smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features OC[C@@H]1O[C@H](n2cnc3c(NCc4c5ccccc5cc5ccccc45)ncnc32)[C@@H](O)[C@@H]1O 26654476 PIRKENBEBYLCJH-RBODFLQRSA-N 457.490 2.356 5 1 JEBF O=[N+]([O-])c1ccccc1CN1CCN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 40556656 DEPJDEKLNIKWQX-JOCHJYFZSA-N 458.469 2.170 5 1 JEBF O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CNCCCc4ccccc4)c3)cc21 13445035 DDKYVNAMEHPVHA-UHFFFAOYSA-N 477.477 2.196 5 1 JEBF COc1cc(OCC(=O)O)c2c(=O)c3cc(N)c(N4CCN(c5ccccn5)CC4)cc3n(C)c2c1 40423046 QUKGYEMMEUBTQH-UHFFFAOYSA-N 489.532 2.468 5 1 JEBF CCC(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C3)c1 13478884 MSOSVQDRUDCRMR-YKSBVNFPSA-N 479.493 2.135 5 3 JEBF C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)NC1C2CC3CC(C2)CC1C3 61943393 NGWLUMJRYXLLMK-MZTPLVFXSA-N 450.513 2.485 5 3 JEBF COC(=O)N1c2c(OC)cccc2[C@@]23CC[N+]4([O-])CCC[C@]5(CC[C@]12[C@](O)(C(=O)OC)C5)[C@@H]34 147249734 QNZKANKGYXTCNT-CEOLQGLNSA-N 458.511 2.227 5 1 JEBF CC(C)Oc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCC(=O)O)c3)CC2)cc1 1772644015 UNRRDVLXLIOPJB-UHFFFAOYSA-N 478.527 2.389 5 1 JEBF O=C(O)CN(CCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1nsc2nccn12 36184644 NCXBWLQKBKSTHD-UHFFFAOYSA-N 482.544 2.129 5 1 JEBF CCOCCN(CCOCC)C(=O)c1cnc(NCCNC(C)=O)nc1-c1ccc([N+](=O)[O-])cc1 82149089 WJACUXRXHWMFGK-UHFFFAOYSA-N 488.545 2.115 5 1 JEBF CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(CCCO)c4)cc3c(=O)c2c1 72107757 ZWFPZMFOHIGOCD-UHFFFAOYSA-N 453.524 2.212 5 1 JEBF O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4053236 FXRLQBVNCFQLIE-JJXUHFIVSA-N 466.450 2.200 5 1 JEBF CC(=O)N[C@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OC(C)=O 100054259 BESTZLZNOJJNEZ-VRBBIHERSA-N 472.450 2.249 5 1 JEBF CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)C[C@@H]3C)c(F)c2)C(=O)O1 28525008 QJUHJINNIKCAGA-KSSFIOAISA-N 475.477 2.499 5 1 JEBF O=C(O)c1cc2c(c3nc4c(=O)cccc-4[nH]c13)[C@H]1Cc3[nH]c4cccc(=O)c-4nc3[C@@H](O)[C@@H]1O2 100302705 LQBAHWSHMAETON-QMXHIWORSA-N 468.425 2.049 5 1 JEBF in-vitro COc1cc2c(oc(=O)c3cc(C=O)cc(OC)c32)c2c([C@@H]3O[C@H]([C@H](C)O)[C@H](O)[C@H]3O)ccc(O)c12 2356740362 BOUCFFFSBNQUJR-HKNOINPFSA-N 496.468 2.177 5 1 JEBF O=C1NCCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081158 MENUZODLJCXCBX-WBVHZDCISA-N 471.539 2.355 5 1 JEBF O=C1Nc2ccccc2-n2nnnc2[C@@H]1N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 95569244 WTASHIPYQHODSQ-KRWDZBQOSA-N 474.403 2.405 5 3 JEBF COc1ccc2c(c1)cc([C@H]1SCC(=O)N1NC(=O)c1ccc([N+](=O)[O-])cc1)c1nnnn12 1772577179 XUCYPROCLMGRGF-HXUWFJFHSA-N 465.451 2.113 5 1 JEBF COC(=O)[C@]1(O)Cn2c3ccccc3c3c4c(c5c6ccccc6n(c5c32)C[C@H]1O)C(=O)NC4=O 43011572 DMECWJSRBVZTGX-DXPJPUQTSA-N 469.453 2.065 5 1 JEBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1 587263717 ZNJRMGWYZZNAKI-UHFFFAOYSA-N 453.499 2.151 5 1 JEBF CN(C)CCOCCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085431 NFXQTCXJGQIBID-GOSISDBHSA-N 462.528 2.444 5 1 JEBF O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(C2(O)CCCC2)[C@H](O)[C@@H]1O 2356349795 ODWCHHBKANCYSS-FCBCXNLDSA-N 463.486 2.494 5 1 JEBF O=C(O)c1cc2c(c3nc4c(=O)cccc-4[nH]c13)[C@H]1Cc3[nH]c4cccc(=O)c-4nc3[C@@H](O)[C@H]1O2 100302698 LQBAHWSHMAETON-YEYDJZJBSA-N 468.425 2.049 5 1 JEBF in-vitro CCN(CC)S(=O)(=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 586920860 SLMQWRGBBAGWER-UHFFFAOYSA-N 452.514 2.476 5 1 JEBF O=C1NCCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081277 YXTWKWRLSJFFOE-ZBFHGGJFSA-N 471.539 2.355 5 1 JEBF O=[N+]([O-])c1ccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c2c1 586962385 WWSHLGLJLPXPBG-UHFFFAOYSA-N 455.452 2.413 5 1 JEBF CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCO 4152181 PZSXMDMZKZEVNY-TZIWHRDSSA-N 459.455 2.211 5 1 JEBF COc1ccc(CNc2nc(N(CCO)CCO)nc3c2ncn3Cc2cccc([N+](=O)[O-])c2)cc1 26641082 WJIJXRPYHPGZKU-UHFFFAOYSA-N 493.524 2.195 5 1 JEBF COC(=O)c1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2cc(F)ccc2[N+](=O)[O-])cc1 29245767 VRVPIMQCQOEEEQ-UHFFFAOYSA-N 470.461 2.408 5 1 JEBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)[C@H](O)[C@@H](O)[C@H]1O 2356737007 JHESBSYBSVWLBK-XEVZZGLKSA-N 471.469 2.313 5 1 JEBF CCOCCN(CCOCC)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 82148982 GQPWPWDTGYVWAD-UHFFFAOYSA-N 473.530 2.404 5 1 JEBF COc1ccccc1NC(=S)NC(=O)c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O 103286692 VWGOAEQJZWOZAG-UHFFFAOYSA-N 464.503 2.383 5 1 JEBF NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NCCCN2CCCC2=O)c([N+](=O)[O-])c1 15937494 HLUCBGGFPKZUTP-LJQANCHMSA-N 453.499 2.366 5 3 JEBF O=C1C(=O)N(CCn2cc(COc3cc(=O)oc4ccccc34)nn2)c2ccc([N+](=O)[O-])cc21 1772572067 KKVUYJDANPWKLQ-UHFFFAOYSA-N 461.390 2.101 5 1 JEBF O=C(O)Cn1ncc2c(Nc3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)ncnc21 96914188 WQKBYTOXUYNRIJ-UHFFFAOYSA-N 469.439 2.364 5 1 JEBF COC(=O)N1c2c(ccc(OC)c2OC)[C@]23CC[N@+]4([O-])CCC[C@@]5(CC[C@@]12[C@@](O)(C(=O)OC)C5)[C@@H]34 2356734082 PQKJOICJGGMUMG-IRIFIYGZSA-N 488.537 2.236 5 1 JEBF CO[C@@H]1[C@@H](CO)O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4)[C@H](O)[C@H]1O 169364233 LHNBTNFXIRAJNQ-NLEPBSOZSA-N 487.512 2.299 5 1 JEBF CN1CCN(CCCNC(=O)[C@H]2CCCN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 82085277 NUZLNXQGTCXCPA-HXUWFJFHSA-N 486.598 2.077 5 1 JEBF C[C@H]1COC2(CCN(C3=NC(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4S3(=O)=O)CC2)O1 299870697 WSULMZAZGPQUFL-VIFPVBQESA-N 463.390 2.125 5 1 JEBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c([N+](=O)[O-])cc1OC 4051206 AGYUCVDDFFJQRX-HNKPZJSLSA-N 482.493 2.441 5 1 JEBF O=C(O)CN1CN(Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2cc(Br)ccc21 66252562 ONDXPLMFMFJMHR-UHFFFAOYSA-N 456.274 2.410 5 1 JEBF COC(=O)[C@H]1C[C@@]2(N3CCCC3)c3ccccc3N[C@H]2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 203463763 PUJUOLGTYINDFN-BAGYTPMASA-N 472.523 2.274 5 3 JEBF O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC2(CC1)C(=O)NCN2c1ccccc1 13864314 FRJDODAXILSQRN-VOTSOKGWSA-N 450.451 2.292 5 1 JEBF Cc1nc(C)c(C(=O)[C@H]2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 2371109 ZXTNQCYQALWFFK-OALUTQOASA-N 486.550 2.342 5 1 JEBF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCn4cc(C(=O)O)nc4C3)cc21 40872459 SAQISICPZYKVIZ-UHFFFAOYSA-N 455.427 2.278 5 1 JEBF COc1cc(C)cc2c(=O)oc3c4cccc(O)c4c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3c12 31418134 FBBYGEDAGNDLMC-XNDKCNAWSA-N 468.458 2.328 5 1 JEBF in-vitro COC(=O)C1=C(C)NC(C)=C(C(=O)OCCNC(=O)C(F)(F)F)[C@@H]1c1cccc([N+](=O)[O-])c1 49088182 VHQGCYKOTXYZFM-MRXNPFEDSA-N 471.388 2.224 5 1 JEBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](n1cnc2c(N)ncnc21)C(Cl)(Cl)Cl 