smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(O)c1cc(=O)c2c(C(F)(F)F)c3c(=O)cc(C(=O)O)[nH]c3c(Cl)c2[nH]1 39221300 FDRFMXKZMVYQKK-UHFFFAOYSA-N 402.668 2.438 5 1 HEBF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586939452 OZSLJDVUURNQJE-NSHDSACASA-N 407.459 2.432 5 1 HEBF O=C(CCc1ccc2c(c1)CCO2)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O 2356810357 XQXPJPTYVMHVAZ-WBVHZDCISA-N 409.442 2.270 5 1 HEBF C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-] 13863128 KHHZIWWJGSRWKH-NSHDSACASA-N 409.376 2.167 5 1 HEBF Cn1c2ccccc2c(=NNc2ccc(S(=O)(=O)NC(=N)N)cc2)c2ccccc21 5538224 DPSMWGHJGBYYMX-UHFFFAOYSA-N 420.498 2.431 5 1 HEBF C[C@@H]1COc2c(N3CCSCC3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 29127086 YQXYSZOHSQGHER-MRVPVSSYSA-N 409.395 2.254 5 1 HEBF CN(C)S(=O)(=O)c1cccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 587270751 SFMMYWWJEAVXIT-UHFFFAOYSA-N 404.404 2.113 5 1 HEBF Cn1c(OC2CCN(c3ccc([N+](=O)[O-])s3)CC2)nc(-c2ccncn2)cc1=O 146515748 LAWZWHWNPLXWRK-UHFFFAOYSA-N 414.447 2.255 5 1 HEBF Nc1ccccc1CNC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084805 VSJOEHRIXBQETJ-UHFFFAOYSA-N 411.443 2.347 5 1 HEBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC[C@@H](C)[N+](=O)[O-])[C@@H]1c1cccc([N+](=O)[O-])c1 169723494 XRDKNUNNNMOCOZ-IGGJQXEISA-N 419.390 2.425 5 1 HEBF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587261278 AKIVYBPOOCGFBU-AEGPPILISA-N 422.507 2.254 5 1 HEBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c(Cl)cnc(Cl)c2[nH]1 587274115 YSIYBAGIEMOXMB-RYUDHWBXSA-N 412.189 2.206 5 1 HEBF O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 201447058 QHWFSUNGEUWIMV-UHFFFAOYSA-N 409.489 2.373 5 3 HEBF CN(C)CCN1CCN(C(=O)c2cnc3c(ccc4cc5c(cc43)OCCO5)c2)CC1 1857603035 VYSVIQRWQDJMLX-UHFFFAOYSA-N 420.513 2.479 5 1 HEBF CCCCNC(=O)c1cnc(NCCNC(C)=O)nc1-c1cccc([N+](=O)[O-])c1 82214806 HQPOGDPDVOXQEM-UHFFFAOYSA-N 400.439 2.130 5 1 HEBF CN(C)CCNC(=O)c1ccc2c3c1nc1ccc(O)cc1c3[nH]n2CCN(C)C 26995933 AYOPKORSYXONPG-UHFFFAOYSA-N 408.506 2.229 5 1 HEBF CC[C@H](C)Nc1ncc(C(=O)NCCNC(C)=O)c(-c2cccc([N+](=O)[O-])c2)n1 82136117 YBJPRBMZDCDTFA-LBPRGKRZSA-N 400.439 2.128 5 1 HEBF CNS(=O)(=O)c1cc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)n(C)c1 586946743 FNQAREIIFSBINB-UHFFFAOYSA-N 414.241 2.147 5 1 HEBF Cc1c2cc[n+]([C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 28757769 ZACUYABEJXXGMP-OGAZVBSLSA-O 409.462 2.084 5 1 HEBF CSc1ccc(S(=O)(=O)NCc2nc3cnc(Cl)[nH]c-3n2)cc1[N+](=O)[O-] 586941186 QKZDZPAFXYDAGK-UHFFFAOYSA-N 414.856 2.067 5 1 HEBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 587119112 XXDNAEMTRPCEJF-UHFFFAOYSA-N 405.314 2.290 5 1 HEBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587266441 XVJIPIYGQDJOSO-ZDUSSCGKSA-N 421.417 2.479 5 1 HEBF COC(=O)C(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432393 JVILSFMWJNCAGT-QVKFZJNVSA-N 411.366 2.379 5 1 HEBF CCN(C(=O)c1ccccc1)c1cc(ON[N+](=O)N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] 377803809 KOIYAIPXVCOILE-UHFFFAOYSA-N 419.374 2.224 5 1 HEBF CCOC(=O)C[C@]1(c2ccccc2[N+](=O)[O-])N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963511019 RNXOMNUDZDUPCT-HRAATJIYSA-N 414.414 2.405 5 1 HEBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(S)nc(S)nc2[nH]1 587264973 BCHKAMQZWOMFMG-SSDLBLMSSA-N 423.436 2.281 5 1 HEBF C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OC[C@H]1CCCN1C 82083980 RWHVJBXAPWQVQN-CHWSQXEVSA-N 418.475 2.474 5 1 HEBF C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1 13863127 CBDVBLJEDWGNLW-NSHDSACASA-N 409.376 2.167 5 1 HEBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cccc(Br)c2[nH]1 587271265 BJIIJZJAAQAESE-KBPBESRZSA-N 421.207 2.267 5 1 HEBF COC(=O)[C@@H](CNCCc1ccc(OC)c(OC)c1)[C@H](O)c1ccc([N+](=O)[O-])cc1 98082744 RCISQOIOURZNPV-FXAWDEMLSA-N 418.446 2.267 5 1 HEBF CC[C@@H](C)Nc1ncc(C(=O)NCCNC(C)=O)c(-c2cccc([N+](=O)[O-])c2)n1 82136115 YBJPRBMZDCDTFA-GFCCVEGCSA-N 400.439 2.128 5 1 HEBF NC(=O)N1CCC(n2c(=O)cnc3cnc4ccc(-c5ccc(N)nc5)cc4c32)CC1 1772605622 RUYSDHQWOWKKLI-UHFFFAOYSA-N 415.457 2.305 5 1 HEBF N=c1ccn([C@@H]2O[C@H](COc3cccc4cc5ccccc5cc34)[C@@H](O)[C@H]2O)c(O)n1 2356461715 RDDAGZVVIVZLQQ-ZHHKINOHSA-N 419.437 2.073 5 1 HEBF O=C(OCC(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])o1 66259355 ISAXSRPTABPIIZ-HNNXBMFYSA-N 404.375 2.258 5 1 HEBF NCCCN1CCN(CCCNc2ccc3ncn4c5ccccc5c(=O)c2c34)CC1 102957384 LGLBFPWUUGZYBJ-UHFFFAOYSA-N 418.545 2.207 5 1 HEBF CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])cn1 27320772 HSGWPJRGUUDJPS-HNNXBMFYSA-N 402.432 2.399 5 1 HEBF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)[C@@H](C)O)cc1 586934581 HLBHBJCUPCLBOB-PIGZYNQJSA-N 420.447 2.189 5 1 HEBF CCCCNS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587262657 HGPWSKXKUSTFLX-AEGPPILISA-N 422.507 2.302 5 1 HEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccc(C(F)(F)F)cc3)n1)C2 45245090 CUIZSSAAOCHHMX-ZDUSSCGKSA-N 410.312 2.369 5 1 HEBF COCCCNC(=O)c1cnc(NCCCOC)nc1-c1cccc([N+](=O)[O-])c1 82134340 WZRRFQYQHGRIJN-UHFFFAOYSA-N 403.439 2.267 5 1 HEBF CC(=O)N1CCN(C(=O)c2cnc(NCC3CC3)nc2-c2cccc([N+](=O)[O-])c2)CC1 82135520 LGIUWKOXOFRIFW-UHFFFAOYSA-N 424.461 2.178 5 1 HEBF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 473150943 NQCZOJBXUQGEES-LZJOCLMNSA-N 410.382 2.485 5 1 HEBF COc1cnc2ccc(=O)n(CCN3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)c2c1 653808105 LTCNTWXXZFEBRS-UHFFFAOYSA-N 423.473 2.131 5 1 HEBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCO 4212864 FXPXREDPCIWPRJ-ZWKOTPCHSA-N 407.423 2.446 5 1 HEBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Cl)c(Cl)nc2[nH]1 587271664 FCJQIFIREDEQNM-QWRGUYRKSA-N 412.189 2.206 5 1 HEBF COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@H](C)[N+](=O)[O-])[C@@H]1c1cccc([N+](=O)[O-])c1 49781457 IRUIQJYIZGHJFQ-DYZYQPBXSA-N 419.390 2.211 5 1 HEBF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@H](C)O)cc1 586937804 NNOALJQERFRKFM-JDNHERCYSA-N 424.410 2.019 5 1 HEBF COCCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)c1ccc2c(O)nc(O)nc2n1 587556670 YVYXGOWLXKGBHM-UVTDQMKNSA-N 412.358 2.074 5 1 HEBF CNCCn1c(=O)c2cc(OC)c(OC)cc2c2nnc3cc4c(cc3c21)OCO4 40977114 NJXFWRPLWLTVMD-UHFFFAOYSA-N 408.414 2.063 5 1 HEBF O=C(c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1)N1CCN(CCO)CC1 587270786 URHILUIFRBIAOU-UHFFFAOYSA-N 423.473 2.006 5 1 HEBF CCCCCCN1CCN([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)S(=O)(=O)C2)CC1 61923719 UONLLGJLYWYMNC-FQEVSTJZSA-N 424.567 2.307 5 3 HEBF Cn1cnnc1SCCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 1857656209 OOQDQLXLUWGADQ-UHFFFAOYSA-N 421.464 2.172 5 1 HEBF CCOC(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963511024 RNXOMNUDZDUPCT-KKSFZXQISA-N 414.414 2.405 5 1 HEBF CO[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1 28763433 ZHVIQHHVEWYUCW-XSEFMFLKSA-O 409.462 2.350 5 1 HEBF C/C=C1\C[N@@+]2([O-])[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H](OC(C)=O)[C@]4(C[C@@H]12)c1ccccc1N(C)[C@H]34 255226558 LJZSPOANDHXTKX-AETZWFGQSA-N 424.497 2.283 5 1 HEBF O=[N+]([O-])c1cc2nc(-c3nccnc3I)[nH]c2cc1[N+](=O)[O-] 587186272 GPKWNVIBSRLXNQ-UHFFFAOYSA-N 412.103 2.441 5 1 HEBF O=C(Cc1ccc(-n2cnnc2)cc1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 96938241 NYXIKZICJVPEFZ-UHFFFAOYSA-N 420.473 2.105 5 1 HEBF COc1cccc2sc(=Nc3c([N+](=O)[O-])cc([N+](=O)[O-])c4no[n+]([O-])c34)[nH]c12 473235085 KOLWYXRJFLDNQN-UHFFFAOYSA-N 404.320 2.061 5 1 HEBF N=C(N)c1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1 587263126 NARFPGJVYIXIKP-UHFFFAOYSA-N 407.434 2.238 5 1 HEBF COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 101179374 JEKLWIHDPKZGFH-BHRWCRGXSA-N 404.419 2.416 5 1 HEBF COC(=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1OC 586920053 KEKYELDPGFHXTL-UHFFFAOYSA-N 405.388 2.240 5 1 HEBF COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)cc4c(C)c3c2c1 95556209 DIPPXSJGIDURDU-GYIQIQDTSA-O 423.489 2.387 5 1 HEBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(N)=O)c2[nH]1 587267411 YPILRINIBXWFQZ-XLKFXECMSA-N 400.351 2.012 5 1 HEBF CO[C@H]1[C@@H](O)CO[C@@H]([n+]2ccc3c(C)c4[nH]c5ccc(O)cc5c4c(C)c3c2)[C@@H]1O 28762760 CKZDUHIWGBLFRX-OUFMZXHOSA-O 409.462 2.350 5 1 HEBF COc1cc2c(cc1OC)[C@]13CC[N@@+]4([O-])C/C(=C/CO)[C@H](C[C@@H]14)C1=CCC(=O)N2[C@@H]13 584879800 ICEFLCNOUJCINW-BUFJTIJUSA-N 410.470 2.026 5 1 HEBF in-vitro O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(Br)cc2[nH]1 587271721 GJBSFUQMDFROAK-KBPBESRZSA-N 421.207 2.267 5 1 HEBF C[C@]1(COc2ccc(S(=O)(=O)N3CCCCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 653785999 LAARRQVGZGQFNH-GOSISDBHSA-N 422.463 2.196 5 1 HEBF C[C@]1(COC(=O)N2CCN(c3ccc(F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1 653733779 RTLOEYRCIWWCFS-GOSISDBHSA-N 405.386 2.040 5 1 HEBF CN(C)CCNc1ccc(CNS(C)(=O)=O)c2sc3ccccc3c(=O)c12 100890986 CGLOJLVTKCBKQQ-UHFFFAOYSA-N 405.545 2.437 5 1 HEBF C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 27557424 YAXHREPIKUCWQP-LLVKDONJSA-N 409.376 2.167 5 1 HEBF N[C@@H](CC[P@](=O)(O)[C@@H](NCc1ccccc1)c1cccc([N+](=O)[O-])c1)C(=O)O 1772604717 ARDYJJNVORDHRK-DLBZAZTESA-N 407.363 2.456 5 1 HEBF O=C(Cn1cnc([N+](=O)[O-])n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657032 QNRYVMVSINPRES-UHFFFAOYSA-N 412.312 2.182 5 1 HEBF CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc([N+](=O)[O-])cc43)cc2)CC1 45497844 IQYIBKIFNDNAAV-UYRXBGFRSA-N 407.430 2.070 5 1 HEBF CCCCNS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587262664 HGPWSKXKUSTFLX-SNPRPXQTSA-N 422.507 2.302 5 1 HEBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(S)nc(S)nc2[nH]1 587264968 BCHKAMQZWOMFMG-MLUIRONXSA-N 423.436 2.281 5 1 HEBF COC(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2n1 587266875 PSZXOEVKZLZXSM-RTHLEPHNSA-N 416.350 2.095 5 1 HEBF Cc1onc(-c2nc3nc(N)nc(Cl)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079321 IWHGTAOEEJYVJT-UHFFFAOYSA-N 410.181 2.358 5 1 HEBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCC[N+](C)(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 84466212 JXUOFXBSKGTXOG-IBGZPJMESA-O 418.470 2.252 5 1 HEBF COC(=O)c1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cn1 586927055 SIEUWCXSHFELHV-UHFFFAOYSA-N 410.795 2.377 5 1 HEBF CN(C)C(C)(C)COC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084926 MASCLBPHCINVMT-UHFFFAOYSA-N 406.464 2.332 5 1 HEBF Cc1nc(-c2cc3cc(CNS(C)(=O)=O)cc([N+](=O)[O-])c3[nH]2)sc1C(=O)O 653707180 QKWPHPUBQTUZGW-UHFFFAOYSA-N 410.433 2.255 5 1 HEBF NC(=O)c1cc(N2CCC(c3nc4c(Cl)ncnc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262702 FBOLIKJOTORTMS-UHFFFAOYSA-N 401.814 2.397 5 1 HEBF COC(=O)C1=C(Cn2ccnc2)N=C(C)[C@@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 169726955 VRCZVYLPAGZAIP-IAGOWNOFSA-N 412.402 2.266 5 1 HEBF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)o1 586923257 HQBXWDDUMLKREU-UHFFFAOYSA-N 414.403 2.452 5 1 HEBF CS(=O)(=O)c1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586926324 