smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(CSCC(=O)N1CCOCC1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 512913747 SLZUCYOHTSSWJQ-UHFFFAOYSA-N 446.507 -0.419 5 20 IBBD CN(C)C(=O)CN1CCC(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 518319534 MZTRKQXYKOUUCQ-UHFFFAOYSA-N 441.510 -0.068 5 20 IBBD CCCNC(=O)CN1CCC(NC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 559271666 ORKDKPVQOGIGQA-UHFFFAOYSA-N 427.483 -0.037 5 20 IBBD CCCNC(=O)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611635837 MTQVCWPSWHPBID-OCCSQVGLSA-N 428.467 -0.249 5 20 IBBD COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 611656708 UULWVIGCBHZVDE-CJNGLKHVSA-N 439.450 -0.260 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 1790650830 HBTCFODZSHOSBR-ZOBUZTSGSA-N 444.448 -0.367 5 20 IBBD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)no1 1837800154 XQQNHRRFBVQDRX-GOSISDBHSA-N 434.409 -0.073 5 20 IBBD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848164717 SMFJNXSCJHKATE-KCQAQPDRSA-N 438.441 -0.164 5 20 IBBD CN(CCN(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 748840482 LCALNBNECTXNQA-UHFFFAOYSA-N 448.392 -0.557 5 20 IBBD O=C(Cc1cnccn1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832793975 XDBPUHBFMCKAHE-IBGZPJMESA-N 445.436 -0.720 5 20 IBBD N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1)c1ccccn1 1835700990 XXMDPUXYEJQJKD-AUUYWEPGSA-N 445.436 -0.517 5 20 IBBD CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]cc4[N+](=O)[O-])CCO3)C2)n(C)n1 1837797079 QFYRQSSOJRYDBM-IBGZPJMESA-N 447.452 -0.002 5 20 IBBD CO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1840211485 DMTGCPLEEKGNHM-LIRRHRJNSA-N 438.437 -0.752 5 20 IBBD O=C(N[C@H](CO)[C@H]1CCCO1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 468634161 ASCOJTHJNZVRJH-RJZRQDKASA-N 429.451 -0.625 5 20 IBBD Cn1cnc([N+](=O)[O-])c1CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 476667249 KBULIBQIVQYTES-UHFFFAOYSA-N 444.495 -0.518 5 20 IBBD CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 523057501 MEGOWTUFZATWSV-UHFFFAOYSA-N 435.437 -0.025 5 20 IBBD COCCn1ccc(NC(=O)C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 541729240 GILGYLLMNXKNJW-UHFFFAOYSA-N 425.423 -0.034 5 20 IBBD CNS(=O)(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])c(N3CC[C@H](S(=O)(=O)NC)C3)n2)C1 570580654 ZUEUXERKISSMMO-RYUDHWBXSA-N 448.527 -0.754 5 20 IBBD COc1ccc(OCCOC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c([N+](=O)[O-])c1 744490284 VUKJPFYKYJBTRX-UHFFFAOYSA-N 433.377 -0.027 5 20 IBBD Cn1c(=O)c2nc(COC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2n(C)c1=O 784996675 PBPCIXIDDJNRJF-UHFFFAOYSA-N 430.377 -0.268 5 20 IBBD Nc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 854570848 QMXRPICYSJTGLM-ZDUSSCGKSA-N 426.451 -0.335 5 20 IBBD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 1779600342 FCQDETZSKOAFKI-WHWRDJHUSA-N 437.457 -0.108 5 20 IBBD O=C(CCc1ccc(O)nn1)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1782635714 KRMZNACAHRURPA-SFHVURJKSA-N 431.409 -0.110 5 20 IBBD O=C(O)CSCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1783953042 PEMNKPYNDWUIOH-MRXNPFEDSA-N 427.439 -0.561 5 20 IBBD Cn1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C[C@@H]32)cn1 1791667698 XWXWSRDBKLNRRZ-XIRDDKMYSA-N 431.453 -0.253 5 20 IBBD Cc1cc(C)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)n1 1794117932 RIGAETUWWSCVSI-CCWDJLKJSA-N 431.453 -0.106 5 20 IBBD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1)n1ccnn1 1832799623 AAXKOWGZLSEWMM-KBXCAEBGSA-N 448.440 -0.900 5 20 IBBD O=C(COCCO)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 1839195967 AIJFPTRQKPAMDO-IBGZPJMESA-N 441.412 -0.187 5 20 IBBD O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 472572314 ZOUCVJDTMYVMIS-UHFFFAOYSA-N 445.429 -0.606 5 20 IBBD Cc1ccc(C)c(S(=O)(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1[N+](=O)[O-] 480691225 VJGOWUAVCGUXJO-UHFFFAOYSA-N 438.466 -0.137 5 20 IBBD C[C@H](O)CN1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 487151512 DAQPZFBMRUWKMP-KGLIPLIRSA-N 429.499 -0.030 5 20 IBBD CN1CCN(S(=O)(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 506055603 FVQNQXXYNFZJCB-UHFFFAOYSA-N 447.539 -0.388 5 20 IBBD COC(=O)CN(CCN1CCOCC1)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 518890478 JHEGMFCNSSSJLO-UHFFFAOYSA-N 429.451 -0.054 5 20 IBBD CN(CC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609987193 JZWWOFAKLNJDGS-GFCCVEGCSA-N 434.496 -0.245 5 20 IBBD NC(=O)CC[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781538794 DNIAAGOZVOMOCZ-DJJJIMSYSA-N 435.437 -0.663 5 20 IBBD Cc1cnn(CC(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c1 1782783700 IPUCMAADPJOGKX-FQEVSTJZSA-N 444.448 -0.208 5 20 IBBD N=C(N)NCC(=O)N1CCO[C@@]2(CCN(C(=O)CSc3ccccc3[N+](=O)[O-])C2)C1 1783781235 NNPXMOMWLLUDBS-GOSISDBHSA-N 436.494 0.000 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc[nH]3)C[C@@H]21 1790651471 ZIHSTZOLDNEZNG-YDHLFZDLSA-N 430.421 -0.227 5 20 IBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)c1csnn1 1793501821 XHARKQSOJUDZOR-QHBPRCKVSA-N 434.434 -0.489 5 20 IBBD CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C3)CC1 1797306452 RCGNOWFSUXYGIO-CCWDJLKJSA-N 448.480 -0.710 5 20 IBBD CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1nc(OC)ccc1[N+](=O)[O-])C2 1844157968 UDKVXTVQQOWYKW-AWEZNQCLSA-N 437.409 -0.120 5 20 IBBD O=C(CN1CCOCC1)N1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 500298126 ZMHOQZVAQHKHOX-KRWDZBQOSA-N 431.449 -0.297 5 20 IBBD COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 568791455 QHBCWUXMXIUGKP-HZPDHXFCSA-N 437.453 -0.425 5 20 IBBD CS(=O)(=O)NC1CC(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 619778248 COQWHWQVABSLHS-KOHJWAIASA-N 446.507 -0.056 5 20 IBBD C[C@@]1(NCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCOC1=O 810098048 IASORDFNTXSJNL-QGZVFWFLSA-N 426.451 -0.277 5 20 IBBD CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C[C@@H]21 1784411260 VODJLEJWAOCVAB-OBJOEFQTSA-N 435.437 -0.272 5 20 IBBD C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788813453 QVEUUNAWDKEVGD-OSFYFWSMSA-N 432.441 -0.161 5 20 IBBD O=C(CN1C(=O)CNC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)c1[N+](=O)[O-])C2 1793763971 WUMZDUPWCHDWAP-CULMDFNYSA-N 449.395 -0.511 5 20 IBBD NC(=O)c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1794268629 JYTWOUCEFFAIMR-DDFAGTSDSA-N 429.393 -0.671 5 20 IBBD NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c2c1OCO2 1798628108 RGHSVTOYTMRTKR-CULMDFNYSA-N 434.405 -0.208 5 20 IBBD NC(=O)CC[C@H](N)C(=O)NC[C@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@H]1c1cccnc1 1807041166 PKUVYFSNLUMKCC-WWGRRREGSA-N 444.452 -0.375 5 20 IBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1832793284 IKFLKJAUWBOKTD-PKOBYXMFSA-N 449.420 -0.426 5 20 IBBD N=C(N)SCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1835512171 HKKBKIYXTOPMDF-HNNXBMFYSA-N 427.443 -0.985 5 20 IBBD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(N)=O)CCO3)C2)ncc1[N+](=O)[O-] 1839863413 LIODTRVXDWRBJJ-LJQANCHMSA-N 435.437 -0.366 5 20 IBBD COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)CC1 1839896760 CDIGXKCHGIQZTH-KRWDZBQOSA-N 437.409 -0.659 5 20 IBBD C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1)C(=O)O 1840836788 XHJNYLQHAPLISG-UNIWTGHVSA-N 437.409 -0.721 5 20 IBBD CCS(=O)(=O)N1CC(CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 438915649 DKPJXWJJAPKELF-UHFFFAOYSA-N 434.496 -0.339 5 20 IBBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 543437979 FORMGBFYSNANDJ-CYBMUJFWSA-N 434.496 -0.127 5 20 IBBD CC(C)N1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 611668313 GTARNTKYOQNCBL-ZFWWWQNUSA-N 440.478 -0.202 5 20 IBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@]2(C1)CN(C(=O)c1cccn3c(O)nnc13)CCO2 1779378522 CSAADJDRGHQNHQ-SFHVURJKSA-N 442.392 -0.177 5 20 IBBD O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)CCN1 1782267691 VXFMBAXFFKITGM-YYFZDKIDSA-N 448.480 -0.169 5 20 IBBD CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782785492 KEBCRRWKBXMLKX-MGPUTAFESA-N 449.464 -0.499 5 20 IBBD CSCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785217302 DEIAFKLNAXCIPQ-TUUVXOQKSA-N 441.510 -0.115 5 20 IBBD Cn1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C[C@@H]32)cc1O 1785590189 NPDUHIBXXHZIHL-WHOFXGATSA-N 433.425 -0.476 5 20 IBBD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 1789390187 UMVAFOBJAFAZLK-XALPAYFRSA-N 439.425 -0.419 5 20 IBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2)c1ccc([N+](=O)[O-])c2c1OCO2 1798626535 WHXVFNPMYJRFKK-DRXBFXEBSA-N 444.404 -0.182 5 20 IBBD Cc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)cn1 1800281429 KOTVOELVPMBOAN-ZSBFGKGUSA-N 442.432 -0.242 5 20 IBBD O=C1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc([N+](=O)[O-])cc4c2OCC4)C3)CN1 1800524398 SQTBIGSMTDAZKR-FLTUCWPJSA-N 444.444 -0.131 5 20 IBBD O=C(Cn1cnnn1)NC[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1cccnc1 1807611025 IHONGJGGCYFYGS-BLLLJJGKSA-N 426.397 -0.281 5 20 IBBD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])[nH]n1)[C@H](O)N1CCOCC1 1819445122 PKNMUFPVFSYXDN-SGTLLEGYSA-N 448.440 -0.003 5 20 IBBD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)on1 1834219960 PLJGKKGNYYALBA-SFHVURJKSA-N 434.409 -0.142 5 20 IBBD CCCNC(=O)CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 23703682 XTXLXUZORQOIIK-UHFFFAOYSA-N 441.510 -0.114 5 20 IBBD CS(=O)(=O)c1ccc(NCCNC(=O)NCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1 506163142 QPPCLPDRFVENDM-UHFFFAOYSA-N 427.439 -0.142 5 20 IBBD COCCN(CCOC)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 507397267 AGLGGSLUSYSHPY-HIFRSBDPSA-N 431.467 -0.160 5 20 IBBD Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 507953285 GXABFNPNYXMOPX-UHFFFAOYSA-N 429.437 -0.102 5 20 IBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 543254752 OZNOWHKXQYOFNF-UHFFFAOYSA-N 446.420 -0.086 5 20 IBBD C[C@H](OC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)N[C@H]1CCS(=O)(=O)C1 729653675 GHLBDQCADIUETB-UWVGGRQHSA-N 427.391 -0.262 5 20 IBBD O=C1C[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)CCN1 1782788775 JVUYSMKRTRWHSK-VLIAUNLRSA-N 447.448 -0.887 5 20 IBBD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1788751485 CTHCEVNPVPPMLJ-VRKREXBASA-N 434.453 -0.538 5 20 IBBD NC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccc2ccc([N+](=O)[O-])cc21 1793214534 NIMQXXBFUFRYGO-HBCWATKFSA-N 444.448 -0.193 5 20 IBBD C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1797775487 ZDRXGGYSNKXDRI-MCYUEQNJSA-N 430.425 -0.188 5 20 IBBD O=C1NC(=O)[C@@H](CC(=O)N2CCC3(CCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)CC2)N1 1806931352 XVSDNGWZIXNUEV-CQSZACIVSA-N 447.452 -0.379 5 20 IBBD O=C(CN1C(=O)C=CC1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC2 1826317971 ATSNEPHYGVSUCW-MRVPVSSYSA-N 445.417 -0.075 5 20 IBBD CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1831276719 KKONETLWEHJIOS-IBGZPJMESA-N 436.421 -0.494 5 20 IBBD Cc1nccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)n1 1837796270 WFANANXQCUUTKY-GOSISDBHSA-N 431.409 -0.200 5 20 IBBD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1)n1ccnn1 1839708043 LKNOGEBUOZVZIH-YVEFUNNKSA-N 434.413 -0.759 5 20 IBBD C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@@H](CO)O1 469974559 GXWLOVQCDIBFCD-HOCLYGCPSA-N 442.494 -0.491 5 20 IBBD 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C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1)n1cncn1 1836508218 PXTGTWXMBYSECF-SJKOYZFVSA-N 434.413 -0.759 5 20 IBBD CS(=O)(=O)NCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 29808497 RPOIWEONDCSCRF-AWEZNQCLSA-N 434.496 -0.197 5 20 IBBD CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)cc2)CC1 492633950 WAVFCOIWOZNGPP-UHFFFAOYSA-N 429.437 -0.066 5 20 IBBD O=C(NC[C@@H]1CS(=O)(=O)CCO1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 509606719 CZPQKSATDYGRAI-UKRRQHHQSA-N 447.491 -0.322 5 20 IBBD NC(=O)[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 510454939 KCMDGJOWORENEM-INIZCTEOSA-N 439.494 -0.233 5 20 IBBD CN(C)CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 517076757 OZGDDDCQAPMDFS-UHFFFAOYSA-N 427.483 -0.504 5 20 IBBD O=C(CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC(F)(F)F 520753023 MSRLAYFRSQWBSL-UHFFFAOYSA-N 427.361 -0.149 5 20 IBBD O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 603821623 LUVVIXYGBQNION-CYBMUJFWSA-N 425.467 -0.270 5 20 IBBD CCCN(CC(=O)NC)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 610213597 HZXOPFTWSWNMDW-UHFFFAOYSA-N 441.510 -0.114 5 20 IBBD O=C(NCCNc1cnccn1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611635823 MEYGLEZDMCUQGK-JSGCOSHPSA-N 436.450 -0.263 5 20 IBBD COCCCN(C)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611644729 NFSVQDTYAPMMDB-ZBFHGGJFSA-N 444.510 -0.197 5 20 IBBD O=C(Cn1cc([N+](=O)[O-])cn1)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 913301559 IBTFNKJAEUNOLB-OCCSQVGLSA-N 430.439 -0.471 5 20 IBBD CS(=O)(=O)N1CCN(CC(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 1116264735 QWQIKOIUUMAQNO-UHFFFAOYSA-N 425.511 -0.184 5 20 IBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778734928 GTCMZMLLHOJBDP-IBGZPJMESA-N 440.420 -0.022 5 20 IBBD C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1 1779282421 BWWDYRXHLLXEGG-VLIAUNLRSA-N 447.448 -0.723 5 20 IBBD 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CN1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)C2)CC1 1781939259 VVHKJKNUAWHGHL-NRFANRHFSA-N 447.492 -0.009 5 20 IBBD Cn1ccnc1C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782782938 PEKXSXUXPXCCAL-IBGZPJMESA-N 430.421 -0.366 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncnc3)C[C@@H]21 1790651420 RMJZWKLZVCCRSP-QRTARXTBSA-N 442.432 -0.160 5 20 IBBD CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2)C(=O)O 1795645867 RQVWATSEIQJEKZ-LKQDWFRTSA-N 436.421 -0.434 5 20 IBBD Cc1nocc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800281411 HZHGCEHIMLXYMP-FVCICTRLSA-N 431.405 -0.044 5 20 IBBD O=C(CN1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1835375030 PKEQYXIUPDYUFG-LJQANCHMSA-N 436.469 -0.126 5 20 IBBD O=C(Cn1ccccc1=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838826439 FWBBQBCJPQXACL-FQEVSTJZSA-N 445.432 -0.145 5 20 IBBD O=C(C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1)N1CCOCC1 515741174 NOJWMSZONBOXFX-UHFFFAOYSA-N 446.869 -0.060 5 20 IBBD CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 609516300 AVUILUOIOYWEBV-ZDUSSCGKSA-N 443.482 -0.514 5 20 IBBD CCN1CC[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 619825377 OJXGDFUKNPEZBW-BZPMIXESSA-N 426.451 -0.544 5 20 IBBD CN(CC(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] 778124753 SANJDFRFTVRRKI-LLVKDONJSA-N 428.423 -0.413 5 20 IBBD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)n[nH]1 1780268325 YIYOSGYXSJKRFE-IBGZPJMESA-N 430.421 -0.068 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C[C@@H]21 1790652275 IQQGYGATHIPAPI-QRTARXTBSA-N 444.448 -0.298 5 20 IBBD CN(C)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)C2 1795464340 UKFCUABJIPRQRL-YWVIFJGQSA-N 432.433 -0.179 5 20 IBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)c1cc2ncccn2n1 1797377964 XATWFXUMJGCWIS-IVWMJMPLSA-N 440.420 -0.263 5 20 IBBD COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(C)=O)C3)c([N+](=O)[O-])c1 1799404244 ITAGRDWERWKJHL-YVWYUNDQSA-N 434.449 -0.128 5 20 IBBD CN(C)C(=O)C(=O)NC[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 1806939994 PWFZIRNEYZWDIA-PBHICJAKSA-N 429.437 -0.020 5 20 IBBD NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)c2nc[nH]c2[N+](=O)[O-])[C@@H]1c1cccnc1 1808366948 AYNBSBFCMPCZBX-WWGRRREGSA-N 444.452 -0.375 5 20 IBBD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1)n1ccnc1 1830973180 TUTRGFMCIZGAOT-HNAYVOBHSA-N 447.452 -0.295 5 20 IBBD Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)cnn1C 1832796405 ZEOTYFIPUAVSSI-LJQANCHMSA-N 447.452 -0.397 5 20 IBBD Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(=O)N(C)C)CCO3)cc1[N+](=O)[O-] 1835434750 LGQINXHBJISBJF-OAQYLSRUSA-N 448.476 -0.010 5 20 IBBD CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)CC3)CC1 550090143 QJSPKBIDWWEZPR-ZDUSSCGKSA-N 430.469 -0.095 5 20 IBBD CN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 559381811 CGGZGSZDBMCXLN-UHFFFAOYSA-N 439.494 -0.362 5 20 IBBD COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1OC 608964469 LVUWBTZSXFELCF-UHFFFAOYSA-N 449.424 -0.400 5 20 IBBD CCOC(=O)[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 741409728 IOWKUFOPKLOYSJ-CQSZACIVSA-N 430.439 -0.153 5 20 IBBD Nc1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] 919816088 LTKWERVXRASLPO-GFCCVEGCSA-N 432.480 -0.548 5 20 IBBD O=C1CC(C(=O)N2CC[C@@]3(CN(C(=O)Cc4ccc([N+](=O)[O-])cc4F)CCO3)C2)=NN1 1778943158 XVJFULURMKJAPA-LJQANCHMSA-N 433.396 -0.018 5 20 IBBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1793109729 NNFJNHKHDMCPRE-DZNDVPQFSA-N 444.400 -0.284 5 20 IBBD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2c[nH]c(=O)cn2)C3)ncc1[N+](=O)[O-] 1796602659 SBXZTUMDGVWMNH-DPIQGUFMSA-N 428.405 -0.101 5 20 IBBD C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829485511 JQSXHGKKRXBQMF-DJJJIMSYSA-N 436.421 -0.052 5 20 IBBD O=C(Cc1cnccn1)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1830963161 NDEHUVIOXBPOIM-SFHVURJKSA-N 431.409 -0.579 5 20 IBBD COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)C2)C1 1831033560 XLMCQZHXWHMWJA-LJQANCHMSA-N 438.437 -0.013 5 20 IBBD CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1832293190 DTSLKSSIABYECZ-GOSISDBHSA-N 438.441 -0.744 5 20 IBBD CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CCO2 1839354029 FGJRMQYVZNZFST-LJQANCHMSA-N 438.412 -0.060 5 20 IBBD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1)n1cnnn1 1840473213 JXNISUKHYHIJDZ-SJCJKPOMSA-N 435.397 -0.495 5 20 IBBD O=C(CN1CCS(=O)(=O)CC1)N1CC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1844827749 AFNZRBCSAFGGNP-UHFFFAOYSA-N 425.467 -0.530 5 20 IBBD Cc1cc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)ccc1[N+](=O)[O-] 734735173 PLMXFKSSFKOZCG-NWDGAFQWSA-N 445.475 -0.256 5 20 IBBD CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 781951490 MSKKXOXGAGSFAZ-INIZCTEOSA-N 425.467 -0.219 5 20 IBBD COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 802164952 QIZWMUGUKWTADF-VHSXEESVSA-N 429.407 -0.036 5 20 IBBD CN(C)c1c(COC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c(=O)n1C 814063898 QIMCUHMEEMQMGJ-UHFFFAOYSA-N 433.421 -0.079 5 20 IBBD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(O)O)C3)cc([N+](=O)[O-])c1OC 