1857548942 AELPUUJMENYYEY-LBPRGKRZSA-N 478.684 2.117 5 1 JEBF CC(=O)NCCNc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2cccc([N+](=O)[O-])c2)n1 82135507 ITJBSQWOEBMQQJ-UHFFFAOYSA-N 478.465 2.259 5 1 JEBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)[C@H](O)[C@H](O)[C@@H]1O 2356737006 JHESBSYBSVWLBK-QZGOEUSTSA-N 471.469 2.313 5 1 JEBF O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 28653111 NYAXDNQGKBLVPR-KRWDZBQOSA-N 495.471 2.313 5 1 JEBF O=C(NCCCNCCCNc1n[n+]([O-])c2ccccc2[n+]1[O-])c1cccc2cc3ccccc3nc12 102300839 NLUGECSVDGKXNQ-UHFFFAOYSA-N 497.559 2.415 5 1 JEBF CO[C@H]1[C@@H](CO)O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4)[C@H](O)[C@H]1O 169364232 LHNBTNFXIRAJNQ-DSBLSYSTSA-N 487.512 2.299 5 1 JEBF O=C1C(=O)N(CCCn2cc(COc3cc(=O)oc4ccccc34)nn2)c2ccc([N+](=O)[O-])cc21 1772634449 BTFXHCHTSSNESC-UHFFFAOYSA-N 475.417 2.491 5 1 JEBF CCS(=O)(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2c1 586942547 WZZQACWATSKNTC-UHFFFAOYSA-N 470.554 2.465 5 1 JEBF COc1ccc(NC(=S)NC[C@@]23C=C[C@@H](O2)[C@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]23)c([N+](=O)[O-])c1 1857594161 YTCAYGCKIOUYRX-FZONSQQESA-N 480.502 2.403 5 1 JEBF O=C(NC(=S)Nc1cccc(O)c1)c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O 103284858 ONKBJTOHLWFKHC-UHFFFAOYSA-N 450.476 2.080 5 1 JEBF O=C(O)c1cc2[nH]c([C@@H](O)[C@H](O)C(=O)O)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586885150 BLGRXDQUUQEGQG-SFTDATJTSA-N 476.397 2.324 5 1 JEBF O=C(c1nn(-c2ccccc2)c2c1CS(=O)(=O)c1ccc([N+](=O)[O-])cc1-2)N1CCOCC1 112931942 DOLDQDCWIYKHMX-UHFFFAOYSA-N 454.464 2.207 5 1 JEBF COC(=O)C1=C(C)N2[C@H](C(=O)O)CS[C@@]2(C)[C@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 31872582 OUEDJYLVGKMFFG-PEMDQYIBSA-N 450.469 2.146 5 1 JEBF C[N+](C)(CCCCCNC(=O)c1ccc(Cl)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N 73198224 STHCZHMKMWALJE-UHFFFAOYSA-O 483.424 2.354 5 1 JEBF N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 66102897 DMKKTRKFRWHLBY-FCHUYYIVSA-N 499.545 2.445 5 1 JEBF CO[C@H]1[C@@H](CO)O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)[C@H](O)[C@H]1O 27518952 RCARSYAJRLTMFI-DSBLSYSTSA-N 487.512 2.299 5 1 JEBF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]1C5 36221242 PMHKQZZWOMGKBX-AWCPOILNSA-N 475.501 2.491 5 1 JEBF COc1cc2oc3c(S(=O)(=O)N4CC[C@H](N(C)C)C4)c(OC)cc(OC)c3c(=O)c2cc1OC 49114471 HWHMBDSBEBKCRS-ZDUSSCGKSA-N 492.550 2.305 5 1 JEBF O=C(O[C@H]1[C@H](Cc2ccccc2)NS(=O)(=O)[C@H]2C[C@@H]3C=C[C@]12O3)c1ccc([N+](=O)[O-])cc1 36383103 ZZMUNSMKWCCBNO-SPNOPHAYSA-N 456.476 2.131 5 3 JEBF COC(=O)c1ccc(CN(CCc2c(N)nc(N)[nH]c2=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 29240875 RPEXSOBHBFJSSX-UHFFFAOYSA-N 474.424 2.157 5 1 JEBF COC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1O 28712805 NXOIYZRRBWZQAP-SGTLLEGYSA-N 481.465 2.126 5 1 JEBF NCC1CN(C(=O)CCc2ccc3c(=O)c4sc5c(=O)c6ccccc6c(=O)c5c4c(=O)c3c2)C1 1857539483 ZOXYQODJNDJJLZ-UHFFFAOYSA-N 484.533 2.027 5 1 JEBF O=C(c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1)N1CCN(CCO)CC1 587269359 LWWCBECNAPMJSS-UHFFFAOYSA-N 464.526 2.488 5 1 JEBF COc1ccccc1N1CCN(C(=S)SC[C@@H](O)Cn2cc([N+](=O)[O-])nc2C)CC1 1772581358 LCEFLVRKCYGZSS-HNNXBMFYSA-N 451.574 2.310 5 1 JEBF O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4053235 FXRLQBVNCFQLIE-MFMILTCTSA-N 466.450 2.200 5 1 JEBF O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NC1CCN(Cc2ccccc2)CC1 263591993 FDSHLFKAYISYGS-UHFFFAOYSA-N 452.471 2.156 5 3 JEBF COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c([N+](=O)[O-])cc1OC 767719 FXNDAUVWCNOUEN-QGCDCVKKSA-N 482.493 2.489 5 1 JEBF COC(=O)N1c2c(ccc(OC)c2OC)[C@]23CC[N@+]4([O-])CCC[C@@]5(CC[C@@]12[C@@](O)(C(=O)OC)C5)[C@H]34 2356734081 PQKJOICJGGMUMG-FFAWRZILSA-N 488.537 2.236 5 1 JEBF O=c1oc2ccccc2c2nn(CN3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)cc12 1857620809 LMEXCLOAJVZZCS-UHFFFAOYSA-N 469.479 2.015 5 1 JEBF NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NCCCN2CCCC2=O)c([N+](=O)[O-])c1 15937496 HLUCBGGFPKZUTP-IBGZPJMESA-N 453.499 2.366 5 3 JEBF NC(=O)C1CCN(C2CCN(C(=O)c3cccn4c(=O)c5cc(Cl)ccc5nc34)CC2)CC1 2957391 WKBLBFGJMMEKKL-UHFFFAOYSA-N 467.957 2.303 5 1 JEBF CCOCCN(CCOCC)C(=O)c1cnc(NCCNC(C)=O)nc1-c1cccc([N+](=O)[O-])c1 82135476 SFZJPGARSJPDMP-UHFFFAOYSA-N 488.545 2.115 5 1 JEBF CN(C)CCn1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2cnc3cc4c(cc3c21)OCO4 42922545 KPZLOZDSPNZXBS-UHFFFAOYSA-N 461.522 2.493 5 1 JEBF CCOC(=O)CN(C)S(=O)(=O)c1c(OC)cc(OC)c2c(=O)c3cc(OC)c(OC)cc3oc12 49073181 WUKCUFBRVBBPQA-UHFFFAOYSA-N 495.506 2.164 5 1 JEBF C[N+](C)(CCCCNC(=O)CCc1ccc(Cl)cc1)CCNC(=O)c1nc(Cl)c(N)nc1N 73199106 NMPRDDSSDZBECZ-UHFFFAOYSA-O 497.451 2.283 5 1 JEBF COc1cc(C)cc2c(=O)oc3c4cccc(O)c4c(O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@@H]4O)cc3c12 238745188 FBBYGEDAGNDLMC-NOJJNULZSA-N 468.458 2.328 5 1 JEBF CN(C)[C@@H](c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1)c1nnnn1C(C)(C)C 95590918 DGPIPWKBXVQPMB-WMZOPIPTSA-N 456.507 2.162 5 1 JEBF COC(=O)c1cc(SC[C@@H](NC(C)=O)C(=O)OC)cc2nc3c(C(=O)O)cccc3nc12 169311193 BQDKNOQTQLIJIX-MRXNPFEDSA-N 457.464 2.038 5 1 JEBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1[N+](=O)[O-] 586941219 GPKJEIYDZCUDAN-UHFFFAOYSA-N 456.527 2.075 5 1 JEBF Cc1nc2c3ccccc3n3c(CCCC(=O)N4CCN(c5ccccn5)CC4)nnc3n2n1 9860207 UCXRPQPVDRYWHV-UHFFFAOYSA-N 455.526 2.300 5 1 JEBF CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3ccc(CN4CCCCC4)c([N+](=O)[O-])c3)[C@H]12 45191771 LLHPOBQALMUXFX-NRSPTQNISA-N 492.598 2.238 5 1 JEBF CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)c(F)c2)C(=O)O1 28861898 FRTWEPAXMSVMIK-HNNXBMFYSA-N 491.501 2.219 5 1 JEBF Cc1nc(C)c(C(=O)[C@H]2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 1836301 ZXTNQCYQALWFFK-RBUKOAKNSA-N 486.550 2.342 5 1 JEBF C[C@@]12O[C@@H]([C@H](O)[C@H](O)[C@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 2356379799 ICRXMINBMHONPG-JXPBMYTPSA-N 469.453 2.084 5 1 JEBF CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C[C@@H](F)CO)c4)cc3c(=O)c2c1 72107641 WVIILBJWTUOREO-QGZVFWFLSA-N 471.514 2.160 5 1 JEBF C[C@@H]1COc2c(N3CCN(C(=O)c4ccco4)CC3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 29128269 YTJXKFBUHVPXQS-LLVKDONJSA-N 486.412 2.256 5 1 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O=C(N[C@H](COCc1ccccc1)C(=O)N1CCNCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086059 BRAQSYOZMUYIKM-LJQANCHMSA-N 495.561 2.465 5 1 JEBF CCOC(=O)N1CCC(NC(=O)c2ccc(N3CCC4(CC3)OCCO4)c([N+](=O)[O-])c2)CC1 13544481 PABFGNXWWPBSSA-UHFFFAOYSA-N 462.503 2.289 5 3 JEBF O=C(NCCOCCNc1n[n+]([O-])c2ccccc2[n+]1[O-])c1cccc2cc3ccccc3nc12 100928929 DNSLKKBTERLNQP-UHFFFAOYSA-N 470.489 