA-N 429.542 3.064 5 3 IGBF C/N=C(\C[N+](=O)[O-])N/N=C/[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 13757554 MNAILDGHJMTRET-XGEGMYPXSA-N 434.581 3.002 5 1 IGBF C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccc(C(F)(F)F)c1 13863135 DBGOIFJIQXMMCW-NSHDSACASA-N 432.376 3.278 5 1 IGBF O=[N+]([O-])c1cccc([C@H]2C[C@H]3[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4C3CC3)[C@@H](O6)[C@H]2O)c1 26833549 HEMSOMFJCRMPBM-SSFYISIOSA-N 434.492 3.257 5 1 IGBF COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H]([C@@](C)(O)COC(C)=O)O2 45495008 STIQDYIDNKKRHH-GJZUVCINSA-N 447.487 3.471 5 1 IGBF O=C(N[C@H](COCc1ccccc1)C(=O)O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085939 JAOBIVLRSYHAIM-OAHLLOKOSA-N 427.438 3.118 5 1 IGBF COc1ccc2c(c1OC)C[N@+]1(CCCC(=O)O)CCc3cc4c(cc3[C@H]1C2)OCO4 1857548455 KWQBZMUQOCKZSF-CLOONOSVSA-O 426.489 3.468 5 1 IGBF CCc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174571 FGQDVLGYRPPHOF-CQSZACIVSA-N 438.513 3.439 5 1 IGBF O=[N+]([O-])c1cccnc1NCc1nc2c(I)cnc(Cl)c2[nH]1 587268854 MFWCWNZNXSZTNF-UHFFFAOYSA-N 430.593 3.131 5 1 IGBF COc1cc2c3c(c1)O[C@@H](c1ccc(OCn4cc([N+](=O)[O-])cn4)c(OC)c1)[C@@H](C2)C3=O 587434404 UPMHJLPQRKNSBG-AOMKIAJQSA-N 437.408 3.334 5 1 IGBF COc1ccc(-c2ccc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1[N+](=O)[O-] 1772654776 RIOCMSYWSTUFSK-UHFFFAOYSA-N 437.412 3.401 5 1 IGBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)O2 26480199 NUKDCOSOCIMEOE-DHIUTWEWSA-N 439.464 3.407 5 1 IGBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 66258594 YPPDQFAHJHMMNO-AWEZNQCLSA-N 437.334 3.125 5 1 IGBF COc1c(NS(=O)(=O)c2ccccc2)cc2oc3cccc(OC)c3c(=O)c2c1O 1857642061 MXWAGDMLMXFGDH-UHFFFAOYSA-N 427.434 3.470 5 1 IGBF CCN(CC)CC(=O)N[C@@H]1Cc2c(cc(OC)c3c(=O)c4ccccc4oc23)OC1(C)C 28705865 KSEKLLZKYDCRDM-HXUWFJFHSA-N 438.524 3.495 5 1 IGBF COc1ccccc1N1CCN(CCn2cnc3c(cnc4ccc(C)cc43)c2=O)CC1 72107912 HEYCDHBSUHXXRF-UHFFFAOYSA-N 429.524 3.084 5 1 IGBF COC(=O)c1ccnc2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12 587054307 JQSPGRHRFRJJFK-CQSZACIVSA-N 431.836 3.433 5 1 IGBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(I)cnc(Cl)c2[nH]1 587273041 CXXYBSDTUXKLAP-ZCFIWIBFSA-N 432.609 3.124 5 1 IGBF CCOCCN(CCOCC)C(=O)c1cnc(N(C)CC)nc1-c1ccc([N+](=O)[O-])cc1 82149030 SZRNPHFPOFGMLX-UHFFFAOYSA-N 445.520 3.023 5 1 IGBF COC(=O)[C@@]1(Cc2c(C)[nH]c3cc([N+](=O)[O-])ccc23)CN(C(=O)OC(C)(C)C)CCC1=O 587648395 DMUUCTNYAQHTRT-QFIPXVFZSA-N 445.472 3.296 5 1 IGBF Cc1nc(C(=O)NC2CCOCC2)sc1[C@@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1 13478230 BDZJLYKIGPCLHP-HXUWFJFHSA-N 430.486 3.308 5 3 IGBF Cc1ccc2c(c1)=C(c1ccc([N+](=O)[O-])cc1)NN=C(c1ccc(Br)cc1)N=2 104233123 PHPBQYCNSBJTOO-UHFFFAOYSA-N 435.281 3.407 5 3 IGBF NCc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2[N+](=O)[O-])cc1 96168014 OZTLEWDJVDBJTG-UHFFFAOYSA-N 441.469 3.498 5 1 IGBF CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4052656 CUKBNHMSLUKHDT-PKOBYXMFSA-N 431.876 3.475 5 1 IGBF CN(C)CCCCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085439 KMWWGCGRYRAYOO-GOSISDBHSA-N 446.529 