1799842316 PMHZIWVDFCNMEM-GNXNZQSNSA-N 425.394 -0.874 5 20 IBBD CC(C)(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1830620200 OCGGERYSMXFYLS-LPHOPBHVSA-N 439.469 -0.345 5 20 IBBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1839273355 JWRYFPDDGMDMCL-YWZLYKJASA-N 432.433 -0.102 5 20 IBBD CN(C)C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)c1[N+](=O)[O-])CCO2 1839356775 KLKYVPIGMJGPTP-LJQANCHMSA-N 438.412 -0.108 5 20 IBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840274105 URIBPRAHFOIBJF-SVGDTCPJSA-N 437.453 -0.061 5 20 IBBD O=C(NC[C@H](CO)[C@H]1CCOC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 435926873 OVEHCCWLVJODKU-NHIYQJMISA-N 443.478 -0.520 5 20 IBBD COC(=O)Cn1cc(CCN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1 448244324 YHOYTSBMUUIZBH-UHFFFAOYSA-N 438.466 -0.092 5 20 IBBD COCCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1=O 498608806 VHAXVIFNIXHBHW-CQSZACIVSA-N 440.478 -0.077 5 20 IBBD CN(CC(=O)N1CCOCC1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 522655507 ORIWFGBMHFMMKY-UHFFFAOYSA-N 429.455 -0.627 5 20 IBBD CN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 549993725 SLUVJMNOJLDVCS-UHFFFAOYSA-N 439.494 -0.362 5 20 IBBD CN(C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 611645196 YEAMSESOKNQHMV-LZWOXQAQSA-N 442.494 -0.492 5 20 IBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)CN3CCNC(=O)C3)CC2)c([N+](=O)[O-])c1 777806704 QATVOKPRNUCDGA-UHFFFAOYSA-N 425.467 -0.921 5 20 IBBD O=C(Cn1ccc([N+](=O)[O-])n1)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 919380478 UQNKRLNZOYDHLA-QWHCGFSZSA-N 430.439 -0.471 5 20 IBBD C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1781247800 LWLJSBMMSFPJNF-CWTRNNRKSA-N 434.405 -0.099 5 20 IBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccnn4)[C@H]3C2)n1 1787120584 LUUQSNNCARKBJY-YDHLFZDLSA-N 445.436 -0.117 5 20 IBBD COc1ccc([N+](=O)[O-])c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C3)n1 1797212948 OZQXRBNCAGICQF-ZSBIGDGJSA-N 449.420 -0.207 5 20 IBBD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCN(C)CC1 1798009897 SQUKXIAGCIYBAS-HGTKMLMNSA-N 435.485 -0.843 5 20 IBBD O=C(COCCO)NC[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 1808600467 MCXLSMVNXMHLPY-BEFAXECRSA-N 432.437 -0.099 5 20 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C[C@H](C(=O)N1CCOCC1)N1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 443889660 RGSZTDUCKNQESR-CYBMUJFWSA-N 427.483 -0.389 5 20 IBBD CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 510783572 YGDSTRZAAMPDFY-SMDDNHRTSA-N 436.512 -0.047 5 20 IBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccn(CC(=O)N2CCOCC2)n1 522690590 QZWLVHSGNPUNOF-UHFFFAOYSA-N 442.388 -0.115 5 20 IBBD Cn1cc(/C=C\C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O 735060739 UTLWALRPGAFYPX-FPLPWBNLSA-N 437.434 -0.900 5 20 IBBD O=C(NCCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1)c1ccc[nH]1 1779383473 NIVYQFPCZMSGQN-LJQANCHMSA-N 445.436 -0.090 5 20 IBBD O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCO2 1782970627 UNNCGFLFDIBJOM-GOSISDBHSA-N 433.400 -0.207 5 20 IBBD NC(=O)CC[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 1783437045 ZGRCILJZWARDCW-DKIMLUQUSA-N 447.492 -0.290 5 20 IBBD 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IBBD CN1CCN(S(=O)(=O)c2ccc(N3CCN(CC(N)=O)CC3)c([N+](=O)[O-])c2)CC1 532095253 JTRMUXQKLSGCMT-UHFFFAOYSA-N 426.499 -0.862 5 20 IBBD CS(=O)(=O)N1CCN(c2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cn2)CC1 609565291 WWLRQLOHEPYGTC-UHFFFAOYSA-N 436.450 -0.128 5 20 IBBD O=C(COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCCN1CCCC1=O 805155698 PDODPZNCEHIJLP-UHFFFAOYSA-N 434.405 -0.008 5 20 IBBD COc1cc(CCNS(=O)(=O)CCS(=O)(=O)N(C)C)c([N+](=O)[O-])cc1OC 820781989 RDNMUOCYIMRVTM-UHFFFAOYSA-N 425.485 -0.035 5 20 IBBD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 1318009557 OYCGJLLYRSKLEX-ZDUSSCGKSA-N 440.478 -0.193 5 20 IBBD NC[C@H](N)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2 1778001323 XLLBMAHLXKERJP-XBHMSOGKSA-N 449.464 -0.263 5 20 IBBD CCCC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1779253494 TUZJDOAQFSMWSI-AUUYWEPGSA-N 436.469 -0.074 5 20 IBBD CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786216 BTSBHCDFPNHVTD-BFUOFWGJSA-N 435.437 -0.889 5 20 IBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)c1cccnn1 1788856329 URKYFSBWTMJPSV-ZQIUZPCESA-N 442.432 -0.160 5 20 IBBD Cn1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)n1 1800282530 CBGTXBJRUQLUMZ-HBCWATKFSA-N 444.448 -0.678 5 20 IBBD Nc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)cs1 1800282783 VLGCGWRWQYKWTC-QHBPRCKVSA-N 448.461 -0.301 5 20 IBBD O=C1NC(=O)[C@H](CC(=O)N2CCCC3(CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)CC3)C2)N1 1806846868 GPDPJLDDXGYMBR-AWEZNQCLSA-N 447.452 -0.379 5 20 IBBD O=C(NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1)c1nc[nH]c1[N+](=O)[O-] 1835100641 ISFSAFBJDROHIF-UHFFFAOYSA-N 431.457 -0.205 5 20 IBBD C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1837700253 JBKYJNBNAUIRSN-DJJJIMSYSA-N 435.437 -0.316 5 20 IBBD CNC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 468727225 XLYABBYMLXKODQ-OBJOEFQTSA-N 441.466 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O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)c1cnn2ncccc12 1796274483 VQRFOHORXKDSKB-IVWMJMPLSA-N 440.420 -0.263 5 20 IBBD CN1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 1799493712 LJGSAXAQQCLBQC-CWPLJXCYSA-N 447.492 -0.249 5 20 IBBD O=C1NC(=O)[C@H](CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(F)c2[N+](=O)[O-])N1 1799632256 AJMNXKOKHREGGA-FJHTZYQYSA-N 449.395 -0.465 5 20 IBBD O=C(CN1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1835396588 XZWSXNWRIDWTHO-IBGZPJMESA-N 437.453 -0.675 5 20 IBBD COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1nc(OC)ccc1[N+](=O)[O-])C2 1844385055 ZLOGCVFBYMZLQF-CYBMUJFWSA-N 435.437 -0.034 5 20 IBBD O=C(Cn1cccn1)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 792668533 LFVCITULCFIAHP-UHFFFAOYSA-N 437.434 -0.132 5 20 IBBD C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NCCN1CCOCC1 805971322 IBXNWHSMLJZOEG-LBPRGKRZSA-N 434.405 -0.429 5 20 IBBD COC(=O)CN(C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1319976572 JDENHQKUMYWGBG-HNNXBMFYSA-N 428.467 -0.031 5 20 IBBD N=C(N)NCC(=O)N1CCO[C@]2(CCN(C(=O)CSc3ccccc3[N+](=O)[O-])C2)C1 1783781238 NNPXMOMWLLUDBS-SFHVURJKSA-N 436.494 0.000 5 20 IBBD COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1785862261 SADFRDVBTNSXAE-NOLJZWGESA-N 447.452 -0.173 5 20 IBBD CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1794278424 OGKQBTVARBCMJN-BJWYYQGGSA-N 447.496 -0.406 5 20 IBBD CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1831277473 YUWWCCTUXMHHKZ-IBGZPJMESA-N 438.412 -0.060 5 20 IBBD Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1836508294 UKHVJEJNMKXZQT-IBGZPJMESA-N 446.420 -0.391 5 20 IBBD COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]cc4[N+](=O)[O-])CCO3)C2)n(C)n1 1837794607 XMSXQODZFDSINA-GOSISDBHSA-N 449.424 -0.556 5 20 IBBD C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1840027026 FNYFMYORSWFLKW-BLVKFPJESA-N 433.421 -0.078 5 20 IBBD C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1841619324 JUAKKIFZGLIQQK-ZDUSSCGKSA-N 440.478 -0.359 5 20 IBBD Cn1cnc([N+](=O)[O-])c1N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 29853183 BNALOOHKWTYQBN-UHFFFAOYSA-N 430.468 -0.513 5 20 IBBD Cn1cc(N2CC[C@H](NC(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cn1 609794114 AKYCVRFQHRUJJK-HNNXBMFYSA-N 436.450 -0.082 5 20 IBBD O=C(CN1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1)N[C@H]1CCS(=O)(=O)C1 609836483 MJQNAMVGAQSBRH-AWEZNQCLSA-N 440.478 -0.579 5 20 IBBD CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611642374 QTLARLFWFBIDPV-OBJOEFQTSA-N 449.507 -0.342 5 20 IBBD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)n[nH]1 1782788471 ZEUHEJYVAREWQG-LJQANCHMSA-N 430.421 -0.068 5 20 IBBD COC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832793525 OPYATDKYMQOPHM-SFHVURJKSA-N 425.442 -0.327 5 20 IBBD Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)n1 1833038074 GBENWWAECMBBIE-IBGZPJMESA-N 447.452 -0.099 5 20 IBBD O=C(CN1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1835377350 RIYOVEATYIFTOZ-LJQANCHMSA-N 436.469 -0.126 5 20 IBBD Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1835626579 MLINSLQPMXINKV-QGZVFWFLSA-N 435.397 -0.420 5 20 IBBD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)n[nH]1 1837585697 OEFLAJOPVFVCBR-SFHVURJKSA-N 433.425 -0.338 5 20 IBBD O=C(c1ccc(CO)o1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837796755 GATLGGDJCAHPJO-GOSISDBHSA-N 435.393 -0.213 5 20 IBBD NC[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(F)c3[N+](=O)[O-])CCO2)C1 1839356452 CMWOHBBRTFDAFF-KSSFIOAISA-N 425.417 -0.910 5 20 IBBD CNC(=O)[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C 428146964 RJPRGIHEXCWNIY-WHOFXGATSA-N 428.467 -0.395 5 20 IBBD CC1(C)C(=O)NC(=O)N1CC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 468290561 SOMAKRSXYVUVTO-UHFFFAOYSA-N 427.439 -0.143 5 20 IBBD COC[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CC1 510877552 CQBSXKKEPDDKKU-INIZCTEOSA-N 440.478 -0.031 5 20 IBBD C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C(N)=O 586851957 LWGZDMJOHXBSQD-BYNQJWBRSA-N 426.451 -0.702 5 20 IBBD O=C(CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCS(=O)(=O)C1 603720700 CELCEBYONLVHMK-VIFPVBQESA-N 432.842 -0.004 5 20 IBBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 742048139 OYVHOYOAGONGOL-OAHLLOKOSA-N 431.492 -0.202 5 20 IBBD C[C@@H](OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1ccccc1[N+](=O)[O-] 754804180 XNMWPAGDJMWCSH-SNVBAGLBSA-N 430.377 -0.088 5 20 IBBD NC(=O)COCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 815611818 UIOJQZCYOCOWCJ-UHFFFAOYSA-N 436.162 -0.244 5 20 IBBD O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 919815809 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O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 522900940 FXSNUSKWASGGSF-CQSZACIVSA-N 447.448 -0.631 5 20 IBBD COCC[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 553008293 NNPPDZOYXATYAY-CYBMUJFWSA-N 428.467 -0.031 5 20 IBBD CN1CCN(C(=O)CCNC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 556078573 WMNNMIVEDBPCJS-UHFFFAOYSA-N 432.481 -0.476 5 20 IBBD O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 753803059 ZXPMYGBLACSSGE-GFCCVEGCSA-N 433.464 -0.425 5 20 IBBD COCCS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 915634608 AYBFXVWRXFCBQD-UHFFFAOYSA-N 435.480 -0.511 5 20 IBBD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1)N1CCN(C)CC1 1781096472 WUOWWTDXLXKGRT-AUUYWEPGSA-N 435.485 -0.603 5 20 IBBD O=C(CN1C(=O)C=CC1=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1781940059 DIOPZHPCWWOYEJ-FQEVSTJZSA-N 444.400 -0.331 5 20 IBBD NC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1782184431 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CC(=O)N(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800282802 XLQKCGGTWMGWDN-FRQROOTJSA-N 449.464 -0.787 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1O)C2 1800284130 ZVBCDROQJINOKQ-DRXBFXEBSA-N 444.404 -0.845 5 20 IBBD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@@H](N)C(N)=O)C3)ccc1[N+](=O)[O-] 1801838166 ZYDDKTSHZGBUJR-KYZVSKTDSA-N 449.464 -0.601 5 20 IBBD CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1831472911 ZDCPQJIELIDMPT-GOSISDBHSA-N 438.441 -0.697 5 20 IBBD NC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1840921402 WBUZMXVJSCRONZ-SFHVURJKSA-N 439.400 -0.528 5 20 IBBD O=C1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C(=O)N1 409532228 DEAVJENJIDMLTK-UHFFFAOYSA-N 425.423 -0.630 5 20 IBBD C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 479117355 GKCSNSHFIFHHAM-AAEUAGOBSA-N 426.451 -0.477 5 20 IBBD CN1CCN(C(=O)CCNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 609745812 PEONCAURRXAECG-UHFFFAOYSA-N 442.498 -0.664 5 20 IBBD CS(=O)(=O)Cc1nc(=NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)o[nH]1 613205095 PMWVMFLBCVBAJD-UHFFFAOYSA-N 438.422 -0.066 5 20 IBBD Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)n[nH]1 1779161623 KSJWYWBMQJJZKE-HXUWFJFHSA-N 444.448 -0.139 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779677553 MUNPXYQJYQAVLF-SFHVURJKSA-N 433.377 -0.406 5 20 IBBD COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)COCCO)C3)C2)c([N+](=O)[O-])c1 1781321148 VUQXSDXLUAVYAO-HXUWFJFHSA-N 437.449 -0.015 5 20 IBBD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]32)ncc1[N+](=O)[O-] 1787639429 WVXRCAPXJKUYCD-WSMBLCCSSA-N 448.480 -0.516 5 20 IBBD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 1788468312 CQLOJNZRVFJZBD-XALPAYFRSA-N 440.409 -0.154 5 20 IBBD O=C(CN1C(=O)C=CC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 1791394972 GOHCOCTWSANELC-OBJOEFQTSA-N 431.405 -0.559 5 20 IBBD O=C1NC(=O)[C@@H](CC(=O)N2CCCC[C@H]2c2cc(NC(=O)c3nc[nH]c3[N+](=O)[O-])n[nH]2)N1 1818074209 AENXLFPGEOIHJB-ZJUUUORDSA-N 445.396 -0.055 5 20 IBBD CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1835589210 KZHRBTDLRCROKU-POZUXBRTSA-N 438.485 -0.379 5 20 IBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840606410 GUGLEICSGXBQPA-WXSAJPJJSA-N 435.437 -0.860 5 20 IBBD C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 481688988 XBHHXNOJAAQLHP-ZIAGYGMSSA-N 443.482 -0.745 5 20 IBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 485671125 IOJIXTUDOUAKBG-CABZTGNLSA-N 439.402 -0.622 5 20 IBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 492312250 LBLXJZBQCAKVFR-UHFFFAOYSA-N 430.421 -0.053 5 20 IBBD CN(C)CCNS(=O)(=O)c1ccc(N2CCC(S(N)(=O)=O)CC2)c([N+](=O)[O-])c1 513650310 LVZRLFZHTYGQSX-UHFFFAOYSA-N 435.528 -0.308 5 20 IBBD CC[C@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)N1CCOCC1 807776900 HHCRSIOYOSQEJV-KRWDZBQOSA-N 433.465 -0.003 5 20 IBBD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2)c1nc[nH]c1[N+](=O)[O-] 1778063227 GDBYAEVPSGBVDY-BFUOFWGJSA-N 445.436 -0.298 5 20 IBBD NC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1782184434 YQUZZVPOCNKNOZ-SFHVURJKSA-N 431.409 -0.417 5 20 IBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)[C@@H]1CCCS1(=O)=O 1790747345 LMYTUFYJWDBFML-IMIFBBOLSA-N 441.466 -0.512 5 20 IBBD C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794001254 UEQMRTPBIOIGRK-NFFDBFGFSA-N 443.482 -0.938 5 20 IBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1)c1cc(=O)n2[nH]cnc2n1 1794276965 MWJNDVKDQPORSI-ZSBIGDGJSA-N 441.408 -0.526 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ncccn1)C2 1800281675 YEWWWVQOPIOGPO-HBCWATKFSA-N 442.432 -0.621 5 20 IBBD O=C(CCn1cncn1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837798815 DKRTYUQVBBFHRS-KRWDZBQOSA-N 434.413 -0.930 5 20 IBBD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1839239862 LLLNAZBMUYGJJR-IBGZPJMESA-N 447.452 -0.029 5 20 IBBD CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)CC1 1843973033 XFIGRGKDZBWKQD-UHFFFAOYSA-N 433.469 -0.841 5 20 IBBD C[C@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 557031510 XXILYACNMIORNR-ZDUSSCGKSA-N 425.467 -0.752 5 20 IBBD O=C(COc1ccc(O)nn1)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1782674600 OZAQENWJZKCYJT-KRWDZBQOSA-N 433.381 -0.664 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@H](O)C3)C[C@@H]21 1790654141 SKFHMKZRVFYNJS-JBXGNFEISA-N 434.449 -0.493 5 20 IBBD COC(OC)C(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833784820 XAZVGCSJHDRHQS-UHFFFAOYSA-N 438.485 -0.018 5 20 IBBD CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)n[nH]1 1833824095 CKABOQXUIYJAJU-SFHVURJKSA-N 447.408 -0.373 5 20 IBBD N=C(N)SCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1835653214 KWTAWKFKUUMIKF-MRXNPFEDSA-N 441.470 -0.595 5 20 IBBD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1)n1ccnn1 1836508395 ZHOGXLDESBOUTL-SJCJKPOMSA-N 434.413 -0.759 5 20 IBBD CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 498873734 MXGTYSQZORKWIZ-LBPRGKRZSA-N 431.423 -0.328 5 20 IBBD CCOC(=O)c1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc([N+](=O)[O-])c1 507917780 LONKHQGWSYXGAA-HZPDHXFCSA-N 441.462 -0.001 5 20 IBBD Cn1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)n1 1782782990 QTFUKWPFPPDEKE-SFHVURJKSA-N 431.409 -0.971 5 20 IBBD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C[C@@H]32)nn1C 1789400814 RAGVJQDSCYHVOR-MJVIPROJSA-N 433.425 -0.033 5 20 IBBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792284914 HOMLZHNJSBSHSU-NUTKFTJISA-N 448.480 -0.078 5 20 IBBD COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1833865491 UGLNYPSDPRHIKC-SFHVURJKSA-N 449.424 -0.556 5 20 IBBD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CN)CC3)CC2)ncc1[N+](=O)[O-] 1835065343 YOHAWSLOHYFPEG-INIZCTEOSA-N 433.513 -0.231 5 20 IBBD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1)n1cncn1 1838828235 VUCUKCHRCXHRMO-FZKQIMNGSA-N 433.425 -0.154 5 20 IBBD CCNC(=O)N1CC[C@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 472482568 FTWFFZZKCLXXQA-LBPRGKRZSA-N 428.471 -0.024 5 20 IBBD Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2)cn1C 490319448 NVNSEGMAMQOCSI-UHFFFAOYSA-N 426.459 -0.451 5 20 IBBD CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(=O)N[C@@H]1CCS(=O)(=O)C1 533357815 GKSJURMRUYMMPQ-SNVBAGLBSA-N 428.423 -0.503 5 20 IBBD C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1S(C)(=O)=O 537373389 ZCVOWMIHYWIVDV-LBPRGKRZSA-N 449.511 -0.452 5 20 IBBD O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 916568291 HZTHGZYYLHQVMD-ZDUSSCGKSA-N 425.467 -0.270 5 20 IBBD Cc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)cc1[N+](=O)[O-] 1781303935 PBRCIGIYOYZZBL-HRAATJIYSA-N 447.492 -0.132 5 20 IBBD CN(C)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790652421 MTHKAULKDVUTBA-ZOBUZTSGSA-N 435.481 -0.312 5 20 IBBD O=C(CCNC(=O)c1ccc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1794034234 LBHXKFCQNUQPJF-JJLQDPRZSA-N 445.436 -0.331 5 20 IBBD CC(C)(C)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1795566986 WVZUBMSUBLSHMB-ZSBFGKGUSA-N 435.481 -0.266 5 20 IBBD NC(=O)[C@@H](N)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C2 1795631407 IUXJWDPLHOZWLU-MQJTVSLUSA-N 447.492 -0.290 5 20 IBBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1802109667 LYPLEVUAUNZKBV-YBELTQMDSA-N 430.461 -0.080 5 20 IBBD N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)c2nc[nH]c2[N+](=O)[O-])[C@@H]1c1cccnc1 1808367011 CAILISZVAOXNAQ-CJNGLKHVSA-N 441.452 -0.128 5 20 IBBD CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1831186326 