2.062 5 1 JEBF O=C(c1ccn(Cn2cnc([N+](=O)[O-])n2)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657432 WRPQMAXWYQLOGC-UHFFFAOYSA-N 478.375 2.232 5 1 JEBF COc1ccc(CNc2nc(N(CCO)CCO)nc3c2ncn3Cc2ccc([N+](=O)[O-])cc2)cc1 26653106 NJHWFRUWRHLEIV-UHFFFAOYSA-N 493.524 2.195 5 1 JEBF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@H](CC(=O)OC)c2cc3cc([N+](=O)[O-])ccc3nc2-1 29395562 GPUXSZXSMZAPKH-HXOBKFHXSA-N 465.418 2.092 5 1 JEBF O=C1NCCCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085095 PNDBIAVFRZYMSP-RDJZCZTQSA-N 457.512 2.108 5 1 JEBF Nc1ccc(S(=O)(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2[N+](=O)[O-])cc1 98083995 KHHSQQCOJFWGQV-UHFFFAOYSA-N 451.464 2.355 5 1 JEBF COC(=O)C1=C[C@]23CCC[N+]4([O-])CC[C@@]5(c6cc(OC)ccc6N(C(=O)OC)[C@@]15CC2)[C@]34O 238763305 LNCITCPIXQZCNJ-UOKHFBGGSA-N 456.495 2.352 5 1 JEBF O=C(OCC(Cl)(Cl)Cl)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 377803822 AVCIUDPEHFCLDN-UHFFFAOYSA-N 488.648 2.120 5 1 JEBF COc1ccc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 586957350 ZIWMUKFAQQEHJB-UHFFFAOYSA-N 450.448 2.231 5 1 JEBF Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)c(=O)n(-c2ccccc2)n1C 201488079 XHPNLXTUXKCNQG-KRWDZBQOSA-N 499.549 2.432 5 3 JEBF CN(Cc1cn(Cc2ccccc2[N+](=O)[O-])nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 169322798 ZOKWIOGVEKRTNY-QFIPXVFZSA-N 484.467 2.124 5 1 JEBF Cc1ncc(Cn2nnc(COc3ccc([N+](=O)[O-])cc3)c2I)c(N)n1 73197760 YPAJCCZTZCVJJM-UHFFFAOYSA-N 467.227 2.099 5 1 JEBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c(Cl)c(Br)cnc2[nH]1 587272096 JFOIVIRNRSEARZ-RYUDHWBXSA-N 456.640 2.315 5 1 JEBF O=C(N[C@@H]1CCCCNC1=O)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081155 MENUZODLJCXCBX-DOTOQJQBSA-N 471.539 2.355 5 1 JEBF COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCOCCO)cc1 2480930 XUDRFFVLAPEGES-UHFFFAOYSA-N 471.422 2.393 5 1 JEBF COC(=O)c1ccc(CN(CCc2c(N)nc(N)[nH]c2=O)c2cc(F)ccc2[N+](=O)[O-])cc1 29239617 PIPCYCQDPKZNFI-UHFFFAOYSA-N 456.434 2.018 5 1 JEBF O=c1oc2ccccc2c2nn(CN3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)cc12 1857607721 KVWLBPLTPPEIPO-UHFFFAOYSA-N 469.479 2.015 5 1 JEBF O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(C2(O)CCCC2)[C@H](O)[C@H]1O 2356349796 ODWCHHBKANCYSS-JTKRFKOTSA-N 463.486 2.494 5 1 JEBF O=C(O)c1cc2[nH]c([C@H](O)[C@H](O)C(=O)O)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586885147 BLGRXDQUUQEGQG-RTWAWAEBSA-N 476.397 2.324 5 1 JEBF Cc1nc(C)c(C(=O)[C@@H]2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 1836302 ZXTNQCYQALWFFK-RTBURBONSA-N 486.550 2.342 5 1 JEBF COC(=O)C1CCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCC(C(=O)OC)CC2)CC1 72107841 SVWKLJGPUSDFSR-UHFFFAOYSA-N 457.487 2.317 5 1 JEBF CO[C@@H]1[C@H](CO)O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)[C@@H](O)[C@@H]1O 253991785 RCARSYAJRLTMFI-AAZWIUNYSA-N 487.512 2.299 5 1 JEBF O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cccc3cnccc23)CC1 1857545574 CGOZWYUTJWUKQO-UHFFFAOYSA-N 471.451 2.198 5 1 JEBF COC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 5957288 YFNNBPDZSMMUIC-IAGOWNOFSA-N 495.529 2.420 5 1 JEBF CN(C)CCOCCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085542 LUAKWPQYHNULRO-GOSISDBHSA-N 462.528 2.444 5 1 JEBF CC[C@@]1(c2cc(O)c3oc4cc(O)cc(O)c4c(=O)c3c2O)C(=O)OCC2=C1CCOC2=O 205465595 IRJGIGIJLVHSJN-HSZRJFAPSA-N 454.387 2.217 5 1 JEBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587265111 CJSRGICYTRIXJH-DYZYQPBXSA-N 464.460 2.164 5 1 JEBF O=C(O)c1cc2[nH]c([C@H](O)[C@@H](O)CO)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586888067 HDZLRWVNDSCKNG-PGRDOPGGSA-N 462.414 2.232 5 1 JEBF COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCOCCO)c([N+](=O)[O-])cc1OC 4054903 VCGIMLQEZSDJNG-FPOVZHCZSA-N 493.900 2.482 5 1 JEBF COc1cc2c(=O)n(CCN3CCNCC3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 28520949 OOEHOPSGXVHFSJ-UHFFFAOYSA-N 462.506 2.354 5 1 JEBF CN(Cc1cn(Cc2cccc([N+](=O)[O-])c2)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 169322743 BMCMNGPYELVJHQ-JOCHJYFZSA-N 484.467 2.124 5 1 JEBF COC(=O)c1cc2[nH]c(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)nc2cc1OC 586941854 XLHPHFSEECCDJS-UHFFFAOYSA-N 466.497 2.467 5 1 JEBF COCCNc1ccc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1[N+](=O)[O-] 587265251 NGFGJBPJOJHXHN-UHFFFAOYSA-N 461.500 2.217 5 1 JEBF O=C(O)c1cn(-c2ccc(F)cc2)c2nc(N3CCC4(CC3)OCCO4)c([N+](=O)[O-])cc2c1=O 28868244 MHEKKPHQLXFYBK-UHFFFAOYSA-N 470.413 2.475 5 1 JEBF O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@]2(CCC[C@@H]([N+](=O)[O-])C2)N1 963703779 NRDHGEJPJAWTFE-OTXOCUIESA-N 453.495 2.133 5 1 JEBF COc1ccccc1N1CCN(C(=S)SC[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)CC1 1772608351 KDPKZUICLDPWQF-HNNXBMFYSA-N 451.574 2.310 5 1 JEBF COC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 473112161 DHPYOIMSOYTVIE-NRFANRHFSA-N 473.485 2.017 5 1 JEBF CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC 13154512 FIDCXUJDBRDPRI-PRWBYUBPSA-N 495.513 2.421 5 1 JEBF COc1cc2c(=O)n(CCN(C)CCN(C)C)c3c4cc5c(cc4nnc3c2cc1OC)OCO5 29044524 GDPZELPUJXYIEI-UHFFFAOYSA-N 479.537 2.337 5 1 JEBF COC(=O)N1c2c(ccc(OC)c2OC)[C@]23CC[N@+]4([O-])CCC[C@@]5(CC[C@@]12[C@](O)(C(=O)OC)C5)[C@H]34 2356734080 PQKJOICJGGMUMG-AWBWAKQMSA-N 488.537 2.236 5 1 JEBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](Nc1nccc(O)n1)C(Cl)(Cl)Cl 1857600397 MUDZQMKPALAZSM-JTQLQIEISA-N 454.658 2.130 5 1 JEBF CCN(CC)C(=O)[C@H]1CCCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)C1 28868198 FKADXZKEMSQUBI-ZDUSSCGKSA-N 457.487 2.423 5 1 JEBF O=C(N[C@H](Cc1ccccc1)C(=O)N1CCNCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82080927 DWMJOYNBGLXKGX-GOSISDBHSA-N 465.535 2.491 5 1 JEBF O=C1CCC(=O)N1Oc1ccc(ON2C(=O)CCC2=O)n1-c1cccc(Br)c1[N+](=O)[O-] 587937424 RMYXSQGLINBAIU-UHFFFAOYSA-N 493.226 2.034 5 1 JEBF CO[C@H]1[C@@H](O)[C@@H](O)[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4)O[C@@H]1CO 71764992 LHNBTNFXIRAJNQ-UFAGQNNNSA-N 487.512 2.299 5 1 JEBF COCCOc1ccc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1[N+](=O)[O-] 587266450 XXFFNTPVUULBQU-UHFFFAOYSA-N 462.484 2.184 5 1 JEBF O=C(O)c1cc2[nH]c([C@@H](O)[C@H](O)CO)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586888062 HDZLRWVNDSCKNG-GCJKJVERSA-N 462.414 2.232 5 1 JEBF N[C@@H](CCc1nc2cc(I)cnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587269567 FIEZHZXQHHBWKE-LBPRGKRZSA-N 466.239 2.369 5 1 JEBF O=[N+]([O-])c1cc(-c2nnn(CCCN3CCN(Cc4ccccc4)CC3)n2)cc([N+](=O)[O-])c1 1772607643 ZYPQOGCOGKYPJS-UHFFFAOYSA-N 452.475 2.364 5 1 JEBF Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC[C@@H](O)CO)ccc3n(C)c12 26286588 FISCAQGZIKWAAY-INIZCTEOSA-N 450.539 2.212 5 