NIPUODGWLRSUHF-UHFFFAOYSA-N 419.810 2.171 5 1 HEBF Cn1c2cc(N3CCN(c4ccccn4)CC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 34661433 PXSCMKOFBPWJQS-UHFFFAOYSA-N 417.469 2.407 5 1 HEBF CC(=O)c1c(-c2ccccc2)n(C2=NNC(=S)N[C@@H]2N)c2ccc([N+](=O)[O-])cc12 169346637 MTGKLFSPXNQWPS-KRWDZBQOSA-N 408.443 2.343 5 1 HEBF C[C@@H]1CC(=O)[C@H](Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@@H]1C[N+](=O)[O-] 587261634 CXQNJPSLRKOONM-MRVWCRGKSA-N 410.434 2.283 5 1 HEBF CC(=O)NCCNc1ncc(C(=O)N2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149972 MDENQNHTNTVKEO-UHFFFAOYSA-N 412.450 2.226 5 1 HEBF CC1(C)Oc2cc(O)ccc2[C@H]2C1=CCn1c(=O)n(-c3cccc([N+](=O)[O-])c3)c(=O)n12 72108046 GUJPIODPKHKNPU-SFHVURJKSA-N 422.397 2.115 5 1 HEBF CC1(C)O[C@H]2[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)O[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 13152228 IKRMVZVASOBSSJ-WNZSCWOMSA-N 409.391 2.148 5 1 HEBF C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OC[C@@H]1CCCN1C 82083683 KBMAZOCBKJFRPY-DOMZBBRYSA-N 418.475 2.474 5 1 HEBF Cc1onc(-c2nc3c(C(N)=O)cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080415 UWXBDWRAGZCSKL-UHFFFAOYSA-N 401.770 2.432 5 1 HEBF N=c1ccn([C@@H]2O[C@H](COc3cccc4cc5ccccc5cc34)[C@@H](O)[C@@H]2O)c(O)n1 2356461713 RDDAGZVVIVZLQQ-PSWRPDDJSA-N 419.437 2.073 5 1 HEBF O=[N+]([O-])c1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Cl 586941384 KCIQFILCJWZYEC-UHFFFAOYSA-N 424.822 2.374 5 1 HEBF O=C(c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)n1ncc2ccc(Cl)cc2c1=O 587652281 BDRILVSWLDZKQP-UHFFFAOYSA-N 410.777 2.286 5 1 HEBF C[C@@H](CNC(=O)Cc1ccccc1Cl)NC[C@H](O)COc1ccccc1[N+](=O)[O-] 28265096 KHSBRNRFLXLALG-HOCLYGCPSA-N 421.881 2.325 5 1 HEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@@H]1C[N+](=O)[O-] 587261633 CXQNJPSLRKOONM-KWCYVHTRSA-N 410.434 2.283 5 1 HEBF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@](CO)(c2ccc([N+](=O)[O-])cc2)N1 962634990 NMJHXPWEPWKJBB-CXAGYDPISA-N 412.320 2.328 5 1 HEBF COc1ccc(Cn2cc(C(=O)c3cn(Cc4ccc([N+](=O)[O-])cc4)nn3)nn2)cc1 1857748933 OZKZRQAGMANRMI-UHFFFAOYSA-N 419.401 2.114 5 1 HEBF COc1cc2c(=O)n(CCN(C)C)c3c4cc5c(cc4nnc3c2cc1OC)OCO5 1912585 VQKWAUROYFTROF-UHFFFAOYSA-N 422.441 2.405 5 1 HEBF COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 5060316 HWDKDHPEMRUKBZ-WQAKAFBOSA-N 407.810 2.448 5 1 HEBF COc1cc(C2=NN(C(N)=O)[C@@H](c3cccc([N+](=O)[O-])c3)C2)ccc1OCC(=O)O 28713557 GKCPPIRURMGBPP-OAHLLOKOSA-N 414.374 2.297 5 1 HEBF C[C@H]1COc2c(N3C[C@@H](C)O[C@H](C)C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 29127039 OLBFELXEJBQDQC-IVZWLZJFSA-N 421.381 2.314 5 1 HEBF NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 98083687 KZTQXHJTRKKEEJ-UHFFFAOYSA-N 414.852 2.022 5 1 HEBF CC[C@]1(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)N(c2ccccc2)C(=O)N=C1O 26286688 YJIQNVAVKABWSL-HXUWFJFHSA-N 422.353 2.463 5 1 HEBF CC[C@@]1(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)N(c2ccccc2)C(=O)N=C1O 26286696 YJIQNVAVKABWSL-FQEVSTJZSA-N 422.353 2.463 5 1 HEBF CCCCOC(=O)COC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084976 UOZCCMHKFOEHJX-UHFFFAOYSA-N 421.431 2.335 5 1 HEBF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 586944988 AIMILSYBEACWEV-GFCCVEGCSA-N 417.447 2.299 5 1 HEBF N[C@@H](CCc1nc2cc(F)cc(C(=O)O)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270519 LLOGFAOBFWFRTH-ZDUSSCGKSA-N 401.354 2.207 5 1 HEBF CC(C)Oc1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587274314 ZGRVQIVMDAXMIS-IRXDYDNUSA-N 400.391 2.291 5 1 HEBF O=c1c2ccc(C(F)(F)F)nc2ncn1Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 653852971 ZCRJWVJFOSNSPQ-UHFFFAOYSA-N 417.307 2.348 5 1 HEBF O=C1[C@H]2N=NN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@H]2C(=O)N1c1ccccc1 73224964 DOPVJUAEDLMBAC-JKSUJKDBSA-N 419.357 2.138 5 1 HEBF Cc1c2cc[n+]([C@H]3O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 169302465 ZACUYABEJXXGMP-MDCJRFGHSA-O 409.462 2.084 5 1 HEBF Cc1nc2c3ccccc3n3c(CCCC(=O)NCc4ccccn4)nnc3n2n1 4906212 FKUGZXDVQBMLSU-UHFFFAOYSA-N 400.446 2.268 5 1 HEBF COc1ccc(N(C)c2cc(ON[N+](=O)N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 377823289 FGUBOJBYOLJBTF-UHFFFAOYSA-N 407.363 2.333 5 1 HEBF CN(C)S(=O)(=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 587264256 KOPVYDNKIPDENF-UHFFFAOYSA-N 405.392 2.220 5 1 HEBF Cc1nc([N+](=O)[O-])cn1C[C@@H](O)CSC(=S)N1CCN(c2ccccc2)CC1 1772593650 WYZRDABLQGBHNE-MRXNPFEDSA-N 421.548 2.301 5 1 HEBF CN1CCN(Cc2ccc3nc4ccc(CN5CCN(C)CC5)cc4nc3c2)CC1 22873502 MZBSORTVVGDWJE-UHFFFAOYSA-N 404.562 2.278 5 1 HEBF N[C@@H](CCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270904 TYILGIDFTWSQIP-LBPRGKRZSA-N 402.342 2.417 5 1 HEBF CCN1CCN(Cc2nc3ccc([N+](=O)[O-])cc3c(=O)n2Cc2ccccc2)CC1 201511316 PGBHLYLVSGDODW-UHFFFAOYSA-N 407.474 2.491 5 1 HEBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])cnc2[nH]1 587265097 CFXKYEFKNLJPPW-FUXBKTLASA-N 403.311 2.217 5 1 HEBF COC(=O)c1ccnc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 587265462 FGLPMAPOVGLWFE-OQPBUACISA-N 416.350 2.095 5 1 HEBF COC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccccc1[N+](=O)[O-] 587650164 GMEDGRNLMFTCLH-UHFFFAOYSA-N 402.384 2.497 5 1 HEBF CN(C)CCOc1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 586920561 UGFXWHPBMMUMQS-UHFFFAOYSA-N 404.448 2.385 5 1 HEBF CSc1ccc(S(=O)(=O)NCc2nc3cccc(C(=O)O)c3[nH]2)cc1[N+](=O)[O-] 586940919 KMAJFDPLXQCQRJ-UHFFFAOYSA-N 422.444 2.370 5 1 HEBF Cc1cc2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc2cc1[N+](=O)[O-] 586955654 RDOBHIIKDHSOSP-UHFFFAOYSA-N 401.448 2.346 5 1 HEBF CN(C)CCCCOC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084975 JWILSKLUSKXVNX-UHFFFAOYSA-N 406.464 2.333 5 1 HEBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(O)nc(O)nc2[nH]1 587054759 LTVFZTHOBAYLGF-SNVBAGLBSA-N 406.786 2.453 5 1 HEBF CN(C)CCC(=O)Nc1ccc2[nH]c3ccc(NC(=O)CCN(C)C)cc3c(=O)c2c1 28387811 XJMSONLFELMGED-UHFFFAOYSA-N 423.517 2.462 5 1 HEBF C=c1[nH]n(-c2cccc(C(=O)O)c2)c(=O)/c1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 169727413 AWAITLQCVONYLY-UNOMPAQXSA-N 417.377 2.271 5 1 HEBF O=C1O[C@H](c2ccccc2)C(=O)N1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 103209638 PXVHGFIFWDBSPW-LJQANCHMSA-N 410.430 2.437 5 1 HEBF O=C(NCCN1CCOCC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12 20646321 KXSCXXIFXNDHCZ-UHFFFAOYSA-N 402.454 2.063 5 1 HEBF C[C@@H](CNC(=O)Cc1ccccc1Cl)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] 28265086 KHSBRNRFLXLALG-GOEBONIOSA-N 421.881 2.325 5 1 HEBF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@](CO)(c2ccc([N+](=O)[O-])cc2)N1 962634995 NMJHXPWEPWKJBB-GUYCJALGSA-N 412.320 2.328 5 1 HEBF CCOC(=O)Nc1cc(N[C@@H](C)[C@H](O)COc2ccccc2)c([N+](=O)[O-])c(N)n1 27184573 LRZDAEYFDMIJMB-SMDDNHRTSA-N 405.411 2.381 5 1 HEBF C[C@H]1CN(c2c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn4c3c2OC[C@H]4C)C[C@@H](C)O1 29127042 OLBFELXEJBQDQC-BBBLOLIVSA-N 421.381 2.314 5 1 HEBF Nc1ccc(N)c2c1C(=O)c1c([N+](=O)[O-])cccc1[C@]21NCCc2ccc(O)cc21 963329114 LQBYRNYXQKHKNT-JOCHJYFZSA-N 402.410 2.447 5 1 HEBF N[C@@H](CCc1nc2cc(C(=O)O)c(F)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270798 PPWSPLQZKSZVBD-ZDUSSCGKSA-N 401.354 2.207 5 1 HEBF NNc1ccc(S(=O)(=O)C(Cl)(Br)Br)cc1[N+](=O)[O-] 213685670 JPKNBHCSLWWEJV-UHFFFAOYSA-N 423.470 2.294 5 1 HEBF CN(CC(=O)OC[C@H]1CCCN1C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085773 SMCIHLFICZNNBJ-OAHLLOKOSA-N 418.475 2.428 5 1 HEBF CN1c2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)nc2C(N)=NS1(=O)=O 26973196 BEHCMIAPGDFVIO-UHFFFAOYSA-N 410.415 2.119 5 1 HEBF Nc1nc(O)c2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2n1 587117466 DMGZIAKWFYNHEV-UHFFFAOYSA-N 420.311 2.480 5 1 HEBF Cn1nc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(I)c1C(=O)O 587181041 LVNMWERVWGYMFC-UHFFFAOYSA-N 413.131 2.174 5 1 HEBF O=C(O)Cn1cc(I)c(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 587185020 HXRXYOIHGJYZGO-UHFFFAOYSA-N 413.131 2.024 5 1 HEBF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@](CO)(c2ccc([N+](=O)[O-])cc2)N1 962634996 NMJHXPWEPWKJBB-SUMWQHHRSA-N 412.320 2.328 5 1 HEBF CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2N)C1 586955339 PFPBRWYQXDIXLB-UHFFFAOYSA-N 405.411 2.177 5 1 HEBF COC(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2n1 587266873 PSZXOEVKZLZXSM-CLAHSXSESA-N 416.350 2.095 5 1 HEBF O=C1OCC2=C1[C@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)c1c(-c3ccccc3)n[nH]c1N2 299868372 RGMCERWDTLEBMB-NRFANRHFSA-N 415.365 2.460 5 1 HEBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1 587119116 YFBNTSFZNBEMMT-UHFFFAOYSA-N 403.342 2.447 5 1 HEBF N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)OCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 1772650815 GMNCQGKKSSXBCB-SFHVURJKSA-N 406.402 2.270 5 1 HEBF O=C1OCc2cc(CC(=O)N3CCN(CCc4ccc([N+](=O)[O-])cc4)CC3)ccc21 96286280 OYNPHFRQUFYXCN-UHFFFAOYSA-N 409.442 2.195 5 1 HEBF CS(=O)(=O)c1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc(S(C)(=O)=O)c1 587280325 SQWTYIYIXXTWHG-UHFFFAOYSA-N 423.424 2.379 5 1 HEBF C[C@@H]1[C@H](O)N(C(=O)OC(C)(C)C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C 1857586481 DCMLUXUFLSRIBF-WDMOLILDSA-N 401.441 2.094 5 1 HEBF CCOC(=O)c1sc(NC(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)nn2)nc1C 1857606829 OQAYPIZBNYYXTI-UHFFFAOYSA-N 416.419 2.434 5 1 HEBF O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 6934397 REQKQNBPTKCGHN-ARFHVFGLSA-N 407.492 2.254 5 1 HEBF COc1ccc([N+](=O)[O-])cc1COc1c(Cl)cc(CN=c2nn[nH][nH]2)cc1OC 473149207 JCZQDFLFUNSLLN-UHFFFAOYSA-N 420.813 2.392 5 1 HEBF N[C@@H](CCc1nc2cc3c(cc2[nH]1)NC(=O)CC3)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271092 AFEBKQNUDBCBOQ-AWEZNQCLSA-N 408.418 2.254 5 1 HEBF COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587447906 GEZVWKQJPDCYMA-KXBFYZLASA-N 403.412 2.291 5 1 HEBF COc1cc2c(cc1OC)[C@@]13CC[N+]4(C)CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34 27518192 JCBFKEORAXPJSU-CLYFSWBMSA-N 409.506 2.254 5 1 HEBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1c[nH]cc(Br)c1=O 587942395 XOLXMVIKWSFFLU-UHFFFAOYSA-N 424.211 2.126 5 1 HEBF O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NCc1ccccc1Cl 263592187 RYGAZRVOWWHOFM-UHFFFAOYSA-N 403.782 2.345 5 3 HEBF COC(=O)c1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cn1 587267022 SAXPWYBKGHXCHO-VXJOIVPMSA-N 416.350 2.095 5 1 HEBF C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 27557275 HZOAMIFJTALGAB-LLVKDONJSA-N 409.376 2.167 5 1 HEBF O=C(Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 103199757 CPUCGATWMLEZTB-CYBMUJFWSA-N 405.819 2.383 5 1 HEBF O=[N+]([O-])c1cc(Cl)ccc1N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 34860599 BOYWBJMSKCNEAO-UHFFFAOYSA-N 423.838 2.295 5 1 HEBF NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc([N+](=O)[O-])cc4)nn23)cc1 103269653 DBTDUXPSLRNUSW-UHFFFAOYSA-N 402.417 2.075 5 1 HEBF CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)O)cc1 