ZTQSVWBXOANBCC-SGTLLEGYSA-N 438.441 -0.697 5 20 IBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1832795793 GWZRYHXPCLFASK-LJQANCHMSA-N 437.453 -0.326 5 20 IBBD Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(=O)N(C)C)CCO3)cc1[N+](=O)[O-] 1835434745 LGQINXHBJISBJF-NRFANRHFSA-N 448.476 -0.010 5 20 IBBD O=C1CC(C(=O)N2CCC(OC3CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])CC3)CC2)=NN1 1838379291 AVBPIXLPJOPUOF-UHFFFAOYSA-N 433.425 -0.194 5 20 IBBD O=C(CN1CCOCC1)N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 29088592 GRACGUBTGQAOKK-UHFFFAOYSA-N 447.448 -0.677 5 20 IBBD O=C(N[C@H](CO)[C@H]1CCCO1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 468634159 ASCOJTHJNZVRJH-MYZSUADSSA-N 429.451 -0.625 5 20 IBBD C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 470365870 AOLKIRSOIVABPR-CXTNEJHOSA-N 429.451 -0.673 5 20 IBBD COC(=O)c1cn(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nn1 474347515 SCLBXCUYBAODKT-UHFFFAOYSA-N 438.422 -0.494 5 20 IBBD C[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 507372235 PPDIFPZEVOGAJK-NSHDSACASA-N 434.496 -0.415 5 20 IBBD COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 568791456 QHBCWUXMXIUGKP-JKSUJKDBSA-N 437.453 -0.425 5 20 IBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 581103141 MZIBYWGFDDOHOQ-UHFFFAOYSA-N 432.393 0.236 5 20 IBBD CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 609602622 OOSYKBBTYFDZBX-CQSZACIVSA-N 449.511 -0.404 5 20 IBBD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 609730418 YTACEQOCAYMGIJ-KRWDZBQOSA-N 439.450 -0.290 5 20 IBBD O=C(COCCO)N1CC[C@@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)CCO2 1781317640 ADXAWCQCQMVYBH-HXUWFJFHSA-N 435.433 -0.018 5 20 IBBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1782101353 PQBMAEIEDHJLQF-XOBRGWDASA-N 449.464 -0.355 5 20 IBBD COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008709 HLZMFZJPVOUCRQ-WDAIWFPHSA-N 427.439 -0.573 5 20 IBBD NC(=O)CC[C@H](N)C(=O)N1CC[C@@H](CNC(=O)c2nc[nH]c2[N+](=O)[O-])[C@@H]1c1cccnc1 1808366953 AYNBSBFCMPCZBX-XEZPLFJOSA-N 444.452 -0.375 5 20 IBBD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1)c1nc[nH]c1[N+](=O)[O-] 1808376036 PTQKEUWQABZPJN-YXWQFLTLSA-N 429.437 -0.245 5 20 IBBD O=C(CNCP(=O)(O)O)N1CCCC2(CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)C1 1809660874 QLFOEKSDUWDMNB-UHFFFAOYSA-N 444.385 -0.113 5 20 IBBD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CCOC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1830390330 KJWVLOGTFXCCAY-GOSISDBHSA-N 427.385 -0.957 5 20 IBBD NC(=O)[C@@H](N)CCC(=O)N1CC2(CCCN2C(=O)c2cc([N+](=O)[O-])cc3c2OCC3)C1 1844689703 YOXDYCWIMYTSCJ-HNNXBMFYSA-N 431.449 -0.061 5 20 IBBD O=C(CN1C(=O)CCC1=O)N1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 436226870 WXZFKPNOXFWJKZ-MRXNPFEDSA-N 429.433 -0.007 5 20 IBBD C[C@](O)(CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CN1CCOCC1 465773187 YQNFQXRCJXGLGB-KRWDZBQOSA-N 445.498 -0.745 5 20 IBBD O=C(NCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)NCc1ccc([N+](=O)[O-])cc1 498325896 MYNRZUZUJCFFLH-UHFFFAOYSA-N 448.480 -0.603 5 20 IBBD CN(C)CCCNS(=O)(=O)c1ccc(N2CCN(C(=O)CO)CC2)c([N+](=O)[O-])c1 502176770 KWGBKOPMSDOUPK-UHFFFAOYSA-N 429.499 -0.534 5 20 IBBD COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 503527689 MTEWMVQCFVJQOK-CYBMUJFWSA-N 428.423 -0.847 5 20 IBBD COc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1[N+](=O)[O-] 603872820 RSLKHANFFCDWQO-UHFFFAOYSA-N 429.455 -0.716 5 20 IBBD CN(C)C(=O)NCCN(C)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611661427 ZOYDRVZFNVUBCU-OCCSQVGLSA-N 443.482 -0.552 5 20 IBBD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2)c1ccc([N+](=O)[O-])[nH]1 1780233648 AEKYOFDFWKKSFT-JLTOFOAXSA-N 445.432 -0.025 5 20 IBBD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1)n1cnnn1 1781940760 PNTMGKCCWYBMPN-KPZWWZAWSA-N 431.409 -0.008 5 20 IBBD COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 1793999501 IJYNLJIASORICC-KCTHJMFYSA-N 449.464 -0.030 5 20 IBBD COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403136 ASSSAEXJFPSWSA-DDFAGTSDSA-N 427.439 -0.573 5 20 IBBD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)n1ccccc1=O 1797933386 FBLWYRGVWXFCRV-JFILPPLUSA-N 430.421 -0.056 5 20 IBBD CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)O 1799730528 QCNXCZMFCUPVKA-RBNVPPIJSA-N 436.421 -0.434 5 20 IBBD Cc1nocc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1834333724 YWNSLIZBDLRPGW-GOSISDBHSA-N 434.409 -0.142 5 20 IBBD N=C1NCCN1CC(=O)N1CCCC12CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2 1842909622 UXLQSQUOKINYTO-UHFFFAOYSA-N 430.421 -0.020 5 20 IBBD CC[C@@]1(C)NC(=O)N(CC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 512940914 RSKMTOLPKMABHN-MRXNPFEDSA-N 427.439 -0.290 5 20 IBBD C[C@@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 533413891 VXEJPUJTELIEPN-CYBMUJFWSA-N 425.467 -0.752 5 20 IBBD O=C(NCC(=O)N1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 540677216 DAVCGGBDAXPIAD-CQSZACIVSA-N 440.478 -0.030 5 20 IBBD Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 543815845 NXFXLFRYZYISIO-UHFFFAOYSA-N 437.434 -0.365 5 20 IBBD NS(=O)(=O)CCOCCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 589121579 ZCTKMIYDVNBPOS-UHFFFAOYSA-N 432.274 -0.059 5 20 IBBD NS(=O)(=O)c1ccc(NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 609823264 OWYGTFKSDYATKW-UHFFFAOYSA-N 449.511 -0.305 5 20 IBBD CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 781951506 MSKKXOXGAGSFAZ-MRXNPFEDSA-N 425.467 -0.219 5 20 IBBD CC(=O)N1CCN(S(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 813950253 YHXBHOYBFUKDCU-LBPRGKRZSA-N 443.438 -0.683 5 20 IBBD COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)COCCO)C3)C2)c([N+](=O)[O-])cc1O 1781318294 ZBSIDNLAEHSLMS-LJQANCHMSA-N 439.421 -0.239 5 20 IBBD O=C1CN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)C2)C(=O)N1 1781935556 PORYVQIUEQCOBH-IBGZPJMESA-N 447.404 -0.704 5 20 IBBD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1787406310 ZNHZEVRGWCHIRU-MXAVVETBSA-N 437.457 -0.782 5 20 IBBD CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)c([N+](=O)[O-])cn1 1796599772 YLJHTBLDIBKSMI-OQMKEHIESA-N 434.453 -0.052 5 20 IBBD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)n(C)n1 1833443287 CQYAVNYUUXHFEC-GOSISDBHSA-N 449.424 -0.556 5 20 IBBD NS(=O)(=O)c1cnn(CCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 523872860 XMWFBXPYTINWDO-UHFFFAOYSA-N 442.479 -0.125 5 20 IBBD CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 554064032 DCGGTORYGCIMQC-GFCCVEGCSA-N 441.466 -0.293 5 20 IBBD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NS(=O)(=O)N1CCOCC1 747745620 CMKORKVZSFTZAR-SNVBAGLBSA-N 436.468 -0.268 5 20 IBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2)c1n[nH]cc1[N+](=O)[O-] 1798010295 INPRZBWAOZBXQX-JJLQDPRZSA-N 426.393 -0.122 5 20 IBBD CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])n[nH]1)C(=O)C(=O)O 1819659967 KJPKLAQYBGANOT-JTQLQIEISA-N 448.396 -0.110 5 20 IBBD O=C(CN1CCOC1=O)NC1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1833386659 LHWXNKXNZKFINH-UHFFFAOYSA-N 449.468 -0.045 5 20 IBBD Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)cn1 1833811228 KQZIOZYJBWRXJB-SFHVURJKSA-N 431.409 -0.200 5 20 IBBD O=C(c1cc(=O)n2[nH]nnc2n1)N1CC2(CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 1845472790 QBVRLQDIZGJURG-UHFFFAOYSA-N 440.376 -0.443 5 20 IBBD Cn1c(=O)c2c(ncn2CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)n(C)c1=O 15382294 QWMKIALKVHMZDP-UHFFFAOYSA-N 427.421 -0.309 5 20 IBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 30338595 ZXQQWOLNWDYWLM-UHFFFAOYSA-N 447.539 -0.298 5 20 IBBD CC(C)NS(=O)(=O)NCCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 428428401 WPMAFIJFWQBIOO-UHFFFAOYSA-N 437.500 -0.836 5 20 IBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 445074136 VPOUMEFXOUTZGI-JTQLQIEISA-N 436.420 -0.673 5 20 IBBD CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 510501090 MUHVRJADCFNILY-SMDDNHRTSA-N 436.512 -0.047 5 20 IBBD CC(C)NC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 518691962 XIABMPJPKDVALC-UHFFFAOYSA-N 441.510 -0.068 5 20 IBBD CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 518919229 LPTAQNVXOCPEGO-CYBMUJFWSA-N 435.437 -0.012 5 20 IBBD C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 570078469 REJYCQRTEDGLGG-YASQENCXSA-N 446.507 -0.689 5 20 IBBD CN(C)C(=O)CN1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 604564725 ASAVNSGVVOYFHW-UHFFFAOYSA-N 442.498 -0.723 5 20 IBBD CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 619873912 INGMSSBSSHWHDN-SWLSCSKDSA-N 436.421 -0.380 5 20 IBBD NC(=O)[C@@H]1CCCN(CCCNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 804068441 OXAAWLFBFAENPE-MRXNPFEDSA-N 446.508 -0.053 5 20 IBBD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1)n1ccnn1 1785219015 UJQZXILQVJDCJM-VRKREXBASA-N 432.441 -0.376 5 20 IBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)c1cncnc1 1786116300 UKNKAOQKYPZZLM-QRTARXTBSA-N 442.432 -0.160 5 20 IBBD NC(=O)[C@@H](N)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1F 1799491328 GUGQUWUKRCGJKK-RERORNDZSA-N 437.428 -0.470 5 20 IBBD O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1829484282 HJWBOOQEVYYZCS-GOSISDBHSA-N 449.376 -0.227 5 20 IBBD O=C(C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1)c1ccco1 1832795991 LCJLLMMGYADIDT-LJQANCHMSA-N 447.404 -0.276 5 20 IBBD CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)n1 1834405099 UWPXXCGCBUPXBW-SFHVURJKSA-N 433.425 -0.082 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1 1836632827 LZZXZFIQAIAULG-UHFFFAOYSA-N 438.437 -0.934 5 20 IBBD NC(=O)c1nccnc1C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824824 JDATYBUNRFOCDY-UHFFFAOYSA-N 441.404 -0.837 5 20 IBBD Cn1cc(-c2noc(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)c(=O)n(C)c1=O 445550972 DTEUGLCCSVAODF-UHFFFAOYSA-N 436.406 -0.437 5 20 IBBD O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCC(=O)NCCN1CCOCC1 517894904 VPXKESAXDYXFMH-UHFFFAOYSA-N 435.437 -0.153 5 20 IBBD CN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)CC(C)(CO)CO 534654631 GLGMOBUBUXMODN-UHFFFAOYSA-N 444.510 -0.650 5 20 IBBD Cc1nc(S(=O)(=O)N2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])CC2)cn1C 545347266 NDQJBEKULWUFQD-UHFFFAOYSA-N 444.495 -0.205 5 20 IBBD CC(C)(CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])S(C)(=O)=O 611653928 VUHHYBZUIJHIGO-AAEUAGOBSA-N 449.507 -0.342 5 20 IBBD Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 766972298 NGSZKVNGHKRTIS-NEPJUHHUSA-N 430.439 -0.320 5 20 IBBD CN(C)CCNS(=O)(=O)c1ccc(N2CCN(CC[S@](C)=O)CC2)c([N+](=O)[O-])c1 771144885 JPNMLXNANCHQSF-NDEPHWFRSA-N 447.583 -0.065 5 20 IBBD CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1)C(=O)O 1779601131 PSOHNAADDAFQRR-AEDCBLDQSA-N 438.441 -0.492 5 20 IBBD CC(C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790652155 DHYWKPAWBPFNNN-ILXVDBEPSA-N 436.465 -0.247 5 20 IBBD COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)n2cnnn2)n1 1801436290 IIFRTGWFPFDLLU-MCYUEQNJSA-N 446.424 -0.551 5 20 IBBD O=C(CSc1ccccc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)C(O)O)C2)C1 1840110980 PDYQGBIOOYQIHF-SFHVURJKSA-N 441.462 -0.546 5 20 IBBD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 23742877 YWLIVRZNOTYFII-NSHDSACASA-N 435.480 -0.083 5 20 IBBD COCC(=O)NC1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 609968412 FNIVCWIXSJUNHQ-UHFFFAOYSA-N 428.467 -0.031 5 20 IBBD CCNC(=O)C1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 611652574 PMWZXTCRIMHDSN-OCCSQVGLSA-N 426.451 -0.687 5 20 IBBD Cn1c(=O)ccn(CC(=O)NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1=O 770745190 DSZFJWNGDULPBI-UHFFFAOYSA-N 447.223 -0.277 5 20 IBBD O=C1C[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc([N+](=O)[O-])c5c4OCO5)C3)C2)CN1 1780236337 JLBIEXOERRAFCA-YUNKPMOVSA-N 446.416 -0.097 5 20 IBBD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)COCCO)C3)C2)c([N+](=O)[O-])cc1O 1781318293 ZBSIDNLAEHSLMS-IBGZPJMESA-N 439.421 -0.239 5 20 IBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CC(=O)NC2=O)n1 1794086048 FDZXLXAPVHWEKU-ZSBIGDGJSA-N 446.420 -0.198 5 20 IBBD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(C)=O)c([N+](=O)[O-])c1 1800511966 MKWNIZYHHWIITI-YVWYUNDQSA-N 434.449 -0.128 5 20 IBBD O=C(CSc1nc[nH]n1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1801300412 YQBPGRCMSOGGSA-QHBPRCKVSA-N 436.454 -0.709 5 20 IBBD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1)n1ccnn1 1836508396 ZHOGXLDESBOUTL-SJKOYZFVSA-N 434.413 -0.759 5 20 IBBD NC(=O)[C@H](N)CCC(=O)N1CCCC12CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)C2 1842945506 AUFMNGXEGPUQFC-OAHLLOKOSA-N 431.449 -0.061 5 20 IBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cn(-c3cccc([N+](=O)[O-])c3)nn1)C2 467067726 FVLYYHPBUGQQMG-UHFFFAOYSA-N 441.408 -0.722 5 20 IBBD C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1cccc([N+](=O)[O-])c1 468445550 MDCFUCBEPQPUEI-ZDUSSCGKSA-N 430.421 0.466 5 20 IBBD C[C@H](O)CN1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 497581853 GCLAEBOFUJGCEP-KGLIPLIRSA-N 429.499 -0.030 5 20 IBBD Cn1cc(N2CC[C@H](NC(=O)C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)C2=O)cn1 502849321 XVBJPJWODOFDBG-ZDUSSCGKSA-N 426.393 -0.258 5 20 IBBD COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)c1=O 516145102 NMTNIXWLFMDHIW-UHFFFAOYSA-N 437.453 -0.398 5 20 IBBD COCC(=O)N(C)CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 534734867 FMAKFBXEDDKEKM-UHFFFAOYSA-N 428.467 -0.248 5 20 IBBD CNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC1 549717245 YEFGEVAMABFAGA-UHFFFAOYSA-N 436.450 -0.329 5 20 IBBD NC(=O)[C@H]1CCCN(CCCNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 609171070 QFVNSPOLWNENEU-AWEZNQCLSA-N 441.510 -0.033 5 20 IBBD Cc1nc[nH]c1C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782782598 OKTDYIWETZPMIM-LJQANCHMSA-N 430.421 -0.068 5 20 IBBD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782785123 DGTCFWJUDRWLDZ-GZRFBZBPSA-N 436.465 -0.007 5 20 IBBD CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786230 BTSBHCDFPNHVTD-ORAYPTAESA-N 435.437 -0.889 5 20 IBBD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1)n1cncn1 1784478348 BIRUIJLXGGAVEY-IFXJQAMLSA-N 445.436 -0.561 5 20 IBBD O=C(C[C@H]1NC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 1785146451 GXOVEADPOCTJCL-KQXIARHKSA-N 435.393 -0.621 5 20 IBBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795533112 OBZJXPHTWYRGFV-JPVZDGGYSA-N 449.464 -0.595 5 20 IBBD CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2)C(=O)O 1795645109 FOSNESXMYBSEQN-RERORNDZSA-N 438.412 0.000 5 20 IBBD C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1801004091 ZERIZWJPJJTRID-ZYYNGRNUSA-N 425.398 -0.863 5 20 IBBD O=C(NCCCN1C(=O)CNC1=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 493507136 RAZBRFBWJSNDGP-CQSZACIVSA-N 439.450 -0.194 5 20 IBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2cn(C)c(=O)nc2O)CC1 514432047 ZMFNVFMVBVAIPL-UHFFFAOYSA-N 437.434 -0.151 5 20 IBBD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCn2ncnn2)c([N+](=O)[O-])c1 533226443 ZXTWZRJOGCGBNA-UHFFFAOYSA-N 427.443 -0.193 5 20 IBBD O=C(CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)N[C@H]1CCS(=O)(=O)C1 537407175 SQSRYAVCWCMJSJ-ZDUSSCGKSA-N 440.478 -0.145 5 20 IBBD CN1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1=O 610131257 DMIPOCAGHOTTFG-UHFFFAOYSA-N 427.483 -0.516 5 20 IBBD Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c(=O)n2C 825374783 BRZGTZOOKZXQND-UHFFFAOYSA-N 434.340 -0.337 5 20 IBBD CNC(=O)NC(=O)COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920634307 BTJITTODJQNLIK-LLVKDONJSA-N 428.423 -0.006 5 20 IBBD Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)no1 1779122824 GVPXNQJIRFMCMG-GOSISDBHSA-N 447.408 -0.512 5 20 IBBD O=C(Cc1ccc(O)cn1)N1CC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1784642796 UUJPALBQDJKMER-IBGZPJMESA-N 430.421 -0.036 5 20 IBBD O=C(Cc1cc([N+](=O)[O-])ccc1F)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1785002589 CRRYLLIZQYXCGY-NUTKFTJISA-N 447.427 -0.057 5 20 IBBD COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)O2)n1 1793418810 RHHLUEFQIPQELR-QPPBUOOMSA-N 435.393 -0.690 5 20 IBBD O=C(Cn1nccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 1799413114 ZKTBRZCTJHGMDX-DPIQGUFMSA-N 440.420 -0.034 5 20 IBBD N=C(N)SCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1835511104 NTIRBKPCYLVPRZ-OAHLLOKOSA-N 427.443 -0.985 5 20 IBBD O=C(NC1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1)[C@@H]1C[C@H](O)CN1 1836359481 OCMCMUUNQNOAGE-GJZGRUSLSA-N 435.485 -0.774 5 20 IBBD CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 1839278243 JFGQZPVAGXRIHF-LJQANCHMSA-N 438.412 -0.060 5 20 IBBD CNS(=O)(=O)CCNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 439071365 PRXLDLXSYCEKJH-UHFFFAOYSA-N 449.511 -0.621 5 20 IBBD CN(CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 512988559 JVQWTINRLVWYHB-ZDUSSCGKSA-N 434.496 -0.892 5 20 IBBD CNS(=O)(=O)NC1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 560436513 LCPMRRBECVYEJD-UHFFFAOYSA-N 427.439 -0.635 5 20 IBBD CC(C)(C)OC(=O)N1CCN(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)C(=O)C1 750758690 DYDJNHXXIXUTHC-UHFFFAOYSA-N 443.438 -0.126 5 20 IBBD O=C1NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)C[C@@H]12 778589538 QDKQZHRUCULEJU-ZDUSSCGKSA-N 425.423 -0.644 5 20 IBBD O=C(COC(=O)C(F)(F)F)N1CC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1778891682 QJZTYPZIDRDZHS-HNNXBMFYSA-N 449.342 -0.273 5 20 IBBD O=C(c1nc2ncccn2n1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779381262 KPEJYZNYNFVUTA-QGZVFWFLSA-N 427.381 -0.487 5 20 IBBD CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@@H]21 1786649618 QWKAWXWOKUYNHC-UVBJJODRSA-N 441.462 -0.062 5 20 IBBD Cn1ncnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2 1794571931 OJGUAAFKCAQFIT-GNXNZQSNSA-N 444.404 -0.031 5 20 IBBD N[C@@H](Cc1cscn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1796304767 FMTYWOXPSYRBEG-RBNVPPIJSA-N 449.493 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CCNC(=O)[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C 499355295 BQJQRGBJOMFFBO-NOLJZWGESA-N 442.494 -0.004 5 20 IBBD CS(=O)(=O)NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 521567827 ZBGWBOCRBBMBDO-GFCCVEGCSA-N 434.496 -0.339 5 20 IBBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 533515147 IIJCNAZBHISFBA-ZBFHGGJFSA-N 440.478 -0.020 5 20 IBBD CN(C)S(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 570866514 CAJSWORDELIKMJ-UHFFFAOYSA-N 