3.208 5 1 IGBF COCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 2483170 FTUGEPAVKYMAHW-UHFFFAOYSA-N 445.403 3.449 5 1 IGBF CCOC(=O)c1cc2cc(NC(=O)CNC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2[nH]1 95573355 OHOBZAOMUVABGR-UHFFFAOYSA-N 425.401 3.013 5 1 IGBF O=C(Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12)c1ccccc1 34800803 LKQCFBQISOCGIY-UHFFFAOYSA-N 426.392 3.194 5 1 IGBF COc1ccc([C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1Cn1cc([N+](=O)[O-])cn1 963614686 YMUCGZNNVJSABM-FATZIPQQSA-N 438.484 3.489 5 1 IGBF CC(C)CCNC(=O)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 59878649 CTRKQUBNIIMGIZ-ZJSXRUAMSA-N 436.512 3.362 5 3 IGBF Cc1cc(O)c(-c2csc(N3C(=O)CS[C@H]3c3cccc([N+](=O)[O-])c3)n2)c(=O)o1 98083756 DIVZOFSPGMOTBM-INIZCTEOSA-N 431.451 3.464 5 1 IGBF O=[N+]([O-])c1cc[n+]([O-])c(NCCCCCCCCCCNc2cc([N+](=O)[O-])cc[n+]2[O-])c1 13740385 WYPGEDLBGWRXQD-UHFFFAOYSA-N 448.480 3.415 5 1 IGBF C[C@H]1CCCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cn(C)cc2[N+](=O)[O-])C1 27101099 MPYZQAMQBYHHOH-LBPRGKRZSA-N 428.420 3.311 5 1 IGBF CCN(C)C(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccc([N+](=O)[O-])cc1 82150315 DPUYIAWOOZMQKO-UHFFFAOYSA-N 435.440 3.485 5 1 IGBF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O 587389632 MFLRVAPRLRHRIK-APPDUMDISA-N 430.413 3.443 5 1 IGBF CCCOc1cc(COc2c(Cl)cc(CN=c3nn[nH][nH]3)cc2OC)ccc1[N+](=O)[O-] 473151284 PBTRVUCLYLFYCM-UHFFFAOYSA-N 448.867 3.172 5 1 IGBF O=C(NCCC1CCN(C[C@@H]2COc3ccccc3O2)CC1)c1ccccc1[N+](=O)[O-] 13813583 XTQFNJSMJJDQSD-GOSISDBHSA-N 425.485 3.267 5 1 IGBF O=C(c1ccc(Cl)s1)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)s2)CC1 40847900 PXZBILLNAAUYQC-UHFFFAOYSA-N 425.879 3.384 5 1 IGBF Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587274773 LZOQKIORXMCDDU-UHFFFAOYSA-N 432.849 3.326 5 1 IGBF O=[N+]([O-])c1c(Br)ccc2nc(-c3nccnc3I)[nH]c12 587186705 PPXSPRHBSYLANL-UHFFFAOYSA-N 446.002 3.295 5 1 IGBF Cc1onc(-c2nc3nccc(Br)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079024 FFALRAXQRRLEKU-UHFFFAOYSA-N 438.629 3.490 5 1 IGBF NC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084614 LKCLASVSIDFGRV-HNNXBMFYSA-N 442.522 3.235 5 1 IGBF O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1[N+](=O)[O-] 586953995 XAYDRYFCVQGOAM-UHFFFAOYSA-N 446.426 3.304 5 1 IGBF C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccc(C(F)(F)F)c1 26377778 DBGOIFJIQXMMCW-LLVKDONJSA-N 432.376 3.278 5 1 IGBF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cccc([N+](=O)[O-])c4[nH]3)cccc12 586942948 RVPWYPOLIYGKPZ-UHFFFAOYSA-N 425.470 3.169 5 1 IGBF O=C(NCc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1 1857559658 BZWUDSBHNSFYJD-UHFFFAOYSA-N 443.456 3.142 5 1 IGBF C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4049332 CGMJBHMMSCBMOG-VIZZQPHQSA-N 430.892 3.406 5 1 IGBF CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OC[C@@H]1CCCN1C 82082499 BCMVXUILSADUEG-FUHWJXTLSA-N 446.529 3.110 5 1 IGBF CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82174514 XPXNZQQNFCUPFF-UHFFFAOYSA-N 438.513 3.461 5 1 