1 JEBF O=C(O)c1cc2c(c3nc4c(=O)cccc-4[nH]c13)[C@H]1Cc3[nH]c4cccc(=O)c-4nc3[C@@H](O2)[C@H]1O 2356340885 AAOLRJNKZMYJQL-ZGJWANJESA-N 468.425 2.049 5 1 JEBF CCC[C@H](N)C(=O)N[C@@H]1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn4c5ccccc5oc2c34)C1 101735830 OHUUCUWAQAYZCW-OCCSQVGLSA-N 495.511 2.441 5 1 JEBF COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC[C@@H](O)CO)c([N+](=O)[O-])cc1OC 2480265 AWWGEWGCZMGUJV-CYBMUJFWSA-N 461.402 2.156 5 1 JEBF CC(C)OC(=O)N1CCC(Oc2cc(Nc3ccc(S(C)(=O)=O)nc3[N+](=O)[O-])ncn2)CC1 73278734 PVCFBCABNZROKN-UHFFFAOYSA-N 480.503 2.315 5 1 JEBF CN(Cc1ccccc1F)C(=O)CCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 95604955 VNHOFPFOWRPCMP-UHFFFAOYSA-N 451.476 2.306 5 1 JEBF CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3ccc(CN4CCCCC4)c([N+](=O)[O-])c3)[C@@H]12 45191781 LLHPOBQALMUXFX-HLAWJBBLSA-N 492.598 2.238 5 1 JEBF COC(=O)C1=C[C@@]23CCC[N+]4([O-])CC[C@@]5(c6cc(OC)ccc6N(C(=O)OC)[C@]15CC2)[C@]34O 38300323 LNCITCPIXQZCNJ-CXMKFZMTSA-N 456.495 2.352 5 1 JEBF CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C[C@H](F)CO)c4)cc3c(=O)c2c1 72107640 WVIILBJWTUOREO-KRWDZBQOSA-N 471.514 2.160 5 1 JEBF CN(Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 169322749 KNSNNBWRILJAIE-QFIPXVFZSA-N 484.467 2.124 5 1 JEBF CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(CCC3CCCCC3)CC2)cc1[N+](=O)[O-] 61944478 LGWGRZMOWLHHDN-UHFFFAOYSA-N 481.571 2.270 5 3 JEBF CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1-c1cc2cc([N+](=O)[O-])ccc2n1S(C)(=O)=O 169323476 BXBDKEWHASZHBK-UHFFFAOYSA-N 454.442 2.304 5 1 JEBF CN(C)[C@H](c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1)c1nnnn1C(C)(C)C 95590917 DGPIPWKBXVQPMB-FUHWJXTLSA-N 456.507 2.162 5 1 JEBF CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc([N+](=O)[O-])cc4)nn3C)nc2n(CCC)c1=O 13559723 CZRZVSVOZFBPBD-UHFFFAOYSA-N 494.512 2.196 5 1 JEBF O=C([C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 1772657976 YEVRZSHLWHLVNF-CTNGQTDRSA-N 475.567 2.496 5 1 JEBF O=C(Nc1cccc([N+](=O)[O-])c1)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 72106503 PIYZDISLQHJNQD-WOJBJXKFSA-N 455.471 2.443 5 1 JEBF CCN(CC)c1ccc(-c2nn(C(=O)Cn3cnc([N+](=O)[O-])n3)c(=O)c3ccccc23)c(O)c1 587667659 ORNOXXOZOREWFL-UHFFFAOYSA-N 463.454 2.455 5 1 JEBF CCOC(=O)c1csc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)n1 201440394 JTESXAVXHUJQPL-GFCCVEGCSA-N 468.513 2.267 5 3 JEBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c([N+](=O)[O-])cc1OC 767141 AGYUCVDDFFJQRX-VZPUWSDOSA-N 482.493 2.441 5 1 JEBF C[N+]1(C)CCO[C@@](O)(c2ccc(CCCc3ccc([C@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1 27858215 QYPMLGCCGGOFEM-MKPDMIMOSA-N 456.627 2.365 5 1 JEBF CN(Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 169322746 KNSNNBWRILJAIE-JOCHJYFZSA-N 484.467 2.124 5 1 JEBF O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4205794 XFIZMLQPJPWMLX-AZUAARDMSA-N 477.857 2.194 5 1 JEBF O=C(NC(=S)Nc1ccc(O)cc1)c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O 103286691 KOFVBNOABCEUAC-UHFFFAOYSA-N 450.476 2.080 5 1 JEBF OC[C@@H]1O[C@H](n2cnc3c(NCc4c5ccccc5cc5ccccc45)ncnc32)[C@H](O)[C@@H]1O 36273022 PIRKENBEBYLCJH-XSARVHFWSA-N 457.490 2.356 5 1 JEBF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@@H](OCCOC)c2cc3c([N+](=O)[O-])cccc3nc2-1 27204003 VHDUYMCEAPFZPC-GMAHTHKFSA-N 467.434 2.149 5 1 JEBF O=C(O)c1cc2c(c3nc4c(=O)cccc-4[nH]c13)[C@@H]1Cc3[nH]c4cccc(=O)c-4nc3[C@@H](O)[C@@H]1O2 100302709 LQBAHWSHMAETON-MLIBEQFHSA-N 468.425 2.049 5 1 JEBF in-vitro CCOC(=O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2cc(C(F)(F)F)ccc2c1=O 299819740 FKIWNNXAEOSNRA-GFCCVEGCSA-N 454.361 2.363 5 1 JEBF Cc1ccc(-c2cn(Cc3ccc(F)c([N+](=O)[O-])c3)nn2)cc1C(=O)NCCN1CCOCC1 1857589847 BVMUACILGIXFDU-UHFFFAOYSA-N 468.489 2.411 5 1 JEBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1[N+](=O)[O-] 586941126 OAVQMYFNHACEKC-UHFFFAOYSA-N 476.584 2.423 5 1 JEBF CCOC(=O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2cc(C(F)(F)F)ccc2c1=O 299819744 FKIWNNXAEOSNRA-LBPRGKRZSA-N 454.361 2.363 5 1 JEBF O=C(O[C@H]1[C@H](Cc2ccccc2)NS(=O)(=O)[C@H]2C[C@H]3C=C[C@]12O3)c1ccc([N+](=O)[O-])cc1 103108723 ZZMUNSMKWCCBNO-QXQWVWGKSA-N 456.476 2.131 5 1 JEBF COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCN2CCOCC2)c([N+](=O)[O-])cc1OC 4049098 MNZZRWFWAKQELM-FYYLOGMGSA-N 484.509 2.152 5 1 JEBF O=[N+]([O-])c1c(Br)ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 586941821 OQSVBNPVFDBNFZ-UHFFFAOYSA-N 469.273 2.483 5 1 JEBF COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NC[C@H](O)CO)cc1 2480935 QLSNXNMOAVHKAZ-ZDUSSCGKSA-N 473.438 2.026 5 1 JEBF O=C(O)c1cc2[nH]c([C@@H](O)[C@@H](O)CO)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586888050 HDZLRWVNDSCKNG-AVRDEDQJSA-N 462.414 2.232 5 1 JEBF O=C(c1ccn(Cn2cnc([N+](=O)[O-])n2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662001 WBIVBXQPZUPFEA-UHFFFAOYSA-N 460.385 2.093 5 1 JEBF CCNC(=O)NC(=O)c1nn(-c2cccc([N+](=O)[O-])c2)c(-c2ccccc2)c1C(=O)NC(=O)NCC 169312908 PHAZGGIKXJZNNN-UHFFFAOYSA-N 493.480 2.366 5 1 JEBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCNC(=O)C(F)(F)F)[C@H]1c1cccc([N+](=O)[O-])c1 169723508 XXYJLCMXEVTXAC-ZBFHGGJFSA-N 471.388 2.438 5 1 JEBF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCCN1CCN(C)CC1 82082417 AAGISKBHNBAPFT-HXUWFJFHSA-N 488.614 2.226 5 1 JEBF Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC[C@H](O)CO)ccc3n(C)c12 26286593 FISCAQGZIKWAAY-MRXNPFEDSA-N 450.539 2.212 5 1 JEBF CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCCN1CCN(C)CC1 82082261 AVHIEWCMBOOPHC-HXUWFJFHSA-N 488.614 2.226 5 1 JEBF O=C1C(Cl)=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc([N+](=O)[O-])cc1 64480307 NNXVYDRNXWMSTQ-UHFFFAOYSA-N 470.869 2.465 5 1 JEBF CC(=O)NCCNC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc([N+](=O)[O-])c1 82136000 VLJSXSZIYRPSPW-UHFFFAOYSA-N 478.465 2.259 5 1 JEBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](n1cnc2c(N)nc(F)nc21)C(Cl)(Cl)Cl 1857581974 HLAMRMSBHHUWAG-NSHDSACASA-N 496.674 2.256 5 1 JEBF COc1cc(C(=O)N[C@H](CCC(=O)O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 40950059 LKTUJNRKRYBTTH-OAHLLOKOSA-N 461.427 2.223 5 1 JEBF COc1cc(OC)c(NC(=O)CS(=O)(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 71405060 XENRDCXACHWLMK-UHFFFAOYSA-N 454.457 2.183 5 1 JEBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587265112 CJSRGICYTRIXJH-QGHHPUGFSA-N 464.460 2.164 5 1 JEBF CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C1 767132 QNMOGOQTMBTAHF-UPKQVVFYSA-N 466.450 2.152 5 1 JEBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1C(=O)OCCn1c([N+](=O)[O-])cnc1C 39108898 SXLFHFDXRSMRJL-UHFFFAOYSA-N 472.414 2.227 5 1 JEBF