449.511 -0.498 5 20 IBBD NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 736337720 MAMSZVWROBZPJX-UHFFFAOYSA-N 429.274 -0.133 5 20 IBBD C[C@@H](NC(=O)COC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C 920719388 BCQCJEFOOMMANF-LLVKDONJSA-N 430.439 -0.601 5 20 IBBD COc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)CNC(=N)N)CCO3)C2)ccc1[N+](=O)[O-] 1781191846 QVGVAXQZZLYYME-IBGZPJMESA-N 434.453 -0.541 5 20 IBBD O=C1NC(=O)[C@@H](CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc([N+](=O)[O-])o4)[C@H]3C2)N1 1783361211 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O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCS(=O)(=O)C1 554023695 WFFCWWVJPBLBRY-LBPRGKRZSA-N 434.496 -0.003 5 20 IBBD COc1cc(CCNC(=O)C(=O)N2CCO[C@H](CNC(C)=O)C2)c([N+](=O)[O-])cc1OC 555833726 NVULXTRASPTCQF-CQSZACIVSA-N 438.437 -0.366 5 20 IBBD C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611655727 DFWAKDFMZGAELN-BZPMIXESSA-N 449.507 -0.342 5 20 IBBD O=C(CN1CCS(=O)(=O)CC1)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 919135935 QJFRICSHSUHERI-UHFFFAOYSA-N 440.478 -0.483 5 20 IBBD O=C(CCc1ccc(O)nn1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779389164 NDUGADURGGTNMX-GOSISDBHSA-N 431.409 -0.110 5 20 IBBD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)n1cnnn1 1782602650 DPEIKPCUXNBVHS-XTQGRXLLSA-N 433.429 -0.307 5 20 IBBD CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C[C@@H]21 1786649858 ZUOXFSCSLDMWSQ-XEZPLFJOSA-N 441.462 -0.062 5 20 IBBD COC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C[C@@H]32)CC1 1790883930 ZTEIOORTPBQNMC-QEJZJMRPSA-N 435.437 -0.276 5 20 IBBD COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnnn2C)n1 1794227251 MYNKCFAZXDUJRH-QHBPRCKVSA-N 431.409 -0.356 5 20 IBBD NC(=O)c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1794266166 UZGWXOJQWKDEPV-DRXBFXEBSA-N 443.420 -0.811 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnc[nH]1)C2 1800281288 DCORNBNDVYJAQN-HBCWATKFSA-N 444.448 -0.298 5 20 IBBD O=C(C[C@H]1NC(=O)NC1=O)N[C@@H]1CCc2nc(NC(=O)c3nc[nH]c3[N+](=O)[O-])sc2C1 1817193442 HWCRQVJCSNYSKV-HTRCEHHLSA-N 448.421 -0.402 5 20 IBBD O=C1C[C@H](C(=O)N2CCC(OC3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)CC3)CC2)CN1 1837135752 ICZGXSVFEFRXBA-AWEZNQCLSA-N 448.480 -0.074 5 20 IBBD O=C(O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837799187 VNZVMLJFWYVYMP-MRXNPFEDSA-N 443.438 -0.794 5 20 IBBD O=C(c1c[nH]c(=O)cn1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1838640797 WTOUNRQORWLJHK-SFHVURJKSA-N 432.393 -0.610 5 20 IBBD NC(=O)CC[C@H](N)C(=O)N1CC2(CCCN2C(=O)c2cc([N+](=O)[O-])cc3c2OCC3)C1 1844689537 GLEVGKBXELCVER-HNNXBMFYSA-N 431.449 -0.061 5 20 IBBD O=C(c1cc([N+](=O)[O-])cc2c1OCC2)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034122 DBQVUBXXJIARJG-UHFFFAOYSA-N 448.476 -0.367 5 20 IBBD CNC(=O)Cn1cnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 460577779 WKVRFSROFGKFKE-CYBMUJFWSA-N 437.438 -0.276 5 20 IBBD CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 477549763 CJXUGPAEJZKWJG-UHFFFAOYSA-N 448.523 -0.036 5 20 IBBD Cn1c(N)c(C(=O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(=O)n(C)c1=O 533239623 NQMUTOKSLKALIF-UHFFFAOYSA-N 436.450 -0.723 5 20 IBBD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 609725641 FUFNLZHNZDRFSN-UHFFFAOYSA-N 434.434 -0.124 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(CCN(C(=O)c3cccnn3)C2)C1 1779465414 OMZMYIRDUKULHZ-LJQANCHMSA-N 428.405 -0.310 5 20 IBBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)c1 1780120548 PCGTZVVNBOFLND-HZUJVAHNSA-N 447.492 -0.173 5 20 IBBD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(O)O)[C@H]3C2)cc([N+](=O)[O-])c1OC 1783867496 AJZKUJWNIDMUEB-WBIUFABUSA-N 439.421 -0.484 5 20 IBBD O=C(NC[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccnc1)[C@@H]1C[C@H](O)CN1 1807695148 JLMDIFKFXDGXKX-WSMBLCCSSA-N 429.437 -0.245 5 20 IBBD O=C1NC(=O)[C@@H](CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3n[nH]cc3[N+](=O)[O-])n[nH]2)N1 1819655575 XNGHJBBMYYGNTJ-NXEZZACHSA-N 445.396 -0.055 5 20 IBBD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1)n1ccnc1 1837792981 QXQRZAHXARDNCQ-ACJLOTCBSA-N 433.425 -0.154 5 20 IBBD COc1cc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CNC3=O)C2)c([N+](=O)[O-])cc1O 1841848209 HIOQFXHETFFMKN-UHFFFAOYSA-N 447.404 -0.322 5 20 IBBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843233861 LHJXSVBKUQBPNR-DUXPYHPUSA-N 440.376 -0.156 5 20 IBBD Cc1cc(C(=O)NCC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-] 10206322 AXYSYPYLYLHUHB-UHFFFAOYSA-N 447.448 -0.837 5 20 IBBD C[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)N1CCS(=O)(=O)CC1 465127085 GYFSUSWKOZKTGM-NSHDSACASA-N 427.435 -0.330 5 20 IBBD NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 478408613 VGNLJWQQFZHZNT-UHFFFAOYSA-N 444.495 -0.555 5 20 IBBD CN(C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 488542635 KNPGJWYUQDJCHT-ZDUSSCGKSA-N 449.511 -0.452 5 20 IBBD O=C(CN1CC[C@@H](CO)[C@H](O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 514426866 SIYFHMKKSGWTOS-WMLDXEAASA-N 442.494 -0.897 5 20 IBBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)s1 1320868010 NHXABXWZFDJTHY-MNOVXSKESA-N 425.510 -0.660 5 20 IBBD O=C(O)c1cnncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787477430 JLCHGMXDMXZQHQ-XDTLVQLUSA-N 445.392 -0.287 5 20 IBBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1799828864 IWDIHPZLNRPKAD-AZGFTEDZSA-N 449.464 -0.595 5 20 IBBD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)on1 1800281671 XSSNUOLLCLLFNI-HBCWATKFSA-N 445.432 -0.115 5 20 IBBD O=C(c1ccc[n+]([O-])c1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837794409 QYRQDIOWRCQVAV-SFHVURJKSA-N 432.393 -0.665 5 20 IBBD COc1cc(CC(=O)N2CCCC23CN(C(=O)[C@H](O)N2CCOCC2)C3)ccc1[N+](=O)[O-] 1845148080 MKWMDJSGSBMQCA-IBGZPJMESA-N 448.476 0.000 5 20 IBBD CN1CC[C@](O)(CNC(=O)c2cc(C(=O)NC[C@@]3(O)CCN(C)C3)cc([N+](=O)[O-])c2)C1 461550905 XKDZPKFNSPVAML-PMACEKPBSA-N 435.481 -0.812 5 20 IBBD O=C(CN1CC[C@H](CO)[C@H](O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 514426865 SIYFHMKKSGWTOS-RHSMWYFYSA-N 442.494 -0.897 5 20 IBBD CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 518954468 XGJHYTNTDJEAHX-JTQLQIEISA-N 428.423 -0.619 5 20 IBBD CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 540006462 AFWHCIZTCRBYQT-CQSZACIVSA-N 449.511 -0.404 5 20 IBBD CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 561705695 PICPHAHMNNZJBI-CQSZACIVSA-N 442.498 -0.219 5 20 IBBD CS(=O)(=O)CCN1CCC(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 731650674 MDTVAUBOSPNOFG-UHFFFAOYSA-N 438.462 -0.184 5 20 IBBD CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)CC1 777884771 SKOPJRXRQCHANH-UHFFFAOYSA-N 441.466 -0.054 5 20 IBBD Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 779501914 SRBCLIADPRZYEI-NSHDSACASA-N 432.480 -0.548 5 20 IBBD C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N(C)CC(=O)NC1CC1 852305215 BZFZHIAPWJNRPN-JTQLQIEISA-N 432.389 -0.141 5 20 IBBD COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 1121145599 VZGQEWRRPJYWIO-OAHLLOKOSA-N 427.435 -0.156 5 20 IBBD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ncn3)C[C@@H]21 1785213958 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N=C(N)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1ccccc1[N+](=O)[O-] 1800907548 JOAWQOHXMXOEEX-DPIQGUFMSA-N 436.494 -0.240 5 20 IBBD O=C1CN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)c3n[nH]cc3[N+](=O)[O-])[nH]n2)C(=O)N1 1815667591 IXIHCJJQGBCBTG-SNVBAGLBSA-N 445.396 -0.101 5 20 IBBD C[C@H](NC=O)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cccc([N+](=O)[O-])c3=O)sc2C1 1824718709 PWDQIPNHXVCJMM-QWRGUYRKSA-N 448.461 -0.040 5 20 IBBD O=C1CCCN1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829485020 UDIWFRWUIWPKGT-IBGZPJMESA-N 436.421 -0.120 5 20 IBBD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837791528 PGOMDFJSSKRUPA-UGSOOPFHSA-N 438.441 -0.697 5 20 IBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1837791636 WTXWJRCAQKGNJY-YJBOKZPZSA-N 435.393 -0.286 5 20 IBBD CCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837793992 GBFYRUURKUVUTK-SFHVURJKSA-N 433.425 -0.082 5 20 IBBD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)ncc1[N+](=O)[O-] 1839236016 AUIWYRQQRMQIRP-LJQANCHMSA-N 445.436 -0.340 5 20 IBBD CN(C)CCNS(=O)(=O)c1ccc(N2CCN(C(=O)CN(C)C)CC2)c([N+](=O)[O-])c1 506837411 GCGIAHRSZIQSGZ-UHFFFAOYSA-N 442.542 -0.355 5 20 IBBD CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 559180113 SCGICMZZIABHDQ-UHFFFAOYSA-N 448.523 -0.036 5 20 IBBD CC(=O)N1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 591886051 XIIGPAUSLOAYRH-ZFWWWQNUSA-N 426.451 -0.591 5 20 IBBD O=C(OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H](O)C1CC1 730875942 BFVUKEQPKHTDFZ-MRXNPFEDSA-N 427.435 -0.258 5 20 IBBD O=C(NCCc1cnccn1)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 793491456 POSHMZZISXYAMW-UHFFFAOYSA-N 448.461 -0.423 5 20 IBBD CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)c([N+](=O)[O-])cn1)C(=O)O 1796599786 ZGQXJYWLDUNSPX-DMVWFOPNSA-N 435.437 -0.436 5 20 IBBD CCOC(=O)C=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(=O)NCCOC 543862660 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NC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCO1 65174792 GJJIMVNRRPSWKF-SWLSCSKDSA-N 426.451 -0.292 5 20 IBBD C[C@]1(C(N)=O)CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 478569217 OXITVQNSECWAND-ZUCKAHLUSA-N 426.451 -0.557 5 20 IBBD COCCCS(=O)(=O)NCC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 518604183 PAAANYPUQOWNKU-UHFFFAOYSA-N 428.467 -0.165 5 20 IBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 536547514 VUBPYTUFTCGUFU-CHWSQXEVSA-N 444.514 -0.021 5 20 IBBD O=C(CN1CC[C@H](CO)[C@@H](O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 571597610 HNTOFTXLVXUGRR-PBHICJAKSA-N 442.494 -0.897 5 20 IBBD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 731601183 NJOMMSCLLJHAJC-UHFFFAOYSA-N 436.421 -0.010 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1782783447 VNAGGPOZPKOASJ-LJQANCHMSA-N 428.405 -0.310 5 20 IBBD NC(=O)[C@@H](N)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc([N+](=O)[O-])c1 1793699771 AKVHXIZWHITZHU-MQJTVSLUSA-N 447.492 -0.290 5 20 IBBD Cn1cncc1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832795884 HIAGBLZSIVWNDD-SFHVURJKSA-N 433.425 -0.705 5 20 IBBD N=C1NCCN1CC(=O)NC1CCN(C2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1834704377 GTWILZRXKJUYJF-UHFFFAOYSA-N 447.500 -0.657 5 20 IBBD CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 1839859739 CKQDTAXYHPQGHE-LJQANCHMSA-N 438.412 -0.060 5 20 IBBD CCn1cc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c([N+](=O)[O-])n1 435809936 QTDAVQAZJHMOQW-UHFFFAOYSA-N 427.443 0.053 5 20 IBBD CC(C)(O)CN1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 471551067 KYPZENYMVKDCNL-UHFFFAOYSA-N 429.499 -0.029 5 20 IBBD COc1cc(OCC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)ccc1[N+](=O)[O-] 519991660 AHFJNGIGTCSSCA-UHFFFAOYSA-N 434.405 -0.198 5 20 IBBD C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1S(C)(=O)=O 538438964 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Cn1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1=O 444502732 RBURSDWVUPDGKZ-UHFFFAOYSA-N 449.445 -0.235 5 20 IBBD O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 535410246 OVTXIXMIGGYMCQ-UHFFFAOYSA-N 430.421 -0.053 5 20 IBBD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 610424101 ADJWHANEIKIKPD-CYBMUJFWSA-N 431.519 -0.479 5 20 IBBD CS(=O)(=O)c1ccc(NCCNC(=O)CCn2cc[nH]c(=O)c2=O)c([N+](=O)[O-])c1 727848426 MMXVFWNDYKISOO-UHFFFAOYSA-N 425.423 -0.533 5 20 IBBD N=C1NC(=O)[C@@H](CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)S1 745414066 XMGVITXAHKURKK-LLVKDONJSA-N 427.464 -0.016 5 20 IBBD O=C(NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 781839479 IQWOAIJRCZWWSS-VHSXEESVSA-N 449.438 -0.426 5 20 IBBD Cn1c(=O)c2nc(COC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)[nH]c2n(C)c1=O 785107212 GMTVHZPGFVGWTR-UHFFFAOYSA-N 426.349 -0.194 5 20 IBBD COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CN)C3)n1 1778376131 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432.433 -0.133 5 20 IBBD NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)cc1 1801654894 XAUAVEPSSMIBED-BTTYYORXSA-N 428.405 -0.066 5 20 IBBD Cn1nncc1C(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833784770 YZHFSBTXBGLQRB-UHFFFAOYSA-N 445.484 -0.195 5 20 IBBD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc[nH]c2[N+](=O)[O-])CCO3)no1 1836508364 XUYVRQZPIWDHHO-GOSISDBHSA-N 434.409 -0.073 5 20 IBBD CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1837241868 VMSDJFFPJPSABJ-BJLXPSRBSA-N 443.482 -0.453 5 20 IBBD Cc1ccn(C[C@@](C)(O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(=O)c1 468337644 SLPCRTRXAKWGSG-GOSISDBHSA-N 438.462 -0.089 5 20 IBBD O=C(CN1CC[C@H](CO)[C@H](O)C1)Nc1cc(N2CC[C@@H](CO)[C@H](O)C2)ccc1[N+](=O)[O-] 564154023 ZZYNYFOFBZFQCX-GTYSZEQSSA-N 438.481 -0.612 5 20 IBBD C[C@@]1(C[C@H]2CCCN2C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])NC(=O)NC1=O 583031555 UPGJECRXJVGPJA-DIFFPNOSSA-N 439.450 -0.148 5 20 IBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 617884259 YHZLHNGHVUDFLG-GFCCVEGCSA-N 436.450 -0.031 5 20 IBBD COC(=O)[C@@H]1CC(=O)N(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 782267237 PLMSEMJXBWHFOO-CYBMUJFWSA-N 426.451 -0.120 5 20 IBBD O=C1CN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(F)cc([N+](=O)[O-])c4)C3)C2)C(=O)N1 1781762092 CJVMFDHQJNXVGE-IBGZPJMESA-N 449.395 -0.271 5 20 IBBD Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1795981229 YUQRYJFWBNNJOL-DRXBFXEBSA-N 431.409 -0.914 5 20 IBBD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1)n1cnnn1 1835100973 RVBCCKFZXPPYNW-GFCCVEGCSA-N 446.472 -0.249 5 20 IBBD O=C(c1ccc(CO)o1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1837969679 STCLINNAYKMUQW-GOSISDBHSA-N 435.393 -0.213 5 20 IBBD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)nn1 1838350500 UTWAECBYOULGIS-GOSISDBHSA-N 447.408 -0.500 5 20 IBBD CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCO[C@H](C)C2)cc1[N+](=O)[O-] 10887044 IJKJZYIGBZQTRI-LLVKDONJSA-N 430.439 -0.295 5 20 IBBD Nc1nc(SCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 26862845 YTPQHUSGOFJSGE-UHFFFAOYSA-N 427.468 -0.080 5 20 IBBD COCCO[C@H]1COCC[C@@H]1NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 486435728 KURJDDMBBPHTCA-HOTGVXAUSA-N 446.482 -0.007 5 20 IBBD CS(=O)(=O)N1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 523346929 XIYCFJAEJDAYFE-GFCCVEGCSA-N 434.496 -0.197 5 20 IBBD CS(=O)(=O)CCCS(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 524872831 QPAFLPWTIOASOE-UHFFFAOYSA-N 429.498 -0.773 5 20 IBBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 555036059 SMWSXOUGJVVFQB-GFCCVEGCSA-N 426.451 -0.095 5 20 IBBD CC(C)COC[C@@H](O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611656347 RGEYVYXDJBMXEQ-YCPHGPKFSA-N 445.494 -0.132 5 20 IBBD CC(=O)NC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCO1 735489598 HMAAUDZBYNRYBR-OAHLLOKOSA-N 428.467 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O=C(CCN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)Nc1cc([N+](=O)[O-])ccc1F 1321602487 SKZBZDGVUZDTSV-HZPDHXFCSA-N 430.458 -0.162 5 20 IBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)C(=O)C1CC1 1784009575 BYJHBHBNWMIFNF-DZKIICNBSA-N 432.433 -0.285 5 20 IBBD COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cc([N+](=O)[O-])cn4)[C@H]3C2)nn1 1785217675 DRIBRDGHOSNOFW-NOLJZWGESA-N 445.436 -0.117 5 20 IBBD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cnnn4)[C@H]3C2)ncc1[N+](=O)[O-] 1787091554 UTKPGGSNZCJGKM-XEZPLFJOSA-N 430.425 -0.422 5 20 IBBD CCS(=O)(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1793543138 MCVZBIIXZORURA-BTTYYORXSA-N 440.478 -0.171 5 20 IBBD NC(=O)CC[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2 1795529427 GGSQZKGCHABFOU-VDJZMZKGSA-N 435.437 -0.617 5 20 IBBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=N)N)c1 1795539126 NZCRIAKSWRMRQA-DPIQGUFMSA-N 433.469 -0.653 5 20 IBBD 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5 20 IBBD O=C(CN1CCn2ncnc2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 473428325 MUGFWLVTDCPTQA-UHFFFAOYSA-N 435.466 -0.465 5 20 IBBD COc1ccc(C(=O)NCC(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 541095872 ZBFBRGYJRBXTAJ-AWEZNQCLSA-N 442.494 -0.090 5 20 IBBD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC2)C[C@@H](C)O1 546789459 PVQCCGAMWYDAMR-TXEJJXNPSA-N 428.471 -0.316 5 20 IBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 604464968 CEIDYUQPWJMVAZ-CYBMUJFWSA-N 427.483 -0.594 5 20 IBBD O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCS(=O)(=O)CC1CC1 765956855 HZXGPNLLIPLEIV-UHFFFAOYSA-N 434.496 -0.003 5 20 IBBD O=C(/C=C/c1cnc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1801242101 WMNGPIBHLSJUKZ-GFYLOJAKSA-N 442.432 -0.217 5 20 IBBD O=C(CN1CCOC1=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829480573 BRRQDEQIKAAFCR-SFHVURJKSA-N 438.393 -0.290 5 20 IBBD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1)n1ccnc1 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IBBD O=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cc([N+](=O)[O-])ccc2F)=NN1 1793810425 WMNXNDCYDPONQN-KSPBDQMDSA-N 433.396 -0.258 5 20 IBBD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)nn1C 1794003880 BWHZTXWRCPGENS-IVWMJMPLSA-N 431.453 -0.009 5 20 IBBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-])c1cc(=O)n2[nH]nnc2n1 1798685338 UAGRANMYAYYPNJ-AYMMMOKOSA-N 428.369 -0.991 5 20 IBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799152366 WYSRMXYQMCBWOR-NLIDSEJHSA-N 446.464 -0.078 5 20 IBBD CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 1800513856 YBHRDXLGNXYJGV-DPIQGUFMSA-N 430.421 -0.190 5 20 IBBD Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)c1 1834440668 ARYQEMSLESCMPD-SFHVURJKSA-N 433.425 -0.705 5 20 IBBD COC[C@H](C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 24168083 LQTYVLQBZXYMLH-ZDUSSCGKSA-N 443.482 -0.238 5 20 IBBD 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O=C(CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC(F)(F)F 516703680 PLSZLKFPULXTRN-UHFFFAOYSA-N 427.361 -0.149 5 20 IBBD CS(=O)(=O)N1CCCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 517950505 JSUQLUCHOJRRAY-UHFFFAOYSA-N 434.496 -0.243 5 20 IBBD O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 609442413 RSRBTYMJJCJPHF-UHFFFAOYSA-N 441.404 -0.391 5 20 IBBD O=C(COC(=O)C1(O)CCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 