IGBF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2)o1 586923387 JXECIBUVQXQUSG-UHFFFAOYSA-N 431.405 3.197 5 1 IGBF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2ccc(I)c([N+](=O)[O-])c2)N1 962926682 ZBMPRDDLVFEJLQ-SWLSCSKDSA-N 442.184 3.027 5 1 IGBF Cc1onc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080603 WZFSUOUYAXBRNK-UHFFFAOYSA-N 430.808 3.494 5 1 IGBF C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4049330 CGMJBHMMSCBMOG-GMVOTWDCSA-N 430.892 3.406 5 1 IGBF CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N/C(=O)c1ccco1 59947182 TWPNACVHBBQPOU-YYADALCUSA-N 448.479 3.124 5 1 IGBF CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586949854 CXZCCAPYWOZASH-UHFFFAOYSA-N 425.264 3.196 5 1 IGBF COCCNc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2cccc([N+](=O)[O-])c2)n1 82135851 STAAGULKJUVWII-UHFFFAOYSA-N 439.447 3.222 5 1 IGBF O=[N+]([O-])c1ccc(-c2cc(O)n(-c3nn(-c4ncccn4)cc3Br)c2O)cc1 587942058 YWWHPNOJERBNIG-UHFFFAOYSA-N 443.217 3.202 5 1 IGBF O=C(Nc1nc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cs1)c1cccc(O)c1 587020133 YBBUIXWUCNSHIX-UHFFFAOYSA-N 440.397 3.385 5 1 IGBF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587230096 FHPCXEOFCQMWSV-NWDGAFQWSA-N 425.283 3.270 5 1 IGBF O=C(Nc1ccc(-c2ccc(C(F)(F)F)nc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 73197363 GMACDTVVZITTBB-AWEZNQCLSA-N 448.361 3.455 5 1 IGBF COc1ccc2c(c1OC)C[N@@+]1(CCCC(=O)O)CCc3cc4c(cc3[C@H]1C2)OCO4 1857548457 KWQBZMUQOCKZSF-KBMIEXCESA-O 426.489 3.468 5 1 IGBF COC(=O)C1=CO[C@@H](C)[C@@H]2C[N+]3(C)CCc4c([nH]c5cc(OC)c(OC)cc45)[C@@H]3C[C@H]12 14685449 JKAHCWANEVETGT-AYUPBQRYSA-N 427.521 3.341 5 1 IGBF COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086184 UDKQPPXZRZORMF-MRXNPFEDSA-N 441.465 3.207 5 1 IGBF NCCOCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587245428 RQWQYNYLHUXWAJ-UHFFFAOYSA-N 445.431 3.320 5 1 IGBF CCOC(=O)Cc1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1 586927689 VMKBYSGQDLKZDD-UHFFFAOYSA-N 437.861 3.301 5 1 IGBF Cc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 1857748773 RUQKNUQMCHWTTL-UHFFFAOYSA-N 439.493 3.312 5 1 IGBF COC(=O)c1cc(Cl)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 587263791 DVSIXSQWBHMUNX-VXJOIVPMSA-N 449.807 3.353 5 1 IGBF COCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 2480927 RMAICNLYXMPLAG-UHFFFAOYSA-N 441.396 3.030 5 1 IGBF N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12 29340443 SUPMQZHXLRITGB-XABOCNADSA-N 435.525 3.291 5 1 IGBF O=C1CC2(CCCC2)Oc2cc(OC[C@@H](O)CNc3ccc([N+](=O)[O-])cc3O)ccc21 95589768 HPZFKSYYBYDUCE-HNNXBMFYSA-N 428.441 3.430 5 1 IGBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)ccnc2[nH]1 587264047 JFSFCTWTDHXAAW-MADCSZMMSA-N 437.210 3.071 5 1 IGBF COc1cc(-c2nnc([S@](=O)Cc3cccc([N+](=O)[O-])c3)s2)cc(OC)c1OC 29123329 YMXOXRQUIWRREW-LJAQVGFWSA-N 435.483 3.447 5 1 IGBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)[C@H](O)[C@H](C(C)(C)O)O4 14586279 INYICHQLUHYLEX-JTHBVZDNSA-N 442.464 3.440 5 1 IGBF biogenic O=C(O[C@H](Cn1ccnc1)c1ccc(F)cc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 