COC(=O)N1c2c(ccc(OC)c2OC)[C@@]23CC[N+]4([O-])CCC[C@]5(CC[C@]12[C@](O)(C(=O)OC)C5)[C@@H]34 238755693 PQKJOICJGGMUMG-PTHXEBDSSA-N 488.537 2.236 5 1 JEBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c([N+](=O)[O-])cc1OC 4051210 AGYUCVDDFFJQRX-YTJPUZGESA-N 482.493 2.441 5 1 JEBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCNC(=O)C(F)(F)F)[C@H]1c1cccc([N+](=O)[O-])c1 169723509 XXYJLCMXEVTXAC-HOCLYGCPSA-N 471.388 2.438 5 1 JEBF O=C(N[C@H]1CCCCNC1=O)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081157 MENUZODLJCXCBX-RDJZCZTQSA-N 471.539 2.355 5 1 JEBF CN1CCN(CCCNC(=O)[C@@H]2CCCN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 82085276 NUZLNXQGTCXCPA-FQEVSTJZSA-N 486.598 2.077 5 1 JEBF O=[N+]([O-])c1ccc(-c2csc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)n2)cc1 1857573989 FACNQJIIOHRJAB-UHFFFAOYSA-N 470.515 2.320 5 1 JEBF COc1ccccc1N1CCN(CCNC(=O)CCCc2cn(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 45285772 XSVUVQGMSYZTBA-UHFFFAOYSA-N 493.568 2.445 5 1 JEBF COc1cc(OC)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c(OC)c1 653861771 OLEFCHDGMJFFIW-UHFFFAOYSA-N 466.516 2.173 5 1 JEBF CCC[C@@H](N)C(=O)N[C@H]1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn4c5ccccc5oc2c34)C1 101735842 OHUUCUWAQAYZCW-GXTWGEPZSA-N 495.511 2.441 5 1 JEBF O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)C[C@@H](NS(=O)(=O)c1ccccc1F)CCO2 1857591979 PNKFVQFBTJDTSD-AWEZNQCLSA-N 467.475 2.459 5 1 JEBF C[C@@]12O[C@@H]([C@H](O)[C@@H](O)[C@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 2356379800 ICRXMINBMHONPG-KKAWSVTKSA-N 469.453 2.084 5 1 JEBF O=C(NC[C@@H](O)CO)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 2482052 DPCXOLSMOMSPGG-SNVBAGLBSA-N 461.814 2.382 5 1 JEBF COc1ccc(S(=O)(=O)N[C@H]2CCOC3(CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)C2)cc1 1857620254 OVVJDTHNZIJINU-HNNXBMFYSA-N 479.511 2.329 5 1 JEBF O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCNCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82080926 DWMJOYNBGLXKGX-SFHVURJKSA-N 465.535 2.491 5 1 JEBF O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)NC(=O)NC2=O)[C@H](c2cccc([N+](=O)[O-])c2)C1 1866517 PVYAONFERXGVAO-IRXDYDNUSA-N 452.379 2.086 5 1 JEBF O=C(N[C@@H](COCc1ccccc1)C(=O)N1CCNCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086058 BRAQSYOZMUYIKM-IBGZPJMESA-N 495.561 2.465 5 1 JEBF N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587045409 HJPDKOKOUBONTA-RNVRALISSA-N 489.602 2.483 5 1 JEBF CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@H]1CCCCNC1=O 82081939 GYHZPSBGZIWPPV-RDJZCZTQSA-N 459.528 2.258 5 1 JEBF C[C@@]12O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O 2356379798 ICRXMINBMHONPG-DRQOZCJDSA-N 469.453 2.084 5 1 JEBF Nc1nc2ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc4)cc3c2c(=O)[nH]1 2014081 GGYBAFVBOIILIZ-IBGZPJMESA-N 489.488 2.318 5 1 JEBF CN(Cc1cccc(F)c1)C(=O)CCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 95601883 YEEOTJSGDVLPME-UHFFFAOYSA-N 451.476 2.306 5 1 JEBF COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCC(N)CC2)c(=O)c2cc([N+](=O)[O-])ccc12 1772583888 RJTFJQBDICKHOW-UHFFFAOYSA-N 463.494 2.338 5 1 JEBF CN1CCN(CCCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 4048977 FNQOFGSBWSVLJQ-ISKFKSNPSA-N 495.536 2.169 5 1 JEBF Cc1ccc(N2CCN(C(=O)CCCNC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)CC2)cc1 95603180 XMABVZILFHIOGP-UHFFFAOYSA-N 488.566 2.166 5 1 JEBF CC1(C)O[C@@H]2[C@@H](CSc3nc[nH]n3)O[C@@H](OCc3noc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2O1 1772645846 QVKJXQSOTPDOCP-DNNBLBMLSA-N 476.471 2.317 5 1 JEBF COc1cccc(-c2nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@H]2N=C(N(C)C)NC(=N)N2)c1 1857546516 IVBGCYSHQISLKV-LJQANCHMSA-N 479.457 2.408 5 1 JEBF COc1cnc2ccc(=O)n(CCN3CCN(C(=S)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1 653804896 HNUXVKHUTXIYHU-UHFFFAOYSA-N 468.539 2.328 5 1 JEBF O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1[N+](=O)[O-] 1857585866 XTJYQGUVQMWMBO-VWGUVZQXSA-N 492.532 2.058 5 1 JEBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)[C@H](O)[C@H](O)[C@H]1O 141303716 JHESBSYBSVWLBK-TWPKBLSJSA-N 471.469 2.313 5 1 JEBF CN(C)S(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1 586924518 AYFTZHNRTADVOY-UHFFFAOYSA-N 458.905 2.445 5 1 JEBF COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCN(C)CC2)c(=O)c2cc([N+](=O)[O-])ccc12 1857628096 INJUSSRMORXZTG-UHFFFAOYSA-N 463.494 2.162 5 1 JEBF CCCCNC(=O)[C@@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1772648309 FOJVWQCGYVBHCV-ICSRJNTNSA-N 463.556 2.399 5 1 JEBF CN1CCN(CCCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 4048976 FNQOFGSBWSVLJQ-LADGPHEKSA-N 495.536 2.169 5 1 JEBF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4039098 PHECDNLZSBSYQV-GNSUPJDDSA-N 470.482 2.368 5 1 JEBF Cc1ccnc(S(=O)(=O)Cc2cc(=O)c(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)co2)n1 95571960 DFOSJWCBIGVTNN-UHFFFAOYSA-N 465.827 2.493 5 1 JEBF CO[C@H]1[C@H](CO)O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)[C@H](O)[C@@H]1O 34800319 RCARSYAJRLTMFI-HKEWGLJISA-N 487.512 2.299 5 1 JEBF COc1ccc(NC(=S)NC[C@@]23C=C[C@@H](O2)[C@H]2C(=O)N(c4ccccc4)C(=O)[C@H]23)c([N+](=O)[O-])c1 1857594160 YTCAYGCKIOUYRX-CROMWVBPSA-N 480.502 2.403 5 1 JEBF CN(Cc1cn(Cc2cccc([N+](=O)[O-])c2)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 169322744 BMCMNGPYELVJHQ-QFIPXVFZSA-N 484.467 2.124 5 1 JEBF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCN(C(=O)c4ccco4)CC3)nc21 28867428 GZECWJAXQAKBCU-UHFFFAOYSA-N 469.454 2.313 5 1 JEBF O=C(NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 72134842 OAVHRLBEQIPZNM-UHFFFAOYSA-N 454.443 2.213 5 1 JEBF 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DPIMTAXWTJTHEP-UHFFFAOYSA-N 486.279 2.456 5 1 JEBF CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)N2CCOCC2)cc1 4044925 NZTUCEKCBXXTIC-IRLDBZIGSA-N 468.466 2.340 5 1 JEBF COc1ccc2cc([C@H]3SCC(=O)N3NC(=O)c3ccc([N+](=O)[O-])cc3)c3nnnn3c2c1 1772630333 RHPQYRXYGXSGRZ-HXUWFJFHSA-N 465.451 2.113 5 1 JEBF COc1c(N2[C@@H](C)CN(C(=O)CC[N+](=O)[O-])C[C@@H]2C)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 72114932 HSPYRYKFRBZNTD-STQMWFEESA-N 490.488 2.275 5 1 JEBF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587230900 JQVHPVPMJJZVCR-UHFFFAOYSA-N 456.415 2.327 5 1 JEBF O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 767693 FXRLQBVNCFQLIE-DLVCFXQMSA-N 466.450 2.200 5 1 JEBF CC(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@@H](Nc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2SC1 40619897 FZGONIFAEWYWQG-CRAIPNDOSA-N 489.510 2.326 5 1 JEBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCNC(=O)C(F)(F)F)[C@@H]1c1cccc([N+](=O)[O-])c1 