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CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1[N+](=O)[O-] 1799402425 UFMCWDIGVHIJLX-VHQFLLTFSA-N 462.503 0.650 5 20 JCBD Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(O)c([N+](=O)[O-])c2)no1 1799479763 AAANBQMFACBZAD-VTEUUUEMSA-N 473.442 0.829 5 20 JCBD CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 1799683442 BVWSQOBTCIPSEL-XBCDXLOZSA-N 482.465 0.780 5 20 JCBD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1)n1ccccc1=O 1799731639 DDSHUVHBPXMTIE-BCEDRHLLSA-N 456.455 0.927 5 20 JCBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2)[C@H]1CCCS1(=O)=O 1800387220 DWQPOQWQVTUIJW-LORHWOILSA-N 451.501 0.304 5 20 JCBD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O)c1ccnc2c1OCO2 1801357145 QKHYQXTYAZUAEH-BTTYYORXSA-N 455.427 0.832 5 20 JCBD O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cccnc1 1804095437 PKEYFLGNDYVZHO-KSFYIVLOSA-N 498.471 0.929 5 20 JCBD COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)[C@@H]2c2cccnc2)n1 1808880072 HPHJORKUACMHFA-OYHNWAKOSA-N 494.464 0.638 5 20 JCBD N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1c1cccnc1 1811679558 ZPENKZOYOJYQML-FOIQADDNSA-N 467.486 0.855 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@H]1CCN(C(=O)CN2CCOC2=O)[C@@H]1c1cccnc1 1812408308 CDLVDWFZRKRSCW-OXQOHEQNSA-N 484.469 0.310 5 20 JCBD CC[C@H](NC(N)=O)C(=O)N1CC[C@H](CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@H]1c1cccnc1 1812411987 TXYRNSRURDFRFR-JTDSTZFVSA-N 485.501 0.304 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)[nH]n1 1821735196 NEHOXVJNGYQLJV-OAHLLOKOSA-N 499.444 0.977 5 20 JCBD C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)[nH]n1)n1cnnn1 1822860476 WICQQFCFOILVBW-GXTWGEPZSA-N 470.450 0.420 5 20 JCBD Cn1cnc(C(=O)N[C@H]2CCc3nc(NC(=O)Cn4cccc([N+](=O)[O-])c4=O)sc3C2)c1 1824719184 PYEGXRKEMYUELJ-NSHDSACASA-N 457.472 0.873 5 20 JCBD O=C(COc1ccc(O)cc1)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1830337401 LZGKBZDPXYIPTN-OAQYLSRUSA-N 475.458 0.032 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccoc3C1)CCO2 1830926419 GUKOXIUOJATFJL-JTSKRJEESA-N 473.486 0.646 5 20 JCBD CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1832040235 GDBWYGPSGYTPOI-OAQYLSRUSA-N 496.521 0.691 5 20 JCBD Cn1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cccc([N+](=O)[O-])c4)CCO3)C2)cn1 1832176877 AAQBGVYRCLTDOW-HSZRJFAPSA-N 471.514 0.960 5 20 JCBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1833720388 HDHBTPBMXWJHGB-OAQYLSRUSA-N 458.475 0.768 5 20 JCBD CCOC(=O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833787022 RWUIKJXJIZUSEM-UHFFFAOYSA-N 478.550 0.952 5 20 JCBD CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)C3)C2)n[nH]1 1833824834 VRGFGUAELIJVIY-OAQYLSRUSA-N 473.442 0.610 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccs1)CCO2 1833940735 YAMDUKFONHHDJL-FQEVSTJZSA-N 462.484 0.588 5 20 JCBD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)C2)nn1C 1834121896 NBXBZZXCJYOZQZ-OAQYLSRUSA-N 459.459 0.726 5 20 JCBD Cc1cc(C(=O)N2CCC(N3CCC(NC(=O)CNCP(=O)(O)O)CC3)CC2)ncc1[N+](=O)[O-] 1834665341 PYOGVOPTNGCPCP-UHFFFAOYSA-N 498.477 0.208 5 20 JCBD O=C1CCCN1CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)C2)C1 1835405636 FQSGRVSJTYFPIJ-QFIPXVFZSA-N 478.477 0.355 5 20 JCBD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1)N1CCN(C)CC1 1835869064 LKNOPZQMGHWHLP-MRXNPFEDSA-N 476.582 0.139 5 20 JCBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc5[nH]ncc5c4)CCO3)C2)n1 1836811864 WOXGOUIRHSCPDC-QFIPXVFZSA-N 497.468 0.654 5 20 JCBD O=C(c1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837971610 BMBMDVRNGDXPHK-JOCHJYFZSA-N 485.453 0.940 5 20 JCBD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)cc(Cl)n1 1838230863 NIBCLINCIXBQIA-LJQANCHMSA-N 480.865 0.759 5 20 JCBD O=C(COCCO)N1CCC(OC2CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CC2)CC1 1838539804 MVAICOYSYAYJKN-UHFFFAOYSA-N 479.486 0.945 5 20 JCBD CCOC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCO3)ccn1 1838827174 VKVUFOHMHISCOI-QFIPXVFZSA-N 487.469 0.878 5 20 JCBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCN(C)C2)CCO3)n1 1839065236 ZIJJXIZVNGCNMQ-OPAMFIHVSA-N 477.518 0.410 5 20 JCBD Cc1nnsc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCO2)C1 1839273631 VUTOJYXLDWPXNC-LJQANCHMSA-N 463.472 0.844 5 20 JCBD COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 1839277105 VSGJFGGWJCSVDD-FQEVSTJZSA-N 455.439 0.467 5 20 JCBD CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CCO2)C1 1839277650 WIRKMJOAKWQGGT-SZNDQCEHSA-N 481.481 0.512 5 20 JCBD O=C(Cn1ccncc1=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 1839278707 XZTQNYNWFJDDIO-OAQYLSRUSA-N 475.433 0.061 5 20 JCBD COC(=O)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)c([N+](=O)[O-])c1 1839462557 XCIHRALDIICUAT-QFIPXVFZSA-N 487.469 0.417 5 20 JCBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1839465746 LSCZOZPDLGCVLC-QHCPKHFHSA-N 486.481 0.691 5 20 JCBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1839466214 MGJTUCXTXPAFJM-NRFANRHFSA-N 459.459 0.726 5 20 JCBD CNCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)CCO2 1839482086 DNASPZFXSOKSIA-OAQYLSRUSA-N 460.491 0.541 5 20 JCBD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1)n1ccnn1 1839710662 NUQYDCCFICLEBX-VBKZILBWSA-N 462.438 0.657 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 1839717867 WSPUALMLOYXLPG-QHCPKHFHSA-N 496.480 0.403 5 20 JCBD O=C(/C=C/c1cnc[nH]1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1840343605 OUORGVZDZCPVCR-XAFBZQIESA-N 457.443 0.807 5 20 JCBD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C3)C2)ccc1[N+](=O)[O-] 1840757564 LZRJKPFWYCQZOK-RBUKOAKNSA-N 491.419 0.987 5 20 JCBD O=C1NCCCn2nc(C(=O)N3CC4(CCCN4C(=O)c4ccc([N+](=O)[O-])c5c4OCO5)C3)cc21 1844758089 VJDUGZSDNJKVMA-UHFFFAOYSA-N 482.453 0.784 5 20 JCBD O=C(c1ccc([N+](=O)[O-])c2c1OCO2)N1CC2(CCCN2C(=O)CNC(=O)C(F)(F)F)C1 1846399795 KXCXNQWHZMYZMS-UHFFFAOYSA-N 458.349 0.819 5 20 JCBD COc1cc(CCNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c([N+](=O)[O-])cc1OC 495483877 XYCVBVRAXNRFDQ-ZIAGYGMSSA-N 455.489 0.306 5 20 JCBD O=C1CN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1 507093847 OFKIIMJQNKPLGC-IBGZPJMESA-N 471.495 0.924 5 20 JCBD O=C1CN(S(=O)(=O)c2cccc(NC(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)c2)CCN1 514559458 MMMHTTADTPSYSG-UHFFFAOYSA-N 475.439 0.262 5 20 JCBD CN(C)C(=O)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 603484913 VKTWSHIJVNPTOS-GOSISDBHSA-N 467.548 0.370 5 20 JCBD COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)cn1 604158924 DWKDMNXWYXRUOS-UHFFFAOYSA-N 479.471 0.479 5 20 JCBD CC(C)CCC(=O)NCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 728735209 QABPSYDBZSQDTN-UHFFFAOYSA-N 484.531 0.523 5 20 JCBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 743619483 QEGRLVSMTSWCAP-UHFFFAOYSA-N 452.449 0.760 5 20 JCBD O=C(CCn1cc([N+](=O)[O-])cn1)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 746595811 GHCNFZPGFHTRCA-UHFFFAOYSA-N 491.526 0.746 5 20 JCBD Cc1cc(C)n(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 753926234 VGVUXIBJYVDVJP-UHFFFAOYSA-N 465.488 0.484 5 20 JCBD Cn1c(N2CCOCC2)nn(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1=S 915201862 HKKJUECDLRCDBO-UHFFFAOYSA-N 483.576 0.660 5 20 JCBD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccnnc4O)C3)C2)cc([N+](=O)[O-])c1OC 1779920680 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494.306 0.637 5 20 JCBD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4[nH]nnc4C)C[C@@H]32)cc([N+](=O)[O-])c1OC 1790301189 IYKYPYZDALUNCZ-JDFRZJQESA-N 474.474 0.946 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 1790652142 CDQZKGCGUUVTJD-XEZPLFJOSA-N 475.414 0.551 5 20 JCBD CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] 1792943594 UCIWODAXNDUCOU-HRJSJKBJSA-N 467.910 0.827 5 20 JCBD O=C(C[C@@H]1COc2ccccc2O1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793266540 BLBGMANWGVHGPH-KYZVSKTDSA-N 457.443 0.751 5 20 JCBD COc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN(C)C(C)=O)ccc1[N+](=O)[O-] 1793748127 OSAUTJUFGGGLKN-FAQVEIGNSA-N 462.503 0.604 5 20 JCBD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CNC2=O)cc(Cl)cc1[N+](=O)[O-] 1793763993 ZAZDKBXWSCMHNM-KSPBDQMDSA-N 479.877 0.312 5 20 JCBD COc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc(OC)ccc2[N+](=O)[O-])C3)n1 1793988581 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O=C1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccc5ccc([N+](=O)[O-])cc54)C[C@@H]32)N1 1786674715 PNTFOHFKAATPFH-BOLBYERCSA-N 469.498 0.808 5 20 JCBD CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc([N+](=O)[O-])ccc3F)C[C@@H]21 1787405385 AQPDEWTTYUFNJA-HZCDGDGTSA-N 465.482 0.703 5 20 JCBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C[C@@H]21)c1cnc(O)nc1O 1787430816 ZPXXSWMDQQVAMI-XEGUGMAKSA-N 461.406 0.842 5 20 JCBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787477740 BTTSLJDXELQOJS-CIUDSAMLSA-N 458.357 0.362 5 20 JCBD CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(OC)ccc3[N+](=O)[O-])[C@H]2C1 1787751397 ZELSKSZACWVORS-MPTYRVRUSA-N 463.491 0.506 5 20 JCBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21)c1ccn(C(F)F)n1 1788937977 IJYJSCGYEDMBDJ-WHOFXGATSA-N 453.406 0.676 5 20 JCBD COc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4[nH]nnc4C)C[C@@H]32)ccc1[N+](=O)[O-] 1789848190 JVRUHZJKQWMSKB-MPGHIAIKSA-N 458.475 0.866 5 20 JCBD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cc(F)ccc3[N+](=O)[O-])[C@H]2C1)n1cnnn1 1792232158 DZFZSKWYBKLMOE-IHHFWDAISA-N 461.454 0.504 5 20 JCBD O=C(CNC(=O)c1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 1793958524 CRBLWTTXMKNJOR-YVWYUNDQSA-N 471.445 0.762 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncsc1Br)C2 1794003600 JSYAINSCHXWBJY-DDFAGTSDSA-N 485.320 0.914 5 20 JCBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4n(n2)CCCO4)C3)n1 1796719654 JKNIAUOZWJTPHB-IVWMJMPLSA-N 472.458 0.494 5 20 JCBD CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 1797759750 HFPSTJUNXSCXQD-HBCWATKFSA-N 467.523 0.350 5 20 JCBD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2)n1ccccc1=O 1797935230 DQZGUQAERNQAND-NTNQKNOYSA-N 456.455 0.927 5 20 JCBD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)nc3cccnn23)ccc1[N+](=O)[O-] 1798500587 OSPVOZJQVVHSKQ-USGNIVHTSA-N 494.464 0.523 5 20 JCBD CN(C)C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(N(C)C)ccc1[N+](=O)[O-] 1798536649 CQXCJQRQYXQADB-HBCWATKFSA-N 462.507 0.135 5 20 JCBD C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc([N+](=O)[O-])o1)C2 