169352590 XXRMPOPREBBDOA-LJQANCHMSA-N 440.435 3.026 5 1 IGBF CN(C)S(=O)(=O)c1ccc(OCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 586931632 GYKTVOAZMPYXRL-UHFFFAOYSA-N 433.493 3.489 5 1 IGBF C=Cc1nc(=N)[nH]c(=NCCCCN=c2c3ccc(Cl)cc3[nH]c3ccc(OC)cc23)[nH]1 1857638703 RSOOXYIMZUYFMM-UHFFFAOYSA-N 449.946 3.439 5 1 IGBF CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)N[C@@H]1CCCC[C@H]1O 775524 RJULQPBDDZYMSH-TZMCWYRMSA-N 431.445 3.309 5 1 IGBF CCOC(=O)C1=CN[C@@H](C(=O)OCC)[C@H]1c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-] 1650880 CRRGETQFRZIOJY-QZTJIDSGSA-N 433.848 3.104 5 1 IGBF O=C(CN1CCCC1)Nc1cc2nc(CN3CCCC3)[nH]c2c2c(=O)c3ccccc3oc12 29056721 RWPYTMAGCRVGRS-UHFFFAOYSA-N 445.523 3.453 5 1 IGBF CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1C[C@@H](O)COc1ccccc1[N+](=O)[O-] 40762974 GYQHSZGKNBWBPL-MRXNPFEDSA-N 441.440 3.084 5 1 IGBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)ccnc2[nH]1 587264046 JFSFCTWTDHXAAW-KRTXAFLBSA-N 437.210 3.071 5 1 IGBF C[C@]1(CN2CCc3nc(-c4ccc(F)c(F)c4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857616600 KEMCZZUWLWZWGH-NRFANRHFSA-N 427.411 3.341 5 1 IGBF Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 28477889 QIGGSNZJUZPADQ-RTBURBONSA-N 448.431 3.399 5 1 IGBF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 82134628 KBRZEZZMYYWQEK-DNVCBOLYSA-N 425.489 3.197 5 1 IGBF COC(=O)[C@]1(Cc2c(C)[nH]c3cccc([N+](=O)[O-])c23)CN(C(=O)OC(C)(C)C)CCC1=O 587648276 BCSADCWECXWDPF-JOCHJYFZSA-N 445.472 3.296 5 1 IGBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 587944615 FHFWLNWOFUPMLS-UHFFFAOYSA-N 438.419 3.195 5 1 IGBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCCCO3 587266895 QCUSWKPJJSNOEW-XTZNXHDOSA-N 429.389 3.075 5 1 IGBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCOC 4214038 YYQOXZSSDUQFAB-VQTJNVASSA-N 435.477 3.490 5 1 IGBF O=C1Nc2c([N+](=O)[O-])cccc2[C@]12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962948552 BXQCZNLOZKTSFQ-FQEVSTJZSA-N 433.386 3.461 5 1 IGBF O=C(N[C@@H](COCc1ccccc1)C(=O)O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085938 JAOBIVLRSYHAIM-HNNXBMFYSA-N 427.438 3.118 5 1 IGBF CCCCOCCCNC(=O)CN(C)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82089348 YOFBXKFERZAAAX-UHFFFAOYSA-N 434.518 3.113 5 1 IGBF Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1[N+](=O)[O-] 101024411 QIGGSNZJUZPADQ-OALUTQOASA-N 448.431 3.399 5 1 IGBF CC(C)(C)C(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 210463131 OJBJGHUGQIFFKG-UHFFFAOYSA-N 444.435 3.278 5 1 IGBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2nn(C)cc2[N+](=O)[O-])N1 587753990 XKJSNTPNECSLDE-IBHFXZBTSA-N 438.301 3.083 5 1 IGBF COc1ccc(CCn2c(=O)c3ccccc3c3nc4ccc(NCCO)cn4c32)cc1 103232295 CYHUXURZLLLNLH-UHFFFAOYSA-N 428.492 3.458 5 1 IGBF O=C(O)c1cc(Br)cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587093185 XZZVLCOUMYVCCQ-UHFFFAOYSA-N 434.128 3.358 5 1 IGBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cn3cccn3)c2c1 587620723 FWZBZMRABSJZAU-UHFFFAOYSA-N 441.469 3.439 5 1 IGBF CCOC(=O)Cc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 