740227113 UOQSBWMLUGQTOU-UHFFFAOYSA-N 427.435 -0.114 5 20 IBBD CN(CC(=O)N1CCOCC1)C(=O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O 915273022 PYYRNENRJBCLOB-LJQANCHMSA-N 433.421 -0.321 5 20 IBBD O=C(NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 917452953 PNAJHBYBFJUNMD-ONGXEEELSA-N 449.438 -0.426 5 20 IBBD COc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)CN)C2)ccc1[N+](=O)[O-] 1778003488 RHCUKBSHRFWINJ-RRMPHLOHSA-N 449.508 -0.054 5 20 IBBD CC[C@@H](C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 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Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NNC(=O)C4)C[C@@H]32)ncc1[N+](=O)[O-] 1787641370 MYOHBDLELZFGIL-MKBNYLNASA-N 430.421 -0.233 5 20 IBBD CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc([N+](=O)[O-])o1)C(=O)O 1793107110 CXINLHXSKGGSET-CCIKIGQVSA-N 436.421 -0.147 5 20 IBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2)[C@H](O)N1CCOCC1 1797800897 LMQILXPFKMSCIZ-MNDZRTMASA-N 448.476 -0.623 5 20 IBBD O=C1NC(=O)[C@@H](CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc([N+](=O)[O-])cc2F)N1 1799490018 DJMCBXHZRPQBMK-CGMLQXIJSA-N 449.395 -0.465 5 20 IBBD CN(C)C(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829480198 OPYOHUPSPJZXQG-SFHVURJKSA-N 439.425 -0.471 5 20 IBBD O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1829481219 YCRDJSFJPKGTBI-IBGZPJMESA-N 448.388 -0.029 5 20 IBBD C/C(=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2)C(=O)O 1832804806 UVDCQCANQSDIBI-UNIWTGHVSA-N 437.409 -0.721 5 20 IBBD Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)cc1O 1833400566 ANSXAXXJOUBBJW-SFHVURJKSA-N 449.424 -0.999 5 20 IBBD O=C(NC1CCN(C2CCN(C(=O)Cn3nccn3)CC2)CC1)c1nc[nH]c1[N+](=O)[O-] 1835103033 BVUJSLHVOPNVSG-UHFFFAOYSA-N 431.457 -0.205 5 20 IBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838095345 YNVMLRCEQYGHEY-WFASDCNBSA-N 436.469 -0.347 5 20 IBBD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 426488858 XRJRSQHNCUBOHS-UHFFFAOYSA-N 426.455 -0.097 5 20 IBBD Cn1c(=O)c2c(ncn2CCC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n(C)c1=O 487043026 PHXUQHHDIHSKMH-UHFFFAOYSA-N 430.425 -0.208 5 20 IBBD CCNS(=O)(=O)[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 540010165 XTGSWIYLWHPXHA-AWEZNQCLSA-N 449.511 -0.404 5 20 IBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1[N+](=O)[O-] 602287672 PJSSOVPIZXFJSA-UHFFFAOYSA-N 437.434 -0.156 5 20 IBBD CN1CCN(S(=O)(=O)c2ccc(N(C)CCNS(C)(=O)=O)c([N+](=O)[O-])c2)CC1 1116059740 OIOBHUATVVQEJV-UHFFFAOYSA-N 435.528 -0.484 5 20 IBBD COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)Cn2cnnn2)CCO3)c([N+](=O)[O-])c1 1781413045 WOWJYFCIJLJHTO-LJQANCHMSA-N 445.436 -0.338 5 20 IBBD COC(=O)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)CNC(N)=O)CCO3)C2)c([N+](=O)[O-])c1 1782087086 DHFPMYPOBIUBEY-IBGZPJMESA-N 449.420 -0.507 5 20 IBBD CN1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782784971 BCHUJTFHFNMFNB-YWZLYKJASA-N 433.465 -0.319 5 20 IBBD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(=O)N(C)C)c([N+](=O)[O-])c1 1795465434 XYLOVQQPERBMEY-ZSBFGKGUSA-N 434.449 -0.176 5 20 IBBD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CS(C)(=O)=O)C3)ncc1[N+](=O)[O-] 1796599945 ANRWSAZQTCMWQG-DRXBFXEBSA-N 426.451 -0.454 5 20 IBBD N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])CC2 1814920794 VBNRGIFNWOMLOR-MRVPVSSYSA-N 433.454 -0.160 5 20 IBBD O=C(CN1C(=O)C=CC1=O)N[C@H]1CCc2nc(NC(=O)c3nc[nH]c3[N+](=O)[O-])sc2C1 1817206006 YPTHYEZZBFKFQR-QMMMGPOBSA-N 445.417 -0.075 5 20 IBBD Cn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)n1 1832796116 PNFVYPUGVCBDIL-SFHVURJKSA-N 433.425 -0.705 5 20 IBBD Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)o1 1837794640 VYANQTUDLPRHNN-KRWDZBQOSA-N 435.397 -0.678 5 20 IBBD CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839273734 MCMGSEIBLVOLMI-IBGZPJMESA-N 436.421 -0.494 5 20 IBBD CN1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)C3)C2)C1 1840571948 YLHVLMAAUVRSKA-FQEVSTJZSA-N 434.449 -0.068 5 20 IBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843130852 TZPSDJZVCGKKNE-UHFFFAOYSA-N 435.422 -0.400 5 20 IBBD CCC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)S(N)(=O)=O 590411699 HEWUAPNDGOPPEV-CQSZACIVSA-N 434.496 -0.115 5 20 IBBD O=C(CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1[N+](=O)[O-] 920409224 WDBCUCNXUNAMTG-CYBMUJFWSA-N 446.507 -0.332 5 20 IBBD O=C(O)c1cnncc1C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1779522286 GAFBQSIDCRBEEF-GOSISDBHSA-N 445.392 -0.577 5 20 IBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)c1cc(O)n[nH]1 1786941032 XWOPYFOHXODPCH-HUBLWGQQSA-N 446.420 -0.521 5 20 IBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1794004779 KDTFSWAMUCRAIW-FVCICTRLSA-N 436.425 -0.777 5 20 IBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc(O)[nH]2)C3)n1 1796719515 ABMWXFXEQOSHBK-WDAIWFPHSA-N 432.393 -0.056 5 20 IBBD COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)C2)c([N+](=O)[O-])c1 1800525692 NGSXIDAXOFGNHP-CJXDPKRBSA-N 446.460 -0.128 5 20 IBBD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)ncc1[N+](=O)[O-] 1839870816 ZQWGTRHIEFDWIR-JLTOFOAXSA-N 447.448 -0.496 5 20 IBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840270562 URIBPRAHFOIBJF-NJSLBKSFSA-N 437.453 -0.061 5 20 IBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 487102653 SMTIQYOXNQQUHL-ZDUSSCGKSA-N 428.423 -0.807 5 20 IBBD O=C(Cn1cc(Br)c([N+](=O)[O-])n1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 502836392 SUSFLPHUVWQHGV-SNVBAGLBSA-N 436.288 -0.115 5 20 IBBD Cn1cnnc1Sc1ccc(C(=O)N2CCN(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] 517669601 DZJFQGQZANMJBB-UHFFFAOYSA-N 427.468 -0.164 5 20 IBBD O=C(Cn1cnnn1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 540725230 SYKIUWSTZTXMFY-UHFFFAOYSA-N 430.425 -0.598 5 20 IBBD O=C(CSc1n[nH]c(CO)n1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 555865512 DNCAWSOTJAQKLK-UHFFFAOYSA-N 442.479 -0.170 5 20 IBBD O=C(N[C@H]1CCCS(=O)(=O)C1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611642563 WRWANRZTUPKHQG-OBJOEFQTSA-N 447.491 -0.588 5 20 IBBD CCNC(=O)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 782345114 PXUAWDQMWZIZDB-UHFFFAOYSA-N 442.450 -0.503 5 20 IBBD COC(=O)[C@H](C)S(=O)(=O)NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 797288783 YJNZORZGWKFSTL-NSHDSACASA-N 442.450 -0.116 5 20 IBBD CC(=O)N1CCN(c2ccc(C(=O)N3CCCN(CC(N)=O)CC3)cc2[N+](=O)[O-])CC1 920450670 ZDXZHQFVVJUALW-UHFFFAOYSA-N 432.481 -0.104 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1782784260 QVIDLTUUGIWWBS-FQEVSTJZSA-N 444.400 -0.147 5 20 IBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)c1cc(=O)cco1 1795001353 FFESEXLVZXJPMW-IVWMJMPLSA-N 444.400 -0.387 5 20 IBBD NC(=O)[C@@H](N)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)c1[N+](=O)[O-])C2 1795636248 ZHXZWKWDHNLPED-VAECKANCSA-N 437.428 -0.470 5 20 IBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2c2cccnc2)n1 1808264809 IILYZVVMKXSLFF-SUNYJGFJSA-N 443.464 -0.001 5 20 IBBD O=C1CC(C(=O)NC[C@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2c2cccnc2)=NN1 1810226515 YEKBCGXNGGFVJE-ABAIWWIYSA-N 426.393 -0.092 5 20 IBBD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nc[nH]c2[N+](=O)[O-])n[nH]1 1818075789 OVBACBDTRVCIDR-MWLCHTKSSA-N 433.429 -0.060 5 20 IBBD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)O)C3)C2)c([N+](=O)[O-])cc1O 1838601980 ZQKKJTRLBOSSRF-HXPMCKFVSA-N 439.421 -0.240 5 20 IBBD O=C(CCc1ncc[nH]1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840325135 HJMDUPCIONHPIH-SFHVURJKSA-N 433.425 -0.256 5 20 IBBD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)no1 1840367913 KNBZMCUDLMZJLL-GOSISDBHSA-N 434.409 -0.073 5 20 IBBD COC[C@@H](C)n1ccc(NC(=O)C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 426975808 UUDGZRDHHAIAFQ-GFCCVEGCSA-N 439.450 0.527 5 20 IBBD C[C@@H]1NC(=O)CC[C@@H]1NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 443020629 CNYVRPRERKYDJJ-OPDFLTKYSA-N 426.451 -0.498 5 20 IBBD CS(=O)(=O)c1ccc(N2CCN(CC(=O)N3CCNC(=O)C3)CC2)c([N+](=O)[O-])c1 533355917 ZSIJJEMQDHQKAU-UHFFFAOYSA-N 425.467 -0.921 5 20 IBBD CNC(=O)C(C)(C)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611656777 XVGLSAWDUVATOK-YPMHNXCESA-N 428.467 -0.393 5 20 IBBD C[C@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)N[C@H]1CCS(=O)(=O)C1 729948457 NWMDFDGPFQSPJO-QWRGUYRKSA-N 441.418 -0.445 5 20 IBBD CN(CC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1)C1=NS(=O)(=O)c2ccccc21 750760443 YTGPETXHJBZLAF-UHFFFAOYSA-N 439.431 -0.124 5 20 IBBD O=C(CCc1ccc(O)nn1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779389165 NDUGADURGGTNMX-SFHVURJKSA-N 431.409 -0.110 5 20 IBBD CSCC[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783962677 CFBWWHIHEBHRNN-RHSMWYFYSA-N 427.483 -0.265 5 20 IBBD CNCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1786854838 DFIZSVZLVMJPNK-ZOBUZTSGSA-N 435.481 -0.264 5 20 IBBD Cn1cncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832795883 HIAGBLZSIVWNDD-GOSISDBHSA-N 433.425 -0.705 5 20 IBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)c3ccncc3)C2)C1 1832796409 ZETPVBXYMOBHNY-LJQANCHMSA-N 430.421 -0.044 5 20 IBBD CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837792778 GKYKQWIFRNNUGT-XLWVJDPXSA-N 425.442 -0.205 5 20 IBBD O=C(Cn1ccnn1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839273294 GBGMWGOFJSHWMF-LJQANCHMSA-N 446.420 -0.338 5 20 IBBD NC[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CCO2)C1 1839353917 YLGBGCJJXYYNMA-YJBOKZPZSA-N 425.417 -0.910 5 20 IBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CN(C)C2)CCO3)n1 1840570648 XUOPXSXEIXYJHR-FQEVSTJZSA-N 449.464 -0.370 5 20 IBBD O=C1NC(=O)[C@@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2nc3cc([N+](=O)[O-])ccc3[nH]2)N1 1848131165 WONPRFMFZXRSAY-RDBSUJKOSA-N 441.404 -0.115 5 20 IBBD COC(=O)CCN1CC[C@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 501648240 HAGXPRZSKDGORY-AWEZNQCLSA-N 442.450 -0.457 5 20 IBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNS(=O)(=O)C2CCS(=O)(=O)CC2)c1 509801177 CBAAMHIINAIKBQ-UHFFFAOYSA-N 441.509 -0.630 5 20 IBBD C[C@H](CN1CCCC1=O)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611635068 MWBULBPATRVZPU-IPYPFGDCSA-N 440.478 -0.154 5 20 IBBD COCC(=O)N(C)CC(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 759210197 TZZUYYCKZUFJDM-UHFFFAOYSA-N 431.423 -0.374 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1779918381 AFOWSHIYBOQKJN-IBGZPJMESA-N 444.404 -0.604 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncon1)C2 1781561862 YPFCKCGRUXJBIU-AUUYWEPGSA-N 446.420 -0.033 5 20 IBBD Cc1nccc(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)n1 1782782552 NYWYYVZDZJTBOS-FQEVSTJZSA-N 442.432 -0.001 5 20 IBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1794004879 WFTXVNIRHHJQBN-JJLQDPRZSA-N 441.408 -0.868 5 20 IBBD O=C(CCNC(=O)c1ccc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1794035760 YTXHMEAYCWNYIE-DRXBFXEBSA-N 445.436 -0.331 5 20 IBBD COc1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1794370483 CHMFDROVBJZYSZ-JJLQDPRZSA-N 431.409 -0.507 5 20 IBBD O=C(Cn1ccnc1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832795891 HJUWTEAJBZSMSJ-SFHVURJKSA-N 433.425 -0.856 5 20 IBBD CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 23860915 XGMGCIMAPOUWLA-UHFFFAOYSA-N 429.455 -0.245 5 20 IBBD C[C@H](O)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](C)CO 443346189 MGNZEUIROWMYFV-GJZGRUSLSA-N 444.510 -0.509 5 20 IBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 468782969 BDRKARYSWRXVCY-UHFFFAOYSA-N 442.450 -0.261 5 20 IBBD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 472150630 CCSRFXOLGDTUNM-GOSISDBHSA-N 438.462 -0.089 5 20 IBBD C[S@@](=O)c1nncn1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 487219634 NIKJNSVZNSNSOP-MUUNZHRXSA-N 442.479 -0.543 5 20 IBBD Cn1cc(CN2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)c(=O)n(C)c1=O 506743096 KHNKCXCXBAXUGR-UHFFFAOYSA-N 437.478 -0.282 5 20 IBBD CNC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCO1 543830979 BWARIBQZYQTYOQ-XJKSGUPXSA-N 440.478 -0.031 5 20 IBBD COCC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1 603863654 STOIFKXMZBXVLN-UHFFFAOYSA-N 441.510 -0.174 5 20 IBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 609840522 OJCOOQPYOHJJQP-HNNXBMFYSA-N 437.501 -0.170 5 20 IBBD C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NCCN1CCOCC1 805971313 IBXNWHSMLJZOEG-GFCCVEGCSA-N 434.405 -0.429 5 20 IBBD Cc1nn(C)c(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 920660045 FGGYERUGBBVZOH-QWHCGFSZSA-N 444.466 -0.012 5 20 IBBD O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C3)CCN1 1782270837 RXJVIZPBRPTNED-BBEJJTJUSA-N 434.453 -0.028 5 20 IBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)c1ccnnc1 1785957494 KFSRLVKKADUOKX-ZOBUZTSGSA-N 442.432 -0.160 5 20 IBBD O=C(Cn1cnnn1)NC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 1807609102 OTNKXJCEMSNUKZ-KBXCAEBGSA-N 440.424 -0.421 5 20 IBBD O=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)C3)C2)=NN1 1837363856 OUTRYZVQPXJTJA-IBGZPJMESA-N 447.404 -0.754 5 20 IBBD C[C@H]1C(=O)N(C)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 426165633 ZWTFICXEBKSAKF-AWEZNQCLSA-N 439.494 -0.410 5 20 IBBD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 499764539 HWYQCKWBFZSMOE-LRDDRELGSA-N 440.478 -0.297 5 20 IBBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 532894627 POLQEZRTKHUZCR-UHFFFAOYSA-N 435.437 -0.455 5 20 IBBD CS(=O)(=O)N1CCN(Cc2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)CC1 558384598 LYBCGSYGTRDPAD-UHFFFAOYSA-N 438.466 -0.086 5 20 IBBD O=C(CNCP(=O)(O)O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780416004 UUQBAVSBKCWIBU-HNNXBMFYSA-N 431.342 -0.909 5 20 IBBD Cc1nccn1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1790646013 FKHZRYKXTPIPIU-XIRDDKMYSA-N 431.453 -0.024 5 20 IBBD O=C(NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc[nH]1 1798007893 WERNMQISUKFBFL-DRXBFXEBSA-N 445.436 -0.331 5 20 IBBD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798009806 HYTXIMVQIAFZNQ-JJLQDPRZSA-N 433.425 -0.322 5 20 IBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833271323 WGRHQUAJUHYDQQ-LJQANCHMSA-N 446.420 -0.805 5 20 IBBD O=C(c1ccc[n+]([O-])c1)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1833273853 RKSNUGJEIOJFET-GOSISDBHSA-N 432.393 -0.665 5 20 IBBD CC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CCO2 1838627969 PXKASSLADPTLIR-LJQANCHMSA-N 435.389 -0.018 5 20 IBBD Cc1cc(C(=O)NCC(=O)N2CC3(CCCN3C(=O)Cn3cc([N+](=O)[O-])cn3)C2)no1 1841999772 GFERBUOSSOPIDK-UHFFFAOYSA-N 431.409 -0.279 5 20 IBBD NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1=O 27053537 SXUPQBLEZUTQMO-UHFFFAOYSA-N 449.445 -0.612 5 20 IBBD O=C(NCCN1CCCOCC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 438674947 PUMDLCOGUBBNTR-ZBFHGGJFSA-N 442.494 -0.443 5 20 IBBD Cc1c(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)nnn1-c1cccc([N+](=O)[O-])c1 479118625 LSQOBSFSWGIWAD-LBPRGKRZSA-N 436.450 -0.093 5 20 IBBD N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O 521646218 RJHPMHHDBMWJQJ-BMFZPTHFSA-N 437.478 -0.482 5 20 IBBD O=C(NC1CC1)c1ccc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 589807087 YUNYKMSQGRGFAU-UHFFFAOYSA-N 431.449 -0.006 5 20 IBBD NS(=O)(=O)c1cc(NC2CCN(S(=O)(=O)N3CCOCC3)CC2)cc([N+](=O)[O-])c1 609822634 PGYVLFOAMSADFC-UHFFFAOYSA-N 449.511 -0.305 5 20 IBBD C[C@@H](CN1CCOCC1)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611627119 PUBAYWSCUTYYSK-DZKIICNBSA-N 442.494 -0.444 5 20 IBBD C[C@H](CS(C)(=O)=O)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611642163 PLFHIJGTWSQNMM-MDZLAQPJSA-N 435.480 -0.732 5 20 IBBD COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 919820402 ZBRYOVISUNOIHI-ZDUSSCGKSA-N 447.491 -0.122 5 20 IBBD Cc1nn(C)c(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 920660044 FGGYERUGBBVZOH-OLZOCXBDSA-N 444.466 -0.012 5 20 IBBD CC(=O)N1CCN(C(=O)COC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 920717971 QLMMWBOJHOTPMA-UHFFFAOYSA-N 442.450 -0.503 5 20 IBBD O=C1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4cc([N+](=O)[O-])ccc4[nH]2)C3)N1 1795287872 CNWAHLGQJFXGHZ-UOHMRFDXSA-N 442.432 -0.047 5 20 IBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)n1 1796717909 PIWMDALZWGAIBY-DRXBFXEBSA-N 449.420 -0.346 5 20 IBBD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)c([N+](=O)[O-])cn1)C2 1797964930 RYGUBTQMKUHNAC-CXHZTBPHSA-N 449.464 -0.347 5 20 IBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2)c1n[nH]cc1[N+](=O)[O-] 1798009964 LEKUXKQOHMYWBO-GNXNZQSNSA-N 426.393 -0.122 5 20 IBBD NC(=O)CC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1F 1799489583 IYXSDDBCLMWIFF-RERORNDZSA-N 437.428 -0.470 5 20 IBBD O=C(CN1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837794153 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COc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@@H](N)CCC(N)=O)C3)c([N+](=O)[O-])c1 1845259883 PZSHMYLFJBVZJC-HNNXBMFYSA-N 433.465 -0.058 5 20 IBBD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCn2cc([N+](=O)[O-])cn2)c1 491017344 GIQIOTSPBWMGII-UHFFFAOYSA-N 426.455 -0.200 5 20 IBBD CC[C@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 555933297 PCTMYWJPTTYMBZ-CYBMUJFWSA-N 428.467 -0.031 5 20 IBBD O=C(NC[C@H]1CCCO1)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 585681760 ZSHJWFGJDLHSHR-CQSZACIVSA-N 426.451 -0.277 5 20 IBBD C[C@H](CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[S@](C)=O 611655743 DZTUDRUPEICYCU-NQLCSVSISA-N 433.508 -0.008 5 20 IBBD CS[C@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611655939 HQXMSFCRPANTBI-AUZPSNTRSA-N 433.508 -0.053 5 20 IBBD NC(=O)[C@H](N)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 1780232966 APZZXBGDRHDLMR-BBEGDGIKSA-N 436.469 -0.357 5 20 IBBD 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Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccncc2=O)C3)ncc1[N+](=O)[O-] 1796603015 ADILVJCELASKDN-HBCWATKFSA-N 442.432 -0.242 5 20 IBBD Cn1nncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c2c1OCO2 1798626839 JKFXBKHINIBBES-QHBPRCKVSA-N 444.404 -0.031 5 20 IBBD C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c2c1OCO2 1798628290 XEXDOWRCKVAEQX-OHTBPHCPSA-N 434.405 -0.339 5 20 IBBD C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 1799293079 LCRUIZSCNNUUAT-OVZMXSCWSA-N 430.421 -0.191 5 20 IBBD COCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1830474566 VZPMRCXXKBJIKV-GOSISDBHSA-N 425.442 -0.326 5 20 IBBD Nc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)cs1 1835795884 