1801003016 RGTSGPYSTHRPKC-IYLZJYCJSA-N 451.432 0.406 5 20 JCBD O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1802380193 DNEZHQBRQBDGGU-WWPVKYPJSA-N 483.525 0.889 5 20 JCBD O=C(O)c1cc(C(=O)NC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2c2cccnc2)ncn1 1804967577 XMJATSCHQFQQIX-LRDDRELGSA-N 466.414 0.835 5 20 JCBD O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 1807018998 QQAMCOQJCQOETI-LAUBAEHRSA-N 491.441 0.963 5 20 JCBD COc1cc(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] 1807054412 DMFNMDNBPJJIHG-LLGFUMIMSA-N 484.513 0.911 5 20 JCBD C[C@H](C(=O)N1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccnc1)[C@H]1SC(=N)NC1=O 1810636766 VWNLHLZAPCGQMG-PBXWNFIWSA-N 486.514 0.835 5 20 JCBD N=C(N)NCC(=O)N1CC[C@@H](CNC(=O)Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1cccnc1 1814178989 RRLSZPLYNMEMDB-XOBRGWDASA-N 457.466 0.860 5 20 JCBD COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](CNC(=O)CNC(N)=O)[C@H]2c2cccnc2)n1 1814226215 GMZRQAWOUKUSSE-SCLBCKFNSA-N 457.447 0.381 5 20 JCBD COc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)[C@H](O)N4CCOCC4)sc3C2)ccc1[N+](=O)[O-] 1819893557 QFEWDZUKHHVPRA-RBZFPXEDSA-N 491.526 0.936 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)no1)CC2 1824720973 HCLZKOXTAXBWIO-SECBINFHSA-N 460.428 0.833 5 20 JCBD CN(C)CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1828856951 MPTCFLOAGWEPMD-HSZRJFAPSA-N 499.528 0.945 5 20 JCBD O=C(O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)CCO2 1829626349 CHYYNWKYKCTURQ-FQEVSTJZSA-N 467.500 0.412 5 20 JCBD COc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)ccc1[N+](=O)[O-] 1830586215 NMTPIFLGOLKQTI-CNXQINBVSA-N 463.487 0.373 5 20 JCBD O=C(Cn1ccc2ccc([N+](=O)[O-])cc21)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1831114639 RZKXMHJGIRPYCB-GWJPWWOOSA-N 472.498 0.777 5 20 JCBD Cc1cn(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)c(=O)nc1O 1832772606 ZCVUWDOLUJHLCQ-GOSISDBHSA-N 487.517 0.682 5 20 JCBD Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c(C)s1 1833147330 FAWXRWNCFQJNMA-LJQANCHMSA-N 464.504 0.704 5 20 JCBD COc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)ccc1[N+](=O)[O-] 1833276012 CBVVFLYFQOZFLM-HSZRJFAPSA-N 486.481 0.550 5 20 JCBD COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CN(C)C)CCO3)c([N+](=O)[O-])c1 1834944475 KZSHYSUMNHENIS-OAQYLSRUSA-N 450.492 0.164 5 20 JCBD CNCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)C2)C1 1835668132 UCAKNKMNYFWIMK-NRFANRHFSA-N 450.492 0.673 5 20 JCBD Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)cc(Cl)cc1[N+](=O)[O-] 1836149409 WSPVHIMOQWQRLE-IBGZPJMESA-N 479.881 0.313 5 20 JCBD COc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)CS(C)(=O)=O)CC3)CC2)c([N+](=O)[O-])c1 1836421220 ZBOHXPWUKLDUOA-UHFFFAOYSA-N 496.586 0.762 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(OC2CCN(C(=O)c3ccc(O)nn3)CC2)CC1 1837135138 IFDMFINKNYMEAX-UHFFFAOYSA-N 459.463 0.599 5 20 JCBD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)o1 1837452538 CJJMWBSLDKMQJB-HXUWFJFHSA-N 461.431 0.858 5 20 JCBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)c1[nH]cnc1-c1cccnc1)CCO2 1838495993 OZFYKGXOQHIBHJ-NRFANRHFSA-N 482.457 0.487 5 20 JCBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)c1 1838542202 CIDZGZJNXCNCRY-DDRXVLGJSA-N 462.503 0.502 5 20 JCBD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C)nn4C)C3)C2)c([N+](=O)[O-])cc1O 1838602065 KVKAJHJGMWUROZ-QFIPXVFZSA-N 489.485 0.735 5 20 JCBD CO/C=C(\C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CCO2 1838628207 ZXDGWQCUHCDHDM-ZGQNHIEXSA-N 463.443 0.944 5 20 JCBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838641895 WDHMNZMDCIKXSV-OAQYLSRUSA-N 473.442 0.076 5 20 JCBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1839239029 IEIJAASFALAVLS-YAQIIAKESA-N 456.459 0.356 5 20 JCBD O=C(Cc1cncnc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CCO2 1839352879 NNYGGTZCUCSGQG-OAQYLSRUSA-N 459.434 0.837 5 20 JCBD O=C(O)CSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)c1[N+](=O)[O-])CCO2 1839357625 AWCAZPQLDAFDOP-IBGZPJMESA-N 471.463 0.622 5 20 JCBD Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4nccn4)C3)C2)cc(Cl)cc1[N+](=O)[O-] 1839432326 JZZNEYWLPMACNU-FQEVSTJZSA-N 478.893 0.918 5 20 JCBD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(C)=O)C3)C2)cc([N+](=O)[O-])c1OC 1839471863 OMZQSDVQQSROLF-QFIPXVFZSA-N 494.501 0.208 5 20 JCBD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)cc1O 1839473379 UZTWIJKRNVFWJM-NRFANRHFSA-N 488.457 0.366 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nc3)C2)C1 1839718052 XVQCRHQSXPRYLG-NRFANRHFSA-N 491.888 0.575 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(F)CCCC=C3F)C2)C1 1839719484 ZPKVKNBEUQGKCE-YADHBBJMSA-N 496.467 0.959 5 20 JCBD Cc1cnn(CC(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc([N+](=O)[O-])cc4F)CCO3)C2)c1 1839788743 OXEXIGQIEFZJQU-QFIPXVFZSA-N 475.477 0.938 5 20 JCBD CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)C1 1839882629 PLSSENIXXNPHJI-WLMDGNKMSA-N 450.448 0.184 5 20 JCBD O=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5cc([N+](=O)[O-])ccc5[nH]4)C3)C2)CCN1 1840234295 WCRLQRNSGXIROJ-RCDICMHDSA-N 486.485 0.067 5 20 JCBD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)cc1 1840725167 IGYXBZBCBWCCMS-JOCHJYFZSA-N 486.485 0.520 5 20 JCBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1840887412 NMBZPSTZOCGCLS-OAQYLSRUSA-N 459.434 0.837 5 20 JCBD Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)cc1 1840904459 IIDZTXSFGGTYRP-JOCHJYFZSA-N 486.485 0.126 5 20 JCBD CN1CCCN(c2cc(C(=O)N3CC4(CCCN4C(=O)C(O)O)C3)c([N+](=O)[O-])cc2F)CC1 1841235903 IYMXXILOHQULFM-UHFFFAOYSA-N 465.482 0.004 5 20 JCBD CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1845222310 YWZDPBCJXIYFLT-LBPRGKRZSA-N 452.468 0.411 5 20 JCBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825169 ZHOCVSDZOMYESW-UHFFFAOYSA-N 457.399 0.888 5 20 JCBD COC(=O)c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCN2C(=O)C=CC2=O)c([N+](=O)[O-])c1 1847950106 RLCMCQDKSPSBQQ-HOTGVXAUSA-N 470.438 0.512 5 20 JCBD C[C@@H](NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCS(=O)(=O)C1 488666446 IECVEQKFQVYTNI-NXEZZACHSA-N 484.350 0.575 5 20 JCBD COc1ccc(CC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-] 514464947 DNAJKQPSUVBEFD-GASCZTMLSA-N 456.521 0.644 5 20 JCBD 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JCBD O=C(Cn1ccc2sccc2c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1794042940 JTZXFOOVLFHQSB-VTEUUUEMSA-N 486.510 0.458 5 20 JCBD O=C(Cc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796185673 FKFXWURPSZVXCC-QDMKHBRRSA-N 469.433 0.959 5 20 JCBD NC[C@H](N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cc(Br)ccc1[N+](=O)[O-])C2 1796778689 LGDFQMYJJMDIDK-XGUBFFRZSA-N 454.325 0.824 5 20 JCBD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCCCN2C)C3)c([N+](=O)[O-])cc1O 1798594066 NTAYEGCCKOCVOD-IDLUEMFASA-N 462.503 0.997 5 20 JCBD NC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1Br 1799516973 FHFRKDDMVAFIGH-KEODLESXSA-N 470.280 0.229 5 20 JCBD COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(Br)c1[N+](=O)[O-] 1799725172 ODZIIZPKNPURDW-QHBPRCKVSA-N 485.291 0.917 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 1800284052 PTZGQSHLSOBMLR-DBWKPXFBSA-N 489.416 0.707 5 20 JCBD C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc([N+](=O)[O-])cc1F 1800400045 BDNMONHRVCDJDA-FIIQBIKZSA-N 471.507 0.547 5 20 JCBD Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801006934 NUKVQBNBDGCVTM-ZMGZOTOVSA-N 467.450 0.861 5 20 JCBD COc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSCC(=O)O)ccc1[N+](=O)[O-] 1801020597 AFNZRLOKSJXURH-VTEUUUEMSA-N 467.500 0.553 5 20 JCBD O=C(CCc1cccc(O)c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1801127398 ORPSSPJQIRWODF-FAQVEIGNSA-N 470.482 0.685 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801358889 RBOOYVQDKQRIOJ-QDMKHBRRSA-N 486.441 0.165 5 20 JCBD Cc1cc(C(=O)NCC(=O)N2CC[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2c2cccnc2)no1 1804417347 HEAAPWGAWCRPLD-KKSFZXQISA-N 496.484 0.619 5 20 JCBD CC(=O)N/C(C)=C/C(=O)N1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccnc1 1804421853 VAMOUBKWRCLORO-ZYFNDYIOSA-N 455.475 0.932 5 20 JCBD O=C(Cc1cnc[nH]1)NC[C@@H]1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@@H]1c1cccnc1 1808254701 FYOACMJLEVGKCN-HRAATJIYSA-N 465.470 0.823 5 20 JCBD Cc1noc(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CC3)n1 1815567266 LPXXEFAPBXDZPR-NSHDSACASA-N 473.471 0.759 5 20 JCBD CN1CCN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)Cn3cc([N+](=O)[O-])cn3)n[nH]2)CC1 1815820255 VIMAQKYRTAZRKH-KRWDZBQOSA-N 459.511 0.454 5 20 JCBD C[C@H](CC(N)=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)CC1 1824594535 LDYTYRDJWUSXEO-NVXWUHKLSA-N 461.519 0.888 5 20 JCBD CC(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cccc([N+](=O)[O-])c3=O)sc2C1 1824717850 ASWFSTQNRFMWQU-PWSUYJOCSA-N 462.488 0.350 5 20 JCBD Cc1nn[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccc4ccc([N+](=O)[O-])cc43)CCO2)C1 1831114533 MZKRVADRJYPAIR-QFIPXVFZSA-N 483.485 0.746 5 20 JCBD O=C(COc1ccccc1F)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832800130 JJGRPMDTTCWIPF-OAQYLSRUSA-N 477.449 0.466 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1832800626 VTHJVJCJAOAOSN-OAQYLSRUSA-N 487.448 0.348 5 20 JCBD N=C(N)SCCC(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833785188 LZRPVFOPWXSUSD-UHFFFAOYSA-N 466.568 0.380 5 20 JCBD CN(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)C1 1834945300 ZEGGEBNKWJGNMP-IBGZPJMESA-N 485.335 0.989 5 20 JCBD O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc([N+](=O)[O-])cc4F)C3)C2)N1 1835312459 ZGNVKQGYIPRYBQ-UTKZUKDTSA-N 464.450 0.011 5 20 JCBD O=C(NC1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1)c1ccc2ncnn2c1 1835631579 JUNAVRIYFXGJNA-UHFFFAOYSA-N 467.490 0.860 5 20 JCBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)CN)CC3)CC2)c1 1836113287 MIRGIQKRXALXFD-IBGZPJMESA-N 461.567 0.132 5 20 JCBD COc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)CNC(C)=O)CC3)CC2)c([N+](=O)[O-])c1 1836421587 NDIYZBCLIBCVDE-UHFFFAOYSA-N 475.546 0.854 5 20 JCBD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C)c([N+](=O)[O-])c3)C2)C1 1837733664 DLXGHAAJICNEGB-WMZHIEFXSA-N 492.529 0.053 5 20 JCBD O=C(c1cc(Cl)ncn1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1838259368 ZNAZSXXSSHVAGT-SFHVURJKSA-N 450.839 0.750 5 20 JCBD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnc4C)C3)C2)c([N+](=O)[O-])cc1O 1838601424 MDQPRRRULUZJNZ-QFIPXVFZSA-N 489.485 