27557994 BFURYFRHUFCRAI-GFCCVEGCSA-N 421.431 2.217 5 1 HEBF O=C(NCc1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])c1)Nc1ccccc1 36338513 HYXRLESSUQXLHP-UHFFFAOYSA-N 420.385 2.237 5 1 HEBF CN(Cc1ccccc1[N+](=O)[O-])C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 38209655 BCMZWIONUYIXEX-IBGZPJMESA-N 403.389 2.484 5 1 HEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(I)cnc3[nH]2)[C@H]1C[N+](=O)[O-] 587263418 MODGJHSYGIHCNZ-JEZHCXPESA-N 414.203 2.223 5 1 HEBF NCCNC(=O)/C=C/c1c2ccccc2c(/C=C/C(=O)NCCN)c2ccccc12 28761412 ZGWMVLQWOIIOCO-WGDLNXRISA-N 402.498 2.169 5 1 HEBF CCC(=O)O[C@H](C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]12 73407432 GABZWIRTOIOBLO-PHEKWQANSA-N 406.416 2.352 5 1 HEBF C/C=C1\C[N@+]2([O-])[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H](OC(C)=O)[C@]4(C[C@@H]12)c1ccccc1N(C)[C@H]34 299811018 LJZSPOANDHXTKX-ZAIGTBLWSA-N 424.497 2.283 5 1 HEBF COc1cc(OCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)ccc1[N+](=O)[O-] 587261759 HXVYDUWBGXWYJA-UHFFFAOYSA-N 406.420 2.309 5 1 HEBF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 586944989 AIMILSYBEACWEV-LBPRGKRZSA-N 417.447 2.299 5 1 HEBF COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@H]2c3ccccc3[C@H]1C2(c1ccccc1)[N+](=O)[O-] 2356823605 FBQLVSHKGNDFRA-WNRNVDISSA-N 409.394 2.201 5 1 HEBF CN(C)CCNC(=O)c1ccc(N(C)CCN(C)C)c2c(O)c3ccccc3nc12 13652293 LGMYJHRHZWRTAG-UHFFFAOYSA-N 409.534 2.383 5 1 HEBF Nc1nc(=O)[nH]c2nc3[nH]c(=S)[nH]c(=O)c3c(-c3ccc(N4CCCCC4)cc3)c12 40940460 RSTCWYAKSXKOHQ-UHFFFAOYSA-N 421.486 2.457 5 1 HEBF CCCCCCN1CCN([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)S(=O)(=O)C2)CC1 61923718 UONLLGJLYWYMNC-HXUWFJFHSA-N 424.567 2.307 5 3 HEBF NCCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081328 HHXBIPKPQDSPBV-ZDUSSCGKSA-N 404.448 2.072 5 1 HEBF CN(C)CCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085545 WDDFQRQOSNPSNW-INIZCTEOSA-N 418.475 2.428 5 1 HEBF COC(=O)c1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cn1 587267020 SAXPWYBKGHXCHO-AYVTZFPOSA-N 416.350 2.095 5 1 HEBF COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1N1CCNCC1 27650342 FVGSGZBVVBKGCH-UHFFFAOYSA-N 406.464 2.122 5 1 HEBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])cnc2[nH]1 587265102 CFXKYEFKNLJPPW-WPPNPWJKSA-N 403.311 2.217 5 1 HEBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc([N+](=O)[O-])cc1)C(O)O 587573919 DOPLFBMNFRDMMY-UTKZUKDTSA-N 409.350 2.468 5 1 HEBF COc1cc2c(cc1OC)[C@@]13CC[N+]4([O-])C/C(=C/CO)[C@H](C[C@@H]14)[C@H]1CCC(=O)N2[C@H]13 59586511 VSWGDVMVAFIWGP-VMAHBKNGSA-N 412.486 2.106 5 1 HEBF biogenic,in-vitro Cc1ccc2c(c1)C(=O)N([C@@H](CC(=O)O)c1cc3c(cc1[N+](=O)[O-])OCCO3)C2=O 1857745585 JDXZJRMEQYAIOR-AWEZNQCLSA-N 412.354 2.486 5 1 HEBF COC(=O)C1=C(Cn2ccnc2)N=C(C)[C@@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 169726953 VRCZVYLPAGZAIP-SJORKVTESA-N 412.402 2.266 5 1 HEBF CC[C@H](O)[C@@H]1CC[C@@H]2O[C@@]34CCC[N+]1([O-])[C@@H]2[C@H]3[C@H](C)/C(=C1/OC(=O)C(C)=C1OC)O4 66262963 GQHSQVDONZAQMO-UAMZZLTQSA-N 421.490 2.463 5 1 HEBF O=C(c1ccc2nc3ccc(Cl)cc3c(=O)n2c1)N1CCN(c2ncccn2)CC1 2965697 AASMMMBASXLUJV-UHFFFAOYSA-N 420.860 2.254 5 1 HEBF NS(=O)(=O)c1ccc(CNc2ncnc(NCc3ccccc3)c2[N+](=O)[O-])cc1 58650723 NWXVSHBDWSMVNZ-UHFFFAOYSA-N 414.447 2.256 5 1 HEBF in-vitro O=[N+]([O-])c1ncn(CCCCNS(=O)(=O)c2cc(Cl)c(Cl)s2)n1 299839955 UCXOECSUITUCKO-UHFFFAOYSA-N 400.269 2.313 5 1 HEBF COC(=O)C(=O)C[C@]1(c2ccccc2[N+](=O)[O-])Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434698 YRJIQUWJCDUCPG-SPLOXXLWSA-N 411.366 2.379 5 1 HEBF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@H](C)O)cc1 586937795 NNOALJQERFRKFM-ABKXIKBNSA-N 424.410 2.019 5 1 HEBF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)[C@H](C)O)cc1 586934580 HLBHBJCUPCLBOB-GTNSWQLSSA-N 420.447 2.189 5 1 HEBF O=c1cccc2[nH]c3c(nc1-2)[C@H]1c2c4n(c5ccccc5nc-4ccc2=O)[C@@H](C3)[C@@H]1O 2356341721 VENBJXZXZKLZOC-GANZUKCXSA-N 408.417 2.293 5 1 HEBF COc1cc(C2=NN(C(N)=O)[C@H](c3cccc([N+](=O)[O-])c3)C2)ccc1OCC(=O)O 28713558 GKCPPIRURMGBPP-HNNXBMFYSA-N 414.374 2.297 5 1 HEBF COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 100275631 HWDKDHPEMRUKBZ-ICCXJUOJSA-N 407.810 2.448 5 1 HEBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc([N+](=O)[O-])cc1)C(O)O 587573920 DOPLFBMNFRDMMY-UWJYYQICSA-N 409.350 2.468 5 1 HEBF O=C([C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 201443489 RJXICUZEPPISJH-LJQANCHMSA-N 415.471 2.333 5 3 HEBF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586937578 GLSCRRSRCXESMG-NSHDSACASA-N 407.459 2.432 5 1 HEBF O=[N+]([O-])c1cn2c(n1)S(=O)(=O)C[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2 40411257 HSHRKZOPSVBFPT-NSHDSACASA-N 407.326 2.063 5 1 HEBF CN1CCN(c2ccc(C(=O)O)cc2NC(=O)c2ccc(F)c([N+](=O)[O-])c2)CC1 1772597699 CUGSOCSAMZMPMR-UHFFFAOYSA-N 402.382 2.436 5 1 HEBF Cc1c2cc[n+]([C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 95564650 ZACUYABEJXXGMP-DWSDBCHFSA-O 409.462 2.084 5 1 HEBF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc4ccc([N+](=O)[O-])cc4s3)[C@H](C)[C@H]12 29217895 LXXUXQPGMBGBDG-XWTBWJTNSA-N 421.456 2.450 5 1 HEBF Cn1c(N2CCO[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc(-c2ccncc2F)cc1=O 113090662 TTZDTSBDHZDPRV-GOSISDBHSA-N 411.393 2.468 5 1 HEBF Nc1ccc(-c2ccc3ncc4ncc(=O)n(C5CCN(C=O)CC5)c4c3c2)cn1 1772579191 DRZMPRKWZDTDPF-UHFFFAOYSA-N 400.442 2.382 5 1 HEBF C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 13840013 HZOAMIFJTALGAB-NSHDSACASA-N 409.376 2.167 5 1 HEBF Cc1c2cc[n+]([C@@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 253637112 ZACUYABEJXXGMP-SQUZYCJSSA-O 409.462 2.084 5 1 HEBF O=C1NC(=O)[C@]2(CCCc3ccccc32)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1857582014 VUXUVHNPNINYJZ-GOSISDBHSA-N 401.400 2.067 5 1 HEBF COc1cc(N2C(=O)[C@H](OC(C)=O)[C@@H]2c2ccc([N+](=O)[O-])o2)cc(OC)c1OC 26173993 QGWQUBDHGWSRTN-DOTOQJQBSA-N 406.347 2.233 5 1 HEBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc([N+](=O)[O-])c2[nH]1 587266639 MFJJNNGRQXVLAU-CPFSXVBKSA-N 403.311 2.217 5 1 HEBF CN(CC(=O)OC[C@@H]1CCCN1C)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085834 KFEURHCBGQKOGJ-ZDUSSCGKSA-N 418.475 2.428 5 1 HEBF C[C@@H]1[C@H](O)N(C(=O)OC(C)(C)C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C 1857586480 DCMLUXUFLSRIBF-MJVIPROJSA-N 401.441 2.094 5 1 HEBF CC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)O)cc1 13863133 IGORRLWGPCGQPJ-LBPRGKRZSA-N 406.416 2.461 5 1 HEBF Nc1ccc(N)c2c1C(=O)c1cccc([N+](=O)[O-])c1[C@@]21NCCc2ccc(O)cc21 963329778 TWUCVMNQEIICAP-JOCHJYFZSA-N 402.410 2.447 5 1 HEBF Nc1nc(OCc2cc(Br)cs2)c([N+](=O)[O-])c(N2CCOCC2)n1 66074598 FREOARGPGHGJFR-UHFFFAOYSA-N 416.257 2.207 5 1 HEBF COC(=O)c1ccnc2[nH]c(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc12 587262944 JLNYASQMEUTFHZ-UHFFFAOYSA-N 424.417 2.136 5 1 HEBF COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CCC[C@@H](C(N)=O)C3)c21 13478397 ATUZXWVYAJNCKD-ZGSOTFDTSA-N 411.418 2.126 5 1 HEBF O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]1C(=O)Nc1ccc(Cl)cc1 1772640643 QCNLYAQBBDJDLH-CYBMUJFWSA-N 402.750 2.086 5 1 HEBF COC(=O)[C@H](CNCCc1ccc(OC)c(OC)c1)[C@H](O)c1ccc([N+](=O)[O-])cc1 98082745 RCISQOIOURZNPV-YLJYHZDGSA-N 418.446 2.267 5 1 HEBF COC/C=C1\C[N@@+]2([O-])[C@H]3C[C@@]45C(=Nc6cc7c(c(OC)c64)OCO7)OC[C@H]3[C@H]1C[C@@H]52 254042393 FQANJORSAXRKGA-UNWZEHHASA-N 412.442 2.414 5 1 HEBF CCCOC(=O)C1=C(C)NC(C)=C(C(=O)N(CC)CC)[C@@H]1c1ncc([N+](=O)[O-])n1C 40863993 YPYKKYZCBOMICN-KRWDZBQOSA-N 419.482 2.385 5 1 HEBF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587261279 AKIVYBPOOCGFBU-QEJZJMRPSA-N 422.507 2.254 5 1 HEBF CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCCOCCO 2483836 LYQKXBLLERCCAN-UHFFFAOYSA-N 421.406 2.015 5 1 HEBF COC(=O)C(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434699 YRJIQUWJCDUCPG-SZNDQCEHSA-N 411.366 2.379 5 1 HEBF O=C(Cc1ccc(-n2cncn2)cc1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 96938240 ZCMGXMNSLCGOCY-UHFFFAOYSA-N 420.473 2.105 5 1 HEBF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587261280 AKIVYBPOOCGFBU-SNPRPXQTSA-N 422.507 2.254 5 1 HEBF Cc1nc(CS(=O)(=O)c2ccc(Br)cc2)c([N+](=O)[O-])n1C[C@H](C)O 35075796 KJTUUKPZPHZDGA-VIFPVBQESA-N 418.269 2.217 5 1 HEBF COc1ccc(-c2ncc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)n2C)cc1F 45262088 OTRRYODOAXMXCA-ZDUSSCGKSA-N 403.370 2.317 5 1 HEBF CN(C)CCCNC(=O)c1ccc(N(C)C)c2c(=O)c3cccc([N+](=O)[O-])c3[nH]c12 1772641135 XIDOJJYDRAYWBF-UHFFFAOYSA-N 411.462 2.337 5 1 HEBF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc([N+](=O)[O-])cnc2[nH]1 587129037 QTPAQRSTNMEYGU-UHFFFAOYSA-N 407.312 2.290 5 1 HEBF O=C(NCc1ccc(OC(F)(F)F)cc1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 5974085 UHSCZJKUJBDLDD-NSHDSACASA-N 402.285 2.377 5 1 HEBF CCOC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C(C)N2CCO[C@@]12C 26948128 DALCWFLHLPLCKX-HLIPFELVSA-N 404.419 2.367 5 1 HEBF C[N+]1(C)[C@H]2C[C@@H](OC(=O)C(CO)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21 103242122 OXFZCLCZDFYMBY-XBDAJRGFSA-N 406.549 2.388 5 1 HEBF CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])cn1 27320777 HSGWPJRGUUDJPS-OAHLLOKOSA-N 402.432 2.399 5 1 HEBF Cc1c(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cccc1[N+](=O)[O-] 587261235 ZQACTLVVCSZJMV-UHFFFAOYSA-N 409.446 2.197 5 1 HEBF CN(CC(=O)OC[C@@H]1CCCN1C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085774 SMCIHLFICZNNBJ-HNNXBMFYSA-N 418.475 2.428 5 1 HEBF Cc1ccc2c(ccc3nc([C@@H](O)[C@H](O)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c32)n1 587273446 ULGXSYMSFJAZQF-ROUUACIJSA-N 407.386 2.361 5 1 HEBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(N)=O)c(C)c2c1 587621091 NNUNNLXEKAKQMM-UHFFFAOYSA-N 404.404 2.293 5 1 HEBF N[C@@H](CC[P@](=O)(O)[C@H](NCCc1ccccc1)c1cccc([N+](=O)[O-])c1)C(=O)O 1772655209 MRMZJDLBFJOMCZ-ROUUACIJSA-N 421.390 2.498 5 1 HEBF O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1857576675 CEQVSMPXPPAWJJ-GOSISDBHSA-N 401.400 2.067 5 1 HEBF Cn1c([N+](=O)[O-])cnc1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)(C)CC2)cc1 198917962 JGCSJCQQZDNHMR-UHFFFAOYSA-N 421.479 2.391 5 1 HEBF COc1cc([C@H]2OC(Cn3c([N+](=O)[O-])cnc3C)=NN2C(C)=O)cc(OC)c1OC 96929432 TUOTVVYWITYOBT-GOSISDBHSA-N 419.394 2.017 5 1 HEBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(N)=O)c2[nH]1 587267408 YPILRINIBXWFQZ-CLAHSXSESA-N 400.351 2.012 5 1 HEBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(CCO)cc2[nH]1 587264885 AFJZHUJSVPBMGU-DYZYQPBXSA-N 401.379 2.448 5 1 HEBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc([N+](=O)[O-])cc1)C(O)O 587573917 DOPLFBMNFRDMMY-LAUBAEHRSA-N 409.350 2.468 5 1 HEBF O=C(OC[C@H]1CCn2cc([N+](=O)[O-])nc2O1)N1CCN(c2ccc(F)cc2)CC1 1772651870 REHPKCDOHWWURJ-OAHLLOKOSA-N 405.386 2.040 5 1 HEBF C[C@H](CNC(=O)Cc1ccccc1Cl)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] 28265091 KHSBRNRFLXLALG-GDBMZVCRSA-N 421.881 2.325 5 1 HEBF O=c1cccc2[nH]c3c(nc1-2)[C@H]1c2c4n(c5ccccc5nc-4ccc2=O)[C@@H](C3)[C@H]1O 