169723507 XXYJLCMXEVTXAC-GOEBONIOSA-N 471.388 2.438 5 1 JEBF O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4205781 XFIZMLQPJPWMLX-UYAOXDASSA-N 477.857 2.194 5 1 JEBF O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)C[C@H](NS(=O)(=O)c1ccccc1F)CCO2 1857591980 PNKFVQFBTJDTSD-CQSZACIVSA-N 467.475 2.459 5 1 JEBF O=C(O)c1cc2c(c3[nH]c4cccc(=O)c-4nc13)[C@H]1Cc3nc4c(=O)cccc-4[nH]c3[C@@H](O2)[C@H]1O 2356659683 ODUAQNULSMVXAH-ZGJWANJESA-N 468.425 2.049 5 1 JEBF CCOC(=O)[C@H](C)N1C(=O)COc2cc(F)c(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc21 103220797 GMSGVBIVVSWHED-JTQLQIEISA-N 457.370 2.212 5 1 JEBF CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)N2CCOCC2)cc1 769612 NZTUCEKCBXXTIC-UNMCSNQZSA-N 468.466 2.340 5 1 JEBF C/C=C\C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C3)c1 13478646 GPSHSQGYOSWDIT-JWSKQTQUSA-N 491.504 2.302 5 3 JEBF O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4205784 XFIZMLQPJPWMLX-QUCCMNQESA-N 477.857 2.194 5 1 JEBF O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCNCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82080844 JTELOWDDULTGNK-IBGZPJMESA-N 465.535 2.491 5 1 JEBF COc1ccnc(N[C@H](NC(=O)OCCn2c([N+](=O)[O-])cnc2C)C(Cl)(Cl)Cl)n1 1857552780 AMOBRELMZGDSQS-LLVKDONJSA-N 468.685 2.433 5 1 JEBF COc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2c(C)nnn2-c2ccccc2OC)CC1 84759193 KBRZPUHXKFJKKU-UHFFFAOYSA-N 452.471 2.464 5 1 JEBF CCOC(=O)c1c(C)n(Cc2ccccc2)c(=O)c2ccccc2c(=O)c2c(=O)ccc(=O)c1=2 31909600 GSRKHGYQMQRJBL-UHFFFAOYSA-N 455.466 2.340 5 1 JEBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCOCCO 4212739 JNKUEYCHDGCGMZ-PMACEKPBSA-N 451.476 2.463 5 1 JEBF O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)NC(=O)NC2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C1 1866515 PVYAONFERXGVAO-CALCHBBNSA-N 452.379 2.086 5 1 JEBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587267329 XCBVUWCTBQSDSV-QLJPJBMISA-N 464.460 2.164 5 1 JEBF CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCO 4152185 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2.149 5 1 JEBF O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc12 71316860 ZRPMIQKNWMYXJV-DNVCBOLYSA-N 467.394 2.464 5 1 JEBF CN1CCN(CCCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 4048974 FNQOFGSBWSVLJQ-UPVQGACJSA-N 495.536 2.169 5 1 JEBF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]1C5 100722779 PMHKQZZWOMGKBX-CTSLCBLHSA-N 475.501 2.491 5 1 JEBF O=[N+]([O-])c1cncc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c12 587138995 BUYKDZALWXIECN-UHFFFAOYSA-N 486.279 2.456 5 1 JEBF COC(=O)c1cc(Br)c2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 587271809 HLYYWNMHVGJBAS-GJZGRUSLSA-N 479.243 2.053 5 1 JEBF CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C1 4051202 QNMOGOQTMBTAHF-QPJICYPMSA-N 466.450 2.152 5 1 JEBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cccc(I)c2[nH]1 587273833 VNYGXPQBPOBATO-KBPBESRZSA-N 468.207 2.109 5 1 JEBF COc1cnc2ccc(=O)n(CCN3CCN(C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1 653793204 LDICWXCQDGHOFG-UHFFFAOYSA-N 452.471 2.163 5 1 JEBF COc1ccc2cc([C@@H]3SCC(=O)N3NC(=O)c3ccc([N+](=O)[O-])cc3)c3nnnn3c2c1 1772630332 RHPQYRXYGXSGRZ-FQEVSTJZSA-N 465.451 2.113 5 1 JEBF O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1O[C@H](CNCc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O 40403234 AICDDPWEJUXRBB-BDXSIMOUSA-N 456.282 2.119 5 1 JEBF CO[C@@H]1[C@H](CO)O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)[C@@H](O)[C@H]1O 253991786 RCARSYAJRLTMFI-ZVRQUBECSA-N 487.512 2.299 5 1 JEBF C[C@@H]1O[C@H](n2c3ccc(O)cc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)[C@H](O)[C@@H](O)[C@H]1O 2356323166 JBELEMSZEPUNJB-ZIWDPHOBSA-N 473.485 2.378 5 1 JEBF O=C(N[C@@H]1CCCCNC1=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081156 MENUZODLJCXCBX-NVXWUHKLSA-N 471.539 2.355 5 1 JEBF O=C(CCNS(=O)(=O)c1cccc2cnccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 28705118 VWSMSXFOOAWQLI-UHFFFAOYSA-N 469.523 2.160 5 1 JEBF O=[N+]([O-])c1ccc2c(ccn2-c2cc(Cl)c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)c1 84727965 VQRIXQDWGHOEAN-PKRADWSKSA-N 485.276 2.024 5 1 JEBF O=C(NCCc1cnc[nH]1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12 2356822744 YPXSAKDHZNHBOF-MXBPETCHSA-N 474.521 2.003 5 1 JEBF CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)CO[C@H]12 45245203 FHEGKGXBWDKGCC-IYWMVGAKSA-N 457.391 2.069 5 1 JEBF CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1[N+](=O)[O-] 95605625 NFXMLPDAEYUEIX-UHFFFAOYSA-N 471.535 2.435 5 1 JEBF CN(C)S(=O)(=O)c1cccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c12 586927870 XALYXTKDODRZIZ-UHFFFAOYSA-N 458.905 2.445 5 1 JEBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587118180 ONIUWQDQKMQJSB-UHFFFAOYSA-N 474.421 2.064 5 1 JEBF O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4054897 WRQPFYLEFXWGGL-QUCCMNQESA-N 477.857 2.194 5 1 JEBF COc1ccc(NC(=S)NC[C@@]23C=C[C@@H](O2)[C@@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]23)c([N+](=O)[O-])c1 1857594163 YTCAYGCKIOUYRX-ISJRUSPKSA-N 480.502 2.403 5 1 JEBF COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCOCCO)c([N+](=O)[O-])cc1OC 4054900 VCGIMLQEZSDJNG-TZIWHRDSSA-N 493.900 2.482 5 1 JEBF CC(C)[C@@H](NC(=O)C=CC=CC=CC=CC=CC=CC=CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O 2356684627 TWBJULYXAIUUEZ-WMZHIEFXSA-N 486.521 2.149 5 1 JEBF CSc1ccc(S(=O)(=O)NCc2nc3nc(Br)c[nH]c-3n2)cc1[N+](=O)[O-] 586940710 CZOMOEWTNMLUBL-UHFFFAOYSA-N 459.307 2.176 5 1 JEBF CC(C)[C@H](NC(=O)C=CC=CC=CC=CC=CC=CC=CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O 2356684625 TWBJULYXAIUUEZ-CVDCTZTESA-N 486.521 2.149 5 1 JEBF CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)N2CCOCC2)cc1 769614 NZTUCEKCBXXTIC-RBBKRZOGSA-N 468.466 2.340 5 1 JEBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c([N+](=O)[O-])cc1OC 4051208 AGYUCVDDFFJQRX-YROCYRMSSA-N 482.493 2.441 5 1 JEBF 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O=C(N[C@@H](COCc1ccccc1)C(=O)N1CCNCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085986 NCWZSFYEOFMSIK-FQEVSTJZSA-N 495.561 2.465 5 1 JEBF CC(=O)NC[C@H]1CN(c2ccc(N3C[C@H]4[C@H](N(C)c5ccc([N+](=O)[O-])o5)[C@H]4C3)c(F)c2)C(=O)O1 101028109 KCYBMKLLDNNFGM-GXYOHSSGSA-N 473.461 2.359 5 1 JEBF COc1cc(CN=c2nn[nH][nH]2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 473153343 APCKLWLPCHHFKQ-UHFFFAOYSA-N 482.238 2.334 5 1 JEBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1[N+](=O)[O-] 586942454 VKETZBZUUIHDQB-UHFFFAOYSA-N 488.551 2.427 5 1 JEBF COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1 72114239 WFCZIEPHTFRTJK-VXKWHMMOSA-N 476.489 2.231 