QDCDOSFWOQRDAK-MRXNPFEDSA-N 437.438 -0.260 5 20 IBBD CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838826383 BZDDAJPWQZGBNI-IBGZPJMESA-N 437.453 -0.235 5 20 IBBD 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436.537 -0.180 5 20 IBBD O=C(NCCO)C1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 771773504 GATLALMZTKVNEU-UHFFFAOYSA-N 428.467 -0.390 5 20 IBBD COC(=O)c1c[nH]nc1S(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 912530040 KYLQJPPGWPCNIC-UHFFFAOYSA-N 447.451 -0.102 5 20 IBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)n2cnnn2)C3)n1 1796719678 VHIBVUVJXOBNNZ-MCYUEQNJSA-N 446.424 -0.551 5 20 IBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2)c1n[nH]cc1[N+](=O)[O-] 1798010795 OSVAAOCJVDYPCM-IEVQFXQGSA-N 433.377 -0.048 5 20 IBBD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CN)C3)cc([N+](=O)[O-])c1OC 1799841474 MJYRSGYDVMVUPT-ZWUHOBOKSA-N 437.453 -0.899 5 20 IBBD Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)n1 1836062865 YHMJSTAFCIIWIY-GOSISDBHSA-N 433.425 -0.636 5 20 IBBD NC(=O)CC[C@H](N)C(=O)N1CCCC12CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)C2 1842880578 CXFOPKHZUMQFHR-HNNXBMFYSA-N 431.449 -0.061 5 20 IBBD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 432682874 UCPSKVUCIRGTPW-ZDUSSCGKSA-N 436.512 -0.047 5 20 IBBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 444040397 QZKYGYREIHSSEU-UKRRQHHQSA-N 433.508 -0.012 5 20 IBBD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 502732482 LFAQJGWEWOTPMB-JKSUJKDBSA-N 440.478 -0.671 5 20 IBBD CCCN(CC(=O)NC)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 533251574 RSGZWOROTLZCOY-UHFFFAOYSA-N 441.510 -0.114 5 20 IBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 536547522 VUBPYTUFTCGUFU-STQMWFEESA-N 444.514 -0.021 5 20 IBBD CN(C)C[C@]1(O)CCCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 619254132 IAKNMZAVPLEVGN-QGZVFWFLSA-N 429.499 -0.041 5 20 IBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 917443963 ROHNVHONEQPECU-UHFFFAOYSA-N 433.402 -0.032 5 20 IBBD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(N)=O)CCO3)C2)c([N+](=O)[O-])cc1O 1780198294 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O=C(COc1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 13288429 MCPRKVTWOHUQIC-OAHLLOKOSA-N 441.462 -0.152 5 20 IBBD CNS(=O)(=O)c1ccc(N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 443899540 UMPQQUCONAJJKF-AWEZNQCLSA-N 441.510 -0.128 5 20 IBBD O=C(C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1)N1CCOCC1 512970157 OMZRIQYAFLXCAX-UHFFFAOYSA-N 446.869 -0.060 5 20 IBBD C[C@@H](C[S@](C)=O)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 589059867 BKLSWGQLNMITGC-JNFKXCBWSA-N 446.507 -0.689 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@]2(C1)CN(C(=O)c1ccncn1)CCO2 1782782246 NXASQMZVNIBRSX-IBGZPJMESA-N 428.405 -0.310 5 20 IBBD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(C)=O)C3)C2)c([N+](=O)[O-])cc1O 1783144040 IVVCVJIMGNDFBZ-IBGZPJMESA-N 436.421 -0.111 5 20 IBBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1790268161 SLMDEUMHKPZIHS-NUTKFTJISA-N 447.496 -0.263 5 20 IBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)n[nH]2)C3)n1 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Cn1cccc1C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1801441077 CWJFUGVUUUADFY-FVCICTRLSA-N 430.421 -0.398 5 20 IBBD NC(=O)CC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1802109241 ZDIDQPGNABGPMA-RJFNHMNASA-N 445.476 -0.210 5 20 IBBD N=C1NCCN1CC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1835866505 BMELHKWYCZUWDO-UHFFFAOYSA-N 447.500 -0.657 5 20 IBBD COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]cc4[N+](=O)[O-])CCO3)C2)n(C)n1 1837794610 XMSXQODZFDSINA-SFHVURJKSA-N 449.424 -0.556 5 20 IBBD O=C(Cn1cncn1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839413814 WGXSIBUHNCYPKE-IBGZPJMESA-N 446.420 -0.338 5 20 IBBD Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840482989 KPDCYJWAZGQYRY-LJQANCHMSA-N 446.420 -0.391 5 20 IBBD Cn1cc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cn1 426861610 LHNZGPKCMBEHFS-UHFFFAOYSA-N 436.450 -0.128 5 20 IBBD C[C@@H](CN1CCN(C)CC1)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 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CC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780237330 ZTDCTKIYORZYRI-IBGZPJMESA-N 434.405 -0.097 5 20 IBBD O=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)Cc4cc(F)ccc4[N+](=O)[O-])C3)C2)=NN1 1785530270 PCTUDFVDDQSPCV-LJQANCHMSA-N 433.396 -0.018 5 20 IBBD CC(=O)C[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832804839 UYFDRBUHVBJZJE-KUHUBIRLSA-N 437.453 -0.137 5 20 IBBD N=C(N)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CCO2 1839352952 AMHVQTRBMKIZCF-GOSISDBHSA-N 438.416 -0.713 5 20 IBBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034704 VVDMQJXXRMTNCN-UHFFFAOYSA-N 436.465 -0.288 5 20 IBBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 465126868 KLVRSIKMPJIIQU-HNNXBMFYSA-N 434.449 -0.042 5 20 IBBD CC(=O)N1CCN(S(=O)(=O)NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 813946552 CHAADDKQAXXXNW-UHFFFAOYSA-N 437.438 -0.377 5 20 IBBD O=C(CN1C(=O)CCC1=O)N1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 918180481 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Cc1noc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C[C@@H]32)n1 1787051238 SOGTYBVTYJIAEX-QEJZJMRPSA-N 433.425 -0.295 5 20 IBBD C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793368805 WGQCAQTZNJQQLV-WISYIIOYSA-N 429.455 -0.798 5 20 IBBD CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])C2 1795362517 CQPKQLQADZQDBD-IVWMJMPLSA-N 443.453 -0.089 5 20 IBBD O=C(CNC(=O)C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1801033713 GFNSKLDCRPUGTQ-WDAIWFPHSA-N 448.358 -0.941 5 20 IBBD CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])[nH]n1)C(=O)C(=O)O 1821715313 IUBBNWASWMNGTA-SNVBAGLBSA-N 448.396 -0.110 5 20 IBBD CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 443515353 JXVUCVDLQPUEGA-UHFFFAOYSA-N 433.512 -0.461 5 20 IBBD O=C(N[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 503494738 RVVHCWPIFUJDBP-LBPRGKRZSA-N 432.480 -0.202 5 20 IBBD CS(=O)(=O)c1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1[N+](=O)[O-] 513471176 KCFWOGBKZGRVHY-GXTWGEPZSA-N 447.491 -0.774 5 20 IBBD C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 532733758 FFAYRSCSDVIYCH-GFCCVEGCSA-N 444.448 -0.396 5 20 IBBD CN(C)C(=O)CN1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 610907757 SKUPNDMIXLBQCK-UHFFFAOYSA-N 442.498 -0.712 5 20 IBBD NC(=O)c1ccc(COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c([N+](=O)[O-])c1 914651379 HEHCUSCBRNTIDW-OLZOCXBDSA-N 425.419 -0.228 5 20 IBBD Cn1ncnc1C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782782632 NBGGCUJZPSXFDR-SFHVURJKSA-N 431.409 -0.971 5 20 IBBD C[C@@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1788723599 REHMZSQIXSVJAK-OTRWWLKZSA-N 446.468 -0.301 5 20 IBBD O=C(NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1)c1nc[nH]c1[N+](=O)[O-] 1808367693 IHSYSVRCMZNZSP-WFASDCNBSA-N 426.397 -0.281 5 20 IBBD O=C(Cc1cnccn1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1830966782 VUCLKDNBWUYKHA-GOSISDBHSA-N 431.409 -0.579 5 20 IBBD N=C(N)NCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CCO2)C1 1832173793 SUFDIIJQTLUNRF-FQEVSTJZSA-N 448.480 -0.533 5 20 IBBD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1)n1cncn1 1832804046 OZMPEAOQDWUFMK-RDTXWAMCSA-N 448.440 -0.900 5 20 IBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1837791633 WTXWJRCAQKGNJY-CRAIPNDOSA-N 435.393 -0.286 5 20 IBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837966169 GGLRCFCPICOCDS-IBGZPJMESA-N 449.420 -0.353 5 20 IBBD CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)CCCOC)CC2)c([N+](=O)[O-])c1 432047482 NBHMKXHPAQLNCO-UHFFFAOYSA-N 436.512 -0.009 5 20 IBBD CCS(=O)(=O)N1CC(CNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 438931953 ZBRSZMQWHZDGSL-UHFFFAOYSA-N 434.496 -0.387 5 20 IBBD O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1N1CCS(=O)(=O)CC1 441809186 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CC(C)(O)CC(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832796145 NIINXDRNQKVAHT-SFHVURJKSA-N 425.442 -0.591 5 20 IBBD O=C(Cc1cccnc1)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1836153391 IIEGHDPFEPTOJB-FQEVSTJZSA-N 444.448 -0.115 5 20 IBBD NC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)C1 1840918138 IREXLOMYSCTNQK-FVIAUOKHSA-N 437.409 -0.674 5 20 IBBD O=C(CNC(=O)C(F)(F)F)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825331 PLXDARMTOVERBZ-UHFFFAOYSA-N 445.354 -0.362 5 20 IBBD COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 496989014 SLGPVOJXLLSAJF-AWEZNQCLSA-N 425.423 -0.161 5 20 IBBD O=C(NCCN1C(=O)CCC1=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 506793024 DDTJVZDCZBTLOO-UHFFFAOYSA-N 439.450 -0.240 5 20 IBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 512312433 HFWVJDBMOFEIQF-CQSZACIVSA-N 438.462 -0.349 5 20 IBBD NC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 532349542 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CO[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1OC 490267544 FAEDIPIXQPNHAT-SPWCGHHHSA-N 429.451 -0.409 5 20 IBBD CS(=O)(=O)N1CC[C@H](CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 510325815 URTIDCDJPTYCAV-GFCCVEGCSA-N 449.511 -0.546 5 20 IBBD Cc1nccc(CNC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1 551858422 NVPILUUKOLACJZ-UHFFFAOYSA-N 448.461 -0.157 5 20 IBBD NC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 592549057 PPDMTWTVRRGNRA-SCRDCRAPSA-N 426.451 -0.557 5 20 IBBD O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611653882 SQEMBNRRNKDTDQ-COMQUAJESA-N 438.462 -0.402 5 20 IBBD O=C(NC[C@H]1COC2(CCOCC2)O1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 806712868 DHMRZWJDPUTMED-HNNXBMFYSA-N 435.437 -0.323 5 20 IBBD CN(CCCNC(=O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)S(C)(=O)=O 917233047 XEYCXGORKCBTRO-QGZVFWFLSA-N 441.466 -0.241 5 20 IBBD CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 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O=C1CCCCN1CC(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825207 DOSYFYQKLLHXLB-UHFFFAOYSA-N 431.449 -0.028 5 20 IBBD COC(=O)CNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 30579139 SZGYAPFWAIACEI-ZDUSSCGKSA-N 428.467 -0.113 5 20 IBBD COCCN(C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)[C@H]1CCS(=O)(=O)C1 525334554 CJVBCAHZTMIHHE-NSHDSACASA-N 435.480 -0.174 5 20 IBBD COC[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCO1 533294783 FKLLDCZLQSTVTJ-INIZCTEOSA-N 442.494 -0.225 5 20 IBBD NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 533781664 WQXIPIROZVARHX-KGLIPLIRSA-N 432.480 -0.363 5 20 IBBD O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 572521322 HCXNCRBVGSIHRY-UHFFFAOYSA-N 437.434 -0.297 5 20 IBBD CCS(=O)(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1793529606 RXRKKTQHGDTOQA-YIYPIFLZSA-N 442.498 -0.243 5 20 IBBD CS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1835246938 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O=C1CC[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)CN1 1792663534 LYYKYLWWCGDMSX-XQLPTFJDSA-N 431.449 -0.079 5 20 IBBD O=C(COCCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 1799338335 CPLIYUCFDOZQCI-DPIQGUFMSA-N 433.421 -0.317 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csnn1)C2 1800281313 GFHHUWHBGKDNDZ-QHBPRCKVSA-N 434.434 -0.489 5 20 IBBD COc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)C2)ccc1[N+](=O)[O-] 1800525731 PDAJBAVYDUTDOH-GXNBUGAJSA-N 446.460 -0.128 5 20 IBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829813289 HSESZVVFTULEIZ-HKUYNNGSSA-N 449.420 -0.426 5 20 IBBD Nc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)cs1 1835794317 DPTNJQNZHUOJBI-MRXNPFEDSA-N 437.438 -0.260 5 20 IBBD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838827155 UOMVWKPLYXGDLJ-BFUOFWGJSA-N 435.437 -0.316 5 20 IBBD CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)CC2)CC1 483852036 CRSAJSANSVMWPK-UHFFFAOYSA-N 441.466 -0.427 5 20 IBBD O=C1CN(CCCNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CCN1 514431215 YSHLUVRYPPYWDT-UHFFFAOYSA-N 427.483 -0.151 5 20 IBBD CCOC(=O)C=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(=O)NCCOC 514646785 LLTLCUQQVHZHKW-UHFFFAOYSA-N 435.458 -0.247 5 20 IBBD CN(C)S(=O)(=O)NCC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 590422263 GRAZVUDRERWEDC-UHFFFAOYSA-N 449.511 -0.957 5 20 IBBD CC(=O)N1CCN(c2ccc(C(=O)NS(=O)(=O)c3cnnn3C)cc2[N+](=O)[O-])CC1 781736734 HMWCDCMEQNCGFU-UHFFFAOYSA-N 437.438 -0.490 5 20 IBBD COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C2=NNC(=O)C2)CCO3)c([N+](=O)[O-])c1 1781412359 PZVFCYWYAGNTTR-HXUWFJFHSA-N 445.432 -0.148 5 20 IBBD CC(=O)N(C)[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782782673 QNFXFEFFXBIFMD-VBKZILBWSA-N 449.464 -0.547 5 20 IBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21)c1cnsn1 1785662824 KSXOHSWHLMGOLH-HUBLWGQQSA-N 448.461 -0.099 5 20 IBBD N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)c1ccccn1 1795610814 YAWHMVWFNVSBIP-JGTCGTHISA-N 429.437 -0.524 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cn[nH]c1)C2 1800281483 OAMVQZNOAALVKD-CCWDJLKJSA-N 444.448 -0.298 5 20 IBBD NC(=O)NCC(=O)NC[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 1814223332 TVYPSVOPNWBNBF-DYVFJYSZSA-N 430.425 -0.439 5 20 IBBD O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])[nH]n1 1815767730 OYKQBLYHNLKHTA-VHSXEESVSA-N 445.396 -0.055 5 20 IBBD C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2)C(=O)O 1832804794 UVDCQCANQSDIBI-BXIWPEDZSA-N 437.409 -0.721 5 20 IBBD Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=N)N)CCO3)C2)cc1[N+](=O)[O-] 1835575323 KJDYWXXOAQBFBS-FQEVSTJZSA-N 448.480 -0.615 5 20 IBBD CC1=C(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)CCO1 1836268671 NJZXGWMIVOVOHK-IBGZPJMESA-N 435.437 -0.058 5 20 IBBD Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1836507935 BKWDNPMHASSSCG-GOSISDBHSA-N 433.425 -0.407 5 20 IBBD COc1cc(OCC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)ccc1[N+](=O)[O-] 468854551 HIACUULNFMAPCK-UHFFFAOYSA-N 426.411 -0.367 5 20 IBBD CN1CCN(S(=O)(=O)c2ccc(N3CCN4C(=O)NC(=O)[C@@H]4C3)c([N+](=O)[O-])c2)CC1 485160076 HQDUCWGREBSPEO-HNNXBMFYSA-N 438.466 -0.729 5 20 IBBD CO[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1OC 487966313 WGUQNQZNVDTFCV-CALCHBBNSA-N 442.494 -0.227 5 20 IBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H](C(N)=O)O3)CC2)c([N+](=O)[O-])c1 525991246 WYGNVRPJEVYSGI-GJZGRUSLSA-N 426.451 -0.320 5 20 IBBD Cc1cc(CNC(=O)C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 588200492 CDNAQUBTBIQARK-UHFFFAOYSA-N 436.450 -0.224 5 20 IBBD NS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 610060816 KAUOOOVVNYRLRG-NEPJUHHUSA-N 429.455 -0.176 5 20 IBBD O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 791330396 KMGGTFNGDBANNH-GFCCVEGCSA-N 433.464 -0.425 5 20 IBBD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1781199214 ASLHTRTZZQBBGI-AUUYWEPGSA-N 433.421 -0.091 5 20 IBBD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1)N1CCN(C)CC1 1787478137 UVUOGJCLQMYNTE-VGWMRTNUSA-N 449.512 -0.453 5 20 IBBD O=C(/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1)NC1CC1 1788814055 FHXLYECORRZEJE-FMWUXJEVSA-N 432.437 -0.254 5 20 IBBD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 1789390184 UMVAFOBJAFAZLK-GPMKHBRKSA-N 439.425 -0.419 5 20 IBBD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796402561 XMVOYYSBCBFASG-DABQJJPHSA-N 433.425 -0.322 5 20 IBBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2c[nH]c(=O)cn2)C3)n1 1796721002 RKONBYPHWKUCIQ-CULMDFNYSA-N 444.404 -0.401 5 20 IBBD O=C(CCc1cnccn1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1836508171 ODAPPNRAENERAU-LJQANCHMSA-N 445.436 -0.189 5 20 IBBD CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCNC2=O)cc1[N+](=O)[O-] 9550480 NFPYEQWMAWBITL-UHFFFAOYSA-N 432.436 -0.310 5 20 IBBD COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)NC2CC2)CC1 468951404 JRXFFUDFYOYOHJ-UHFFFAOYSA-N 426.451 -0.034 5 20 IBBD C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCCF 504475555 PXPGEWACTWAQPY-MDZLAQPJSA-N 432.430 -0.691 5 20 IBBD CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])O1 537080660 OXBQTDURNJIRJQ-JSGCOSHPSA-N 443.482 -0.192 5 20 IBBD O=C(NC[C@@H]1CCCOC1)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 585773630 YHDIYNNMQKLUCN-AWEZNQCLSA-N 440.478 -0.030 5 20 IBBD Nc1c(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc(F)cc1[N+](=O)[O-] 609836303 CQNUACBOVNEBCD-GFCCVEGCSA-N 443.457 -0.623 5 20 IBBD COCC[C@@](C)(O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611648198 ZJAOKZNTAXIAJE-HACGYAERSA-N 431.467 -0.378 5 20 IBBD CN(CC(=O)OCC(=O)NCC(=O)NC(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738674696 UCRAOHWPPGWTOM-UHFFFAOYSA-N 444.466 -0.211 5 20 IBBD CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 799254386 YGVOOEDKNZOABI-UHFFFAOYSA-N 430.439 -0.290 5 20 IBBD O=C(COc1ccc(O)nn1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779389116 MDEGNBSLUMIVRE-QGZVFWFLSA-N 433.381 -0.664 5 20 IBBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1782050408 ZNUJBGIOUKDNDI-LJQANCHMSA-N 444.452 -0.209 5 20 IBBD N=C(N)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 1790755034 NLNJTIFSRJNKBS-NOLJZWGESA-N 436.444 -0.261 5 20 IBBD CC(=O)N/C(C)=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800284967 KSSOVCUZRRGETA-IDMWDGCQSA-N 447.448 -0.614 5 20 IBBD O=C1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cccc([N+](=O)[O-])c2=O)CN1 1801354453 HJRRWHVFWINQNZ-APIJFGDWSA-N 431.449 -0.079 5 20 IBBD NC(=O)CC[C@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 1820298871 UCCWEJYWYGQYIG-SFYZADRCSA-N 436.454 -0.407 5 20 IBBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829824355 VLTFOMPXZJENHA-RDTXWAMCSA-N 435.393 -0.286 5 20 IBBD CNC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 430881109 YGFORUXKWUDLOR-UHFFFAOYSA-N 429.455 -0.245 5 20 IBBD COc1c(O)nc(O)nc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 473297786 YBTIWTBTJFKQEL-UHFFFAOYSA-N 439.406 -0.049 5 20 IBBD COC[C@@H](C(N)=O)N(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 500414052 JBMSDNLNGVBVCP-WFASDCNBSA-N 428.467 -0.046 5 20 IBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CC[C@H](C(N)=O)O3)CC2)c([N+](=O)[O-])c1 525991245 WYGNVRPJEVYSGI-CABCVRRESA-N 426.451 -0.320 5 20 IBBD CCC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 