2356341722 VENBJXZXZKLZOC-LZBHBKQYSA-N 408.417 2.293 5 1 HEBF COC(=O)C1=C(C)OC(NC(C)=O)=C(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 96272068 RVZJHCOBQUFIHN-INIZCTEOSA-N 418.402 2.455 5 1 HEBF CN(C(=O)CCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1 95601790 KNMFJOVUYIDIOY-UHFFFAOYSA-N 419.459 2.171 5 1 HEBF C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 13840017 GMEHDIMSGTYDEE-NSHDSACASA-N 409.376 2.167 5 1 HEBF O=C(O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 17254210 VYWQPWLXSJFYMR-AWEZNQCLSA-N 417.334 2.107 5 1 HEBF C[C@@H]1[C@@H](O)N(C(=O)OC(C)(C)C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C 1857586479 DCMLUXUFLSRIBF-MISXGVKJSA-N 401.441 2.094 5 1 HEBF COC[C@@H](Cn1ccnc1[N+](=O)[O-])OC(=O)c1ccc(NC(=O)C(F)(F)F)cc1 40939002 JGCODPNHLJNTMW-GFCCVEGCSA-N 416.312 2.164 5 1 HEBF CCN(CC)C(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1ncc([N+](=O)[O-])n1C 40393145 USWXGELMYYLNOL-QGZVFWFLSA-N 419.482 2.383 5 1 HEBF C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OC[C@@H]1CCCN1C 82083976 RWHVJBXAPWQVQN-OLZOCXBDSA-N 418.475 2.474 5 1 HEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(I)cnc3[nH]2)[C@H]1C[N+](=O)[O-] 587263420 MODGJHSYGIHCNZ-QNSHHTMESA-N 414.203 2.223 5 1 HEBF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@H](C)O)cc1 586937802 NNOALJQERFRKFM-FVMDXXJSSA-N 424.410 2.019 5 1 HEBF O=C(CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)NCCCN1CCCC1 82084894 PTTNIZGPNKFMSL-UHFFFAOYSA-N 417.491 2.050 5 1 HEBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@@H]([C@](C)(O)COC(C)=O)O2 14682384 TWYDJBNJGIIVDL-HRAATJIYSA-N 400.383 2.278 5 1 HEBF biogenic O=C(CCCCCCC(=O)N1CC[N+]2(CCCC2)CC1)N1CC[N+]2(CCCC2)CC1 29466542 UKQCPEZKNHSHNH-UHFFFAOYSA-N 420.642 2.233 5 1 HEBF Cc1ccc(C(=O)CN(CCC(=O)O)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 36387403 BSGAEVTZOQPKLG-UHFFFAOYSA-N 406.416 2.252 5 3 HEBF COC(=O)C1=C(Cn2ccnc2)N=C(C)[C@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 169726954 VRCZVYLPAGZAIP-IRXDYDNUSA-N 412.402 2.266 5 1 HEBF N#Cc1c(N2CCNCC2)c2ccc(N3CCNCC3)cc2n2c1nc1ccccc12 213960105 KVYJDJYSXBPGHZ-UHFFFAOYSA-N 411.513 2.332 5 1 HEBF O=c1cccc2[nH]c3c(nc1-2)[C@H]1[C@H](O)[C@@H](C3)c2c3n1c1ccccc1nc-3ccc2=O 2356340929 BKYBNQLYGVMYEN-ITCUICILSA-N 408.417 2.293 5 1 HEBF CCCC1CCN(C(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 64502292 DMEMGULUQIRPMT-UHFFFAOYSA-N 412.464 2.194 5 1 HEBF O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 6934389 REQKQNBPTKCGHN-XHSDSOJGSA-N 407.492 2.254 5 1 HEBF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587205149 YHMHOLPIJVITPH-SNVBAGLBSA-N 412.244 2.312 5 1 HEBF CN(Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170072 NQPZXTQWIUAMFM-UHFFFAOYSA-N 409.355 2.339 5 1 HEBF CCCN(C(=O)CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1 95602489 RMPVLRJGGKATLL-UHFFFAOYSA-N 419.459 2.171 5 1 HEBF Cc1ccc2c(c1)C(=O)N([C@H](CC(=O)O)c1cc3c(cc1[N+](=O)[O-])OCCO3)C2=O 1857745586 JDXZJRMEQYAIOR-CQSZACIVSA-N 412.354 2.486 5 1 HEBF Cc1c2cc[n+]([C@@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 28757763 ZACUYABEJXXGMP-ZAEFWJOBSA-O 409.462 2.084 5 1 HEBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC[C@H](C)[N+](=O)[O-])[C@@H]1c1cccc([N+](=O)[O-])c1 169723497 XRDKNUNNNMOCOZ-GLZQIGESSA-N 419.390 2.425 5 1 HEBF Cc1c2cc[n+]([C@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 28757767 ZACUYABEJXXGMP-RJNJOQCESA-O 409.462 2.084 5 1 HEBF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586937565 GLSCRRSRCXESMG-LLVKDONJSA-N 407.459 2.432 5 1 HEBF COCCCNC(=O)c1cnc(NCCCOC)nc1-c1ccc([N+](=O)[O-])cc1 82147934 CDUDENZDPZPVDD-UHFFFAOYSA-N 403.439 2.267 5 1 HEBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc([N+](=O)[O-])c2[nH]1 587266644 MFJJNNGRQXVLAU-WPPNPWJKSA-N 403.311 2.217 5 1 HEBF CCN(CC)S(=O)(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 587272991 GIGRRUPFJYPMQA-UHFFFAOYSA-N 406.468 2.331 5 1 HEBF CSc1ccc(S(=O)(=O)NCc2nc3nc(Cl)c[nH]c-3n2)cc1[N+](=O)[O-] 586940642 BLURGNNCMGWBQY-UHFFFAOYSA-N 414.856 2.067 5 1 HEBF O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NCc1ccc(F)cc1Cl 263592016 RYLQXPNFGHUDOC-UHFFFAOYSA-N 421.772 2.484 5 3 HEBF O=[N+]([O-])c1cn2c(n1)S(=O)(=O)C[C@H](OCc1ccc(OC(F)(F)F)cc1)C2 40411255 HSHRKZOPSVBFPT-LLVKDONJSA-N 407.326 2.063 5 1 HEBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(CCO)cc3[nH]2)cc1[N+](=O)[O-] 586941284 RTVGDJBXGAXFRZ-UHFFFAOYSA-N 422.488 2.206 5 1 HEBF Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1ccccc1[N+](=O)[O-] 95920805 JXJHPQHLHQTQQI-UHFFFAOYSA-N 419.444 2.256 5 1 HEBF in-vitro CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)o1 586923722 SHPPZMNFHWDOMI-UHFFFAOYSA-N 414.403 2.452 5 1 HEBF C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1 26378093 CBDVBLJEDWGNLW-LLVKDONJSA-N 409.376 2.167 5 1 HEBF CCCCNc1ncc(C(=O)NCCNC(C)=O)c(-c2cccc([N+](=O)[O-])c2)n1 82135919 LGHYQDRSBDKSMT-UHFFFAOYSA-N 400.439 2.130 5 1 HEBF O=C1N[C@]2(CCCc3ccccc32)C(=O)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1857576676 CEQVSMPXPPAWJJ-SFHVURJKSA-N 401.400 2.067 5 1 HEBF CN(C)CCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085434 QRRAQOMLVUEIRE-INIZCTEOSA-N 418.475 2.428 5 1 HEBF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12 473150940 NQCZOJBXUQGEES-CBGDNZLLSA-N 410.382 2.485 5 1 HEBF CN(CC(=O)n1ncc2ccc(Cl)cc2c1=O)c1ccc([N+](=O)[O-])c2nonc12 587652774 JHLWNKUCACOUAC-UHFFFAOYSA-N 414.765 2.271 5 1 HEBF COc1ccc(-n2nc([N+](=O)[O-])c(=NC3CCN(Cc4ccccc4)CC3)n2O)cc1 263592015 RUUIUOXPZRGGRA-UHFFFAOYSA-N 424.461 2.393 5 3 HEBF Cn1nc(C(=O)O)c(I)c1-c1nc2c([N+](=O)[O-])cccc2[nH]1 587181692 ZSEYWCIDVJRMLF-UHFFFAOYSA-N 413.131 2.174 5 1 HEBF COC(=O)c1cc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2cc1OC 586920847 ZNDMYCUTEGQFHV-UHFFFAOYSA-N 405.388 2.240 5 1 HEBF CC(C)(C)OC(=O)[C@@H]1N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)[C@H]2S(=O)(=O)C1(C)C 29306971 FRRUYGOWVIUKOE-AWIOHZCQSA-N 422.459 2.064 5 1 HEBF CC(=O)N[C@@H](Cc1ccc(Oc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)cc1)C(=O)O 2043134 VZSQTOXQXPKQJX-ZDUSSCGKSA-N 405.319 2.133 5 1 HEBF in-vivo CN(C)CCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085435 QRRAQOMLVUEIRE-MRXNPFEDSA-N 418.475 2.428 5 1 HEBF COC(=O)[C@@H](CNCCc1ccc(OC)c(OC)c1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 98082746 RCISQOIOURZNPV-PXNSSMCTSA-N 418.446 2.267 5 1 HEBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(S(N)(=O)=O)c2[nH]1 587264675 JNAAFSHTMNFHEI-QMMMGPOBSA-N 406.380 2.200 5 1 HEBF O=[N+]([O-])c1cc(Cn2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc([N+](=O)[O-])c1 1772594282 SDOLKBOAQOXERE-UHFFFAOYSA-N 416.266 2.021 5 1 HEBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 586920197 FXTINAZZJWBUKD-UHFFFAOYSA-N 407.320 2.261 5 1 HEBF CCOC(=O)Nc1cc(N[C@H](C)[C@@H](O)COc2ccccc2)c([N+](=O)[O-])c(N)n1 27184566 LRZDAEYFDMIJMB-RISCZKNCSA-N 405.411 2.381 5 1 HEBF O=C(COc1ccc(Br)cc1)NCC(=O)Nc1cccc([N+](=O)[O-])c1 205569584 VYGOLXRKGJDNAR-UHFFFAOYSA-N 408.208 2.491 5 1 HEBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC[C@@H](C)[N+](=O)[O-])[C@@H]1c1cccc([N+](=O)[O-])c1 169723495 XRDKNUNNNMOCOZ-TYFHEEPYSA-N 419.390 2.425 5 1 HEBF C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@@H](C)O1 28868016 VXOHALDVGJOUCA-PHIMTYICSA-N 404.423 2.372 5 1 HEBF NS(=O)(=O)c1ccc(CCn2c(=O)c3ccccc3c3ccccc3c2=O)cc1 36651190 WDLRTSLTGWUYMU-UHFFFAOYSA-N 406.463 2.405 5 1 HEBF CCNC(=O)O[C@H](C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]12 73141252 HCDFBBUYDLBOER-OOVXXXAESA-N 421.431 2.145 5 1 HEBF CC(=O)CN1CCc2cc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc2C1 1857651292 RISKBPRPRSFQEL-UHFFFAOYSA-N 412.402 2.380 5 1 HEBF CN(C)C(=O)c1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587271012 WPTCBMSJFCVVPE-HNNXBMFYSA-N 410.434 2.072 5 1 HEBF CCOC(=O)C1=NN2C(=O)N(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C(=O)[C@]2(C)C1 40584200 CHEMNKWPUXHRFK-HNNXBMFYSA-N 414.296 2.464 5 1 HEBF O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 102768781 REQKQNBPTKCGHN-BZUAXINKSA-N 407.492 2.254 5 1 HEBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Cl)nc(Cl)c2[nH]1 587272097 JHWOTODLBXBJHD-RYUDHWBXSA-N 412.189 2.206 5 1 HEBF CN(C)S(=O)(=O)c1ccc(OCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 586932018 SJJPRVGWHGJTMT-UHFFFAOYSA-N 421.391 2.209 5 1 HEBF O=c1n(CCCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(O)c2n1CCCC2 169714871 CJXDCIMTVJRODS-UHFFFAOYSA-N 415.494 2.202 5 1 HEBF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)Cn2cnc([N+](=O)[O-])n2)cc1 299854653 AFGUOEGQVXDRJH-INIZCTEOSA-N 401.448 2.085 5 1 HEBF O=[N+]([O-])c1cnc2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc2c1 586942980 TUKMGUMNGCWLBZ-UHFFFAOYSA-N 418.254 2.169 5 1 HEBF CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)O)cc1 13840021 BFURYFRHUFCRAI-LBPRGKRZSA-N 421.431 2.217 5 1 HEBF CN(C)S(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 587091785 OJTZRHXBKCOXSF-UHFFFAOYSA-N 418.357 2.147 5 1 HEBF CN1CCN(CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)CC1 1772608899 PXWDXBKTGZLFPY-UHFFFAOYSA-N 408.440 2.283 5 1 HEBF C[C@]1(COCc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2S1(=O)=O 1772627608 CCIKOSWCPNPZHF-CQSZACIVSA-N 421.353 2.453 5 1 HEBF COc1cc(O)c2c(=O)c3ccc(O)c(OC)c3n(C)c2c1[C@H](O)[C@H]1OC1(C)C 14587140 LROWEGBUANNUOY-AZUAARDMSA-N 401.415 2.331 5 1 HEBF endogenous,in-man O=[N+]([O-])c1cn2c(n1)OC[C@@H](N[C@@H](CCO)c1ccc(OC(F)(F)F)cc1)C2 72180038 QXUQRZHDYLZKJY-AAEUAGOBSA-N 402.329 2.164 5 1 HEBF COc1ccc2[nH]c3c(C)c4cc[n+]([C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc4c(C)c3c2c1 95564722 DIPPXSJGIDURDU-JNRZULHCSA-O 423.489 2.387 5 1 HEBF COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@H](C)[N+](=O)[O-])[C@H]1c1cccc([N+](=O)[O-])c1 49781456 IRUIQJYIZGHJFQ-BTDLBPIBSA-N 419.390 2.211 5 1 HEBF N=c1ccn([C@@H]2O[C@H](COc3cccc4cc5ccccc5cc34)[C@H](O)[C@H]2O)c(O)n1 2356461712 RDDAGZVVIVZLQQ-FVTFTPSCSA-N 419.437 2.073 5 1 HEBF CCCc1n[nH]c2c(=O)n(NC(=O)c3ccncc3)c(-c3cccc([N+](=O)[O-])c3)nc12 49034123 YKBONPWEOJBDBQ-UHFFFAOYSA-N 419.401 2.426 5 1 HEBF O=[N+]([O-])c1cc([C@@H](NCC2CCCCC2)P(=O)(O)O)c2nc(O)c(O)nc2c1 13440497 XVEWYBDCUDKTQX-INIZCTEOSA-N 412.339 2.295 5 1 HEBF COc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)nn2)cc1F 66251924 SVLJUSWXBBRZRB-ZDUSSCGKSA-N 401.354 2.374 5 1 HEBF O=[N+]([O-])c1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1F 587182814 SUEVIMKGOTZWRD-UHFFFAOYSA-N 417.094 2.083 5 1 HEBF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 3591486 MEXHQKJCAWGZAO-UHFFFAOYSA-N 406.398 2.243 5 1 HEBF O=c1c(F)cn(Cc2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccccc1[N+](=O)[O-] 27993090 YTFOHWKGAUVJBD-UHFFFAOYSA-N 400.322 2.062 5 1 HEBF O=C(O)CCCCCNC(=O)c1cc(I)c(O)c([N+](=O)[O-])c1 64625198 YRSRBWYEXNTPBJ-UHFFFAOYSA-N 422.175 2.280 5 1 HEBF in-vitro CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(O)nc(O)nc2[nH]1 587054756 LTVFZTHOBAYLGF-JTQLQIEISA-N 406.786 2.453 5 1 HEBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2178319957 PCBGBJVZIRRQCO-YRYLYKBFSA-N 413.386 2.104 5 1 HEBF Cc1ccc(C(=O)CN(CCCC(N)=O)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 36387401 XDYPUNLLKOAODO-UHFFFAOYSA-N 419.459 2.042 5 3 HEBF CC(C)(C)OC(=O)[C@@H]1N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)[C@H]2S(=O)(=O)C1(C)C 29252184 FRRUYGOWVIUKOE-PXXUHZIESA-N 422.459 2.064 5 1 HEBF CCN1CCC[C@H]1CNC(=O)c1c(O)c([N+](=O)[O-])cc(Br)c1OC 27758199 SNGKPYYHFVHCDK-VIFPVBQESA-N 402.245 2.286 5 1 HEBF CCOC(=O)C1=C(NC(C)=O)OC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 96272073 PVYWBPDTCVVEHO-OAHLLOKOSA-N 404.375 2.066 5 1 HEBF CC[C@H](O)[C@@H]1CC[C@@H]2O[C@@]34CCC[N@+]1([O-])[C@@H]2[C@H]3[C@H](C)/C(=C1/OC(=O)C(C)=C1OC)O4 253995129 GQHSQVDONZAQMO-SKHVDNFHSA-N 421.490 2.463 5 1 HEBF CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)O)cc1 13863130 QOVYJOUFSXOMCC-LBPRGKRZSA-N 421.431 2.217 5 1 HEBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3nc(O)[nH]c3cc2[nH]1 587266237 JSKDICFFKORCKM-MLXNANBUSA-N 413.350 2.495 5 1 HEBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(S)nc(S)nc2[nH]1 587264961 BCHKAMQZWOMFMG-ANLVUFKYSA-N 423.436 2.281 5 1 HEBF COCCOC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(O)nc(O)nc2n1 587556664 YVYXGOWLXKGBHM-GXDHUFHOSA-N 412.358 2.074 5 1 HEBF O=C(O)Cn1cc(I)c(-c2nc3c([N+](=O)[O-])cccc3[nH]2)n1 587185797 OKPQESXPGVLNFO-UHFFFAOYSA-N 413.131 2.024 5 1 HEBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(N)=O)cc2[nH]1 587265431 DPKKAHAFIVCXCW-GLEZIHRCSA-N 400.351 2.012 5 1 HEBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(I)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263422 MODGJHSYGIHCNZ-SZEHBUNVSA-N 414.203 2.223 5 1 HEBF CN1CCN(c2ccc3nc(CS(=O)(=O)c4ccc([N+](=O)[O-])cc4)[nH]c3c2)CC1 586919898 AJXUKPPSQKKKQF-UHFFFAOYSA-N 415.475 2.197 5 1 HEBF C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OC[C@H]1CCCN1C 82083690 KBMAZOCBKJFRPY-IUODEOHRSA-N 418.475 2.474 5 1 HEBF CC(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 210466998 RTTPYSNZQBPXHF-UHFFFAOYSA-N 402.354 2.252 5 1 HEBF CCN1CCC[C@H]1CNC(=O)c1c(OC)c(O)cc(Br)c1[N+](=O)[O-] 64448447 LNTBHLCQBDWRLD-VIFPVBQESA-N 402.245 2.286 5 1 HEBF O=C1O[C@@H](CO)CN1c1ccc(N2CCN(c3ccc([N+](=O)[O-])s3)CC2)c(F)c1 28706950 ICBCMPQEEAVSPT-CYBMUJFWSA-N 422.438 2.440 5 1 HEBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3nc(O)[nH]c3cc2[nH]1 587266243 JSKDICFFKORCKM-ZIDLFYJRSA-N 413.350 2.495 5 1 HEBF COC(=O)c1cc2cc(S(C)(=O)=O)ccc2n1C(=O)c1ccc([N+](=O)[O-])cc1 13472846 YDUGYKOZHQFZSS-UHFFFAOYSA-N 402.384 2.428 5 1 HEBF Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-] 4701262 RWBCCWNGHNUCIL-FTUNRGFVSA-N 414.414 2.050 5 1 HEBF Cc1cc2c(cc1O)[C@](c1cccc([N+](=O)[O-])c1)(c1nccn1C)N[C@H](C(=O)O)C2 963490613 LEYQIXAFNRWTJB-LAUBAEHRSA-N 408.414 2.233 5 1 HEBF Cc1cc(C)c(Nc2nc(NCCn3ccc(O)nc3=O)ncc2[N+](=O)[O-])c(C)c1 1772644607 WEWUYVOKAMOVTQ-UHFFFAOYSA-N 411.422 2.428 5 1 HEBF C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OC[C@@H]1CCCN1C 82083975 RWHVJBXAPWQVQN-STQMWFEESA-N 418.475 2.474 5 1 HEBF O=C(NCCN1CCOCC1)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1 12967550 OANFPOKXGACZOV-UHFFFAOYSA-N 408.483 2.124 5 1 HEBF C[C@H]1CN(c2c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C[C@@H](C)O1 29127040 OLBFELXEJBQDQC-LPEHRKFASA-N 421.381 2.314 5 1 HEBF Cc1nc([N+](=O)[O-])cn1C[C@H](O)CSC(=S)N1CCN(c2ccccc2)CC1 1772593648 WYZRDABLQGBHNE-INIZCTEOSA-N 421.548 2.301 5 1 HEBF CC1(C)O[C@@H]2[C@@H](O1)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)O[C@@H]2[C@H]1COC(C)(C)O1 31872507 IYWKQRYSXLJSNK-GAGVYUBLSA-N 409.391 2.148 5 1 HEBF C[C@@]1(COC(=O)N2CCN(c3ccc(F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1 653733780 RTLOEYRCIWWCFS-SFHVURJKSA-N 405.386 2.040 5 1 HEBF CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)O)cc1 26376848 QOVYJOUFSXOMCC-GFCCVEGCSA-N 421.431 2.217 5 1 HEBF CC1(C)OC[C@H]([C@@H]2O[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@H]23)O1 254076582 IYWKQRYSXLJSNK-JRBZFYFNSA-N 409.391 2.148 5 1 HEBF COc1cc(N2C(=O)[C@@H](OC(C)=O)[C@H]2c2ccc([N+](=O)[O-])o2)cc(OC)c1OC 26174005 QGWQUBDHGWSRTN-WBVHZDCISA-N 406.347 2.233 5 1 HEBF CC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)O)cc1 26378454 IGORRLWGPCGQPJ-GFCCVEGCSA-N 406.416 2.461 5 1 HEBF CN1CCC[C@@H]1COC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084929 JINJSTDLTGPWPL-CQSZACIVSA-N 404.448 2.086 5 1 HEBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(O)nc(N)nc2[nH]1 587055308 OIOBXRKUNVGAIW-JTQLQIEISA-N 405.802 2.329 5 1 HEBF O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2178320018 YFYLXRMULYPXCN-OFAQMXQXSA-N 413.386 2.104 5 1 HEBF Cc1onc(C(=O)N2CCN(C(c3ccncc3)c3ccncc3)CC2)c1[N+](=O)[O-] 73280245 KCKZWZFHVKIOSJ-UHFFFAOYSA-N 408.418 2.229 5 1 HEBF CC(=O)c1c(-c2ccccc2)n(C2=NNC(=S)N[C@H]2N)c2ccc([N+](=O)[O-])cc12 169346638 MTGKLFSPXNQWPS-QGZVFWFLSA-N 408.443 2.343 5 1 HEBF O=C(O)COCCCC[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1F 28229799 LVEHTLZIWVMPRL-MJBXVCDLSA-N 418.443 2.261 5 1 HEBF COc1cc([C@@H]2OC(Cn3c([N+](=O)[O-])cnc3C)=NN2C(C)=O)cc(OC)c1OC 96929431 TUOTVVYWITYOBT-SFHVURJKSA-N 419.394 2.017 5 1 HEBF O=C(NCCO)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 96939875 MJHNXDLERMYNPK-UHFFFAOYSA-N 401.331 2.175 5 1 HEBF CCCCNS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 587262660 HGPWSKXKUSTFLX-QEJZJMRPSA-N 422.507 2.302 5 1 HEBF CC(=O)Oc1ccc2c(=O)c3c(sc4c(=O)c5ccc(O)cc5c(=O)c43)c(=O)c2c1 1857603374 UZXYKICQHVKYLS-UHFFFAOYSA-N 418.382 2.308 5 1 HEBF NCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 82081329 HHXBIPKPQDSPBV-CYBMUJFWSA-N 404.448 2.072 5 1 HEBF N=c1[nH]c2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc-2c(Cl)[nH]1 587270657 XXJBQVUBMPBXIJ-UHFFFAOYSA-N 401.814 2.298 5 1 HEBF COc1cc(O)c2c(=O)c3ccc(O)c(OC)c3n(C)c2c1[C@H](O)[C@@H]1OC1(C)C 14587136 LROWEGBUANNUOY-ICSRJNTNSA-N 401.415 2.331 5 1 HEBF endogenous,in-man COc1ccc([C@H]2[C@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 26169155 GSTOXUGHWJKGFJ-IRXDYDNUSA-N 404.375 2.078 5 1 HEBF COc1ccc(N2C(=O)NC(=O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 1857759299 GXUKHZXOLZSFKS-INIZCTEOSA-N 417.374 2.427 5 1 HEBF COC(=O)c1ccnc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 587265460 FGLPMAPOVGLWFE-ISVAXAHUSA-N 416.350 2.095 5 1 HEBF COCCN(C)CCNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 169349324 UIZOCZLARAMGLG-UHFFFAOYSA-N 404.470 2.309 5 1 HEBF CN(CCOCCNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 3787605 SYZVDDNPSVYYEO-UHFFFAOYSA-N 416.503 2.348 5 1 HEBF CN(CC(=O)OC[C@H]1CCCN1C)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085833 KFEURHCBGQKOGJ-CYBMUJFWSA-N 418.475 2.428 5 1 HEBF O=C1NC(=O)[C@@]2(CCCc3ccccc32)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1857582015 VUXUVHNPNINYJZ-SFHVURJKSA-N 401.400 2.067 5 1 HEBF CCOC(=O)Nc1cc(N[C@@H](C)[C@@H](O)COc2ccccc2)c([N+](=O)[O-])c(N)n1 27184560 LRZDAEYFDMIJMB-FZMZJTMJSA-N 405.411 2.381 5 1 HEBF C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OC[C@H]1CCCN1C 82083978 RWHVJBXAPWQVQN-QWHCGFSZSA-N 418.475 2.474 5 1 HEBF CN1CCC[C@H]1COC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084930 JINJSTDLTGPWPL-AWEZNQCLSA-N 404.448 2.086 5 1 HEBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(CCO)cc2[nH]1 587264884 AFJZHUJSVPBMGU-BTDLBPIBSA-N 401.379 2.448 5 1 HEBF COC(=O)[C@@H]1C[C@]23C(=O)[C@@H]4C[C@@H]5[C@@]2(CO)[C@H](CCC2=C3[C@@H]1CC2)C[N+]5([O-])C[C@H]4C 238742310 TZTYCQOYAYEALW-QMWUQEHPSA-N 401.503 2.197 5 1 HEBF CN1CCC[C@H]1COC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084979 RKTNCKRSYLLDCG-LBPRGKRZSA-N 404.448 2.086 5 1 HEBF COc1cc(NC(=O)[C@@H](C)N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)ccc1[N+](=O)[O-] 100274389 BCWBMOADFUDQBC-WQAKAFBOSA-N 407.810 2.448 5 1 HEBF CN(Cc1ccccc1[N+](=O)[O-])C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 38209654 BCMZWIONUYIXEX-LJQANCHMSA-N 403.389 2.484 5 1 HEBF COc1cc2c(cc1OC)[C@@]13CC[N@+]4(C)CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34 253644958 JCBFKEORAXPJSU-JPFUMXSBSA-N 409.506 2.254 5 1 HEBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCc1cnn2ccc(Cl)nc12 473126455 TZRFJDYUNMZHNZ-UHFFFAOYSA-N 409.855 2.463 5 1 HEBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587272518 NLQJLNBQODMRBP-KBPBESRZSA-N 412.736 2.436 5 1 HEBF Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 4701259 RWBCCWNGHNUCIL-SLDRDFCHSA-N 414.414 2.050 5 1 HEBF Cc1c2cc[n+]([C@@H]3O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 169302463 ZACUYABEJXXGMP-FLOZVUECSA-O 409.462 2.084 5 1 HEBF Cn1nccc1CS(=O)(=O)Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586922132 QXNXGJAGLTUEDI-UHFFFAOYSA-N 414.241 2.082 5 1 HEBF Nc1nc2c(nc(Br)n2[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c(=O)[nH]1 589859 OPVCBFODMXHLAG-JTQLQIEISA-N 405.212 2.298 5 1 HEBF C[C@H]1COc2c(N3CCSCC3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 29127087 YQXYSZOHSQGHER-QMMMGPOBSA-N 409.395 2.254 5 1 HEBF COc1cc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261171 XHLJKMBMHGCMKO-UHFFFAOYSA-N 406.420 2.406 5 1 HEBF COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@H]2c3ccccc3[C@H]1C2(c1ccccc1)[N+](=O)[O-] 2356823603 FBQLVSHKGNDFRA-BRSBDYLESA-N 409.394 2.201 5 1 HEBF COc1cc(O)c2c(=O)c3ccc(O)c(OC)c3n(C)c2c1[C@@H](O)[C@@H]1OC1(C)C 14587134 LROWEGBUANNUOY-QUCCMNQESA-N 401.415 2.331 5 1 HEBF endogenous,in-man O=[N+]([O-])c1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5 13487523 JSMYYNOYYAOCNX-LMDOGRNLSA-N 421.453 2.395 5 1 HEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@H]1C[N+](=O)[O-] 587261635 CXQNJPSLRKOONM-XBFCOCLRSA-N 410.434 2.283 5 1 HEBF O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 29126041 LHKSOGKNOXWLED-QGZVFWFLSA-N 416.865 2.369 5 1 HEBF Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2[nH]1 1857755368 YTFXWQWBBOEWEC-UHFFFAOYSA-N 424.446 2.098 5 1 HEBF CCOC(=O)CNC(=O)C(=O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1857772610 NPGXWPGGIJXGRL-UHFFFAOYSA-N 416.346 2.109 5 1 HEBF CC1(C)OC[C@H]([C@@H]2O[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@@H]23)O1 254076588 IYWKQRYSXLJSNK-RUCLQGLUSA-N 409.391 2.148 5 1 HEBF COc1ccc([C@@H]2[C@@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 26169143 GSTOXUGHWJKGFJ-IAGOWNOFSA-N 404.375 2.078 5 1 HEBF Nc1nc2c(nc(Br)n2[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(=O)[nH]1 3842942 OPVCBFODMXHLAG-SNVBAGLBSA-N 405.212 2.298 5 1 HEBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCO 4212868 FXPXREDPCIWPRJ-ROUUACIJSA-N 407.423 2.446 5 1 HEBF CC(=O)N(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 72142657 QGQONSZNJOKAQL-LBPRGKRZSA-N 400.313 2.500 5 1 HEBF CC[C@H](O)[C@@H]1CC[C@@H]2O[C@@]34CCC[N@@+]1([O-])[C@@H]2[C@H]3[C@H](C)/C(=C1/OC(=O)C(C)=C1OC)O4 