0.584 5 20 JCBD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(C)C)C3)C2)c([N+](=O)[O-])cc1O 1838601558 PFPZFRHXSQYPIV-QFIPXVFZSA-N 480.518 0.767 5 20 JCBD C/C(=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CCO2)C(=O)O 1838628721 SEBHNNNGHIDAQR-YDTSGJJXSA-N 477.426 0.424 5 20 JCBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1838826761 YQJKXNZDRHHNLC-NRFANRHFSA-N 458.475 0.909 5 20 JCBD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)c([N+](=O)[O-])c1 1839234202 YQOKBEVSKSTHEF-NRFANRHFSA-N 497.526 0.420 5 20 JCBD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CCO2)C1)n1ccnn1 1839354004 CTGWZVOFKBCNSS-JLTOFOAXSA-N 462.438 0.657 5 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COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1843382458 COYTVZQNLZLHGX-GFCCVEGCSA-N 452.468 0.675 5 20 JCBD CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C3)CC1 1843975023 HHKAVLHTWJPFBR-BQYQJAHWSA-N 455.515 0.976 5 20 JCBD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cccc([N+](=O)[O-])c1 1847210042 JKKHDCMFNMGXGV-JVPBZIDWSA-N 452.471 0.948 5 20 JCBD CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)CCOC1 1848164122 GEGGTIDSSJNHBU-QYWGDWMGSA-N 478.506 0.677 5 20 JCBD O=C(OCC(=O)N1CCNC1=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 11646334 NRPNROPXUITHSV-UHFFFAOYSA-N 474.879 0.744 5 20 JCBD C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC1)CS2 25287751 WUJMOHQYGDGBJA-YJBOKZPZSA-N 454.530 0.882 5 20 JCBD O=C(NCC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)NCc1ccc([N+](=O)[O-])cc1 498330434 QLJPFCCVKWVXCH-UHFFFAOYSA-N 460.535 0.941 5 20 JCBD COCCCNC(=O)[C@H](C)N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 505981743 MPZWREPMZLWKBE-HNNXBMFYSA-N 463.491 0.006 5 20 JCBD COc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC(C)(C)N3CCOCC3)CC2)cc1[N+](=O)[O-] 510396109 OMECKHDHTNEDJM-UHFFFAOYSA-N 499.590 0.137 5 20 JCBD CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 603455024 WJTLJSOVIZRCBJ-UHFFFAOYSA-N 482.540 0.992 5 20 JCBD CCOC(=O)CCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 604458977 JENVBJDNMZZGQB-UHFFFAOYSA-N 498.558 0.902 5 20 JCBD Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)ccc1[N+](=O)[O-] 608812985 UVZCFFBOUPHUFL-MJGOQNOKSA-N 464.544 0.839 5 20 JCBD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 912663456 FOIXGCLHPLIXNK-AWEZNQCLSA-N 454.505 0.197 5 20 JCBD O=C(N[C@@H](CO)C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 917503131 YIWDWTANZMVVRA-IBGZPJMESA-N 456.455 0.578 5 20 JCBD O=C(CNc1ccccc1[N+](=O)[O-])OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 920603269 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O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)c1cncc3cnccc13)CCO2 1838463484 JDNRFCBOCYDCLO-NRFANRHFSA-N 467.442 0.645 5 20 JCBD Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc([N+](=O)[O-])cc5c4OCC5)CCO3)C2)cccc1=O 1838525399 YESSWENZRXYMQT-DEOSSOPVSA-N 498.492 0.612 5 20 JCBD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)C4(O)CCC4)C3)C2)c([N+](=O)[O-])cc1O 1838599271 BVZOMGTWWGBGGX-OYHNWAKOSA-N 493.513 0.930 5 20 JCBD C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc([N+](=O)[O-])cc4F)C3)C2)CCCN1 1839123392 NOVARZQNTREQFN-FGZHOGPDSA-N 464.494 0.875 5 20 JCBD COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4CCN(C)CC4)C3)C2)c([N+](=O)[O-])c1 1839232665 UFHAQVIHOCUEKO-DEOSSOPVSA-N 490.557 0.944 5 20 JCBD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)NC(C)=O)C3)C2)c([N+](=O)[O-])c1 1839233331 BJCYZGSDDYSDHR-IVZQSRNASA-N 478.502 0.127 5 20 JCBD O=C(c1nc[nH]n1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(Br)c1[N+](=O)[O-])CCO2 1839409566 HCJATEGXEBPVHQ-SFHVURJKSA-N 495.290 0.859 5 20 JCBD 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CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)ccc21 15928533 CSWHUMZRUYIANI-UHFFFAOYSA-N 487.494 0.765 5 20 JCBD CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 32531287 IYWXXWXIQWMAEH-MRXNPFEDSA-N 494.617 0.489 5 20 JCBD O=C1COc2cc(NC(=O)C(=O)N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)ccc2N1 503331682 MNWFWXZCKHQXEB-UHFFFAOYSA-N 459.440 0.910 5 20 JCBD C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 505387827 IIQQXNVFQJUGSD-HNNXBMFYSA-N 496.590 0.636 5 20 JCBD CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 591886451 GFENFANUYZHGIR-FMKPAKJESA-N 455.489 0.520 5 20 JCBD COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2ccccc2O1 604213558 FWQWPPYDRWGRIB-QGZVFWFLSA-N 455.427 0.606 5 20 JCBD CCCC[C@@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 604452927 LFPQTLYHMJZDKP-CQSZACIVSA-N 457.509 0.663 5 20 JCBD C[C@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)N1CCN(C(=O)c2ccco2)CC1 729946399 FGQFYRUWXGGTOC-AWEZNQCLSA-N 486.437 0.830 5 20 JCBD Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])CC1 801174548 QQBWDTSJKXKCGD-UHFFFAOYSA-N 466.472 0.818 5 20 JCBD Cn1c(=O)c2c(ncn2CCOC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)n(C)c1=O 904221433 QOGWDVMDCDFZCA-NSHDSACASA-N 474.405 0.077 5 20 JCBD O=C1NCCCn2nc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccc(O)c([N+](=O)[O-])c5)CCO4)C3)cc21 1778383498 NPCDOTLBRVVYHS-QFIPXVFZSA-N 484.469 0.388 5 20 JCBD COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])CCO2)C1 1779321400 DPOQNWQGSOJTRZ-UTKZUKDTSA-N 466.466 0.257 5 20 JCBD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c([N+](=O)[O-])cc1O 1780193834 DZMJOGDZSABXHV-HXUWFJFHSA-N 490.429 0.557 5 20 JCBD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780235910 JSRWBJQQPRDUQX-XCLFUZPHSA-N 483.499 0.448 5 20 JCBD 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Cn1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cc([N+](=O)[O-])cn4)[C@H]3C2)c1Cl 1785217838 JWMMDGYSLUTZQN-CQDKDKBSSA-N 451.871 0.472 5 20 JCBD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc([N+](=O)[O-])c(O)cc3C)[C@H]2C1 1790293934 WAAVBILTJAVHTG-DFHZNHDVSA-N 498.558 0.530 5 20 JCBD CS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)c1 1792697896 VEBOLXKAZSDKMO-AGGWBTHJSA-N 463.472 0.238 5 20 JCBD Cc1cc(CCCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@H](N)C(N)=O)C3)c([N+](=O)[O-])cc1F 1793209562 CVEMXMCARXYZBH-UTAOTPEMSA-N 493.536 0.547 5 20 JCBD O=C(Cc1noc2ccccc12)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1795765143 UMRWJKZARUZOKZ-GFENJXEQSA-N 454.443 0.765 5 20 JCBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2)c1cc(O)nc(O)n1 1796355689 RZHZMOUMNICFDP-KEODLESXSA-N 473.398 0.042 5 20 JCBD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)[C@H]1SC(=N)NC1=O 1796877219 JRSRLGNHMGPPIS-CQUYNDQOSA-N 476.515 0.197 5 20 JCBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)c1cnnc2ccccc12 1796889124 MPRLGKJJEOZXTB-USGNIVHTSA-N 478.465 0.603 5 20 JCBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)c1ccc(OCCCO)cc1 1798543601 WKJBGKRFUJVVOG-JLVBRIDZSA-N 459.459 0.596 5 20 JCBD CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(OC)cc1[N+](=O)[O-] 1799401768 DFDCABUXKLXBLI-HPNQWNLUSA-N 462.503 0.650 5 20 JCBD NC[C@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(I)c([N+](=O)[O-])c1 1800316941 YKQFAUZKLLQPJP-OPDFLTKYSA-N 487.298 0.737 5 20 JCBD O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1800909518 JBVGGIPLQLPPHV-DPIQGUFMSA-N 490.460 0.955 5 20 JCBD O=C(Cn1ccc2ccc([N+](=O)[O-])cc21)NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1803399339 ARUAIAKHGGOZPY-UZLBHIALSA-N 453.455 0.961 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCN(C(=O)c2ccc[n+]([O-])c2)[C@@H]1c1cccnc1 1804416400 GZYARYYYSMDCRY-OXQOHEQNSA-N 451.443 0.840 5 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O=C(c1ccc([N+](=O)[O-])c2c1OCO2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829922038 QYAZGURORUARIT-HTAPYJJXSA-N 477.470 0.963 5 20 JCBD Cn1ncnc1C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccc4ccc([N+](=O)[O-])cc43)CCO2)C1 1831114580 PCSRKNKIWZCXHZ-QFIPXVFZSA-N 483.485 0.448 5 20 JCBD O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831489680 GEXYMAHKUQFWSQ-IBGZPJMESA-N 478.546 0.820 5 20 JCBD Cn1ncnc1C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CCO2)C1 1832172983 FKCVIMBSCLJVGP-NRFANRHFSA-N 458.475 0.426 5 20 JCBD CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccc([N+](=O)[O-])c3C)C2)C1 1832293148 JJXKCVNGQAYJIW-QFIPXVFZSA-N 480.493 0.981 5 20 JCBD CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)cc1 1832802788 BQUPYGNUJPUHJM-QFIPXVFZSA-N 486.485 0.520 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)[C@@]3(F)CCCC=C3F)C2)C1 1832803533 MCRCOORQQNQGSB-WOJBJXKFSA-N 469.445 0.993 5 20 JCBD Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])cc4F)C3)C2)cc1O 1833409795 LRMSBQMAJPRWRC-HXUWFJFHSA-N 463.422 0.557 5 20 JCBD Cn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 1834239257 JPPHYOLOTQDJHR-NRFANRHFSA-N 461.450 0.780 5 20 JCBD O=C(NC1CCN(C2CCN(C(=O)CCc3cnccn3)CC2)CC1)c1nc[nH]c1[N+](=O)[O-] 1835100984 SAUKHVXTPFBJPK-UHFFFAOYSA-N 456.507 0.926 5 20 JCBD Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)n4)CC3)CC2)ncc1[N+](=O)[O-] 1835188330 JAMYLVOUYJVPHE-UHFFFAOYSA-N 485.501 0.998 5 20 JCBD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4ccc([N+](=O)[O-])o4)C3)C2)o1 1836018791 BTSCKMLXMDWHER-ZFDYTMOGSA-N 461.431 0.592 5 20 JCBD O=C(c1nnc(-c2ccccc2)o1)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1837537381 RZWPPNJZJYGFFE-NRFANRHFSA-N 483.441 0.752 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(Cl)s1)CCO2 1838155390 JPODDHZYUCLRLB-QGZVFWFLSA-N 470.895 0.671 5 20 JCBD CC(C)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)CCO2 1838525241 NWIBMAMXXFLUGR-HSZRJFAPSA-N 476.530 0.988 5 20 JCBD Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])c4c2OCO4)CCO3)c1 1838627868 MJBCJXZCDDPFSS-QFIPXVFZSA-N 487.469 0.599 5 20 JCBD COc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccn4)C3)C2)ccc1[N+](=O)[O-] 1839136172 LBZMZJVEMGNJIR-JOCHJYFZSA-N 471.470 0.706 5 20 JCBD Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)cc1[N+](=O)[O-] 1839189627 WOURRHJNCXGDST-QHCPKHFHSA-N 492.598 0.951 5 20 JCBD COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)C(C)C)C3)C2)c([N+](=O)[O-])c1 1839232601 QHXGYHRAHOOQKE-IFMALSPDSA-N 465.503 0.619 5 20 JCBD C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)c1[N+](=O)[O-])CCO2)C(=O)O 1839358090 YFNQRLDQDZXKGX-DRHVUCGNSA-N 451.407 0.835 5 20 JCBD CCN(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])CCO2)C1 1839462505 WCUPEMCXLDTPRY-QMHKHESXSA-N 492.529 0.792 5 20 JCBD CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccc([N+](=O)[O-])c3C)C2)C1 1839655386 