587266392 LGOPVYAFXXGSDK-NSPYISDASA-N 443.416 3.019 5 1 IGBF N[C@@H](CCc1nc2ccc(Br)c(F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271044 YAMVMJCVYIMKIM-LBPRGKRZSA-N 436.241 3.271 5 1 IGBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)O2 3813886 NUKDCOSOCIMEOE-GOTSBHOMSA-N 439.464 3.407 5 1 IGBF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1ccco1 82082152 AFXGPUZWLKLFTG-KRWDZBQOSA-N 428.470 3.382 5 1 IGBF CCOC(=O)[C@@H](C(C)=O)[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O 40916537 UHJCEKZGXKWYDC-ROUUACIJSA-N 425.393 3.307 5 1 IGBF O=C(CCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)Nc1nc2ccccc2s1 1857587504 JYHZFNFACIQFFM-UHFFFAOYSA-N 425.514 3.351 5 1 IGBF Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)N[C@H](C(=O)O)Cc2cccc(F)c21 962900635 JCWRRPKKEUFMGH-SIKLNZKXSA-N 425.391 3.346 5 1 IGBF COc1ccc(-c2nc(NCCNc3ccc([N+](=O)[O-])cn3)ncc2-n2ccnc2)cc1 1772602678 RXHBMRRSTAVFLM-UHFFFAOYSA-N 432.444 3.165 5 1 IGBF C[C@H]1CCCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cc([N+](=O)[O-])cn2C)C1 27100788 NGIKSNCYQQSGHF-LBPRGKRZSA-N 428.420 3.311 5 1 IGBF O=C(O)COc1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576109 MNDSPKPOZAXHSF-DENIHFKCSA-N 437.360 3.467 5 1 IGBF COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82134571 BPXYRFFHJIQDHY-IYBDPMFKSA-N 427.505 3.300 5 1 IGBF N[C@@H](Cc1ccc(I)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587184000 NGGDZOWSWFWKBF-NSHDSACASA-N 426.189 3.457 5 1 IGBF Cn1cc[n+](CCC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)c1 96258326 AXRVSGWAVJFIAY-UHFFFAOYSA-O 437.483 3.137 5 1 IGBF NC(=O)c1cc(N2CCC(c3nc4ccnc(Br)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587262992 KAYIMGSOIOFBHM-UHFFFAOYSA-N 445.277 3.112 5 1 IGBF C[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H](C)N1CCN1C(=O)CC2(CCCC2)CC1=O 13560164 BFZPCLNPQUOCAP-HDICACEKSA-N 428.533 3.203 5 1 IGBF O=c1nc(N2CCN(Cc3ccccc3)CC2)oc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857581334 IFSFWKRDTIBZGW-UHFFFAOYSA-N 434.374 3.437 5 1 IGBF C[C@H]1CCCN(C(=O)c2ccc(N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N+](=O)[O-])c2)C1 101473798 KVTSYGFNPCSKHY-LNLFQRSKSA-N 436.512 3.252 5 1 IGBF COc1cc(-c2nnc([S@@](=O)Cc3cccc([N+](=O)[O-])c3)s2)cc(OC)c1OC 29123328 YMXOXRQUIWRREW-GDLZYMKVSA-N 435.483 3.447 5 1 IGBF CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2N)C1 586955634 QMDICKMUXIFERA-UHFFFAOYSA-N 444.520 3.226 5 1 IGBF Cc1ncc([N+](=O)[O-])n1CCOc1c(Br)cc(Br)cc1C(=O)O 45391359 UQFKIUCXAOKWSZ-UHFFFAOYSA-N 449.055 3.402 5 1 IGBF O=[N+]([O-])c1cnc2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 587170459 DEXPJFBCSRKGPE-QGZVFWFLSA-N 427.417 3.073 5 1 IGBF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)[C@@H](OC(=O)c1ccccc1)C2 100645253 XFDVAPZJHKZTNE-CZYKHXBRSA-N 438.480 3.389 5 1 IGBF CC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@]1(C)NCCc2c1c(C(C)C)nn2C 962917952 MJKWCVHKPHNFEP-IERDGZPVSA-N 429.477 3.169 5 1 IGBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NC[C@H](O)CC 4212363 VVSQMMMBWHPYBY-CAYVGHNUSA-N 