253995135 GQHSQVDONZAQMO-ZPUPNMDISA-N 421.490 2.463 5 1 HEBF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)[C@H](C)O)cc1 586934578 HLBHBJCUPCLBOB-APPDUMDISA-N 420.447 2.189 5 1 HEBF CN(C)S(=O)(=O)c1cccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587092227 SMHVNBLBPPWIAJ-UHFFFAOYSA-N 418.357 2.147 5 1 HEBF CC1(C)O[C@H]2[C@@H](O1)[C@@H](COC(=O)c1ccc([N+](=O)[O-])cc1)O[C@@H]1OC(C)(C)O[C@@H]21 13152230 IKRMVZVASOBSSJ-JLHDYFKBSA-N 409.391 2.148 5 1 HEBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@H]([C@@](C)(O)COC(C)=O)O2 14682379 TWYDJBNJGIIVDL-IERDGZPVSA-N 400.383 2.278 5 1 HEBF biogenic O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 13560119 JRIJKAXXNHPPNJ-UHFFFAOYSA-N 400.479 2.426 5 1 HEBF COc1cc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261020 PSDLTGOTKVCCCN-UHFFFAOYSA-N 406.420 2.406 5 1 HEBF CN1CCN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)CC1 3017423 XNXJCGLTYUPQRF-UHFFFAOYSA-N 421.450 2.095 5 1 HEBF Nc1ncnc2nc3[nH]c(=S)[nH]c(=O)c3c(-c3ccc(N4CCOCC4)cc3)c12 40953059 WRGVVMYBUZETOO-UHFFFAOYSA-N 407.459 2.010 5 1 HEBF CN(C)S(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 587269553 FRMMJWUIDGTFCG-UHFFFAOYSA-N 404.404 2.113 5 1 HEBF Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1cccc([N+](=O)[O-])c1 95920696 UNSUKTMPEHFJHC-UHFFFAOYSA-N 419.444 2.256 5 1 HEBF in-vitro CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C(N)=O)cc2)c([N+](=O)[O-])c1 13765354 GQAWDJWRYSLPGJ-UHFFFAOYSA-N 407.434 2.490 5 1 HEBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC[C@H](C)[N+](=O)[O-])[C@@H]1c1cccc([N+](=O)[O-])c1 169723496 XRDKNUNNNMOCOZ-UDTVLSCZSA-N 419.390 2.425 5 1 HEBF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587204928 VBHQXPCGNGKJCJ-JTQLQIEISA-N 412.244 2.312 5 1 HEBF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@H](C)O)cc1 586937806 NNOALJQERFRKFM-XXFAHNHDSA-N 424.410 2.019 5 1 HEBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(N)=O)cc2[nH]1 587265430 DPKKAHAFIVCXCW-AYVTZFPOSA-N 400.351 2.012 5 1 HEBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3nc(O)[nH]c3cc2[nH]1 587266234 JSKDICFFKORCKM-KWKYVRJSSA-N 413.350 2.495 5 1 HEBF Cc1cc2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2cc1[N+](=O)[O-] 586941625 LSDDVXVCESJSRT-UHFFFAOYSA-N 404.404 2.029 5 1 HEBF CCN(CC)C(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]1c1ncc([N+](=O)[O-])n1C 40393146 USWXGELMYYLNOL-KRWDZBQOSA-N 419.482 2.383 5 1 HEBF CC[C@H](C)NC(=O)c1cnc(NCCNC(C)=O)nc1-c1cccc([N+](=O)[O-])c1 82135871 PNWFVWQQGDDFOT-LBPRGKRZSA-N 400.439 2.128 5 1 HEBF COC[C@H](Cn1ccnc1[N+](=O)[O-])OC(=O)c1ccc(NC(=O)C(F)(F)F)cc1 40420899 JGCODPNHLJNTMW-LBPRGKRZSA-N 416.312 2.164 5 1 HEBF N[C@@H](CC[P@](=O)(O)[C@H](NCc1ccccc1)c1cccc([N+](=O)[O-])c1)C(=O)O 1772604719 ARDYJJNVORDHRK-IRXDYDNUSA-N 407.363 2.456 5 1 HEBF C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 13840015 YAXHREPIKUCWQP-NSHDSACASA-N 409.376 2.167 5 1 HEBF Cc1nc(C)c(CN2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)nc1C 45496768 YGAYVJNKSQQNHE-UHFFFAOYSA-N 414.422 2.176 5 1 HEBF CCCCNS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587262666 HGPWSKXKUSTFLX-VHDGCEQUSA-N 422.507 2.302 5 1 HEBF O=C(O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1857630325 NIYZVEDHGAHHJK-INIZCTEOSA-N 419.415 2.085 5 1 HEBF O=C1[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2N1Cc1ccc([N+](=O)[O-])c(Cl)c1 96917679 GXXZSRQVEWYGIK-PXAZEXFGSA-N 401.806 2.370 5 1 HEBF NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 1772605000 RFXGRXMMURSVAC-UHFFFAOYSA-N 411.395 2.192 5 1 HEBF Cc1nc(CS(=O)(=O)c2ccc(Br)cc2)c([N+](=O)[O-])n1C[C@@H](C)O 35075795 KJTUUKPZPHZDGA-SECBINFHSA-N 418.269 2.217 5 1 HEBF COC(=O)c1ccnc2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc12 586925964 LBVDLNOACFVYPP-UHFFFAOYSA-N 410.795 2.377 5 1 HEBF COC(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2n1 587266876 PSZXOEVKZLZXSM-XLKFXECMSA-N 416.350 2.095 5 1 HEBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1 587160915 IHLQIXIYJRAIBC-UHFFFAOYSA-N 406.395 2.298 5 1 HEBF CO[C@H]1CO[C@@H]([n+]2ccc3c(C)c4[nH]c5ccc(O)cc5c4c(C)c3c2)[C@H](O)[C@H]1O 28762901 FMMABGZVEFXYEP-XSEFMFLKSA-O 409.462 2.350 5 1 HEBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(O)nc(S)nc3[nH]2)CC1 587270998 VWUQULAVFUYHIO-UHFFFAOYSA-N 400.420 2.275 5 1 HEBF COc1cc(C2=NN(C(N)=O)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)ccc1OCC(=O)O 28713539 AUZHNSJTZKSTRS-OAHLLOKOSA-N 414.374 2.297 5 1 HEBF O=C(COc1cc(=O)oc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 299818879 ALTKYIHHBZWGAW-UHFFFAOYSA-N 409.398 2.429 5 1 HEBF CCCCNS(=O)(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 587273907 PWJYKOSSDDFSKC-UHFFFAOYSA-N 406.468 2.379 5 1 HEBF CC(=O)N1CCN(C(=O)c2cnc(NCC3CC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 82149169 RXZAGFMSMAMVKQ-UHFFFAOYSA-N 424.461 2.178 5 1 HEBF NC(=O)c1cc(N2CCC(c3nc4cccc(C(N)=O)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587263116 MLDKFBYFPDAPDT-UHFFFAOYSA-N 408.418 2.053 5 1 HEBF COC/C=C1\C[N@@+]2([O-])[C@H]3C[C@@]45C(=Nc6cc7c(c(OC)c64)OCO7)OC[C@H]3[C@@H]1C[C@@H]52 1772597665 FQANJORSAXRKGA-KYFQTGOPSA-N 412.442 2.414 5 1 HEBF O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O 587937473 SGZWYMWYBYELSJ-SSDOTTSWSA-N 415.152 2.202 5 1 HEBF CSc1ccc(S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCO4)cc1[N+](=O)[O-] 586941168 PSOQIIPMTXWAKP-UHFFFAOYSA-N 422.444 2.400 5 1 HEBF COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1 653913876 KYEGUVDVMYZDDR-UHFFFAOYSA-N 406.464 2.156 5 1 HEBF Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)Cn2cnc([N+](=O)[O-])n2)cc1 299854655 AFGUOEGQVXDRJH-MRXNPFEDSA-N 401.448 2.085 5 1 HEBF COc1cc2c(cc1N1CCN(C)CC1)N(C(=O)Cc1cccc([N+](=O)[O-])c1)CC2 95607698 KQAZXGGJWOJJAY-UHFFFAOYSA-N 410.474 2.487 5 1 HEBF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587231219 MSRUTHDJAWEGEL-UHFFFAOYSA-N 411.418 2.419 5 1 HEBF O=C(O)c1nn(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1I 587185482 MTFBMEYRYOHARP-UHFFFAOYSA-N 413.131 2.019 5 1 HEBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCC[N+](C)(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 84466213 JXUOFXBSKGTXOG-LJQANCHMSA-O 418.470 2.252 5 1 HEBF CCOC(=O)Nc1cc(N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c(N)n1 27184596 ZARJVWHSYYNXFD-FVMDXXJSSA-N 419.394 2.403 5 1 HEBF CC1=C(c2ccc3nc(-c4cn(-c5cccc([N+](=O)[O-])c5)nn4)[nH]c3c2)NNC(=O)C1 587270292 USBZGLJAJSNHFC-UHFFFAOYSA-N 416.401 2.474 5 1 HEBF N[C@@H](CCOc1ccc(O)n1-c1cccc(Br)c1[N+](=O)[O-])C(=O)O 587936843 LLJIOSROGLDEIO-VIFPVBQESA-N 400.185 2.034 5 1 HEBF CCOC(=O)C1=NN2C(=O)N(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C(=O)[C@@]2(C)C1 40584202 CHEMNKWPUXHRFK-OAHLLOKOSA-N 414.296 2.464 5 1 HEBF O=C(N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)OCc1ccc(OC(F)(F)F)cc1 3822229 CNSIELLVDSSIAM-JTQLQIEISA-N 402.285 2.377 5 1 HEBF O=C(Cn1c(=O)c(O)nc2cc([N+](=O)[O-])c(-n3cccc3)cc21)NCc1ccccc1 26722898 WUMQMOYKBGWZGF-UHFFFAOYSA-N 419.397 2.117 5 1 HEBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(=O)O)cc3[nH]2)cc1[N+](=O)[O-] 586941798 WTHNBVIJXGNJQS-UHFFFAOYSA-N 422.444 2.370 5 1 HEBF C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@@H](C)O1 28868013 VXOHALDVGJOUCA-GHMZBOCLSA-N 404.423 2.372 5 1 HEBF O=C(Nc1ccccc1[N+](=O)[O-])c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O 103289478 UVFGOIBGKCRGCS-UHFFFAOYSA-N 420.381 2.408 5 1 HEBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3nc(O)[nH]c3cc2[nH]1 587266239 JSKDICFFKORCKM-NZFNHWASSA-N 413.350 2.495 5 1 HEBF NS(=O)(=O)c1ccc(Nc2ncnc(NCc3ccccc3)c2[N+](=O)[O-])cc1 64512508 HHEHNTATPIXYKN-UHFFFAOYSA-N 400.420 2.388 5 1 HEBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(S)nc(S)nc2[nH]1 587264967 BCHKAMQZWOMFMG-CDUCUWFYSA-N 423.436 2.281 5 1 HEBF O=C1c2cccnc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCN1CCOCC1 72123330 ZXDUXBQXPPRWPS-UHFFFAOYSA-N 420.425 2.238 5 1 HEBF CCCOC(=O)C1=C(C)NC(C)=C(C(=O)N(CC)CC)[C@H]1c1ncc([N+](=O)[O-])n1C 40863995 YPYKKYZCBOMICN-QGZVFWFLSA-N 419.482 2.385 5 1 HEBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(O)nc(N)nc2[nH]1 587055311 OIOBXRKUNVGAIW-SNVBAGLBSA-N 405.802 2.329 5 1 HEBF OCCOCCNCc1c2ccccc2c(CNCCOCCO)c2ccccc12 28762132 BZDXPPOWPSGAFW-UHFFFAOYSA-N 412.530 2.190 5 1 HEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](N[C@H](CCO)c1ccc(OC(F)(F)F)cc1)C2 72180037 QXUQRZHDYLZKJY-WCQYABFASA-N 402.329 2.164 5 1 HEBF Nc1ccc(N)c2c1C(=O)c1c([N+](=O)[O-])cccc1[C@@]21NCCc2ccc(O)cc21 963329115 LQBYRNYXQKHKNT-QFIPXVFZSA-N 402.410 2.447 5 1 HEBF C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2S1(=O)=O 1772630307 OYWZLUSXGSHJED-CYBMUJFWSA-N 407.326 2.315 5 1 HEBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c(Cl)c(Cl)cnc2[nH]1 587273956 XGNYDXNDQAOJDA-RYUDHWBXSA-N 412.189 2.206 5 1 HEBF CC(C)(C)OC(=O)N1[C@H](O)[C@H]2CCC[C@@H]2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1857594465 XBTVXKHLAVHPSI-SOUVJXGZSA-N 413.452 2.238 5 1 HEBF C[C@@H]1CN(c2c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn4c3c2OC[C@H]4C)C[C@@H](C)O1 29127041 OLBFELXEJBQDQC-OPRDCNLKSA-N 421.381 2.314 5 1 HEBF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1772599640 VTXZXQLJDNCVEE-SFHVURJKSA-N 415.427 2.365 5 1 HEBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@H]([C@](C)(O)COC(C)=O)O2 14682382 TWYDJBNJGIIVDL-IIBYNOLFSA-N 400.383 2.278 5 1 HEBF biogenic COC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1cccc([N+](=O)[O-])c1 587650992 YGINLEUMVMQLLE-UHFFFAOYSA-N 402.384 2.497 5 1 HEBF COc1ccc([C@@H]2[C@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 26169150 GSTOXUGHWJKGFJ-SJORKVTESA-N 404.375 2.078 5 1 HEBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(N)=O)c2[nH]1 587267409 YPILRINIBXWFQZ-RMLUDKJBSA-N 400.351 2.012 5 1 HEBF N[C@@H](CCc1nc2cnc(C(F)(F)F)[nH]c-2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270042 IHOHGVNPZRYWKG-JTQLQIEISA-N 409.328 2.130 5 1 HEBF O=C([C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 201443452 RJXICUZEPPISJH-IBGZPJMESA-N 415.471 2.333 5 3 HEBF CN(c1cccc(C(=O)O)c1)c1cc(ON[N+](=O)N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] 377797336 DNMAYDVUKXNXEJ-UHFFFAOYSA-O 421.346 2.023 5 1 HEBF NC(=O)c1cc(N2CCC(c3nc4cc([N+](=O)[O-])cnc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262956 JPJMQWISZRUZAD-UHFFFAOYSA-N 411.378 2.257 5 1 HEBF NCCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081426 KRFHNQYFMJYZTR-LBPRGKRZSA-N 404.448 2.072 5 1 HEBF COc1cc(N2C(=O)[C@H](OC(C)=O)[C@H]2c2ccc([N+](=O)[O-])o2)cc(OC)c1OC 26173997 QGWQUBDHGWSRTN-NVXWUHKLSA-N 406.347 2.233 5 1 HEBF COC(=O)C1=CO[C@@H](C)[C@@H]2C[N+]3([O-])CC[C@@]4(C(=O)Nc5cc(OC)ccc54)[C@@H]3C[C@H]12 13380867 QDZUYUXTMUWNGQ-FQGLILEUSA-N 414.458 2.084 5 1 HEBF COc1cc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2cn1 586940800 GKRIGISMMCPUCT-UHFFFAOYSA-N 409.449 2.075 5 1 HEBF Cc1noc2c(Cc3ccc([N+](=O)[O-])cc3)nn(Cc3n[nH]c(=S)n3C)c(=O)c12 