UTSNDOKDGUBOCA-NRFANRHFSA-N 497.549 0.596 5 20 JCBD COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 1840319188 VZVXWLAREUPNOV-NRFANRHFSA-N 464.475 0.340 5 20 JCBD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)ccc1[N+](=O)[O-] 1840758033 MNJOZPUJGADXJM-NFBKMPQASA-N 485.497 0.768 5 20 JCBD O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1840898322 DFXOMDPADLKRCK-BDNZGDGKSA-N 485.453 0.579 5 20 JCBD O=C(c1cccc(Br)c1[N+](=O)[O-])N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842875013 SOPZKDWKOGOKSO-UHFFFAOYSA-N 491.235 0.899 5 20 JCBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1845520082 PTKATLGPDKMWRP-UHFFFAOYSA-N 479.559 0.903 5 20 JCBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 17652532 LTMIVACHDLEOQP-AWEZNQCLSA-N 493.494 0.692 5 20 JCBD CC[C@H](C)[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C(=O)OC 23703007 BDSKMAAMHGTJBT-KBXCAEBGSA-N 456.521 0.605 5 20 JCBD O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 500375934 XROKDYYMPCFIJP-SFHVURJKSA-N 493.542 0.087 5 20 JCBD CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 508390322 FOQMCGCNVFRMIC-INIZCTEOSA-N 495.558 0.191 5 20 JCBD CN(C)C(=O)Cn1ccc(NC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)n1 513908834 FLAMWCFVFKAOAH-UHFFFAOYSA-N 479.519 0.637 5 20 JCBD CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c([N+](=O)[O-])c1 514902324 NUTKJDREDZLGIN-SNVBAGLBSA-N 452.411 0.937 5 20 JCBD C[C@]1(c2ccc(CNC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)NC(=O)NC1=O 523848194 SJNLKKKVBUSEIP-OAQYLSRUSA-N 451.395 0.562 5 20 JCBD CN1CCN(C(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)CC1 601156318 OMXYOGUKYQMXQD-UHFFFAOYSA-N 481.575 0.606 5 20 JCBD Cn1c(=O)c2c(ncn2CCOC(=O)c2ccc([N+](=O)[O-])cc2I)n(C)c1=O 726028948 CRQOTRFLNLLBOR-UHFFFAOYSA-N 499.221 0.804 5 20 JCBD CC(C)(C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)n1cc([N+](=O)[O-])cn1 726663122 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O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2)c1c[nH]c(=O)cn1 1780124804 CCBRNNUPUPZEGL-VGOFRKELSA-N 481.469 0.996 5 20 JCBD CNC(=S)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1780196949 CXUFXECWPZXCHP-FQEVSTJZSA-N 481.531 0.237 5 20 JCBD NC(=O)c1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780234852 VDUCVRADTDCYHQ-QFIPXVFZSA-N 483.437 0.575 5 20 JCBD CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780235643 BLKHFSJURWHGQP-BTYIYWSLSA-N 462.459 0.682 5 20 JCBD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1781555022 NANHOSBRDVMSQE-DENIHFKCSA-N 488.476 0.648 5 20 JCBD C[C@]1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)CCCN1 1781561420 DCSFDCYIUZWQLZ-ZPMCFJSWSA-N 461.519 0.413 5 20 JCBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1782102771 KJXFATQRSLTPIK-NRFANRHFSA-N 462.459 0.895 5 20 JCBD 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0.812 5 20 JCBD Cn1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc([N+](=O)[O-])c5c4OCO5)[C@H]3C2)c1=O 1789289475 QEWITFDEBJIFLR-OWQGQXMQSA-N 484.465 0.929 5 20 JCBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21)c1cc(O)cc([N+](=O)[O-])c1 1790217348 ULRVXUSIPDMVGI-JUKXBJQTSA-N 467.500 0.471 5 20 JCBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCN(C)CC3)C[C@@H]21 1790293188 TXMIHVAVUKAYRE-JLMWRMLUSA-N 489.573 0.840 5 20 JCBD O=C1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(Br)c2[N+](=O)[O-])C3)N1 1795390486 BTFWBVVJMZAKJE-YHYOWMERSA-N 481.303 0.839 5 20 JCBD CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])C1 1796403670 LNXVNQBKLFEEKJ-NPJQDHAYSA-N 463.491 0.891 5 20 JCBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)C2)c1n[nH]cc1[N+](=O)[O-] 1798008782 KNQBWMLJUTUFPD-PDOICOKGSA-N 482.497 0.570 5 20 JCBD CC[S@@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])cc2c1OCC2 1798517756 FYOWXFWHVHRAKX-CDGAMGEKSA-N 465.528 0.892 5 20 JCBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ncccn13)C2)c1ccc([N+](=O)[O-])c2c1OCO2 1798626080 KFCBVTHXAOHBOU-FVCICTRLSA-N 480.437 0.883 5 20 JCBD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)Cn2ccncc2=O)C3)c([N+](=O)[O-])cc1O 1799308474 KAXAVUOVTAXQNU-BTTYYORXSA-N 457.443 0.818 5 20 JCBD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)C3)cc1[N+](=O)[O-] 1799328890 GGDJGGRCASVDIW-YYUMVQMSSA-N 489.554 0.838 5 20 JCBD C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(F)ccc1[N+](=O)[O-] 1802092056 QDVPIHWJLVEZII-NFWAQSGPSA-N 471.507 0.547 5 20 JCBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1803259716 CINMKBJFTVFCSW-HNZJBXDGSA-N 452.431 0.989 5 20 JCBD CC(=O)N1CCN(CC(=O)N2CC[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2c2cccnc2)CC1 1804419960 YSMSMEREVNGOAC-CVDCTZTESA-N 498.544 0.056 5 20 JCBD NC(=O)c1ncccc1C(=O)NC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 1804806963 JIJACGPLQAOPHA-MGPUTAFESA-N 478.469 0.700 5 20 JCBD Cn1nc(C(=O)N2CCCC3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CC3)C2)cc1O 1807493776 RYJZSRRMKKWHJS-UHFFFAOYSA-N 458.475 0.741 5 20 JCBD N[C@@H](Cc1cscn1)C(=O)NC[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 1808203469 YPRFFKNABWVPOG-MOXGXCLJSA-N 484.542 0.919 5 20 JCBD N[C@@H](Cc1cccnc1)C(=O)NC[C@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@H]1c1cccnc1 1808360086 GKXLSBQHBRRDMZ-AOIWGVFYSA-N 464.486 0.998 5 20 JCBD COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]2c2cccnc2)n1 1808873245 OBPSUNFWZFUAFL-MDOVXXIYSA-N 485.501 0.306 5 20 JCBD NC(=O)[C@@H](N)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c3c1OCO3)CC2 1815064796 WBZDGGZYQVDIEN-KOLCDFICSA-N 490.498 0.599 5 20 JCBD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3nc[nH]c3[N+](=O)[O-])sc2C1 1817198619 AMYBRABPJKOGQX-ZYHUDNBSSA-N 480.459 0.495 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1CCc2nc(NC(=O)c3cc[n+]([O-])cc3)sc2C1 1821054072 GDUYZDHGOJZCDG-CYBMUJFWSA-N 470.467 0.772 5 20 JCBD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1824460080 YVDDBYUEFMNVHL-YJBOKZPZSA-N 484.579 0.739 5 20 JCBD CC[C@H](NC(N)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cccc([N+](=O)[O-])c3=O)sc2C1 1824721011 IRKJCDBYJQUUTB-MNOVXSKESA-N 477.503 0.272 5 20 JCBD CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])CC1 1828761994 LAPLXEJQBOTMGW-BBRMVZONSA-N 452.468 0.616 5 20 JCBD COC[C@@H](NC(C)=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1829161548 RUXXKQUQVQRDJU-CVEARBPZSA-N 450.496 0.702 5 20 JCBD N[C@@H](Cc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CCO2)C1 1829622129 NEZUZRLPMLMMAF-URXFXBBRSA-N 483.525 0.559 5 20 JCBD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCO2)C1 1830903295 JQXVXMNBKOBIPZ-RKUWUGLRSA-N 464.475 0.572 5 20 JCBD CCOC(=O)N[C@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)CC1 1831188014 OMYXFLNHRHYVEN-VQIMIIECSA-N 493.517 0.441 5 20 JCBD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1831189304 YAFJDJDDOCINAW-PEBXRYMYSA-N 494.501 0.294 5 20 JCBD Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)cc1[N+](=O)[O-] 1831738777 OCLIKQXZXKVOIH-QFIPXVFZSA-N 471.470 0.712 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)c3ccccc3)C2)C1 1832793838 VEVBUKUYHKHKDD-CTNGQTDRSA-N 461.450 0.959 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c(O)cccc34)C2)C1 1832800486 RGVKFHVCFFQRTM-HSZRJFAPSA-N 496.480 0.815 5 20 JCBD O=C(c1ncc[nH]1)N1CCO[C@@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1833720720 PKEUSMOUHSDVBV-HXUWFJFHSA-N 455.431 0.578 5 20 JCBD Cc1nn(C)c(C)c1CC(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833786950 PCPHNPMECPYLDR-UHFFFAOYSA-N 486.577 0.956 5 20 JCBD Nc1n[nH]c(CCC(=O)NC2CCN(C3CCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)CC3)CC2)n1 1835667975 JWMIDHBKBZQKOB-UHFFFAOYSA-N 486.533 0.819 5 20 JCBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](N)c2ccccn2)CCO3)n1 1835700164 JRKMXBQITNGHPH-PGRDOPGGSA-N 486.485 0.163 5 20 JCBD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1)N1C[C@H]2C[C@@H]2C1 1835868628 WRPQGGAXPIQDRQ-BZUAXINKSA-N 459.551 0.843 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CCCCC1)CCO2 1836613053 XHFIWIPWVFYMSR-LJQANCHMSA-N 453.471 0.920 5 20 JCBD CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]cc4[N+](=O)[O-])CCO3)C2)C1 1837795946 CHDKGEXLTAYLGG-NRFANRHFSA-N 494.505 0.255 5 20 JCBD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc(OC)ccc4[N+](=O)[O-])C3)C2)nn1C 1838275168 WGTFCMGPASCEEJ-JOCHJYFZSA-N 488.501 0.678 5 20 JCBD CSCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)CCO2)C1 1838527559 XTVBCSZIZBMFFJ-GCJKJVERSA-N 495.554 0.714 5 20 JCBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839122943 NBYDQNFVZXUBCQ-PKTZIBPZSA-N 475.546 0.873 5 20 JCBD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CCO3)nn1C 1839273810 OQMYPUOPNWSQKX-JOCHJYFZSA-N 473.486 0.655 5 20 JCBD Cn1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CCO3)n1 1839277736 HVYMHPBJTWBIOY-OAQYLSRUSA-N 461.450 0.780 5 20 JCBD C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(F)c3[N+](=O)[O-])CCO2)C1 1839355249 RZQMHPHGSARGEK-VBKZILBWSA-N 487.506 0.485 5 20 JCBD O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1839413875 YSBVUEDDRBIMOF-QFIPXVFZSA-N 482.453 0.727 5 20 JCBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1839466362 UUVOCTSAJOKBSO-QHCPKHFHSA-N 492.529 0.401 5 20 JCBD O=C(c1ccc(=O)oc1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)CCO2 1839482283 SIUMVSFOPPNBTO-QFIPXVFZSA-N 483.437 0.808 5 20 JCBD CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCO2)C1 1839482345 UJZYROLMZAKLFM-JOCHJYFZSA-N 488.501 0.456 5 20 JCBD CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1)N(CC)CC 1839717563 FQWLURYCVCYPOS-WZONZLPQSA-N 493.561 0.333 5 20 JCBD CCO/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1840310030 LFIKODWNUVSSTL-WKOQKXSESA-N 463.443 0.944 5 20 JCBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841894918 SPBZDGQBTABAEU-UHFFFAOYSA-N 479.559 0.208 5 20 JCBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C3)n1 1843586465 CYONUDNUPHDYME-OAHLLOKOSA-N 465.463 0.659 5 20 JCBD O=C(CN(CCO)CCO)N1CC2(CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)C1 1845331211 GAWJLZIIAZIBOB-UHFFFAOYSA-N 485.335 0.461 5 20 JCBD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165088 FYKCRKUFJWFBGJ-KKXDTOCCSA-N 458.450 0.951 5 20 JCBD Cn1c(=O)c2nc(Br)n(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)c2n(C)c1=O 25384819 YBCYYJSLIZRSQO-UHFFFAOYSA-N 463.248 0.694 5 20 JCBD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1C 36754285 UVMGWISSPZCCTF-GASCZTMLSA-N 476.577 0.872 5 20 JCBD CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)cc2[N+](=O)[O-])CC1 