611656055 KSALKLPUPDVBAU-NFAWXSAZSA-N 440.478 -0.154 5 20 IBBD NS(=O)(=O)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 775483716 RDBHTWPSWRIXBX-ZDUSSCGKSA-N 434.496 -0.127 5 20 IBBD CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)c([N+](=O)[O-])c1 1799484282 LYKSAHVCYGFFKY-FVCICTRLSA-N 441.462 -0.062 5 20 IBBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1829625677 LXNUOZYQPIUWCP-FQEVSTJZSA-N 444.448 -0.115 5 20 IBBD CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)n[nH]1 1833824093 CKABOQXUIYJAJU-GOSISDBHSA-N 447.408 -0.373 5 20 IBBD O=C(COCCO)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1839196479 XXQCPNUZQXLNMD-LJQANCHMSA-N 439.421 -0.621 5 20 IBBD O=C(Cn1ccncc1=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1839661719 IBBTWELRUTZMBB-IBGZPJMESA-N 447.404 -0.485 5 20 IBBD O=C(C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1)C1CC1 1839717670 LJOLKUWZKSZYPO-HXUWFJFHSA-N 448.432 -0.808 5 20 IBBD NS(=O)(=O)CCN1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 478281618 DAPIKYFQAFPXEB-UHFFFAOYSA-N 433.874 -0.589 5 20 IBBD Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[nH]3)C2=O)cn1 502849319 XVBJPJWODOFDBG-CYBMUJFWSA-N 426.393 -0.258 5 20 IBBD CC(C)c1[nH]nc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1[N+](=O)[O-] 771291567 KGSXPQLFSAIGNX-NSHDSACASA-N 449.511 -0.284 5 20 IBBD CC[S@@](=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1778817002 ZFBNDHBASHZPBO-CQGGRAHPSA-N 427.483 -0.220 5 20 IBBD NC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)[C@H]2C1 1789220816 BGYDKFUFUGGTFP-RCBQFDQVSA-N 447.448 -0.209 5 20 IBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)[C@@H]1CCCS1(=O)=O 1790748701 ZAGNZGCTESKOGY-CYDGBPFRSA-N 441.466 -0.512 5 20 IBBD CN1CCC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)C1 1799119778 GTUQTFHUBUSZRV-OAFZBRQQSA-N 447.492 -0.312 5 20 IBBD O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1)N[C@@H]1CCS(=O)(=O)C1 439445278 BUGIZBWNGUVZAB-CYBMUJFWSA-N 426.451 -0.639 5 20 IBBD C[S@@](=O)C1(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 442923877 JKRKOCRMESHDGX-HFTVITHYSA-N 431.492 -0.254 5 20 IBBD CN(C)C[C@@](C)(O)CNc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 443711869 RXBIBNZCIWZQBG-SFHVURJKSA-N 445.542 -0.070 5 20 IBBD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 468452150 UAWOLIMWMPTLQO-RYUDHWBXSA-N 430.487 -0.363 5 20 IBBD O=C(CO)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 497428335 HQMDERMKPJWUBH-OAHLLOKOSA-N 426.451 -0.589 5 20 IBBD C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 611656385 RJUGDOZLXJBYJW-LQKXBSAESA-N 442.494 -0.446 5 20 IBBD CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 917388762 KIAMUELHLZVALD-UHFFFAOYSA-N 426.499 -0.431 5 20 IBBD O=C(Cn1cnc([N+](=O)[O-])n1)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 919519869 KYWMPBFYSGFAFS-UHFFFAOYSA-N 438.422 -0.737 5 20 IBBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1116423642 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IBBD CN1CCN(CCNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1(C)C 558512368 XDJYANXNILDIGN-UHFFFAOYSA-N 433.513 -0.219 5 20 IBBD O=C(COCCO)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780237391 MMMSERSUFRZVAS-LJQANCHMSA-N 437.405 -0.224 5 20 IBBD O=C(Cc1ncccn1)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782782023 BNHURLPUOPUBOT-FQEVSTJZSA-N 442.432 -0.381 5 20 IBBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1799828866 IWDIHPZLNRPKAD-JPVZDGGYSA-N 449.464 -0.595 5 20 IBBD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829485510 JQSXHGKKRXBQMF-BFUOFWGJSA-N 436.421 -0.052 5 20 IBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829910373 DVQPQZFKBISSFD-QFBILLFUSA-N 437.453 -0.183 5 20 IBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1832796358 YFMKCPNODFCBPL-GOSISDBHSA-N 447.408 -0.943 5 20 IBBD O=C(CCc1cn[nH]c1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1832941207 YTXAAEHMKGOBEN-SFHVURJKSA-N 433.425 -0.256 5 20 IBBD O=C(c1cc2n(n1)CCC2)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1837091605 YLNNFKFREGWPAK-IBGZPJMESA-N 445.436 -0.156 5 20 IBBD CN(C)S(=O)(=O)N1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 428021416 NGHQWTCAJRLLAA-UHFFFAOYSA-N 442.498 -0.265 5 20 IBBD O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 467974786 LPHDIRFQVTYXRO-UHFFFAOYSA-N 430.421 -0.053 5 20 IBBD C[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC(=O)N1C 506508480 PYWAWICPLMIFRC-DYEKYZERSA-N 426.451 -0.592 5 20 IBBD C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCS(=O)(=O)CC1 518801060 YNZIJBITLWUOEV-GFCCVEGCSA-N 426.451 -0.524 5 20 IBBD O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 521953486 GROVRDXMHPUFJR-CYBMUJFWSA-N 433.421 -0.258 5 20 IBBD NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 523078516 OESQYDHNLILXMS-UHFFFAOYSA-N 434.434 -0.076 5 20 IBBD CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 533541976 YUXKIFJMRHELRH-GJZGRUSLSA-N 446.507 -0.102 5 20 IBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)cc1[N+](=O)[O-] 603776467 OVCWSECLXIULJN-GFCCVEGCSA-N 426.451 -0.038 5 20 IBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3NC(=O)O[C@@H]3C)CC2)cc1[N+](=O)[O-] 789944685 WJOBSUBZERZYJX-YGRLFVJLSA-N 428.423 -0.067 5 20 IBBD Cc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)cc1[N+](=O)[O-] 1781303936 PBRCIGIYOYZZBL-KKSFZXQISA-N 447.492 -0.132 5 20 IBBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786808627 QTUFWODHZVISTP-RBOXIYTFSA-N 434.453 -0.315 5 20 IBBD Nc1n[nH]c(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]cc4[N+](=O)[O-])[C@H]3C2)n1 1788814076 GDAGGOZRXGEHSD-NHCYSSNCSA-N 433.429 -0.756 5 20 IBBD NC(=O)c1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1789092327 XUACEAIMAVILEW-DCAQKATOSA-N 444.408 -0.886 5 20 IBBD O=C(Cn1cccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1795870566 MVIPZTYKPYKYNI-ZSBFGKGUSA-N 430.421 -0.757 5 20 IBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1nn[nH]c1C(F)(F)F 1798712290 PLKXXTWKSAHZGO-SRSLHRDFSA-N 444.330 -0.028 5 20 IBBD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)nn1C 1834121075 TZFUKUVJGIEKDP-GOSISDBHSA-N 433.425 -0.256 5 20 IBBD O=C(CCN1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1836510515 FPRDMGLJCQOOMR-LJQANCHMSA-N 436.469 -0.126 5 20 IBBD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1837698994 ZHTQMCKNMWYYTI-KZULUSFZSA-N 436.425 -0.921 5 20 IBBD NC(=O)C1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 23699858 OBSOBPVTPKNTSW-UHFFFAOYSA-N 439.494 -0.375 5 20 IBBD CNC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 468727226 XLYABBYMLXKODQ-SCRDCRAPSA-N 441.466 -0.751 5 20 IBBD NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)O1 470810946 KXTGSDCJIIBONU-QEJZJMRPSA-N 426.451 -0.103 5 20 IBBD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 511227264 AOZITPNQJRZUJY-CYBMUJFWSA-N 434.496 -0.197 5 20 IBBD O=C(CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 530298149 ASWZSOPYDOQLQD-CQSZACIVSA-N 431.492 -0.300 5 20 IBBD O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 533515145 IIJCNAZBHISFBA-HOCLYGCPSA-N 440.478 -0.020 5 20 IBBD CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CC2)CC1 535411833 AHPCNTDCJMNSRK-UHFFFAOYSA-N 440.526 -0.043 5 20 IBBD COCC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 603476942 VYKKJLFFZLSGIY-UHFFFAOYSA-N 428.467 -0.089 5 20 IBBD CN(C)CCNC(=O)Cn1cc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cn1 610184052 AKQXOSCUBRQRCL-UHFFFAOYSA-N 445.436 -0.167 5 20 IBBD CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792355735 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O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 609824581 GREGIDDMWXDPED-UHFFFAOYSA-N 434.496 -0.086 5 20 IBBD CSc1ccc(S(=O)(=O)NCC(=O)OCCNS(C)(=O)=O)cc1[N+](=O)[O-] 730603074 NJXBCEJUPNLOGC-UHFFFAOYSA-N 427.482 -0.313 5 20 IBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778462320 ODHPLDBZJUMWFX-IBGZPJMESA-N 440.420 -0.022 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(CCN(C(=O)c3cccnn3)C2)C1 1779465412 OMZMYIRDUKULHZ-IBGZPJMESA-N 428.405 -0.310 5 20 IBBD COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=N)N)[C@H]3C2)c([N+](=O)[O-])c1 1786808722 XGQSCGSUNVKHPY-QRTARXTBSA-N 448.480 -0.391 5 20 IBBD CS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc([N+](=O)[O-])ccc1F 1793806190 SSNGEHZEDOYDFG-IVWMJMPLSA-N 443.453 -0.089 5 20 IBBD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CC(=O)NC2=O)ncc1[N+](=O)[O-] 1793833660 BBHJBMBTCMKYSP-DPIQGUFMSA-N 446.420 -0.947 5 20 IBBD O=C(CNC1(CO)CCOCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 533421154 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IBBD O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 21421712 LLIUIVPCWXHRCL-UHFFFAOYSA-N 435.437 -0.262 5 20 IBBD Cn1c(NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nc2c1c(O)nc(=O)n2C 436198424 ORHYOVOGPWELGC-UHFFFAOYSA-N 437.438 0.208 5 20 IBBD CC(C)(NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 460817582 VAILQKVKLUVCOE-UHFFFAOYSA-N 434.496 -0.245 5 20 IBBD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccc(-n3ccnc3)c([N+](=O)[O-])c1)C2 469879973 ORPICXPRDSGKGT-UHFFFAOYSA-N 440.420 -0.117 5 20 IBBD CCOc1ccc(NC(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c([N+](=O)[O-])c1 498989271 RKDOVBARFPXHPK-IAGOWNOFSA-N 442.494 -0.293 5 20 IBBD CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 530823504 UWEFBWFUIFDSTI-FZMZJTMJSA-N 436.512 -0.047 5 20 IBBD Cc1cc(C(=O)NCC(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)ccc1[N+](=O)[O-] 542984473 MVCHVVKCAUAQRQ-LBPRGKRZSA-N 426.451 -0.605 5 20 IBBD CCS(=O)(=O)NCCS(=O)(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 566367099 NFWANKHZCMFVOR-UHFFFAOYSA-N 434.496 -0.378 5 20 IBBD NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1=O 600864798 XQIDQESQEAAJIJ-GFCCVEGCSA-N 426.451 -0.186 5 20 IBBD COc1ccc(C(=O)NCC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1[N+](=O)[O-] 610340036 OTFOWJMNFPCNIX-HNNXBMFYSA-N 449.464 -0.618 5 20 IBBD O=C1CC(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nc4cc([N+](=O)[O-])ccc4[nH]2)CCO3)=NN1 1778942193 ZWVSYQJEHLWGKW-IBGZPJMESA-N 441.404 -0.210 5 20 IBBD O=C(c1cc([N+](=O)[O-])cc2c1OCC2)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1780092687 SHRMSYYQPCAQKI-WJPUGNRLSA-N 446.460 -0.304 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@@]2(C1)CN(C(=O)c1ncccn1)CCO2 1782782964 QEOCKAPWIPBQRS-LJQANCHMSA-N 428.405 -0.310 5 20 IBBD C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782785504 LFDGOOKAMREYEV-DJJJIMSYSA-N 435.437 -0.902 5 20 IBBD Nc1n[nH]c(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C[C@@H]32)n1 1788505559 JXLTXTAARYYVQQ-DCAQKATOSA-N 433.429 -0.756 5 20 IBBD 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C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)NCCN1CCOCC1 805972192 QZCIYMJZIKOHGS-GFCCVEGCSA-N 429.451 -0.008 5 20 IBBD NC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 1783436942 XNIQZGLBIVAPPP-DKIMLUQUSA-N 447.492 -0.290 5 20 IBBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)n4cnnn4)C3)C2)n1 1784596044 RFVVPVVKTCYEAI-SGTLLEGYSA-N 446.424 -0.310 5 20 IBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)c1cccc(=O)n1O 1785632694 WNHYGUWCWSOHNN-MJVIPROJSA-N 432.393 -0.376 5 20 IBBD NC[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 1787426418 CPSMGKKXRQFVOC-SDPXSBNPSA-N 431.453 -0.650 5 20 IBBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(N)=O)C3)c1 1798539250 VXMPORKFAPCLMU-DPIQGUFMSA-N 434.453 -0.468 5 20 IBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)C2)[C@@H]1C[C@H](O)CN1 1799141153 JIHRJWBVZOIBJV-VLMXICCQSA-N 446.460 -0.544 5 20 IBBD 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C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 617884260 YHZLHNGHVUDFLG-LBPRGKRZSA-N 436.450 -0.031 5 20 IBBD CN1CCN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)CC2)CC1 786768017 KRPHOBBYKFYXOJ-UHFFFAOYSA-N 447.539 -0.388 5 20 IBBD C=CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800282070 FNUHRYZQRLEDHZ-ZUMXRPEOSA-N 447.448 -0.963 5 20 IBBD Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)cc1O 1833406773 GCEDKPOZQRUFGE-GOSISDBHSA-N 434.409 -0.254 5 20 IBBD Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1835624707 BICZMTSSVCMGGV-KRWDZBQOSA-N 435.397 -0.420 5 20 IBBD COC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(N3CCN(CC(=O)OC)CC3)n2)CC1 433600869 VYJOEGZOFIJRGN-UHFFFAOYSA-N 436.469 -0.420 5 20 IBBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 444032246 CJLHFJAXJSBXBP-CABCVRRESA-N 433.508 -0.067 5 20 IBBD Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1[N+](=O)[O-] 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IBBD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1)n1ccnn1 1839709756 RDMNYBQHXJYFOG-ACJLOTCBSA-N 433.425 -0.154 5 20 IBBD C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 443039403 SHUCADJLUFFMCY-UQFNBPPOSA-N 426.451 -0.641 5 20 IBBD COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 487117593 PSIRAZQQVYTZLB-LBPRGKRZSA-N 429.407 -0.868 5 20 IBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COCCN3C)CC2)cc1[N+](=O)[O-] 505180961 ZVVUVOJIJPEMTP-OAHLLOKOSA-N 428.467 -0.233 5 20 IBBD C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)N1CCS(=O)(=O)CC1 609447997 KCGCXEZOTVGSAK-JTQLQIEISA-N 444.491 -0.453 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784852198 KQNIABSYWFKDJM-HWKAVOKNSA-N 432.433 -0.521 5 20 IBBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(O)O)CCO3)c1 1830396308 LGZSKLMTZGSFKP-IBGZPJMESA-N 438.437 -0.959 5 20 IBBD CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832793052 BTDNRGSLJDKMER-UCLAIMLFSA-N 439.469 -0.345 5 20 IBBD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)no1 1837800155 XQQNHRRFBVQDRX-SFHVURJKSA-N 434.409 -0.073 5 20 IBBD C[C@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839274717 PKSMWRGVVJADCQ-DJJJIMSYSA-N 436.421 -0.495 5 20 IBBD C[C@@H](C(=O)N1CCOCC1)N1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 443889661 RGSZTDUCKNQESR-ZDUSSCGKSA-N 427.483 -0.389 5 20 IBBD COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnnn3C)CC2)cc1[N+](=O)[O-] 477519586 CBJYIWUEJKZZDC-UHFFFAOYSA-N 446.467 -0.573 5 20 IBBD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 499623871 DQVIZZXYVYZUKK-MEBBXXQBSA-N 428.467 -0.198 5 20 IBBD Cc1c(CNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cccc1[N+](=O)[O-] 564018766 CAYAJGMPOATPNP-UHFFFAOYSA-N 433.465 -0.478 5 20 IBBD CCC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 611656051 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COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCCS(=O)(=O)N1CCOCC1 731621207 CHPQVRODVHJUMD-UHFFFAOYSA-N 431.423 -0.427 5 20 IBBD Cn1c(=O)c2cc(C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cnc2n(C)c1=O 770775367 KXUILGVXPMKPCW-UHFFFAOYSA-N 437.365 -0.202 5 20 IBBD O=C(CNC(=O)C(F)(F)F)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779396250 XNDLXCKJANDMGM-CQSZACIVSA-N 434.331 -0.560 5 20 IBBD Cc1ccn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cc([N+](=O)[O-])cn4)[C@H]3C2)n1 1785213814 VJDUMMVWFHTDJC-XIRDDKMYSA-N 431.453 -0.024 5 20 IBBD O=C(O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4n[nH]cc4[N+](=O)[O-])[C@H]3C2)ncn1 1788810521 WNCBRZAJMPNTKM-BHDSKKPTSA-N 445.392 -0.287 5 20 IBBD O=C(Cc1cc([N+](=O)[O-])ccc1F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1793807044 WSIRDFUPSLPHHO-RBNVPPIJSA-N 436.396 -0.026 5 20 IBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)c1ccc(O)nn1 1794566176 ZZZFHGHMGCMADI-DPIQGUFMSA-N 444.404 -0.845 5 20 IBBD O=C(Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1797888046 OGZOOZMLCPWSAA-FVCICTRLSA-N 443.420 -0.585 5 20 IBBD O=C(COCCO)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)CCO2 1829625658 LKTGLIGMONMGCT-FQEVSTJZSA-N 437.449 -0.397 5 20 IBBD CC1=C(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)CCO1 1832796206 PIIJCJZMHFKPEB-IBGZPJMESA-N 435.437 -0.058 5 20 IBBD O=C(Cn1cccn1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832796512 ZPLGTIKVLOGBOX-SFHVURJKSA-N 433.425 -0.856 5 20 IBBD CCN(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832799707 CDYQJIBGISBVPS-HNAYVOBHSA-N 438.485 -0.412 5 20 IBBD CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838826400 CRWWUTCJPRGKBX-XIKOKIGWSA-N 438.441 -0.560 5 20 IBBD COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CN3C(=O)CNC3=O)C2)c([N+](=O)[O-])c1 1841848239 XGEHGORPGFDRBD-UHFFFAOYSA-N 445.432 -0.099 5 20 IBBD O=C(Nc1cccnc1)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 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445.436 -0.163 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)[nH]1)C2 1800283795 AOARAMBEPITVTF-QHBPRCKVSA-N 432.393 -0.911 5 20 IBBD Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1831866947 JGUXCRJKXBVBPS-IBGZPJMESA-N 447.452 -0.397 5 20 IBBD COc1cc(CCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c([N+](=O)[O-])cc1OC 11081319 VSPQZNRXTJXULL-UHFFFAOYSA-N 446.420 -0.282 5 20 IBBD COCCCN(CCO)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 438531128 HHLQLLCARWNLJQ-ZFWWWQNUSA-N 431.467 -0.424 5 20 IBBD O=C(NCCNc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(CCN2CCOCC2)n1 448486126 QWMNRWPGNPNXTO-UHFFFAOYSA-N 431.453 0.290 5 20 IBBD CCNC(=O)N1CC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 472482567 FTWFFZZKCLXXQA-GFCCVEGCSA-N 428.471 -0.024 5 20 IBBD COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 533058629 PLNABOXZYRWFCC-GJZGRUSLSA-N 428.467 -0.371 5 20 IBBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(CC(=O)Nc2nncs2)CC1 542972836 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NC(=O)[C@@H](N)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 1781763760 AKEQTOZSOLWMDJ-KXBFYZLASA-N 437.428 -0.230 5 20 IBBD O=C(CN1C(=O)CNC1=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1781770232 UKYWQTPWPXAMEB-IBGZPJMESA-N 449.395 -0.271 5 20 IBBD O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@H]21 1784804254 RERSIGVGZYLMJO-YDHLFZDLSA-N 445.432 -0.169 5 20 IBBD O=C(Cn1ccnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2 1795893647 DUUQGXHTJKYHLC-DPIQGUFMSA-N 440.420 -0.034 5 20 IBBD C[C@@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 1799797969 AVFLNLXYCRRWRN-ZUMXRPEOSA-N 433.465 -0.002 5 20 IBBD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1)n1cnnn1 1829490074 PWYAKBDACCFNEV-SJKOYZFVSA-N 435.397 -0.495 5 20 IBBD CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1831340450 