84587753 LRWHVVRSHKMVRN-UHFFFAOYSA-N 413.419 2.031 5 1 HEBF CC(=O)NCCNc1ncc(C(=O)N2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135800 WXWBQDDNMJTRKM-UHFFFAOYSA-N 412.450 2.226 5 1 HEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](NC(=S)Nc1ccc(OC(F)(F)F)cc1)C2 82152355 BGMZDHDMIWQLSS-VIFPVBQESA-N 403.342 2.438 5 1 HEBF CS(=O)(=O)Nc1cccc(-n2c3nc(=O)[nH]c(=O)c-3cc3cc(Cl)ccc32)c1 96282691 FTLUHHGOIQDJRK-UHFFFAOYSA-N 416.846 2.204 5 1 HEBF CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c5ccc(N)cc5oc2c34)CC1 1772642688 HMVYKHZUOLZIEL-UHFFFAOYSA-N 410.405 2.370 5 1 HEBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(I)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263415 MODGJHSYGIHCNZ-FKTZTGRPSA-N 414.203 2.223 5 1 HEBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc([N+](=O)[O-])cc1)C(O)O 587573916 DOPLFBMNFRDMMY-DYESRHJHSA-N 409.350 2.468 5 1 HEBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587264302 FSKWJPHJGORWIH-QMMMGPOBSA-N 406.380 2.200 5 1 HEBF NCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 82081427 KRFHNQYFMJYZTR-GFCCVEGCSA-N 404.448 2.072 5 1 HEBF C[C@]1(COC(=O)N2CCN(c3ccc(F)cc3)CC2)CCn2cc([N+](=O)[O-])nc2O1 1772655015 XMWWVRVZKYRJBA-LJQANCHMSA-N 419.413 2.430 5 1 HEBF Cc1cc2c(cc1O)[C@@](c1cccc([N+](=O)[O-])c1)(c1nccn1C)N[C@H](C(=O)O)C2 963490616 LEYQIXAFNRWTJB-UWJYYQICSA-N 408.414 2.233 5 1 HEBF CN1CCN(c2ccc3nc(-c4cn(-c5cccc([N+](=O)[O-])c5)nn4)[nH]c3c2)CC1 587270149 QVJOCCVBJOFFCW-UHFFFAOYSA-N 404.434 2.471 5 1 HEBF CN1c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)nc2C(N)=NS1(=O)=O 26972864 KVYBVWCCDQFBAU-UHFFFAOYSA-N 410.415 2.119 5 1 HEBF COc1cc(N2C(=O)[C@@H](OC(C)=O)[C@@H]2c2ccc([N+](=O)[O-])o2)cc(OC)c1OC 26174001 QGWQUBDHGWSRTN-RDJZCZTQSA-N 406.347 2.233 5 1 HEBF O=C(O)CN1CN(Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2cc(Cl)ccc21 66259663 LBRWXUGQCDHVBP-UHFFFAOYSA-N 411.823 2.301 5 1 HEBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(N)=O)cc2[nH]1 587265429 DPKKAHAFIVCXCW-ANRSDYALSA-N 400.351 2.012 5 1 HEBF CCOC(=O)Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2c1=O 13755542 YOZIDDRDUVWGBY-UHFFFAOYSA-N 410.817 2.264 5 1 HEBF CNS(=O)(=O)c1ccc(CCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 586947333 WDOYIRJESOUJJK-UHFFFAOYSA-N 405.392 2.073 5 1 HEBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(N)=O)cc2[nH]1 587265432 DPKKAHAFIVCXCW-VXJOIVPMSA-N 400.351 2.012 5 1 HEBF CCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc([N+](=O)[O-])ccc1Cl)n2CCOC 6567120 ZQODLDQQUFBIIL-UHFFFAOYSA-N 407.814 2.171 5 3 HEBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])cnc2[nH]1 587265080 CFXKYEFKNLJPPW-CPFSXVBKSA-N 403.311 2.217 5 1 HEBF COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@H]2c3ccccc3[C@H]1[C@@]2(c1ccccc1)[N+](=O)[O-] 2356823604 FBQLVSHKGNDFRA-HUTLHSBBSA-N 409.394 2.201 5 1 HEBF C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-] 26380944 KHHZIWWJGSRWKH-LLVKDONJSA-N 409.376 2.167 5 1 HEBF CC1(C)Oc2cc(O)ccc2[C@@H]2C1=CCn1c(=O)n(-c3cccc([N+](=O)[O-])c3)c(=O)n12 72108045 GUJPIODPKHKNPU-GOSISDBHSA-N 422.397 2.115 5 1 HEBF COC(=O)[C@H](CNCCc1ccc(OC)c(OC)c1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 98082747 RCISQOIOURZNPV-XLIONFOSSA-N 418.446 2.267 5 1 HEBF COC(=O)c1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2n1 587263298 QXRCYHINSWUVIM-UHFFFAOYSA-N 424.417 2.136 5 1 HEBF COc1ccccc1-n1nnc(C)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 84759192 WFDZDASIFCHUKD-UHFFFAOYSA-N 422.445 2.455 5 1 HEBF CN(C)C(C)(C)COC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084974 KKORILVSOXMOFZ-UHFFFAOYSA-N 406.464 2.332 5 1 HEBF CCOC(=O)Nc1cc(N[C@H](C)[C@@H](O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c(N)n1 27184591 ZARJVWHSYYNXFD-JDNHERCYSA-N 419.394 2.403 5 1 HEBF CN1CCC[C@@H]1COC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084978 RKTNCKRSYLLDCG-GFCCVEGCSA-N 404.448 2.086 5 1 HEBF CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@H]1OCC[C@@]41O 95555334 XDEXZHMXBSLATQ-IFMALSPDSA-N 414.410 2.387 5 1 HEBF COc1cc2c(cc1OC)[C@]13CC[N+]4([O-])C/C(=C\CO)[C@H](C[C@@H]14)C1=CCC(=O)N2[C@@H]13 85509269 ICEFLCNOUJCINW-BTIZJQTCSA-N 410.470 2.026 5 1 HEBF biogenic,in-vitro O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O 587937475 SGZWYMWYBYELSJ-ZETCQYMHSA-N 415.152 2.202 5 1 HEBF C[C@H](CNC(=O)Cc1ccccc1Cl)NC[C@H](O)COc1ccccc1[N+](=O)[O-] 28265101 KHSBRNRFLXLALG-ZBFHGGJFSA-N 421.881 2.325 5 1 HEBF Cc1cc2[nH]c(-c3nc(O)nc(O)c3I)nc2cc1[N+](=O)[O-] 587181758 BZHIPNONNMGOAF-UHFFFAOYSA-N 413.131 2.252 5 1 HEBF Cn1nccc1CS(=O)(=O)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586921023 BCVFZCPOJZCAGV-UHFFFAOYSA-N 414.241 2.082 5 1 HEBF O=C(CO[C@@H]1COc2nc([N+](=O)[O-])cn2C1)Nc1ccc(OC(F)(F)F)cc1 59729544 PEFPMDAHYPUEME-NSHDSACASA-N 402.285 2.106 5 1 HEBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1cnc([N+](=O)[O-])n1 587868733 QSNCQVPRAFQYFU-UHFFFAOYSA-N 411.300 2.203 5 1 HEBF O=C(COc1ccc(/C=C2\SC(=O)NC2=O)cc1)Nc1ncc([N+](=O)[O-])s1 64415834 VKDSUFMTXWDFQR-YHYXMXQVSA-N 406.401 2.393 5 1 HEBF CC(=O)Oc1ccc2c(=O)c3sc4c(=O)c5cc(O)ccc5c(=O)c4c3c(=O)c2c1 208131816 QBDHSMNNOVSUDV-UHFFFAOYSA-N 418.382 2.308 5 1 HEBF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 586947162 XJFNCUHLSINWBS-CYBMUJFWSA-N 417.447 2.299 5 1 HEBF COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@@H](C)[N+](=O)[O-])[C@H]1c1cccc([N+](=O)[O-])c1 49089484 IRUIQJYIZGHJFQ-QGHHPUGFSA-N 419.390 2.211 5 1 HEBF COc1cnc2c(c1)C(=O)c1c-2n(CCCN(C)C)c(=O)c2cc([N+](=O)[O-])ccc12 84616562 SQIWDYYWJGLSON-UHFFFAOYSA-N 408.414 2.476 5 1 HEBF O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O 103289481 NAHWCKACZUCUMM-UHFFFAOYSA-N 420.381 2.408 5 1 HEBF Nc1ccc(N)c2c1C(=O)c1cccc([N+](=O)[O-])c1[C@]21NCCc2ccc(O)cc21 963329779 TWUCVMNQEIICAP-QFIPXVFZSA-N 402.410 2.447 5 1 HEBF CC(C)(C)OC(=O)N1[C@H](O)[C@@H]2CCC[C@@H]2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1857594462 XBTVXKHLAVHPSI-QLFBSQMISA-N 413.452 2.238 5 1 HEBF NC(=O)c1cc(N2CCC(c3nc4cncc([N+](=O)[O-])c4[nH]3)CC2)ccc1[N+](=O)[O-] 587263416 TZQZMZJCWPYFNJ-UHFFFAOYSA-N 411.378 2.257 5 1 HEBF Cc1c2cc[n+]([C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 95556207 ZACUYABEJXXGMP-TUZNVWAKSA-O 409.462 2.084 5 1 HEBF COc1ccc([C@H]2[C@H]([N+](=O)[O-])[C@@H](Cc3cnc[nH]3)N[C@]23C(=O)Nc2ccccc23)cc1 1857566006 HQKLMPVJHJOWTP-DYQZNNLLSA-N 419.441 2.209 5 1 HEBF COc1cc(OCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)ccc1[N+](=O)[O-] 587262254 PCEMVCKIOHYFNB-UHFFFAOYSA-N 406.420 2.309 5 1 HEBF CCOC(=O)CCOCCCOCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587568001 JGXVAIOWOAPHIK-UHFFFAOYSA-N 410.383 2.298 5 1 HEBF CC(=O)Oc1ccc2c(=O)c3c(sc4c(=O)c5cc(O)ccc5c(=O)c43)c(=O)c2c1 1857609799 GGCFPDVFZACIED-UHFFFAOYSA-N 418.382 2.308 5 1 HEBF Cn1nc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(I)c1C(=O)O 587181405 QITGZMWIAITHKE-UHFFFAOYSA-N 413.131 2.174 5 1 HEBF COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CCC[C@H](C(N)=O)C3)c21 3814471 ATUZXWVYAJNCKD-AWPPVZKDSA-N 411.418 2.126 5 1 HEBF O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]1C(=O)Nc1ccc(Cl)cc1 1772640644 QCNLYAQBBDJDLH-ZDUSSCGKSA-N 402.750 2.086 5 1 HEBF CCS(=O)(=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 586920589 NHUDJUXEOPDGMW-UHFFFAOYSA-N 409.445 2.239 5 1 HEBF COc1cncc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c12 586941202 RCHCSCYHTZJAKW-UHFFFAOYSA-N 409.449 2.075 5 1 HEBF CS(=O)(=O)c1cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc([N+](=O)[O-])c1Cl 586927605 UQFRVWNGHFYRTG-UHFFFAOYSA-N 403.207 2.003 5 1 HEBF C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1 13863126 DGWYWISGDDPOMU-NSHDSACASA-N 409.376 2.167 5 1 HEBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(N)=O)c2c1 587620899 JFRXCNJKXIYGRR-UHFFFAOYSA-N 404.404 2.293 5 1 HEBF O=C(CN1CCN(c2ccc(CO)c(Br)c2)CC1)c1ccc([N+](=O)[O-])o1 40422920 FRFVTKGEBDXYKH-UHFFFAOYSA-N 424.251 2.448 5 1 HEBF O=[N+]([O-])c1ccccc1OC[C@H](O)CNCCCS(=O)(=O)C1CCCCC1 169325892 IFUGCOJEXIXDCJ-OAHLLOKOSA-N 400.497 2.062 5 1 HEBF CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)O)cc1 27555404 JFWOFWRWKXGIMI-GFCCVEGCSA-N 406.416 2.461 5 1 HEBF COc1c(OC)c2oc(=O)c3c(OC)c(O)c(OC)c4oc(=O)c(c1OC)c2c43 238780062 HESFJLDPMLDBQL-UHFFFAOYSA-N 404.327 2.239 5 1 HEBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(CCO)cc2[nH]1 587264886 AFJZHUJSVPBMGU-QGHHPUGFSA-N 401.379 2.448 5 1 HEBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])cnc2[nH]1 587265100 CFXKYEFKNLJPPW-UHLUBPPHSA-N 403.311 2.217 5 1 HEBF O=[N+]([O-])c1cccc(CCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1 587270650 PLKBPGJGSGEREF-UHFFFAOYSA-N 416.459 2.277 5 1 HEBF O=C1NC(=O)C(=C(/C=C/c2cccc([N+](=O)[O-])c2)c2nc3ccccc3[nH]2)C(=O)N1 103183802 KKJMILFSDQCNJG-CMDGGOBGSA-N 403.354 2.304 5 1 HEBF CCOC(=O)CCN1C(=O)NC(C)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 1772614205 KRBHMFWNDJTJEU-QGZVFWFLSA-N 405.407 2.451 5 1 HEBF N[C@@H](CC[P@](=O)(O)[C@@H](NCCc1ccccc1)c1cccc([N+](=O)[O-])c1)C(=O)O 1772655210 MRMZJDLBFJOMCZ-ZWKOTPCHSA-N 421.390 2.498 5 1 HEBF O=C(Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3cccc3)cc21)Nc1ccccc1 26723481 BXBOBZOLOKVEOW-UHFFFAOYSA-N 405.370 2.027 5 1 HEBF O=C(O)Cn1c(=O)nc2n(-c3cccc(C(F)(F)F)c3)c3ccccc3nc-2c1=O 13755548 DXHSNROAUPNHGH-UHFFFAOYSA-N 416.315 2.151 5 1 HEBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 586920336 IVCZFDHRQCXVTA-UHFFFAOYSA-N 416.459 2.277 5 1 HEBF CN1CCN(CCCc2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)CC1 1772586144 NNYUPSJHQFALRX-UHFFFAOYSA-N 422.467 2.358 5 1 HEBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587272229 LPEHOOITPPQULH-KBPBESRZSA-N 414.271 2.061 5 1 HEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ncc(-c3ccc(F)cc3)cn1)C2 72123515 LGQNLLPXWUAVEF-HNNXBMFYSA-N 401.354 2.244 5 1 HEBF COC/C=C1\C[N@+]2([O-])[C@H]3C[C@@]45C(=Nc6cc7c(c(OC)c64)OCO7)OC[C@H]3[C@H]1C[C@@H]52 254042398 FQANJORSAXRKGA-YQRDQBTASA-N 412.442 2.414 5 1 HEBF COc1cc(C2=NN(C(N)=O)[C@H](c3ccc([N+](=O)[O-])cc3)C2)ccc1OCC(=O)O 28713540 AUZHNSJTZKSTRS-HNNXBMFYSA-N 414.374 2.297 5 1 HEBF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 587261281 AKIVYBPOOCGFBU-VHDGCEQUSA-N 422.507 2.254 5 1 HEBF CC[C@@H](O)[C@@H]1CC[C@H]2O[C@@]34CCC[N+]1([O-])[C@@H]2[C@H]3[C@H](C)/C(=C1\OC(=O)C(C)=C1OC)O4 95914160 GQHSQVDONZAQMO-SQUWUYDVSA-N 421.490 2.463 5 1 HEBF biogenic,in-vitro CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 29485270 KIUKUMHXOIOFDD-UHFFFAOYSA-N 416.456 2.150 5 1 HEBF O=C(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)NCCCN1CCCC1 82084842 UFPTYQLQVSGFGI-UHFFFAOYSA-N 417.491 2.050 5 1 HEBF O=C(Cc1ccc(-n2ccnn2)cc1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 96938235 HPBINBWXPHYRKE-UHFFFAOYSA-N 420.473 2.105 5 1 HEBF O=C(OC[C@@H]1CCn2cc([N+](=O)[O-])nc2O1)N1CCN(c2ccc(F)cc2)CC1 1772651869 REHPKCDOHWWURJ-HNNXBMFYSA-N 405.386 2.040 5 1 HEBF