109047551 QQVDKFJXRYUXIP-INIZCTEOSA-N 453.521 0.417 5 20 JCBD CS(=O)(=O)c1ccc(N2CCN(C(=O)c3cccc(OCC(N)=O)c3)CC2)c([N+](=O)[O-])c1 481745498 SLNYFOKHHUUJGQ-UHFFFAOYSA-N 462.484 0.825 5 20 JCBD COCCCCNC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 502801833 JKSJOBASGFOMJV-UHFFFAOYSA-N 485.563 0.874 5 20 JCBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 512898524 DONXGYPJMAAUSP-CQSZACIVSA-N 490.494 0.814 5 20 JCBD CC(=O)N[C@H]1CCCN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 514351880 JYQODZSBTIHWGA-HNNXBMFYSA-N 470.504 0.122 5 20 JCBD CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2ccccc2O1 516019684 WEHVBSLJPOMVIW-KRWDZBQOSA-N 454.443 0.179 5 20 JCBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H](O)COc1ccc(F)c(F)c1 520579555 CSBMAMIIXAMPBL-CYBMUJFWSA-N 474.442 0.890 5 20 JCBD Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)N3CCNCC3)cc2)cc1[N+](=O)[O-] 549526337 DIKITNCFGXAVDW-UHFFFAOYSA-N 461.500 0.866 5 20 JCBD CS(=O)(=O)NC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 604325997 HTKVUANOQKNMCH-CQSZACIVSA-N 474.561 0.536 5 20 JCBD COc1cccc(NC(=O)CN(C)C(=O)COC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c1 729948367 ZLQDWAJSVNUQSI-UHFFFAOYSA-N 486.437 0.969 5 20 JCBD O=C(COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] 914653219 PBHLKRNYUODLEU-ZYHUDNBSSA-N 459.864 0.766 5 20 JCBD CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1779037811 IRBQROBZYSNGJX-IBGZPJMESA-N 451.505 0.228 5 20 JCBD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)n1ccccc1=O 1779530776 IFWQIUXJWOXMBZ-ROMRWMGNSA-N 499.524 0.693 5 20 JCBD NC(=O)c1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780234850 VDUCVRADTDCYHQ-JOCHJYFZSA-N 483.437 0.575 5 20 JCBD O=C(NCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1)c1ccco1 1780235055 LYPVLIJQWCDFPN-JOCHJYFZSA-N 486.437 0.790 5 20 JCBD O=C(Cc1cccc([N+](=O)[O-])c1)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780934630 BXXQTJDDEMPWJB-QHCPKHFHSA-N 499.549 0.872 5 20 JCBD COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(=O)n4[nH]cnc4n2)CCO3)c([N+](=O)[O-])c1 1781412617 MCHPQJQJCAFIGT-JOCHJYFZSA-N 497.468 0.021 5 20 JCBD O=C(COC(=O)C(F)(F)F)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1781542330 QKBFUDOWHCLGSE-KRWDZBQOSA-N 461.349 0.849 5 20 JCBD COC(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)c([N+](=O)[O-])c1 1782087720 HIWQCKJXAXNYCS-LAUBAEHRSA-N 495.510 0.402 5 20 JCBD COC(=O)c1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nc(C)c(C)[nH]c2=O)CCO3)c([N+](=O)[O-])c1 1782087945 JJCJFMWZOVXKTJ-QHCPKHFHSA-N 499.480 0.839 5 20 JCBD COC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 1782088525 SPUUNFBLWRTLBR-HXUWFJFHSA-N 464.431 0.181 5 20 JCBD O=C(O)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nc5cc([N+](=O)[O-])ccc5[nH]4)C3)C2)ncn1 1782180575 JLAKAQUFLUZAKM-OAQYLSRUSA-N 481.425 0.717 5 20 JCBD C[C@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1782209105 NWVUYGJANGYWJA-JSNMRZPZSA-N 452.464 0.666 5 20 JCBD Cn1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c1C(F)(F)F 1782781725 ATASYDXACIQYBT-LJQANCHMSA-N 498.418 0.653 5 20 JCBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1784220101 JIZRTGGAXULHTN-XHWGUHIJSA-N 496.542 0.606 5 20 JCBD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)n4cnnn4)C3)C2)cc([N+](=O)[O-])c1OC 1784601476 FKTSQMHBJKKWSW-RBZFPXEDSA-N 475.462 0.303 5 20 JCBD Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@H]4NC(=O)NC4=O)[C@H]3C2)cc1[N+](=O)[O-] 1785151813 ADSYYVLBMARIKF-OVWQWFNUSA-N 473.486 0.024 5 20 JCBD COc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO3)ccc1[N+](=O)[O-] 1785181064 DKGGTKOEKBUMPL-UGKGYDQZSA-N 493.469 0.542 5 20 JCBD O=C(c1ccc(N2C(=O)C=CC2=O)cc1)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1785221539 JDZXIPWYMMZAAK-QFIPXVFZSA-N 480.437 0.505 5 20 JCBD COC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4nc(C)no4)[C@H]3C2)c([N+](=O)[O-])c1 1787054290 JJAQPAHITWXEJF-ZVZYQTTQSA-N 487.469 0.909 5 20 JCBD C[C@H]1Oc2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5n[nH]cc5[N+](=O)[O-])[C@H]4C3)cc2NC1=O 1788813890 ZRCDJLSVTRHAQW-NLNKHKNDSA-N 484.469 0.944 5 20 JCBD NC(=O)c1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)c([N+](=O)[O-])c3)[C@H]2C1 1790022934 RSEYRJLPSOSCFR-XEZPLFJOSA-N 470.442 0.096 5 20 JCBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1790268437 KIQGEIKKHDNGLV-HSCHXYMDSA-N 494.570 0.831 5 20 JCBD CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])[C@H]2C1 1790286165 CSNIRFYCPSPGQK-QRTARXTBSA-N 462.459 0.111 5 20 JCBD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)n4cnnn4)[C@H]3C2)c([N+](=O)[O-])cc1O 1791688275 GGPKIJGTSKRLNO-MCTLKSGKSA-N 475.462 0.150 5 20 JCBD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 1792241524 YAAIZTPXYGIZTC-RTVOOGBCSA-N 494.570 0.916 5 20 JCBD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOC2=O)c([N+](=O)[O-])c1 1793164690 SGYVYGPDVAMITB-ZSBFGKGUSA-N 476.442 0.037 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794386727 GDDFFLLCRQYZRS-XQLPTFJDSA-N 498.496 0.401 5 20 JCBD COCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(N3CCCN(C)CC3)c(F)cc1[N+](=O)[O-])C2 1795203525 NIHYBWMQXBJLDP-MFKICJERSA-N 493.536 0.725 5 20 JCBD COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2c(C)nn(C)c2C)C3)n1 1796718419 CVTZCEGFMSOYPN-ZSBFGKGUSA-N 458.475 0.866 5 20 JCBD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 1797873556 ONSTWUCXDVHZCD-PJHJGJPPSA-N 486.460 0.546 5 20 JCBD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(N(C)C)ccc2[N+](=O)[O-])n(C)n1 1798537329 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CSJZABRIDVOYQZ-GOSISDBHSA-N 485.549 0.987 5 20 JCBD COC(=O)c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](N)CN)CC3)c([N+](=O)[O-])c1 1823805203 WJTINKJBGWDMCE-JQWIXIFHSA-N 462.488 0.350 5 20 JCBD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CCO2)C1 1829618795 YHQVSTWCPYEYSZ-SIKLNZKXSA-N 462.503 0.508 5 20 JCBD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C)COC2)CCO3)c([N+](=O)[O-])c1 1830034397 PWZQNCBVGQXZEM-QFIPXVFZSA-N 463.487 0.639 5 20 JCBD C[C@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(Br)ccc3[N+](=O)[O-])CCO2)C1 1830546855 WUGXRTZJKKQRRM-VLIAUNLRSA-N 499.362 0.951 5 20 JCBD Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)cc1[N+](=O)[O-] 1831608987 JFIPZNRCIKAUPE-OPAMFIHVSA-N 462.503 0.414 5 20 JCBD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2csnn2)CCO3)ccc1[N+](=O)[O-] 1831755249 SYJHFSYYUQJMNY-IBGZPJMESA-N 463.472 0.839 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)C(Cl)(Cl)Cl)C2)C1 1832800100 HXDTVQDQXIETFX-CQSZACIVSA-N 470.697 0.618 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1832800251 CNTFPMQAQUZJBB-JOCHJYFZSA-N 496.484 0.347 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1832800679 XHBAPKBOKNOBBT-OAQYLSRUSA-N 493.517 0.181 5 20 JCBD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)c([N+](=O)[O-])c4)C3)C2)n(C)n1 1833447480 JEKLEFVWONOZNC-NRFANRHFSA-N 475.458 0.426 5 20 JCBD CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)C2)c1F 1833732874 NHHQRONBDWACIM-LJQANCHMSA-N 451.411 0.996 5 20 JCBD Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cc([N+](=O)[O-])ccc4F)C3)C2)n1 1834241715 NGQUEHXCMNRQHO-NRFANRHFSA-N 461.450 0.780 5 20 JCBD Cn1ccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1834398890 DMILNZAAAZHCAT-NRFANRHFSA-N 469.458 0.588 5 20 JCBD CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc(OC)ccc4[N+](=O)[O-])C3)C2)n1 1834404532 AJNXKHICPDRTIY-NRFANRHFSA-N 474.474 0.599 5 20 JCBD NC(=O)[C@@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CC1 1834733732 FYCIVNULNKJBMU-NRFANRHFSA-N 488.589 0.692 5 20 JCBD O=C(COc1ccccc1)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1834955421 ORFQJMPUHGDPSP-QHCPKHFHSA-N 486.481 0.292 5 20 JCBD COc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C3CCN(C(=O)c4[nH]nnc4C)CC3)CC2)n1 1835249882 GQTIDFVJWHRJGU-UHFFFAOYSA-N 472.506 0.924 5 20 JCBD CC[C@@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])c(O)cc3C)C2)C1 1835914329 OSXPUGNIFSUILM-IIBYNOLFSA-N 450.492 0.677 5 20 JCBD CC[C@@H](NC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1836483366 AGTLTBNHPKUSNI-QRWLVFNGSA-N 467.454 0.251 5 20 JCBD COc1ccc(F)cc1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1836508096 JTHZYKVOORWQOO-NRFANRHFSA-N 477.449 0.778 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccccc13)CCO2 1836943065 UCEZZKAYVLMACK-QHCPKHFHSA-N 496.480 0.403 5 20 JCBD CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1837244147 OUTIZPGQUZPODJ-QTYPKTMWSA-N 469.516 0.529 5 20 JCBD Cc1nc2sccn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837797074 QCBDEQODRKDDLR-LJQANCHMSA-N 475.487 0.719 5 20 JCBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccnn4)CCO3)C2)n1 1837871635 JPFSMFVKOGJJBK-HXUWFJFHSA-N 458.431 0.172 5 20 JCBD O=C1CCCN1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)CCO2 1838525178 KMZDKDNHBQHHAD-QHCPKHFHSA-N 488.497 0.222 5 20 JCBD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCN(C)C4)C3)C2)c([N+](=O)[O-])cc1O 1838601312 KURWNNCPUGZATJ-MWTRTKDXSA-N 492.529 0.721 5 20 JCBD Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838627945 OQIIWZFAVPWGDU-HXUWFJFHSA-N 474.430 0.134 5 20 JCBD COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@]2(C)CCCN2)CCO3)c([N+](=O)[O-])c1 1839123006 QGZWRTCYTXDPRB-DHIUTWEWSA-N 490.513 0.594 5 20 JCBD 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CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1834416148 YHMSKIKEUWEVLS-QFIPXVFZSA-N 489.485 0.909 5 20 JCBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCC(N2CCC(NC(=O)C(=O)N(C)C)CC2)CC1 1834634036 XDGXOWQLCWVGQB-UHFFFAOYSA-N 461.519 0.882 5 20 JCBD COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1834856515 OEHRWQXOSGMUOO-NRFANRHFSA-N 479.442 0.347 5 20 JCBD COc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)ccc1[N+](=O)[O-] 1835513916 OGHAWJGLAPXWPZ-HXUWFJFHSA-N 481.531 0.229 5 20 JCBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835994299 YQPSJFMQAMUWCQ-LHXJMTLCSA-N 472.454 0.519 5 20 JCBD NC(=O)c1nccnc1C(=O)N1CCC(N2CCC(NC(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 1836197113 PREVFOLQVKPWGU-UHFFFAOYSA-N 470.490 0.311 5 20 JCBD COc1nccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)c1F 1836234146 LBKNVIQVAYOCRR-FQEVSTJZSA-N 478.437 0.104 5 20 JCBD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1)N1CSCSC1 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0.512 5 20 JCBD CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CCO2)C1 1839278191 