5 1 JEBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCN2CCOCC2)c([N+](=O)[O-])cc1OC 4049101 MNZZRWFWAKQELM-GMAHTHKFSA-N 484.509 2.152 5 1 JEBF O=C(O)CN(CCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1n[s+]c2[nH]ccn12 169718773 ANAZZUHZQUYGKO-UHFFFAOYSA-O 483.552 2.343 5 1 JEBF COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCN2CCOCC2)c([N+](=O)[O-])cc1OC 4049099 MNZZRWFWAKQELM-GGAORHGYSA-N 484.509 2.152 5 1 JEBF CC(=O)Oc1cc2c(=O)oc3c(OC(C)=O)c(OC(C)=O)cc4c(=O)oc(c1OC(C)=O)c2c34 28709411 ZYIHXOSKMVETGC-UHFFFAOYSA-N 470.342 2.192 5 1 JEBF Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(NCCN3CCOCC3)c([N+](=O)[O-])c2)c1 15936209 FLRPWCHWBHSQIM-OAQYLSRUSA-N 469.542 2.302 5 3 JEBF Cc1nc(C)c(C(=O)[C@@H]2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 1836303 ZXTNQCYQALWFFK-MOPGFXCFSA-N 486.550 2.342 5 1 JEBF O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 586943608 ARYRWOQZPFUONH-UHFFFAOYSA-N 478.918 2.477 5 1 JEBF C=CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2)CC1 1857551663 NFOCQUAETSVAIY-UHFFFAOYSA-N 471.473 2.478 5 1 JEBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](n1cnc2c(N)nc(F)nc21)C(Cl)(Cl)Cl 1857581973 HLAMRMSBHHUWAG-LLVKDONJSA-N 496.674 2.256 5 1 JEBF C/C=C\C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C3)c1 13478648 GPSHSQGYOSWDIT-BIPNUARPSA-N 491.504 2.302 5 3 JEBF COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCOCCO)c([N+](=O)[O-])cc1OC 4205805 GLOVMUSBTRXDBS-CTNGQTDRSA-N 493.900 2.482 5 1 JEBF O=C(N[C@H]1CCCCNC1=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081276 YXTWKWRLSJFFOE-HOCLYGCPSA-N 471.539 2.355 5 1 JEBF O=C(NCCc1cnc[nH]1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12 2356822745 YPXSAKDHZNHBOF-ODNSNXTGSA-N 474.521 2.003 5 1 JEBF O=[N+]([O-])c1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 28713015 JCCNRANFDZZDRN-NRFANRHFSA-N 462.432 2.314 5 1 JEBF COc1c(N2[C@H](C)CN(C(=O)CC[N+](=O)[O-])C[C@H]2C)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 72114933 HSPYRYKFRBZNTD-CHWSQXEVSA-N 490.488 2.275 5 1 JEBF C[C@H]1COc2c(N3CCN(C(=O)c4ccco4)CC3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 29128270 YTJXKFBUHVPXQS-NSHDSACASA-N 486.412 2.256 5 1 JEBF CN1CCN(CCCNC(=O)[C@H]2CCCN2C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)CC1 82085383 BJMSOLYFNIHNCA-HXUWFJFHSA-N 486.598 2.077 5 1 JEBF COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCC(O)CC2)c(=O)c2cc([N+](=O)[O-])ccc12 103250728 SQAUYSVHBYXNDI-UHFFFAOYSA-N 464.478 2.372 5 1 JEBF O=C(O)c1cc2c(c3nc4c(=O)cccc-4[nH]c13)[C@H]1Cc3[nH]c4cccc(=O)c-4nc3[C@@H](O2)[C@@H]1O 2356340884 AAOLRJNKZMYJQL-QMXHIWORSA-N 468.425 2.049 5 1 JEBF O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O 103288183 ZICGYEZEKOUBFX-UHFFFAOYSA-N 479.474 2.283 5 1 JEBF COc1ccc(NC(=S)NC(=O)c2cn(CCO)c3c(cc(O)c4ncccc43)c2=O)cc1 103289315 POJDKFKIVUVXDB-UHFFFAOYSA-N 464.503 2.383 5 1 JEBF Cn1c([N+](=O)[O-])cnc1COC(=O)N[C@@H](n1cnc2c(N)nc(Cl)nc21)C(Cl)(Cl)Cl 1857540582 NSVAYOWMBKDQET-JTQLQIEISA-N 499.102 2.499 5 1 JEBF CC(C)(C)OC(=O)NCCOCCOCCNCc1cc(O)nc2c([N+](=O)[O-])cccc12 1857748321 RKUIPDJQIARLHH-UHFFFAOYSA-N 450.492 2.496 5 1 JEBF O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O 103286475 DQTVWVJMILXBJQ-UHFFFAOYSA-N 479.474 2.283 5 1 JEBF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@H](OCCOC)c2cc3c([N+](=O)[O-])cccc3nc2-1 27203999 VHDUYMCEAPFZPC-GGAORHGYSA-N 467.434 2.149 5 1 JEBF CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3Cc4ccccc4C3)CC2)cc1[N+](=O)[O-] 95604714 CMXREZVSYXCBHV-UHFFFAOYSA-N 457.508 2.393 5 1 JEBF CN(C)CCn1c(=O)c2cc(NC(=O)CN(C)C)ccc2c2cnc3cc4c(cc3c21)OCO4 45496316 DMPJPYCQXBLMOE-UHFFFAOYSA-N 461.522 2.493 5 1 JEBF CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCCN1CCN(C)CC1 82082260 AVHIEWCMBOOPHC-FQEVSTJZSA-N 488.614 2.226 5 1 JEBF CSc1ccc(S(=O)(=O)NCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1[N+](=O)[O-] 586941747 VYJGTDURSXZCIQ-UHFFFAOYSA-N 468.429 2.488 5 1 JEBF COCCNC(=O)c1cccc(Cn2nc(O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)c1 28656005 HOJQDOZZFDBKIS-UHFFFAOYSA-N 454.870 2.022 5 1 JEBF CCOC(=O)C1CCN(c2ncnc(Oc3ccc(S(C)(=O)=O)cc3)c2[N+](=O)[O-])CC1 33604430 GXDYPCVLMNSCLA-UHFFFAOYSA-N 450.473 2.360 5 1 JEBF CCn1cc(C(=O)OC)c(=O)c2cc(F)c(N3CCN(CCn4c([N+](=O)[O-])cnc4C)CC3)cc21 1857543209 DRXOJXNHPBMLSX-UHFFFAOYSA-N 486.504 2.182 5 1 JEBF O=C(N[C@H](Cc1ccccc1)C(=O)N1CCNCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82080845 JTELOWDDULTGNK-LJQANCHMSA-N 465.535 2.491 5 1 JEBF CC(=O)N[C@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H]1OC(C)=O 100054249 BESTZLZNOJJNEZ-ZGRTYHRDSA-N 472.450 2.249 5 1 JEBF C[C@@H]1O[C@H](n2c3ccc(O)cc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)[C@H](O)[C@H](O)[C@H]1O 2356323165 JBELEMSZEPUNJB-VFSQBVPMSA-N 473.485 2.378 5 1 JEBF Cc1oc2c([C@H]3CCN(C)C[C@H]3O)c(O)cc(O)c2c(=O)c1[C@H](O)c1csc([N+](=O)[O-])c1 1772622119 MJSYEGVNKLZBPV-GEDNVKPRSA-N 462.480 2.344 5 1 JEBF O=C(NC[C@@H]1CCCO1)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 59888518 GDFBPJDDXDVIFY-YZUZCNPQSA-N 450.495 2.495 5 3 JEBF CCCCNS(=O)(=O)c1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587273195 RLZGVNMJSQUNRW-KRWDZBQOSA-N 474.543 2.448 5 1 JEBF COc1c(N2[C@@H](C)CN(C(=O)CC[N+](=O)[O-])C[C@H]2C)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 72114931 HSPYRYKFRBZNTD-BETUJISGSA-N 490.488 2.275 5 1 JEBF O=C(NC[C@H](O)CO)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 2482049 DPCXOLSMOMSPGG-JTQLQIEISA-N 461.814 2.382 5 1 JEBF CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCO 4152182 PZSXMDMZKZEVNY-CTNGQTDRSA-N 459.455 2.211 5 1 JEBF Cc1ncc(Cn2cc(CSc3nnc(-c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)o3)nn2)c(N)n1 653720606 XUUIACCQVRLQGX-UHFFFAOYSA-N 470.431 2.166 5 1 JEBF O=C(NN1CCCCC1)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1772655792 IERDGVXEBPANNQ-CTNGQTDRSA-N 490.582 2.000 5 1 JEBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587265109 CJSRGICYTRIXJH-BMLIUANNSA-N 464.460 2.164 5 1 JEBF COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c([N+](=O)[O-])cc1OC 4053237 FXNDAUVWCNOUEN-BSLALVQMSA-N 482.493 2.489 5 1 JEBF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CCn4c([N+](=O)[O-])cnc4C)CC3)cc21 1857587677 RMZWMFTZVPUWBX-UHFFFAOYSA-N 472.477 2.094 5 1 JEBF O=C(CF)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1 38382397 CHNQWLANTYRRKP-INIZCTEOSA-N 479.440 2.060 5 1 JEBF C[C@@H](O)C(=O)N1CCC(n2c(=O)cnc3cnc4cc(F)c(-c5ccc(N)nc5)cc4c32)CC1 1772588995 SMHFCCFDGAMHDY-CYBMUJFWSA-N 462.485 2.272 5 1 JEBF O=C(O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1772601799 YXKKDNVLZNPTDR-WMZOPIPTSA-N 491.501 2.128 5 1 JEBF CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)CC2)CC1 586956094 UGGFHCNHDNZQHQ-UHFFFAOYSA-N 484.966 2.438 5 1 JEBF CC(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@@H](Nc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2SC1 40619900 FZGONIFAEWYWQG-QAPCUYQASA-N 489.510 2.326 5 1 JEBF CCOCCN(CCOCC)C(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 82135349 RBJPRSNQFIDZPW-UHFFFAOYSA-N 473.530 2.404 5 1 JEBF COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCOCCO)c([N+](=O)[O-])cc1OC 4054902 VCGIMLQEZSDJNG-PZJWPPBQSA-N 493.900 2.482 5 1 JEBF CCCCn1c(=O)c2c(nc(C)n2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n(CCCC)c1=O 28240295 NTIURMKZRZFVFS-UHFFFAOYSA-N 463.516 2.414 5 1 JEBF O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@@]2(CCC[C@@H]([N+](=O)[O-])C2)N1 963703782 NRDHGEJPJAWTFE-UHDDLCQXSA-N 453.495 2.133 5 1 JEBF CSC1=C(c2c(CCCNC(=N)N)c(=O)n3c4ccc(O)cc4c4ccnc2c43)N(C)CN1C 2356855798 RTIGXVYTDHVOCT-UHFFFAOYSA-N 477.594 2.384 5 1 JEBF O=C(NCCN1CCOCC1)c1ccc(NCCN2CCOCC2)c2cc3ccccc3nc12 27527152 RFVCYRSCDCNJFM-UHFFFAOYSA-N 463.582 2.194 5 1 JEBF O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4054896 WRQPFYLEFXWGGL-UYAOXDASSA-N 477.857 2.194 5 1 JEBF COC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 5957286 YFNNBPDZSMMUIC-DLBZAZTESA-N 495.529 2.420 5 1 JEBF CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1=O 13559500 GRIXSFHJKXADFX-UHFFFAOYSA-N 471.451 2.166 5 1 JEBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCNC(=O)C(F)(F)F)[C@@H]1c1cccc([N+](=O)[O-])c1 169723506 XXYJLCMXEVTXAC-GDBMZVCRSA-N 471.388 2.438 5 1 JEBF COc1cc2c(=O)n(CCNS(=O)(=O)N(C)C)c3c4cc5c(cc4ccc3c2cc1OC)OCO5 1857543422 AXCSYOIFALXGKR-UHFFFAOYSA-N 499.545 2.450 5 1 JEBF CC(=O)N[C@H](C(=O)O[C@H](C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]12)C(C)C 72937953 FOIWDPAORXKSGE-UKBILQQUSA-N 491.522 2.103 5 1 JEBF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N[C@@H]1CCCCNC1=O 82082155 HYILWABBTXABCY-RHSMWYFYSA-N 459.528 2.258 5 1 JEBF CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@@H]1CCCCNC1=O 82081936 GYHZPSBGZIWPPV-WBVHZDCISA-N 459.528 2.258 5 1 JEBF CCN(CC)C(=O)[C@@H]1CCCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)C1 28868196 FKADXZKEMSQUBI-CYBMUJFWSA-N 457.487 2.423 5 1 JEBF O=C(NCCc1cnc[nH]1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12 2356822746 YPXSAKDHZNHBOF-UDABPDOUSA-N 474.521 2.003 5 1 JEBF COc1ccc(-c2cs/c(=N\C(=O)c3cc(=O)[nH]c(=O)[nH]3)n2-c2ccc([N+](=O)[O-])cc2)cc1 40898928 KAOCAVCEEXIALT-FLFQWRMESA-N 465.447 2.240 5 1 JEBF 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O=C1NCCCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085206 WZUBVUPHEFTGHA-RHSMWYFYSA-N 457.512 2.108 5 1 JEBF O=[N+]([O-])c1cccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c12 586958770 IOKQDEWRAFIIFD-UHFFFAOYSA-N 455.452 2.413 5 1 JEBF COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NC[C@@H](O)CO)cc1 2480937 QLSNXNMOAVHKAZ-CYBMUJFWSA-N 473.438 2.026 5 1 JEBF O=C(O)c1cc2[nH]c([C@@H](O)[C@@H](O)C(=O)O)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586885141 BLGRXDQUUQEGQG-LEWJYISDSA-N 476.397 2.324 5 1 JEBF O=C(O)CNC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1772601798 YXKKDNVLZNPTDR-AEFFLSMTSA-N 491.501 2.128 5 1 JEBF CCN(CC)C(=O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1772611498 ZVIKQIYCFVKPPN-QUCCMNQESA-N 463.556 2.351 5 1 JEBF Cc1ccc(-c2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)cc1C(=O)NCCN1CCOCC1 1857605356 XAIBXYLSSYRDSH-UHFFFAOYSA-N 450.499 2.272 5 1 JEBF O=C(CSC(=S)NN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NCc1ccc2c(c1)OCO2 1772632280 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OC[C@@H]1O[C@@H](n2cnc3c(NCc4c5ccccc5cc5ccccc45)ncnc32)[C@@H](O)[C@@H]1O 26654467 PIRKENBEBYLCJH-XIXAVDCQSA-N 457.490 2.356 5 1 JEBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587273884 WNMPCSHPABADSA-KBPBESRZSA-N 466.204 2.175 5 1 JEBF COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCOCCO)c([N+](=O)[O-])cc1OC 4205802 GLOVMUSBTRXDBS-TZIWHRDSSA-N 493.900 2.482 5 1 JEBF CC(C)[C@H](NC(=O)C=CC=CC=CC=CC=CC=CC=CC(=O)N[C@H](CC(=O)O)C(=O)O)C(=O)O 2356684628 TWBJULYXAIUUEZ-XXBNENTESA-N 486.521 2.149 5 1 JEBF COc1cnc2c(c1)C(=O)c1c-2n(CCCN2CCOCC2)c(=O)c2cc([N+](=O)[O-])ccc12 84616564 HUXVOIJPUNCGOZ-UHFFFAOYSA-N 450.451 2.247 5 1 JEBF Cn1cc(-c2cnc3ccc4ccc(NS(=O)(=O)N5CCOCC5)cc4c(=O)c3c2)cn1 34873704 PPZHOOPKFAEAIE-UHFFFAOYSA-N 451.508 2.138 5 1 JEBF COc1ccc(NC(=O)C(C)(C)Nc2c([N+](=O)[O-])cc(C(=O)NCCO)cc2[N+](=O)[O-])cc1 27109476 IONHZFHFFOSMNY-UHFFFAOYSA-N 461.431 2.063 5 1 JEBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 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5 1 JEBF CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C1 4051200 QNMOGOQTMBTAHF-PDXHDDNESA-N 466.450 2.152 5 1 JEBF N[C@@H](CC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)C(=O)C1)Cc1cc(F)c(F)cc1F 71411392 AZJJLYUYRBMKND-OAHLLOKOSA-N 450.417 2.143 5 1 JEBF O=C(O)c1cc2c(c3nc4c(=O)cccc-4[nH]c13)[C@@H]1Cc3[nH]c4cccc(=O)c-4nc3[C@H](O)[C@H]1O2 2356704227 LQBAHWSHMAETON-LBULQGQXSA-N 468.425 2.049 5 1 JEBF C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1O)C(=O)O 28712811 MRSUJYSMUJQIDN-GTNSWQLSSA-N 467.438 2.038 5 1 JEBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCOCCO 4212730 JNKUEYCHDGCGMZ-WOJBJXKFSA-N 451.476 2.463 5 1 JEBF O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4054898 WRQPFYLEFXWGGL-AZUAARDMSA-N 477.857 2.194 5 1 JEBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c(Br)cnc(Cl)c2[nH]1 587272255 LTUJHMYMHFIZFF-RYUDHWBXSA-N 456.640 2.315 5 1 JEBF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[N+]4(CC3)C[n+]3c(C)cc(C)c(C(=O)O)c3N4)cc21 1857567186 RSAGLGXKYUIQHJ-UHFFFAOYSA-P 497.527 2.096 5 1 JEBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)[C@H](O)[C@@H](O)[C@@H]1O 2356737005 JHESBSYBSVWLBK-GJAOQILDSA-N 471.469 2.313 5 1 JEBF CO[C@@H]1[C@H](CO)O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)[C@H](O)[C@@H]1O 34800318 RCARSYAJRLTMFI-ADPFIMHESA-N 487.512 2.299 5 1 JEBF CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@@H]1CCCCNC1=O 82081938 GYHZPSBGZIWPPV-NVXWUHKLSA-N 459.528 2.258 5 1 JEBF C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C[N+](=O)[O-])CC[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@H](O)[C@@H](O)[C@H]1O 36107870 LJRWCHFVXQLGOI-GKWQGVFASA-N 497.629 2.250 5 1 JEBF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCCN1CCN(C)CC1 82082416 AAGISKBHNBAPFT-FQEVSTJZSA-N 488.614 2.226 5 1 JEBF O=C(O)c1cc2c(c3nc4c(=O)cccc-4[nH]c13)[C@@H]1Cc3[nH]c4cccc(=O)c-4nc3[C@@H](O)[C@H]1O2 100302702 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