SVWZQAMXQIQOQL-QGZVFWFLSA-N 444.466 -0.572 5 20 IBBD C[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCO2)C1 1838525906 PAFYJEPMFMOHDE-XCLFUZPHSA-N 435.433 -0.020 5 20 IBBD NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839415103 PZLNINWONCCWHJ-IBGZPJMESA-N 436.421 -0.364 5 20 IBBD NC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1840921072 BDZHJNBNFOTZEX-SFHVURJKSA-N 437.409 -0.961 5 20 IBBD C[C@@H]1CO[C@@H](CO)CN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 485262472 QKGLOSFGCXZLDL-GDBMZVCRSA-N 442.494 -0.491 5 20 IBBD C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC[S@@]1=O 584379700 OWKNGZUDEZSXOG-POXGOYDTSA-N 444.535 -0.120 5 20 IBBD CCc1nncn1CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611643609 GAKUVNAKXKEZSK-JSGCOSHPSA-N 438.466 -0.311 5 20 IBBD CC[C@@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)N1CCOCC1 807776901 HHCRSIOYOSQEJV-QGZVFWFLSA-N 433.465 -0.003 5 20 IBBD COC(=O)C(C)(C)CS(=O)(=O)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 811137757 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O=C(CNS(=O)(=O)c1ccccc1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 518626732 CSSHGAZHCPTHNC-UHFFFAOYSA-N 442.475 -0.032 5 20 IBBD CCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1784366939 SPTUILGQLVJFAK-VRKREXBASA-N 436.469 -0.314 5 20 IBBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785630207 OMIAVTZZGGJFNB-LJQANCHMSA-N 434.453 -0.227 5 20 IBBD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOC2=O)ncc1[N+](=O)[O-] 1793164866 SQXRGCSWPLJPHE-FVCICTRLSA-N 433.421 -0.046 5 20 IBBD NC(=O)[C@@H](N)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1795635694 HVIPHYURJCVELU-RBNVPPIJSA-N 435.437 -0.904 5 20 IBBD O=C1CC(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)CC3)=NN1 1819663852 MSJWRNNVKWWNRB-QMMMGPOBSA-N 432.422 -0.264 5 20 IBBD N=C1NCCN1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1829484140 FIDXNTZJEDHRCJ-GOSISDBHSA-N 436.425 -0.902 5 20 IBBD Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]cc4[N+](=O)[O-])CCO3)C2)cccc1=O 1837794507 VTDJYDFISSFHKT-IBGZPJMESA-N 446.420 -0.600 5 20 IBBD O=[N+]([O-])c1cccc(S(=O)(=O)NCCNS(=O)(=O)CCCN2CCOCC2)c1 463355028 SLABTIYHKQCHJP-UHFFFAOYSA-N 436.512 -0.485 5 20 IBBD COc1ccc(S(=O)(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1[N+](=O)[O-] 466746745 APBGZPLNKCRLBU-UHFFFAOYSA-N 440.438 -0.746 5 20 IBBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cnc2n(c1=O)CCS2 512874985 XEOVGZURCIFECO-UHFFFAOYSA-N 425.448 -0.035 5 20 IBBD CC(C)CN(C(=O)COC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCS(=O)(=O)C1 748916907 LMWRGZWAHJXMFE-CQSZACIVSA-N 429.451 -0.029 5 20 IBBD C[C@@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)N1CCC[C@@H](C(N)=O)C1 927359320 LGUZJAQCCVPYAF-VXGBXAGGSA-N 434.405 -0.024 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1782785104 DFEMAFPNUMUTJB-PXNSSMCTSA-N 446.416 -0.087 5 20 IBBD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)ncc1[N+](=O)[O-] 1793943136 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448.392 -0.492 5 20 IBBD O=C1NC(=O)[C@@H](CC(=O)N2CC3(CCCN3C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)N1 1844689060 AONOWHMYOJIEMD-CQSZACIVSA-N 443.416 -0.055 5 20 IBBD COc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)NC3CC3)CC2)cc1[N+](=O)[O-] 25399455 VKKARCPUVJMRPT-UHFFFAOYSA-N 441.466 -0.102 5 20 IBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nnn(C)n3)CC2)cc1[N+](=O)[O-] 427105810 BIMFOSQWKTZLER-UHFFFAOYSA-N 440.442 -0.657 5 20 IBBD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 509726241 BEQKTDOHLBGJBC-WDEREUQCSA-N 435.480 -0.179 5 20 IBBD C[C@H](CCN(C)C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 552192129 FTYWFRHYJFWNPS-CQSZACIVSA-N 441.510 -0.116 5 20 IBBD COCC[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 553010811 AIVKEHAGIIIRRC-CYBMUJFWSA-N 428.467 -0.031 5 20 IBBD Cn1ccnc1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 561300439 PXQWOYDSIUQDHT-UHFFFAOYSA-N 436.450 -0.522 5 20 IBBD CS(=O)(=O)CCOCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 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446.391 -0.138 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccco1)C2 1800281093 NMMOQQQNBPCXEN-JGTCGTHISA-N 446.416 -0.327 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)C=CC1=O 1802543461 WIPPRXMJGZFHJI-BTTYYORXSA-N 443.416 -0.680 5 20 IBBD O=C1NCCn2nc(C(=O)N3CC4(CCCN4C(=O)Cn4cc([N+](=O)[O-])cn4)C3)cc21 1841999417 QSHRBDCWHXLSLQ-UHFFFAOYSA-N 428.409 -0.752 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC2(CCCN2C(=O)COc2cccnn2)C1 1846593956 PHKIMGOBKGFSSG-UHFFFAOYSA-N 428.405 -0.171 5 20 IBBD C[C@H](O)CN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@@H](C)CO 443310818 QHUJSLODFOBYRZ-GJZGRUSLSA-N 444.510 -0.509 5 20 IBBD O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 471310921 ITPWRZYGICWFFU-HUUCEWRRSA-N 441.462 -0.789 5 20 IBBD COC(=O)C(C)(C)NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 533277502 UIGNQQUYEYPPOK-UHFFFAOYSA-N 428.467 -0.031 5 20 IBBD Cc1nn(CCC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c(C)c1[N+](=O)[O-] 608800318 PHVIWPIFEVJPMF-UHFFFAOYSA-N 443.530 -0.565 5 20 IBBD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)N1CCN(C)CC1 1789799245 FDCDZQIOYJKJPP-AESZEHBQSA-N 449.512 -0.453 5 20 IBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21)c1ccc(O)c([N+](=O)[O-])c1 1790023765 PMMHYZXUTMOBJY-XEZPLFJOSA-N 431.409 -0.420 5 20 IBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(Br)c1[N+](=O)[O-])C2)C(O)O 1792799594 OXORHWYYFDTHTE-BZBKMWRSSA-N 444.238 -0.129 5 20 IBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2)c1nc[nH]c1[N+](=O)[O-] 1796403303 PIKCAYJRYWYVIJ-DABQJJPHSA-N 426.393 -0.122 5 20 IBBD O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1)c1ccco1 1832660073 RBSPXSCFCKPVAJ-GOSISDBHSA-N 433.377 -0.136 5 20 IBBD O=C(c1ccc[n+]([O-])c1)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1833273854 RKSNUGJEIOJFET-SFHVURJKSA-N 432.393 -0.665 5 20 IBBD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1)n1cnnn1 1840478633 WPHTYXINVWRAID-PXAZEXFGSA-N 434.413 -0.759 5 20 IBBD O=C(CN1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1)N[C@@H]1CCS(=O)(=O)C1 467583083 GNFXPISLTXLWGK-CYBMUJFWSA-N 428.442 -0.205 5 20 IBBD Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 540274916 BPEOKCUGFFGIKK-UHFFFAOYSA-N 437.434 -0.365 5 20 IBBD COCC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 551798401 VECHKPDSWHIPFZ-UHFFFAOYSA-N 433.465 -0.003 5 20 IBBD CCc1[nH]nc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] 561646113 XJMKAMZLZJKDSW-TXEJJXNPSA-N 430.487 -0.008 5 20 IBBD CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 589135634 HCWYJXGFHOIZEC-UHFFFAOYSA-N 440.478 -0.028 5 20 IBBD C[C@@H](NC(=O)COC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C 738676610 DNKBNKVAQXOHAK-LLVKDONJSA-N 430.439 -0.649 5 20 IBBD CN(C)c1c(COC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c(=O)n(C)c(=O)n1C 814062894 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534702277 UJDLAGVZRUTCKH-UHFFFAOYSA-N 430.421 -0.053 5 20 IBBD O=C(NC[C@]1(O)CCSC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611653954 WMBABGRBNOZIIF-PVXIVEMSSA-N 431.492 -0.297 5 20 IBBD Nc1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] 735931214 WYLFWZWTWNHSJM-ZDUSSCGKSA-N 425.467 -0.762 5 20 IBBD COC(=O)NCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 919511180 JTBGNAHHAPLFPM-UHFFFAOYSA-N 444.422 -0.673 5 20 IBBD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4CCN(C)CC4)C3)C2)ncc1[N+](=O)[O-] 1778259097 NLVOKUFABABVRJ-OAQYLSRUSA-N 446.508 -0.011 5 20 IBBD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1779052780 NRNBCQWSJQDZKJ-AUUYWEPGSA-N 444.452 -0.088 5 20 IBBD CC(C)NCCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782783210 FSDOIUHEIYYHRZ-FQEVSTJZSA-N 435.481 -0.026 5 20 IBBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1cc2ncccn2n1 1797380833 WNXUWYZNJSQYBD-QHBPRCKVSA-N 426.393 -0.122 5 20 IBBD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NNC(=O)C2)C3)cc1[N+](=O)[O-] 1799330233 ONVWLZWGTWYPMA-HBCWATKFSA-N 429.433 -0.089 5 20 IBBD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)nn1C 1838274824 KHOTYRBVKXWPJY-IBGZPJMESA-N 447.452 -0.002 5 20 IBBD O=C(COc1cccnn1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840410514 GUSIBHGKKZAXMF-GOSISDBHSA-N 447.408 -0.743 5 20 IBBD CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841998860 ZEPORLDVPHZCJH-GFCCVEGCSA-N 428.471 -0.678 5 20 IBBD O=C(CNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)NCCN1CCOCC1 444261005 CIMWNQPYNRTQTM-UHFFFAOYSA-N 433.421 -0.574 5 20 IBBD COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)cc1[N+](=O)[O-] 462041032 PSSWHDUZQRQCSJ-INIZCTEOSA-N 428.467 -0.233 5 20 IBBD CN(CC(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 465392924 WKKUHVXZSQHBTM-GTNSWQLSSA-N 439.450 -0.290 5 20 IBBD CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 469363896 XTYQDSPMMOUXOO-GFCCVEGCSA-N 428.423 -0.603 5 20 IBBD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])O1 537080659 OXBQTDURNJIRJQ-GXTWGEPZSA-N 443.482 -0.192 5 20 IBBD O=C(NCCSCCCO)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611654951 KATRSYVIBZQHIA-OCCSQVGLSA-N 433.508 -0.050 5 20 IBBD Cc1cc(S(=O)(=O)NC(=O)CN2CCN(S(C)(=O)=O)CC2)cc([N+](=O)[O-])c1C 778601054 YAICAECLELCGPB-UHFFFAOYSA-N 434.496 -0.406 5 20 IBBD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2)c1ccc([N+](=O)[O-])c2c1OCO2 1780115646 FEDLCQSDSVPGCP-BFUOFWGJSA-N 437.405 -0.238 5 20 IBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1782786869 IFEMJHOKNSDFQO-GOSISDBHSA-N 433.377 -0.406 5 20 IBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1832793231 GXRMCDOZWMXACM-LPHOPBHVSA-N 437.453 -0.183 5 20 IBBD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncn(C)n2)CCO3)ncc1[N+](=O)[O-] 1833879633 KHIKACMPHSXDJC-IBGZPJMESA-N 445.436 -0.189 5 20 IBBD C[S@@](=O)c1nncn1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 487251488 NCYGXGYPSBLONS-MUUNZHRXSA-N 442.479 -0.543 5 20 IBBD CS(=O)(=O)c1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc([N+](=O)[O-])c1 502717314 YODXUHNDNCYFMQ-LSDHHAIUSA-N 447.491 -0.774 5 20 IBBD Cn1c(=O)c2cc(C(=O)NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n(C)c2n(C)c1=O 541751587 UODZUNIMCPCCLN-UHFFFAOYSA-N 449.445 -0.312 5 20 IBBD O=C(CN1CC[C@H](CO)[C@H](O)C1)Nc1cc(N2CC[C@H](CO)[C@@H](O)C2)ccc1[N+](=O)[O-] 564154024 ZZYNYFOFBZFQCX-OHHBCXFOSA-N 438.481 -0.612 5 20 IBBD CS(=O)(=O)c1ccc(N2CCN(C(=O)CN3CC(=O)NC3=O)CC2)c([N+](=O)[O-])c1 609492210 IDVKVZMUAWRSOV-UHFFFAOYSA-N 425.423 -0.801 5 20 IBBD CNS(=O)(=O)[C@H]1CCCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 609602621 OOSYKBBTYFDZBX-AWEZNQCLSA-N 449.511 -0.404 5 20 IBBD COc1cc(S(=O)(=O)NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)ccc1[N+](=O)[O-] 761415809 DDDLUHGZESCOCK-UHFFFAOYSA-N 449.401 -0.332 5 20 IBBD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1778786480 RZFBFWWXVJNQLM-GUYCJALGSA-N 425.398 -0.569 5 20 IBBD CC[S@](=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1778817000 ZFBNDHBASHZPBO-ADKRDUOOSA-N 427.483 -0.220 5 20 IBBD O=C(c1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781047570 CSHXEDQOOPLXAP-ZSOFBXJNSA-N 444.448 -0.363 5 20 IBBD O=C(Cc1cnccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1784247611 PPPPPCOOPRYJKQ-JQFCIGGWSA-N 429.437 -0.196 5 20 IBBD Cn1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CCO3)cn1 1784576649 SYQMNSICHCAEQB-FQEVSTJZSA-N 444.448 -0.437 5 20 IBBD O=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc([N+](=O)[O-])cc4c2OCC4)C3)=NN1 1797684379 AVNMNWNGWCYDOY-DPIQGUFMSA-N 443.416 -0.391 5 20 IBBD Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C3)no1 1797829124 FAMUBGQSJWWCOL-DPIQGUFMSA-N 446.420 -0.147 5 20 IBBD NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccc3ccc([N+](=O)[O-])cc31)CCO2 1831114211 CGDORLUUADBAPU-FQEVSTJZSA-N 431.449 -0.035 5 20 IBBD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1)n1ccnn1 1839708042 LKNOGEBUOZVZIH-SJKOYZFVSA-N 434.413 -0.759 5 20 IBBD CN1CCN(S(=O)(=O)N2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)CC2)CC1 30694876 GGEXNLHSFICTHV-UHFFFAOYSA-N 427.483 -0.390 5 20 IBBD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 471848942 GHOCJYQIODFNLR-SFHVURJKSA-N 438.462 -0.089 5 20 IBBD C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCS(=O)(=O)CC1 484889586 CVOAPFZGRIXDTC-VXGBXAGGSA-N 442.450 -0.446 5 20 IBBD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 511814490 PGWYDIHEASLMAR-UHFFFAOYSA-N 434.434 -0.124 5 20 IBBD CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 555036060 SMWSXOUGJVVFQB-LBPRGKRZSA-N 426.451 -0.095 5 20 IBBD CCOC(=O)c1cc(C(=O)NS(=O)(=O)N2CCN(C(C)=O)CC2)cc([N+](=O)[O-])c1 813945117 BHLOBKNIDIXGIK-UHFFFAOYSA-N 428.423 -0.090 5 20 IBBD O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 916568290 HZTHGZYYLHQVMD-CYBMUJFWSA-N 425.467 -0.270 5 20 IBBD C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779383544 OEEINMYNQKKDTD-ZBEGNZNMSA-N 429.455 -0.558 5 20 IBBD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cnnn2)cc1[N+](=O)[O-] 1795859591 LETBFTNIVRZTJX-CCWDJLKJSA-N 429.437 -0.278 5 20 IBBD COc1ccc([N+](=O)[O-])c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C[C@H]2NC(=O)NC2=O)C3)n1 1797210968 FEENUWMVUSULQI-WRWGMCAJSA-N 446.420 -0.152 5 20 IBBD Cc1nn[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800282601 LKGQMMWBMGZJEX-DRXBFXEBSA-N 431.409 -0.914 5 20 IBBD COC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1829932077 SNISNFDWWAUJMN-SFHVURJKSA-N 425.442 -0.327 5 20 IBBD N=C(N)SCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1835511103 NTIRBKPCYLVPRZ-HNNXBMFYSA-N 427.443 -0.985 5 20 IBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1837798951 IYPOMARJGDPZHD-MHVYXZCWSA-N 437.453 -0.061 5 20 IBBD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1)n1cncn1 1838828238 VUCUKCHRCXHRMO-UGSOOPFHSA-N 433.425 -0.154 5 20 IBBD Cc1c(C(=O)N2CCN(CCC(=O)N(C)C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 473423797 ZRIXRHNQKQYAOE-UHFFFAOYSA-N 427.483 -0.213 5 20 IBBD COCCCN(C)CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611644728 NFSVQDTYAPMMDB-HOCLYGCPSA-N 444.510 -0.197 5 20 IBBD NC(=O)c1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787476757 SIDVEMMGAMIUSX-DRZSPHRISA-N 443.420 -0.281 5 20 IBBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787479608 RLOHRUCCTCTFJS-AVGNSLFASA-N 431.409 -0.832 5 20 IBBD C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccc([N+](=O)[O-])c2=O)O1 1800282101 IGNFOWAIRIXAOW-ARULTKQDSA-N 434.449 -0.086 5 20 IBBD CC(=O)N(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800282803 XLQKCGGTWMGWDN-LJGDNWOOSA-N 449.464 -0.787 5 20 IBBD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1)n1ccnc1 1830977231 OQJLMDPVMPFXTM-SCLBCKFNSA-N 433.425 -0.154 5 20 IBBD CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833436802 ZYZVWZMVDBQQML-UHFFFAOYSA-N 435.485 -0.501 5 20 IBBD Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1838531734 CFWUKQDUUQPJIS-LJQANCHMSA-N 446.420 -0.600 5 20 IBBD N=C(N)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)c1[N+](=O)[O-])CCO2 1839356955 OVCHMNXGAKRKHA-SFHVURJKSA-N 438.416 -0.713 5 20 IBBD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 490625524 FOIRLEYVTRHRPL-CQSZACIVSA-N 440.478 -0.215 5 20 IBBD O=C(NCCN1C(=O)CNC1=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 499947974 UXOOFMCKRRABIG-LBPRGKRZSA-N 439.450 -0.337 5 20 IBBD CN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)Cc1nncn1C 561934243 REHKAYVYGBWAQA-UHFFFAOYSA-N 437.482 -0.312 5 20 IBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 603630948 BJCRXJKVTANWJH-UHFFFAOYSA-N 426.451 -0.405 5 20 IBBD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 609126830 HLUZNPLIXYRODQ-HNNXBMFYSA-N 441.466 -0.884 5 20 IBBD CNS(=O)(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 749901720 WWCRGTGVRBXWJS-ZDUSSCGKSA-N 434.496 -0.256 5 20 IBBD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1)n1cnnn1 1784600970 AMGHICXCJKXMEL-KPZWWZAWSA-N 431.409 -0.008 5 20 IBBD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCS(C)(=O)=O)ncc1[N+](=O)[O-] 1801529981 OXIPCTSHHWLKLB-FVCICTRLSA-N 440.478 -0.064 5 20 IBBD Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CNC(=N)N)CCO3)C2)cc1[N+](=O)[O-] 1835575324 KJDYWXXOAQBFBS-HXUWFJFHSA-N 448.480 -0.615 5 20 IBBD N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1)c1ccccn1 1837794183 JMFJDQYOGPVIJP-BEFAXECRSA-N 445.436 -0.517 5 20 IBBD O=C(Cn1cncn1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839413815 WGXSIBUHNCYPKE-LJQANCHMSA-N 446.420 -0.338 5 20 IBBD O=C1CN(CC(=O)N2CC3(CCCN3C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C(=O)N1 1844757327 JWSIHZWFTKDLNH-UHFFFAOYSA-N 445.388 -0.308 5 20 IBBD Cc1nc2n(n1)CCN(CC(=O)N1CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC1)C2 426436041 OMHPXUSALTUGQU-UHFFFAOYSA-N 449.493 -0.157 5 20 IBBD O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 439287120 UTLKXLDNIMCLAJ-GFCCVEGCSA-N 430.409 -0.397 5 20 IBBD CNS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 439842076 NAZOXZCNDCPBIB-UHFFFAOYSA-N 435.484 -0.840 5 20 IBBD C[C@@H](O)CN1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 444390618 VUWOKARFWGXNFC-YCPHGPKFSA-N 442.494 -0.756 5 20 IBBD O=C(CN1CCSC[C@H]1CO)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 501541104 QXNUSKXSRRGIFA-OAHLLOKOSA-N 444.535 -0.163 5 20 IBBD COCCN1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 510986207 SDTODUKXFHMIFH-UHFFFAOYSA-N 429.455 -0.627 5 20 IBBD CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)O1 538249641 VSMRGPPGLDFNJP-UKRRQHHQSA-N 428.467 -0.033 5 20 IBBD C[C@H](CCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[S@@](C)=O 611655744 DZTUDRUPEICYCU-QCYXGZLYSA-N 433.508 -0.008 5 20 IBBD C=CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(OC)ccc1[N+](=O)[O-] 1796719944 MVVGNMWLYXMQEK-JRATXPSKSA-N 447.448 -0.108 5 20 IBBD Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])no1 1798010540 XYYWYSPXNPEFJX-QHBPRCKVSA-N 447.408 -0.752 5 20 IBBD O=C1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)CN1 1829955805 BWBOQHKDCFKAFP-DJJJIMSYSA-N 435.437 -0.481 5 20 IBBD O=C1COc2ccc(S(=O)(=O)N3CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])CC3)cc2N1 488122127 NMTRRQNAUXKZHW-UHFFFAOYSA-N 436.406 -0.205 5 20 IBBD O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 527063696 ARZJYWBNWPNUAG-KBPBESRZSA-N 427.435 -0.718 5 20 IBBD 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