HGEOOCLPKBMFGE-RNODOKPDSA-N 452.439 0.329 5 20 JCBD CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1839643609 QVGNOQGOMWGXTP-VFNWGFHPSA-N 450.492 0.711 5 20 JCBD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)O)CCO3)cc([N+](=O)[O-])c1OC 1840027323 OEPHWVKBVGQPCQ-RNODOKPDSA-N 453.448 0.063 5 20 JCBD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840142603 TZKKIVOGHWBKIO-PDSXEYIOSA-N 477.474 0.143 5 20 JCBD CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1840854564 GCGGQJXRJWRUTQ-VGOFRKELSA-N 478.502 0.675 5 20 JCBD COC(=O)CSCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CCO2)C1 1840897462 DYYGNJNTWOKRRR-WMWRJIBUSA-N 493.538 0.971 5 20 JCBD C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1845004679 YQSGCHJVYZEOHF-OAHLLOKOSA-N 485.472 0.918 5 20 JCBD CC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)c1ccc(F)cc1 1845006699 TWHRDIFOWUQKCV-FQEVSTJZSA-N 485.472 0.976 5 20 JCBD COc1cc(CC(=O)N2CCCC23CN(C(=O)CNCP(=O)(O)O)C3)ccc1[N+](=O)[O-] 1845147686 RCFMGKREHBXONP-UHFFFAOYSA-N 456.392 0.074 5 20 JCBD NC(=O)c1cccc(CNc2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])c1 26720922 NVMZLCDGAUMXLK-UHFFFAOYSA-N 463.516 0.916 5 20 JCBD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 109262426 YHTMOHZRWVBJKY-LLVKDONJSA-N 462.531 0.418 5 20 JCBD CN1CCN([C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 483434845 FHTKMLHJOLSRRQ-HXUWFJFHSA-N 461.544 0.978 5 20 JCBD CS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1[N+](=O)[O-] 485896177 VZBVICRTZOGKRI-UHFFFAOYSA-N 497.555 0.275 5 20 JCBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H](O)COc1ccc(F)cc1 516703664 NGAONGQOIDIZNZ-HNNXBMFYSA-N 456.452 0.751 5 20 JCBD COC(=O)C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 604306017 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Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 1833226085 YHOXDDHRHZRSAY-HXUWFJFHSA-N 478.893 0.689 5 20 JCBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)c1c(F)ccnc1Cl)CCO2 1833252089 PBLUIUYMHAJNRW-GOSISDBHSA-N 468.829 0.889 5 20 JCBD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1)N1CSCSC1 1837797061 PIHGIKKHQSWUEK-SCLBCKFNSA-N 486.576 0.431 5 20 JCBD O=C(c1ncccc1Br)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1838074634 GBYZWKHHIUVXLL-GOSISDBHSA-N 495.290 0.859 5 20 JCBD O=C(/C=C\C(=O)N1CCC(OC2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1)NC1CC1 1838093800 YSRLPWMBKIOSGV-ARJAWSKDSA-N 460.491 0.765 5 20 JCBD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cn[nH]c4)C3)C2)c([N+](=O)[O-])cc1O 1838600877 DZSATGZLXPAQLX-JOCHJYFZSA-N 489.485 0.735 5 20 JCBD COc1c(Cl)ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1838728882 WUSSCNIWAUNIHO-LJQANCHMSA-N 480.865 0.759 5 20 JCBD 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CO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CCO2)C1 1839450410 MWBRZIAKJRIDLU-QVKFZJNVSA-N 450.492 0.766 5 20 JCBD O=C(COCCO)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)CCO2 1839632780 PAWGYTUWMWHWIG-NRFANRHFSA-N 479.511 0.888 5 20 JCBD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)C1)n1ccnn1 1839705955 XUAYIBVWYPPRDO-PIBOFXKISA-N 460.447 0.510 5 20 JCBD O=C(CCc1ccc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)CCO2 1839717845 VTKQBCXARBDQJU-QFIPXVFZSA-N 473.486 0.174 5 20 JCBD COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)ccc1[N+](=O)[O-] 1839723344 QSCKVWJEXCSJAM-NRFANRHFSA-N 459.459 0.639 5 20 JCBD CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc(OC)ccc4[N+](=O)[O-])C3)C2)COC1 1839777017 SPWLAJWNELMIMB-NRFANRHFSA-N 464.475 0.495 5 20 JCBD CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ccccc3[N+](=O)[O-])CCO2)C1 1840112039 WPVPMRVDCDRNAF-YCRPNKLZSA-N 480.543 0.668 5 20 JCBD 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COc1cccc(N2C[C@@H](C(=O)N3CCO[C@]4(CCN(C(=O)c5n[nH]cc5[N+](=O)[O-])C4)C3)CC2=O)c1 1779379147 UFMMMZIEBPLQPW-WNSKOXEYSA-N 498.496 0.823 5 20 JCBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(CCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C2)C1 1780038108 ZMMHTMWABDQNJJ-QFIPXVFZSA-N 478.469 0.959 5 20 JCBD CN(C)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)CCO3)C2)cc1 1780726879 BRWSTARCEZDOHD-HSZRJFAPSA-N 469.498 0.966 5 20 JCBD C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1780905437 VFIWECMUJSWBAU-ZSEKCTLFSA-N 474.449 0.719 5 20 JCBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2 1781172126 SWUFXAGJXPAVDP-YLJYHZDGSA-N 459.463 0.423 5 20 JCBD COc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)ccc1[N+](=O)[O-] 1781188884 HLAJEKYUMQLAKO-QHCPKHFHSA-N 486.481 0.999 5 20 JCBD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO3)C2)cc([N+](=O)[O-])c1OC 1782120154 VMPQWXWVDULOTC-FGZHOGPDSA-N 495.485 0.671 5 20 JCBD 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CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)C1)C(=O)O 1781587265 HQOZAKAHCGUDAO-BFUOFWGJSA-N 499.318 0.864 5 20 JCBD Cc1c(C(=O)N2CC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)cc(Cl)cc1[N+](=O)[O-] 1781998931 DJTPGOPRDLZSLS-FQEVSTJZSA-N 464.910 0.840 5 20 JCBD O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1783439227 QLZKPOAJKVUPGL-DSLXNQLJSA-N 465.528 0.694 5 20 JCBD O=C1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4ccc([N+](=O)[O-])cc4F)C[C@@H]32)CN1 1783634795 ZUAMKEXZDFJNHO-YEWFCNIMSA-N 462.478 0.782 5 20 JCBD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CCO2)C1 1784370973 PDBHVODDTXOTOB-ZJSXRUAMSA-N 498.540 0.828 5 20 JCBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/c4cnccn4)C3)C2)n1 1784621277 CTDCHYLNOBSOJX-RHRNASEZSA-N 454.443 0.945 5 20 JCBD COC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)ncn4)[C@H]3C2)c([N+](=O)[O-])c1 1784669601 WODRJOIRHPMPFW-YEWWUXTCSA-N 485.453 0.784 5 20 JCBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]2C1 1784915094 VFBHEQVHVSHTIZ-CIUDSAMLSA-N 467.332 0.266 5 20 JCBD COc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO3)ccc1[N+](=O)[O-] 1785181063 DKGGTKOEKBUMPL-SIKLNZKXSA-N 493.469 0.542 5 20 JCBD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4nc[nH]c4[N+](=O)[O-])CCO3)C2)C1 1785729174 YBRGSLIQJUIBGF-SZNDQCEHSA-N 494.505 0.397 5 20 JCBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4CN3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787477525 WHYJWWSISDIUHY-FJIDUMEYSA-N 454.487 0.626 5 20 JCBD CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(OC)ccc3[N+](=O)[O-])[C@H]2C1 1787750291 OJYYPHZRVHUBNG-YXWQFLTLSA-N 463.491 0.506 5 20 JCBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21)c1cc2cccnn2n1 1789140334 SFEZPDJJTQOCJX-OWQGQXMQSA-N 454.447 0.128 5 20 JCBD CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc([N+](=O)[O-])cc4c3OCC4)[C@H]2C1 1789218109 DKCBLCGCRIKTMC-PQTDTLSBSA-N 474.514 0.990 5 20 JCBD O=C1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc([N+](=O)[O-])c5c4OCO5)[C@H]3C2)CN1 1789287673 YQJGCKUUDLJXBC-HPZZRFSDSA-N 474.470 0.443 5 20 JCBD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21)c1cc(O)cc([N+](=O)[O-])c1 1790213838 HWFJFKQBMXSVJF-IGNZVWTISA-N 474.430 0.699 5 20 JCBD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4C[C@@H](O)C4)C[C@@H]32)cc([N+](=O)[O-])c1OC 1790300972 AOVIALYIBJMWEQ-AFFGTUGMSA-N 463.487 0.976 5 20 JCBD COC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCn4ccnn4)[C@H]3C2)c([N+](=O)[O-])c1 1791647712 GLNSFZUEFFVJTK-IEZWGBDMSA-N 486.485 0.657 5 20 JCBD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21)n1cnnn1 1791689746 LRVQJYABUQGICP-WTEXNCRTSA-N 455.475 0.835 5 20 JCBD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 1792523730 MFLBRULIXFPGLR-FTUNRGFVSA-N 473.438 0.911 5 20 JCBD CCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2 1793247683 BYPCYRANARGEKH-JRATXPSKSA-N 462.459 0.441 5 20 JCBD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN(C)C(C)=O)cc([N+](=O)[O-])c1OC 1793750589 GFCVPBMUDFJVRN-CWPLJXCYSA-N 478.502 0.684 5 20 JCBD COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(OC)nn2C)n1 1794343545 YPOYRPDFSORGFK-DPIQGUFMSA-N 460.447 0.258 5 20 JCBD CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 1798011981 HBJZDVMXCVGXRN-IQHMXFAQSA-N 478.506 0.824 5 20 JCBD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)c(OC)c1 1798820364 LDEWWJQHJJPJNY-VTEUUUEMSA-N 459.459 0.712 5 20 JCBD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)N2CCN(C)CC2)ncc1[N+](=O)[O-] 1799184890 SUCKTSNNTOSKDP-PDOICOKGSA-N 460.535 0.137 5 20 JCBD CC(=O)N(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 1799796201 YPTXSNDOJVKSGF-VPTLXERWSA-N 461.519 0.732 5 20 JCBD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2nc(C)no2)C3)c([N+](=O)[O-])c1 1799821680 PEZMZWHAGLCJOC-HBCWATKFSA-N 473.442 0.519 5 20 JCBD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(=O)n2C)C3)cc([N+](=O)[O-])c1OC 1799841840 WFHAVESWVIUAPC-YVWYUNDQSA-N 486.481 0.828 5 20 JCBD COc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)n2cncn2)ccc1[N+](=O)[O-] 1801360244 UOMVQCNDAFDJFG-NTNQKNOYSA-N 458.475 0.588 5 20 JCBD COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C/c2cnccn2)n1 1801445358 YMEBLGTVZMPAAW-IEEJQYOHSA-N 454.443 0.705 5 20 JCBD CCC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 1804414698 BPPLOCBOKUCQJX-IIMJZQEZSA-N 457.491 0.807 5 20 JCBD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccnc1 1804415468 NHAXFSDLGNJMIK-OGWOLHLISA-N 493.546 0.220 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@H]1c1cccnc1 1804417859 LFQVUIZQMSQWRK-GUYCJALGSA-N 469.418 0.837 5 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475.433 0.542 5 20 JCBD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO3)ccc1[N+](=O)[O-] 1832168082 ZVLLTRGJELTPMD-OALUTQOASA-N 491.419 0.987 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)c3ccccc3)C2)C1 1832793841 VEVBUKUYHKHKDD-TZIWHRDSSA-N 461.450 0.959 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)C3(C(F)(F)F)CC3)C2)C1 1832798884 VOJZMMCQESXMES-MRXNPFEDSA-N 461.397 0.590 5 20 JCBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833114878 RVACLEPYSFLLQB-SGRIQBTBSA-N 457.443 0.690 5 20 JCBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)c1c(F)ccnc1Cl)CCO2 1833253427 OGOOEAKHOOPBGM-GOSISDBHSA-N 468.829 0.889 5 20 JCBD Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)cc1[N+](=O)[O-] 1833314829 MVPCTSDADYKPBH-XMMPIXPASA-N 497.508 0.710 5 20 JCBD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc([N+](=O)[O-])c(O)cc4C)C3)C2)n(C)n1 1833446061 CMEQTBPAKKSGAT-QFIPXVFZSA-N 489.485 0.735 5 20 JCBD 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C[C@@H](Cn1ccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790654954 