435.477 3.225 5 1 IGBF O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 26163430 BRJKSJCCTZEQFK-UHFFFAOYSA-N 428.533 3.206 5 1 IGBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC1 587270510 LEUQDOIOPVCRBQ-UHFFFAOYSA-N 440.372 3.307 5 1 IGBF CCOC(=O)c1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1 587263584 VNBUKZHDFBLAFB-UHFFFAOYSA-N 437.456 3.131 5 1 IGBF COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 2480261 CEZZCHBUODNCMJ-UHFFFAOYSA-N 429.360 3.161 5 1 IGBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(OC(C)C)cc3[nH]2)cc1[N+](=O)[O-] 586941961 YOGFSOINFCGPET-UHFFFAOYSA-N 436.515 3.459 5 1 IGBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(I)cc4[nH]3)nn2)c1 587270616 WUOYSGXOJGRXJZ-UHFFFAOYSA-N 432.181 3.323 5 1 IGBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587271713 GHHJVTLWLNVHRH-KBPBESRZSA-N 444.753 3.176 5 1 IGBF Cc1cc2c(cc1O)[C@@H](c1cc([N+](=O)[O-])ccc1Sc1ncccn1)N[C@H](C(=O)O)C2 963554334 UKZQRPXXAPSEKZ-LPHOPBHVSA-N 438.465 3.238 5 1 IGBF Cc1nc(C(=O)NC2CCOCC2)sc1[C@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1 13478233 BDZJLYKIGPCLHP-FQEVSTJZSA-N 430.486 3.308 5 3 IGBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587272744 PURGBFWQMUUJTK-SFTDATJTSA-N 448.435 3.083 5 1 IGBF O=[N+]([O-])c1ccc(-n2cc(CN3CCN(c4noc5cc(Cl)ccc45)CC3)nn2)cc1 653708432 AUUPAGNYBCBXJO-UHFFFAOYSA-N 439.863 3.292 5 1 IGBF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc(OCCCC(=O)O)ccc1[N+](=O)[O-] 963614793 YSYDWGSFXKWLKO-XMHCIUCPSA-N 430.457 3.479 5 1 IGBF Cc1c(I)cnn1[C@@H](C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587182129 LQZNKALWVIVQEZ-ZETCQYMHSA-N 442.173 3.098 5 1 IGBF CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc([N+](=O)[O-])c3)cc21 72112962 REOILSAXQCBFEZ-QGZVFWFLSA-N 426.425 3.424 5 1 IGBF CCCNC(=O)n1c(=O)cc2n1[C@H](c1cccc([N+](=O)[O-])c1)/C(=C(/O)OC(C)C)C(C)=N2 100861771 ZLZCHNUYOVRLRK-LAFOYAEKSA-N 443.460 3.416 5 1 IGBF O=[N+]([O-])c1cnc2nc(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)[nH]c2c1 586944457 RFALIGHPDWHOSW-UHFFFAOYSA-N 429.483 3.116 5 1 IGBF CCOC(=O)Cn1nc(-c2ccccc2)c2c(C)n(-c3cccc([N+](=O)[O-])c3)nc2c1=O 49113897 PCCYHMMLGPLHIW-UHFFFAOYSA-N 433.424 3.029 5 1 IGBF Cc1cc2cc3nc(cc4cc(C)c(cc5nc(cc1[nH]2)C(=O)[C@]5(C)O)[nH]4)C(=O)[C@@]3(C)O 256426462 KDTTYUOOJRPMSG-BJKOFHAPSA-N 430.464 3.112 5 1 IGBF COc1cc(N)c(I)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587179256 SRFJTMBRAFDQIS-UHFFFAOYSA-N 428.161 3.473 5 1 IGBF NC(=O)c1cc(N2CCC(c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263619 XBKYEJNGCHJMEL-UHFFFAOYSA-N 428.380 3.001 5 1 IGBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N1CCOCC1 4215607 RTJZTKCOAYLUOL-RTWAWAEBSA-N 449.504 3.485 5 1 IGBF COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 13975953 OHRYEADYUNDADW-NRFANRHFSA-N 430.420 3.149 5 1 IGBF NS(=O)(=O)c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1 43203439 WJKYXXHHDXZQCI-UHFFFAOYSA-N 436.280 3.169 5 1 IGBF N[C]1Sc2ccccc2N1CC(=O)c1ccc(I)c([N+](=O)[O-])c1 2356869998 IMVXDTOZCPBVBH-UHFFFAOYSA-N 440.242 3.400 5 1 IGBF