BQGTZBWZLYZZPC-DWRORGKVSA-N 472.502 0.269 5 20 JCBD O=C(/C=C/c1ccc([N+](=O)[O-])o1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2 1793104504 VIPPZMURXSVBPR-DITHVSAQSA-N 450.517 0.839 5 20 JCBD COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1 1794090066 BAHNYFJKQGPZCN-BCDXTJNWSA-N 494.570 0.515 5 20 JCBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(N3CCCC3)ccn1)C2)c1nc[nH]c1[N+](=O)[O-] 1796402518 QZHAGLQVYXPBAF-XOIINTDNSA-N 455.475 0.830 5 20 JCBD Cn1nc(C(F)(F)F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796402791 BXSYEMALSKTQIA-BZBKMWRSSA-N 457.369 0.587 5 20 JCBD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)N2CCOCC2)c([N+](=O)[O-])cc1O 1798489209 UBGWGJNBONOYIP-PSUSHLJKSA-N 464.475 0.211 5 20 JCBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2C(N)=O)C3)c1 1798538625 GQJWWPFEZFKOQW-FVCICTRLSA-N 483.485 0.067 5 20 JCBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)c1cc(-n2ccnc2)ccn1 1798725665 QWHICRVIXYVQEF-YVWYUNDQSA-N 466.458 0.275 5 20 JCBD CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C3)cc1 1798938677 WSECAICLFSSUNV-UPHUGPLXSA-N 469.498 0.726 5 20 JCBD O=C(CN(CCO)CCO)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc2c1OCC2 1799216234 KGUWAKMHFKBHQG-BJWYYQGGSA-N 462.503 0.068 5 20 JCBD CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1799366038 FEYRFKCVDQMMTO-KYZVSKTDSA-N 481.506 0.402 5 20 JCBD NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1Br 1799517159 NFAGHUPODHOAHY-YQYWCBKUSA-N 469.292 0.826 5 20 JCBD CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Br)ccc1[N+](=O)[O-] 1799566906 PBDBHHMUGUTUFA-YQYWCBKUSA-N 469.292 0.697 5 20 JCBD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccn(C)n2)C3)cc([N+](=O)[O-])c1OC 1799841870 XUTVYMFMOJRUAJ-ZSBFGKGUSA-N 459.459 0.863 5 20 JCBD CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1799874891 ASLVSKROVKGORO-DPIQGUFMSA-N 465.488 0.109 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cc(F)ccc3n1)C2 1800282049 BWOHIDLJGRKGSF-VTEUUUEMSA-N 484.444 0.447 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccccc13)C2 1800282442 YMTFEBZWECBSIH-HBCWATKFSA-N 466.454 0.536 5 20 JCBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)C2)[C@@H]1CCCS1(=O)=O 1800393787 KZWCCDJTNLNODZ-LZDSYCOUSA-N 477.499 0.252 5 20 JCBD O=C(Cn1ccc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1803399336 ARUAIAKHGGOZPY-JXFKEZNVSA-N 453.455 0.961 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCN(C(=O)c2cc(O)ncn2)[C@H]1c1cccnc1 1804415484 OBPVXNHVWIQBKY-KUHUBIRLSA-N 452.431 0.702 5 20 JCBD O=C(NC[C@H]1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@H]1c1cccnc1)c1cncnc1 1805793295 RONYZCNFRKUDCW-UZLBHIALSA-N 463.454 0.961 5 20 JCBD O=C(Cn1cccn1)NC[C@H]1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@@H]1c1cccnc1 1807639792 HZESCCCMENAGPQ-DYESRHJHSA-N 465.470 0.754 5 20 JCBD COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)[C@H]2c2cccnc2)n1 1808879998 GZCVRJVFTMSFLI-WTANOLMUSA-N 481.473 0.961 5 20 JCBD CN1CCN(CC(=O)NC[C@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2c2cccnc2)CC1 1809599627 AWMFUYQSNOOFBO-APWZRJJASA-N 456.507 0.280 5 20 JCBD O=C(NC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1cccnc1)[C@H](O)N1CCOCC1 1810351846 QJIRMAKPTMYDTJ-KLHJMIIUSA-N 458.475 0.288 5 20 JCBD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccnc1 1810638479 MYRITLQBGSPVGF-WRWLIDTKSA-N 495.500 0.503 5 20 JCBD Cn1cccc(C(=O)N2CC[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@@H]2c2cccnc2)c1=O 1812409211 UHVRUUHIQWFMAV-UWJYYQICSA-N 492.492 0.870 5 20 JCBD CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)CC2)C(=O)C(=O)O 1824673529 IKIBAPSYQFKSPQ-QMMMGPOBSA-N 450.433 0.148 5 20 JCBD O=C(Cc1cncnc1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)CCO2 1829617917 KJLLANFZMQSNCT-JOCHJYFZSA-N 455.471 0.626 5 20 JCBD C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc([N+](=O)[O-])c3)CCO2)C1 1832173323 MLHZCYFFROKUGT-HTAPYJJXSA-N 497.570 0.665 5 20 JCBD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832519143 ZGDKUBWTECTLAD-NODKNVJMSA-N 451.480 0.187 5 20 JCBD COc1cncc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)c1 1832796050 NCERIGHWLBWGLL-JOCHJYFZSA-N 488.501 0.284 5 20 JCBD Cc1ccc(O)c(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c1 1832801272 YSSNZYHDSDALIN-NRFANRHFSA-N 459.459 0.576 5 20 JCBD O=C(Cc1cncnc1)N1CCO[C@]2(COCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 1833125163 NZPLMISRSZDUMS-OAQYLSRUSA-N 459.434 0.837 5 20 JCBD C[C@](O)(C(=O)NC1CCN(C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1)C(F)(F)F 1833638790 DDXCRMPEPHGFNE-SFHVURJKSA-N 476.456 0.676 5 20 JCBD CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1837235476 ZFNVQPFBLKVLBH-MNAQKMTRSA-N 467.544 0.752 5 20 JCBD COC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)no4)CCO3)C2)c([N+](=O)[O-])c1 1838109566 YNKQFEBJRSHWKR-OAQYLSRUSA-N 490.425 0.459 5 20 JCBD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc([N+](=O)[O-])cc5c4OCC5)C3)C2)nn1 1838350228 KMTXYCHMHJQRJU-HSZRJFAPSA-N 499.480 0.712 5 20 JCBD O=C(c1cnco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])cc3c1OCC3)CCO2 1838524052 GHYVYOXZHLMNLH-NRFANRHFSA-N 458.427 0.902 5 20 JCBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C)COC4)C3)C2)c1 1838542765 NGIGUSCGMKWVTB-QFIPXVFZSA-N 462.503 0.767 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)ccc1F)CCO2 1838860138 PSAAAXNZPKBFPY-JOCHJYFZSA-N 492.435 0.805 5 20 JCBD Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)c1 1838941644 VEZBUTIXXIQSNB-QHCPKHFHSA-N 470.482 0.835 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ccc1F)CCO2 1839294149 VJMRUCVIENNWHY-FQEVSTJZSA-N 463.422 0.406 5 20 JCBD COc1cc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c(F)c1 1839334058 QHHPJRZHHQAGRX-FQEVSTJZSA-N 481.412 0.989 5 20 JCBD O=C1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(F)cc([N+](=O)[O-])c4)CCO3)C2)CN1 1839352527 SYORMHYRAWXHJS-SPLOXXLWSA-N 464.450 0.330 5 20 JCBD O=C(c1cc(O)no1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)c1[N+](=O)[O-])CCO2 1839355875 FRTISJQGQRAJFX-LJQANCHMSA-N 450.379 0.811 5 20 JCBD CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CCO2)C1)C(C)(C)C 1839412664 FUPQKRRZLWFFNA-WMZHIEFXSA-N 492.529 0.921 5 20 JCBD C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCO2)C1 1839482020 KWAUJIMOZGQRHB-YEJXKQKISA-N 474.474 0.053 5 20 JCBD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCO2)C1)n1ccnn1 1839483698 NHYXECLAQGURLN-QKKBWIMNSA-N 484.473 0.394 5 20 JCBD CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1839880019 CFVFHKNJIBYIGD-XCLFUZPHSA-N 452.439 0.329 5 20 JCBD COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1840321561 BRBMKCGLXPYIRV-IBGZPJMESA-N 454.411 0.160 5 20 JCBD COc1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cc(C)on4)CCO3)C2)n1 1840367733 TWWZFJOPOKGBGQ-NRFANRHFSA-N 475.458 0.608 5 20 JCBD Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1840437042 OADCVNHVUFNJCO-HSZRJFAPSA-N 487.513 0.963 5 20 JCBD Cc1nccn1[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1840489454 VTEGFCJJHDBAMZ-MGPUTAFESA-N 461.479 0.014 5 20 JCBD O=C(c1cccc([N+](=O)[O-])c1Br)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842874774 PKEWNEWNPIOMKR-UHFFFAOYSA-N 491.235 0.899 5 20 JCBD CS(=O)(=O)c1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)c3n[nH]cc3[N+](=O)[O-])C2)c1 1844412607 XAYACRBKDFNUGS-UHFFFAOYSA-N 451.436 0.991 5 20 JCBD O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]nnc2n1 1847995245 ZOYWLVAVOWSIMD-HOTGVXAUSA-N 452.431 0.169 5 20 JCBD CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2cc([N+](=O)[O-])cn2)CCOC1 1848164121 GEGGTIDSSJNHBU-CKJXQJPGSA-N 478.506 0.677 5 20 JCBD COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 18169753 LPJVHCHXMNIFGX-UHFFFAOYSA-N 453.429 0.886 5 20 JCBD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 18392524 NDBWEIRKYHQWKB-UHFFFAOYSA-N 470.435 0.889 5 20 JCBD O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCC(C(=O)N2CCCC2)CC1 501602371 AQUIXLHYLUVWGW-UHFFFAOYSA-N 493.586 0.762 5 20 JCBD CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 507502757 KUKLBOPYMDJFTN-AWEZNQCLSA-N 464.522 0.272 5 20 JCBD O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCOCC2)nc1 518954058 JTWQCDYZFHBFQQ-UHFFFAOYSA-N 450.477 0.926 5 20 JCBD C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)C1 610925250 ONBBLJCSPMNNTB-IRXDYDNUSA-N 473.530 0.969 5 20 JCBD CCc1noc(CCCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 919516499 PAHSODSCYXNGLQ-UHFFFAOYSA-N 495.514 0.939 5 20 JCBD CN1CCN(c2ccccc2NC(=O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 920205167 IFBKHOCZNAXVGO-UHFFFAOYSA-N 490.542 0.380 5 20 JCBD Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CN4CCN(C)CC4)C3)C2)cc1[N+](=O)[O-] 1778261762 KAWSUIHGVPNXLH-QHCPKHFHSA-N 459.547 0.523 5 20 JCBD CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)C2 1779199842 DKOABDHEIISPPI-ZWCUEREDSA-N 494.501 0.795 5 20 JCBD CN1CCN(C2(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)c4n[nH]cc4[N+](=O)[O-])C3)CC2)CC1 1779603274 QCFWXLMYPCYPGT-DYESRHJHSA-N 475.550 0.225 5 20 JCBD COc1nccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780233845 AWKNWYKVTFPWAQ-OAQYLSRUSA-N 471.426 0.879 5 20 JCBD O=C(COCCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2 1780766297 DLCNADJHRUUHRA-IIBYNOLFSA-N 465.459 0.460 5 20 JCBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1782053381 HOULNBIZKIYBFM-QRQCRPRQSA-N 459.503 0.631 5 20 JCBD Cn1nc(C(F)(F)F)cc1C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782787937 TURISAQFCJYTCY-IBGZPJMESA-N 498.418 0.653 5 20 JCBD CC(C)N1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782789469 SVPTZXXRKMWJBL-JTSKRJEESA-N 461.519 0.459 5 20 JCBD COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4CCN(C)CC4)[C@H]3C2)n1 1783597793 XCRCAMMQQOYCDO-BQFCYCMXSA-N 461.519 0.934 5 20 JCBD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CCO2)C1)c1ccccn1 1784657224 NJXIOAVTDIUZNR-ZHRRBRCNSA-N 455.471 0.785 5 20 JCBD COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCS(C)(=O)=O)C3)C2)c([N+](=O)[O-])cc1O 1784746669 OZMMWUHXJZTMSJ-LJQANCHMSA-N 471.488 0.187 5 20 JCBD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccn(C)n4)[C@H]3C2)c([N+](=O)[O-])cc1O 1786083543 QNYDVXODJAOJIP-PJFSTRORSA-N 459.459 0.950 5 20 JCBD CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3ccccc3[N+](=O)[O-])C[C@@H]21)C(=O)O 1786899429 DANUXGONLCIJNT-JKQORVJESA-N 480.543 0.729 5 20 JCBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnc(O)nc4O)[C@H]3C2)c1 1787432172 LOLGAHVTMPEADX-IWEFOYFVSA-N 486.485 0.769 5 20 JCBD Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4cccc([N+](=O)[O-])c4)C[C@@H]32)no1 1788667873 SZBXYGFZHULBGJ-QRFRQXIXSA-N 485.497 0.843 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@@H]21 1790652342 KWHZCRFMCDGQTB-ZVZYQTTQSA-N 458.475 0.092 5 20 JCBD C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1792985814 ZBTATUMOSMCLIW-FQUUOJAGSA-N 466.495 0.682 5 20 JCBD O=C(Cn1ccc2ccc([N+](=O)[O-])cc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ncn1)C2 1793210394 DFFZAXMNPDTLJK-USGNIVHTSA-N 466.454 0.949 5 20 JCBD O=C(CCn1c(=O)oc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1793982107 ACUMWURBRLSPQV-USGNIVHTSA-N 484.469 0.379 5 20 JCBD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)nc2nccn12 1794005947 UHQOGUPPDJUAKV-ZSBFGKGUSA-N 454.447 0.046 5 20 JCBD O=C(O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cc(F)ccc2[N+](=O)[O-])C3)ncn1 1794370180 QZOQFUOSQJBIPW-DBWKPXFBSA-N 473.417 0.668 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2cccnn12 1799188139 KTJSZPDQLVPNMU-BTTYYORXSA-N 452.431 0.146 5 20 JCBD O=C(Cn1ccncc1=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(c2cccc([N+](=O)[O-])c2)CCC1 1799246075 JKILKOWDALSCHC-FAQVEIGNSA-N 481.509 0.863 5 20 JCBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2)c1cc(Br)ccc1[N+](=O)[O-] 1799568079 JVSXXPMICCIAIO-DPIQGUFMSA-N 472.292 0.569 5 20 JCBD CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C2 1799683857 SJHOMRDHTUWCEL-VLBMKZOESA-N 496.492 0.709 5 20 JCBD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)c([N+](=O)[O-])c1 1799822385 FSFQKKODIPOGJC-ZSBFGKGUSA-N 476.442 0.037 5 20 JCBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ncccn1)C2)c1nc2cc([N+](=O)[O-])ccc2[nH]1 1799875519 UAZOUHZTMSZWNV-DBWKPXFBSA-N 451.443 0.707 5 20 JCBD COc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccc(O)nn2)ccc1[N+](=O)[O-] 1800207280 JYLGLLOWKVYFJE-YEZVWNJWSA-N 487.469 0.310 5 20 JCBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2)c1ccc(N2C(=O)C=CC2=O)cc1 1801868649 DHWPXSCFFKQPIV-USGNIVHTSA-N 479.449 0.869 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCN(C(=O)c2cnncc2C(=O)O)[C@H]1c1cccnc1 1804420477 DUBVDEVIRQGEOY-LIRRHRJNSA-N 480.441 0.694 5 20 JCBD O=C(NC[C@@H]1CCN(C(=O)CSc2nc[nH]n2)[C@H]1c1cccnc1)c1n[nH]cc1[N+](=O)[O-] 1810638922 RECUNCMVPQQROY-LRDDRELGSA-N 457.476 0.943 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@H]1CCN(C(=O)Cn2ccnn2)[C@@H]1c1cccnc1 1812411815 NKLDGAVVDIEJOE-OXQOHEQNSA-N 466.458 0.149 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)NC[C@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@@H]1c1cccnc1 1812411980 TUXNREWKMQDLGS-RDTXWAMCSA-N 467.442 0.600 5 20 JCBD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)C(C)C)CCO3)ccc1[N+](=O)[O-] 1830877802 PFIGZBNBZOQACR-WIYYLYMNSA-N 451.476 0.690 5 20 JCBD COC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)C2)C1 1831636938 IRKLUWWHAJGJGC-BTYIYWSLSA-N 451.476 0.956 5 20 JCBD CN1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 1832067257 WNZFWUIWCCWRAY-UGKGYDQZSA-N 464.494 0.827 5 20 JCBD CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1832292568 BAVHIMOOAGYFKF-OAQYLSRUSA-N 466.466 0.672 5 20 JCBD CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 1832298756 ODAIRTJHROGJLC-QFIPXVFZSA-N 480.493 0.601 5 20 JCBD O=C(c1ccc[n+]([O-])c1)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1833277020 HVCFSKUVIWSACW-QHCPKHFHSA-N 484.465 0.547 5 20 JCBD CC(=O)NCC(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1833544938 GOOVQRYMCSZPDQ-UHFFFAOYSA-N 463.539 0.665 5 20 JCBD O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCN(C2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1 1833786387 ZDJGDFFEDWDFGJ-UHFFFAOYSA-N 482.505 0.114 5 20 JCBD Cc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1834067989 FOFJHLATNYNIIO-NRFANRHFSA-N 475.458 0.132 5 20 JCBD O=C(Cn1ccnc1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1834386639 VXUDKACHTRGBFQ-OAQYLSRUSA-N 473.442 0.290 5 20 JCBD Cc1cc2nnc(C(=O)NC3CCN(C4CCN(C(=O)c5nc[nH]c5[N+](=O)[O-])CC4)CC3)c(C)n2n1 1835337530 JQFZZLFAEHGMMU-UHFFFAOYSA-N 496.532 0.871 5 20 JCBD N=C(N)SCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1835514069 AAOWDHRLUFDFEX-LJQANCHMSA-N 481.487 0.020 5 20 JCBD CNCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])C2)C1 1835663223 STUFMCGNSSYGIE-JOCHJYFZSA-N 463.535 0.730 5 20 JCBD CN(C)C(=O)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc[nH]c2[N+](=O)[O-])CCO3)c1 1836510614 HOPXHJVXPLHHNM-QFIPXVFZSA-N 486.485 0.404 5 20 JCBD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836657529 YFZXDRPYYPBTPV-AVRDEDQJSA-N 456.455 0.997 5 20 JCBD C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)C2)C1 1837701480 ONMFMJIMTBMVPM-HJPURHCSSA-N 489.529 0.422 5 20 JCBD Cc1nc[nH]c1CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837796693 CDYDGDIKKMUBTL-LJQANCHMSA-N 479.519 0.353 5 20 JCBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1837799192 VXOHYEXRXDQNDA-FQEVSTJZSA-N 479.490 0.321 5 20 JCBD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)ccc1[N+](=O)[O-] 1838378061 ZLJIWNNYFSUSPP-NRFANRHFSA-N 473.442 0.483 5 20 JCBD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(C)(C)C)C3)C2)c([N+](=O)[O-])cc1O 1838602273 YHILTNNTDLMWLS-QFIPXVFZSA-N 480.518 0.767 5 20 JCBD CC[C@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)CCO2)C1 1838627930 OHBFHDKQTKXSOB-YCRPNKLZSA-N 464.475 0.392 5 20 JCBD CC(C)c1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCO3)no1 1838824979 COEIPUDWIAVALQ-HXUWFJFHSA-N 462.463 0.742 5 20 JCBD COc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4noc(C)n4)C3)C2)ccc1[N+](=O)[O-] 1839136197 MELTUURAJPYZHY-QFIPXVFZSA-N 489.485 0.536 5 20 JCBD O=C(COCCO)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc4ccc([N+](=O)[O-])cc43)C2)C1 1839191808 HKORZSPVCWEYBS-JOCHJYFZSA-N 476.486 0.015 5 20 JCBD CN1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc([N+](=O)[O-])c4Br)CCO3)C2)C1 1839289937 LJFZVRBDKPYOOO-HXUWFJFHSA-N 497.346 0.989 5 20 JCBD Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1839466402 XDGMLBAWKCWIDD-HXUWFJFHSA-N 460.447 0.121 5 20 JCBD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc([N+](=O)[O-])c(O)cc2C)CCO3)nn1C 1839467654 PONBHNLJUNHMCR-JOCHJYFZSA-N 489.485 0.735 5 20 JCBD O=C(Cc1cccc(F)c1F)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1839980962 VGPCFBFIDUGPLU-OAQYLSRUSA-N 479.440 0.769 5 20 JCBD O=C(O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 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CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1843389735 ADQGBPRLTJUTOW-KGLIPLIRSA-N 478.506 0.753 5 20 JCBD Cc1ccn2c(=O)c(C(=O)N3CC4(CCCN4C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)cnc2c1 1845824661 QJYFYTQXFVEXHH-UHFFFAOYSA-N 478.465 0.590 5 20 JCBD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])c(OC)c1 1847788538 FQIOUTHXFRXHQD-SNPRPXQTSA-N 454.505 0.747 5 20 JCBD Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)CC1 9943160 AFWCANMUFIGVSP-UHFFFAOYSA-N 458.474 0.951 5 20 JCBD O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)c1cccc(F)c1 26541968 XQJGBVZHCUTRMG-UHFFFAOYSA-N 450.448 0.997 5 20 JCBD O=C(c1nc2ncc(Br)cn2n1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 508634899 XDMYQFSHQJCKHN-UHFFFAOYSA-N 496.303 0.942 5 20 JCBD O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(=O)n(-c2ccc(F)cc2)n1 604466186 NZLCYXOURWLSDN-UHFFFAOYSA-N 461.431 0.988 5 20 JCBD CN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 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0.409 5 20 JCBD CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2 1799795400 FHAIXAKKQNSIKP-DBWKPXFBSA-N 456.459 0.673 5 20 JCBD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)OCO3)C2 1800282771 UGWLQBSSEMSGBC-YVWYUNDQSA-N 470.438 0.389 5 20 JCBD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1800736537 PZBVGJHYXUXNEA-PISJBGMTSA-N 466.454 0.431 5 20 JCBD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1N(C)C)C(=O)C(=O)O 1800760388 AJDBCKNXLGQNDU-BTTYYORXSA-N 461.475 0.456 5 20 JCBD O=C(NC[C@@H]1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])[C@H]1c1cccnc1)c1n[nH]cc1[N+](=O)[O-] 1810635494 FJLRAYREWJXTGP-NHYWBVRUSA-N 455.391 0.978 5 20 JCBD O=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)CC2)=NN1 1828863139 KUMBZXJBXNFHRO-INIZCTEOSA-N 458.475 0.252 5 20 JCBD O=C(O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cccc([N+](=O)[O-])c4)CCO3)C2)ncn1 1829621104 GRMKJFCQZBGGQV-JOCHJYFZSA-N 485.453 0.396 5 20 JCBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCC4)CCO3)C2)c1 1829875710 XXDBECOCDVUZDN-HSZRJFAPSA-N 475.546 0.827 5 20 JCBD COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCC4)CCO3)C2)ccc1[N+](=O)[O-] 1829880237 UYILMYRWRUAUJU-QFIPXVFZSA-N 462.503 0.769 5 20 JCBD Cc1cc(CCCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(O)O)CCO3)c([N+](=O)[O-])cc1F 1830388820 RWQVZAVLZROSRJ-OAQYLSRUSA-N 469.466 0.132 5 20 JCBD O=C(Cc1cnccn1)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1830966130 HCKXPIUOFAMMAO-QFIPXVFZSA-N 485.453 0.426 5 20 JCBD COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2CCOC2=O)CCO3)c([N+](=O)[O-])c1 1831019964 JSBJLEUYYJRGNW-QFIPXVFZSA-N 492.485 0.055 5 20 JCBD COc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)cc1 1832795724 DJWROVDZOHRNDI-QHCPKHFHSA-N 487.513 0.889 5 20 JCBD Cc1cc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CCO3)no1 1832801223 VSCHWJLOWJNGTA-ZOXCZHJPSA-N 460.447 0.258 5 20 JCBD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccc([N+](=O)[O-])c4=O)C3)C2)s1 1833425783 OWJSJHHGMIAIOK-OAQYLSRUSA-N 492.510 0.597 5 20 JCBD Cc1nc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)s1 1834073099 ZYYFQZRKSIDYGB-LJQANCHMSA-N 464.504 0.635 5 20 JCBD COC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnn(C)c4)CCO3)C2)c([N+](=O)[O-])c1 1834174168 UBMOMYPSLFKNSZ-JOCHJYFZSA-N 487.469 0.499 5 20 JCBD N=C(N)SCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ccccc3[N+](=O)[O-])C2)C1 1835516853 XJNTYQYZPXICON-LJQANCHMSA-N 483.572 0.770 5 20 JCBD Nc1n[nH]c(CCC(=O)N2CCC(OC3CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])CC3)CC2)n1 1838368033 DQXFVGPSCZGKEM-UHFFFAOYSA-N 461.483 0.263 5 20 JCBD Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc([N+](=O)[O-])cc4c2OCC4)CCO3)o1 1838525413 ZIZWXJAPXDVCOS-JOCHJYFZSA-N 487.469 0.534 5 20 JCBD CN(C)c1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)c1 1838543476 HOCHDNBRRDZCJW-NRFANRHFSA-N 494.574 0.748 5 20 JCBD 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