CN(C)CCNC(=O)c1ccc(NCCN(C)C)c2c(O)c3cc(O)ccc3nc12 13652296 IRZLOKVYNCZLGT-UHFFFAOYSA-N 411.506 2.064 5 1 HEBF CC(=O)NCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 82148407 YGSUTJKPBOWGJJ-UHFFFAOYSA-N 414.466 2.328 5 1 HEBF CC(=O)NCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc([N+](=O)[O-])c1 82135924 VRUSRSVHSWAHDG-UHFFFAOYSA-N 414.466 2.010 5 1 HEBF CC[C@H]1C[N+]2([O-])CC[C@@]3(C(=O)Nc4cccc(O)c43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 238780027 HCQVWPGBVSDMKL-YFZAKHCJSA-N 416.474 2.418 5 1 HEBF O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587227464 NLVIZEGSXHLMNG-UHFFFAOYSA-N 401.354 2.153 5 1 HEBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc([N+](=O)[O-])c2[nH]1 587266643 MFJJNNGRQXVLAU-UHLUBPPHSA-N 403.311 2.217 5 1 HEBF Cc1c2cc[n+]([C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 40554869 ZACUYABEJXXGMP-KESIKLHXSA-O 409.462 2.084 5 1 HEBF NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 98083955 FPBWRBBCLLFFBF-UHFFFAOYSA-N 414.852 2.022 5 1 HEBF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 40429948 SILJQAATWNVXPP-UHFFFAOYSA-N 406.398 2.243 5 1 HEBF COCCNc1ccc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1[N+](=O)[O-] 587266021 TZMPMJKVDISRDK-UHFFFAOYSA-N 419.463 2.447 5 1 HEBF C[C@@]1(COCc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2S1(=O)=O 1772627607 CCIKOSWCPNPZHF-AWEZNQCLSA-N 421.353 2.453 5 1 HEBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(CO)cc3[nH]2)cc1[N+](=O)[O-] 586940949 LHNZGIJFKBDEOM-UHFFFAOYSA-N 408.461 2.164 5 1 HEBF C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 27557422 GMEHDIMSGTYDEE-LLVKDONJSA-N 409.376 2.167 5 1 HEBF Nc1nc(N)c2c(Nc3ccc(S(N)(=O)=O)cc3)c3ccc(Cl)cc3nc2n1 28363980 YZNCBBGQWWCCJA-UHFFFAOYSA-N 415.866 2.387 5 1 HEBF CC1(C)OC[C@@H]([C@@H]2O[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@@H]23)O1 31872501 IYWKQRYSXLJSNK-JGFGOLAASA-N 409.391 2.148 5 1 HEBF CN(C)CCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085546 WDDFQRQOSNPSNW-MRXNPFEDSA-N 418.475 2.428 5 1 HEBF O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCCCS(=O)(=O)C1CCCCC1 169325891 IFUGCOJEXIXDCJ-HNNXBMFYSA-N 400.497 2.062 5 1 HEBF COCCOc1cc(=O)n(C)cc1C(=O)Nc1nsc2ccc([N+](=O)[O-])cc12 653746719 VKGYKXGDAKEGGR-UHFFFAOYSA-N 404.404 2.181 5 1 HEBF COC(=O)C1=C(Cn2ccnc2)N=C(C)[C@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 169726956 VRCZVYLPAGZAIP-DLBZAZTESA-N 412.402 2.266 5 1 HEBF CC[C@@H](O)[C@H]1CC[C@H]2O[C@@]34CCC[N+]1([O-])[C@@H]2[C@H]3[C@H](C)/C(=C1\OC(=O)C(C)=C1OC)O4 238764814 GQHSQVDONZAQMO-GNVNMEDBSA-N 421.490 2.463 5 1 HEBF CNS(=O)(=O)c1cc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)n(C)c1 586947019 IMAGIVAQGFSKKQ-UHFFFAOYSA-N 414.241 2.147 5 1 HEBF O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 201447106 PWNVFRJTCJKVSP-UHFFFAOYSA-N 409.489 2.373 5 3 HEBF COc1ccc([C@H]2[C@@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 26169148 GSTOXUGHWJKGFJ-DLBZAZTESA-N 404.375 2.078 5 1 HEBF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 586947163 XJFNCUHLSINWBS-ZDUSSCGKSA-N 417.447 2.299 5 1 HEBF COc1cc(O)c2c(=O)c3ccc(O)c(OC)c3n(C)c2c1[C@@H](O)[C@H]1OC1(C)C 14587138 LROWEGBUANNUOY-UYAOXDASSA-N 401.415 2.331 5 1 HEBF endogenous,in-man COC(=O)c1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cn1 587267021 SAXPWYBKGHXCHO-GLEZIHRCSA-N 416.350 2.095 5 1 HEBF O=C(Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 103199760 CPUCGATWMLEZTB-ZDUSSCGKSA-N 405.819 2.383 5 1 HEBF Cc1cc2nc3ccc(C(=O)NCCCCc4cnc[n+](C)c4)cn3c(=O)c2cc1C 27524690 UWLZCFFIRHNTTO-UHFFFAOYSA-O 416.505 2.437 5 1 HEBF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 586939451 OZSLJDVUURNQJE-LLVKDONJSA-N 407.459 2.432 5 1 HEBF O=[N+]([O-])c1cc([C@H](NCC2CCCCC2)P(=O)(O)O)c2nc(O)c(O)nc2c1 13440495 XVEWYBDCUDKTQX-MRXNPFEDSA-N 412.339 2.295 5 1 HEBF NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc12 13743211 KFNKMGLTVNEZJL-UHFFFAOYSA-N 423.473 2.305 5 1 HEBF COc1cc2c(cc1OC)[C@@]13CC[N+]4([O-])CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@@H]34 95099042 HHHQMKWPZAYIAE-HUYCKVNHSA-N 410.470 2.122 5 1 HEBF biogenic,in-vitro COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 18322480 JEKLWIHDPKZGFH-BRRVFRNMSA-N 404.419 2.416 5 1 HEBF CN(C)CCNC(=O)c1ccc2c3c1nc1ccc(N)cc1c3[nH]n2CCN(C)C 26987537 VOIKZGDHBGVINI-UHFFFAOYSA-N 407.522 2.106 5 1 HEBF O=C(O)Cn1c(=O)nc2n(-c3cc(Cl)cc(Cl)c3)c3ccccc3nc-2c1=O 13755547 JIWXFPPONFYOEV-UHFFFAOYSA-N 417.208 2.439 5 1 HEBF NC(=O)c1cc(N2CCC(c3nc4nc(Cl)c[nH]c-4n3)CC2)ccc1[N+](=O)[O-] 587262967 JRKFNYYYYAXKME-UHFFFAOYSA-N 401.814 2.349 5 1 HEBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(N)=O)c2[nH]1 587267410 YPILRINIBXWFQZ-RTHLEPHNSA-N 400.351 2.012 5 1 HEBF COC(=O)c1ccnc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 587265464 FGLPMAPOVGLWFE-SDBXPKJASA-N 416.350 2.095 5 1 HEBF CN(C)CCCCOC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084927 OPMRSLRXUHQTJP-UHFFFAOYSA-N 406.464 2.333 5 1 HEBF Cc1c2cc[n+]([C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 253637110 ZACUYABEJXXGMP-NAFWKYLOSA-O 409.462 2.084 5 1 HEBF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)[C@@H](C)O)cc1 586934579 HLBHBJCUPCLBOB-DIFFPNOSSA-N 420.447 2.189 5 1 HEBF CCOCO[C@H](C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]12 73407512 AGOJJSYYYDSDDZ-PJQXDXOGSA-N 408.432 2.410 5 1 HEBF C[C@@H](CO)N1CC[C@H](CNC(=O)OC(C)(C)C)Oc2c(cccc2[N+](=O)[O-])C1=O 95872387 JGZCMYAPOALXTD-QWHCGFSZSA-N 409.439 2.094 5 1 HEBF NC(=O)c1cc(N2CCC(c3nc4ccc(CCO)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263639 XVWSDTPZJYHMHZ-UHFFFAOYSA-N 409.446 2.489 5 1 HEBF CC1(C)OC[C@@H]([C@H]2O[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@@H]23)O1 31872505 IYWKQRYSXLJSNK-SVZOTFJBSA-N 409.391 2.148 5 1 HEBF CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCO 4212862 FXPXREDPCIWPRJ-MSOLQXFVSA-N 407.423 2.446 5 1 HEBF COC(=O)c1ccc(Cn2nc(O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)cc1 28655989 QDJOQDJWGUVCQX-UHFFFAOYSA-N 411.801 2.432 5 1 HEBF CC(C)(C)OC(=O)N1[C@H](O)[C@H]2CCC[C@H]2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1857594464 XBTVXKHLAVHPSI-RRFJBIMHSA-N 413.452 2.238 5 1 HEBF COC/C=C1\C[N+]2([O-])[C@H]3C[C@@]45C(=Nc6cc7c(c(OC)c64)OCO7)OC[C@H]3[C@H]1C[C@@H]52 71295678 FQANJORSAXRKGA-SOFUXURLSA-N 412.442 2.414 5 1 HEBF Nc1ccc(-c2ccc3ncc4ncc(=O)n(C5CCN(CCO)CC5)c4c3c2)cn1 1772612121 OBSXOJUODMUVSF-UHFFFAOYSA-N 416.485 2.218 5 1 HEBF CCOC(=O)C1=C(NC(C)=O)OC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 96272072 PVYWBPDTCVVEHO-HNNXBMFYSA-N 404.375 2.066 5 1 HEBF COCCNc1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1[N+](=O)[O-] 587266460 YHKHFJBWVVIHET-UHFFFAOYSA-N 419.463 2.447 5 1 HEBF O=C(c1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1)N1CCN(CCO)CC1 587160604 XNYWOHWIANGASR-UHFFFAOYSA-N 413.409 2.027 5 1 HEBF COc1ccc(C(=O)CN2C=C(I)C=C[C]2N)cc1[N+](=O)[O-] 2356865583 UCYHMMLXFBKGGH-UHFFFAOYSA-N 414.179 2.382 5 1 HEBF COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587447905 GEZVWKQJPDCYMA-HNAYVOBHSA-N 403.412 2.291 5 1 HEBF O=C(Nc1ccc([N+](=O)[O-])cc1)c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O 103289485 PFKIJEJCIOOXHU-UHFFFAOYSA-N 420.381 2.408 5 1 HEBF O=C(O)c1cccc(-n2nnnc2SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 169331584 BWUWRKIXFAKREK-UHFFFAOYSA-N 402.348 2.469 5 1 HEBF CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1 60325438 AYNVIPPTDMPZRW-UHFFFAOYSA-N 409.471 2.367 5 1 HEBF Nc1ccccc1CNC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084747 BDOSCQWYPUMMQK-UHFFFAOYSA-N 411.443 2.347 5 1 HEBF COc1cc2c(cc1OC)[C@@]13CC[N@@+]4(C)CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34 253644959 JCBFKEORAXPJSU-JZSROLLOSA-N 409.506 2.254 5 1 HEBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(-n4cnnn4)cc3[nH]2)CC1 587270522 LRSNATSTLFHTBC-UHFFFAOYSA-N 418.417 2.467 5 1 HEBF COc1cc(NC(=O)[C@@H](C)N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)ccc1[N+](=O)[O-] 5041861 BCWBMOADFUDQBC-ICCXJUOJSA-N 407.810 2.448 5 1 HEBF O=C1O[C@@]23C[C@@H](C=CC2=C1[C@@H](O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCC[C@@H]13 1772612618 MXNOARXDOFVDKT-TYMNFSKTSA-N 413.386 2.325 5 1 HEBF CC1(C)OC[C@H]([C@@H]2O[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@@H]23)O1 31872503 IYWKQRYSXLJSNK-HNLJFRNMSA-N 409.391 2.148 5 1 HEBF C[C@@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2S1(=O)=O 1772630308 OYWZLUSXGSHJED-ZDUSSCGKSA-N 407.326 2.315 5 1 HEBF COC/C=C1\C[N@+]2([O-])[C@H]3C[C@@]45C(=Nc6cc7c(c(OC)c64)OCO7)OC[C@H]3[C@@H]1C[C@@H]52 1772597664 FQANJORSAXRKGA-AMCIDDFUSA-N 412.442 2.414 5 1 HEBF C[C@@]1(COC(=O)N2CCN(c3ccc(F)cc3)CC2)CCn2cc([N+](=O)[O-])nc2O1 1772655014 XMWWVRVZKYRJBA-IBGZPJMESA-N 419.413 2.430 5 1 HEBF CCOC(=O)CN1C(=O)S/C(=C/c2coc3ccc([N+](=O)[O-])cc3c2=O)C1=O 40405350 ZLTYUPCFOTWQQL-WLRTZDKTSA-N 404.356 2.301 5 1 HEBF O=[N+]([O-])c1cncc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 586943270 YACSULOOCTYCPC-UHFFFAOYSA-N 418.254 2.169 5 1 HEBF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCO 4212859 FXPXREDPCIWPRJ-QZTJIDSGSA-N 407.423 2.446 5 1 HEBF CC1(C)N=C(N)N=C(N)N1c1cccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)c1 13446247 HULOZWMSHAKQEM-UHFFFAOYSA-N 410.438 2.102 5 1 HEBF COCCOc1ccc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1[N+](=O)[O-] 587264101 AIPAZMFUUIIDKV-UHFFFAOYSA-N 420.447 2.414 5 1 HEBF O=C1O[C@@]23C[C@@H](C=CC2=C1[C@H](O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCC[C@@H]13 1772571391 MXNOARXDOFVDKT-ODTDCLSCSA-N 413.386 2.325 5 1 HEBF COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2n1 586925058 DXHXZMCECWASNR-UHFFFAOYSA-N 410.795 2.377 5 1 HEBF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cncc([N+](=O)[O-])c2[nH]1 587128012 HCFIMBUXGYGYEK-UHFFFAOYSA-N 407.312 2.290 5 1 HEBF COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587232309 WIBRIIUHEHGHPX-UHFFFAOYSA-N 411.418 2.419 5 1 HEBF C[C@H]1[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)N(C(=O)OC(C)(C)C)[C@@H]1O 1857586478 DCMLUXUFLSRIBF-COPLHBTASA-N 401.441 2.094 5 1 HEBF COC(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2n1 587266874 PSZXOEVKZLZXSM-RMLUDKJBSA-N 416.350 2.095 5 1 HEBF C/C=C1\C[N+]2([O-])[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H](OC(C)=O)[C@]4(C[C@@H]12)c1ccccc1N(C)[C@H]34 59204194 LJZSPOANDHXTKX-NLRBGIHJSA-N 424.497 2.283 5 1 HEBF NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12 13743213 IHKXNASEHPDDLQ-UHFFFAOYSA-N 423.473 2.305 5 1 HEBF O=C(CCn1cnc([N+](=O)[O-])n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661936 UDKZKISSMZFPLD-UHFFFAOYSA-N 408.349 2.433 5 1 HEBF Cc1onc(-c2nc3cc(C(N)=O)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587078969 DDORTRULYMDFSR-UHFFFAOYSA-N 401.770 2.432 5 1 HEBF Cc1onc(-c2nc3c(O)nc(S)nc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080095 QWIKMLRZQNNKTM-UHFFFAOYSA-N 408.787 2.117 5 1 HEBF COc1ccc(Br)c2nc3c(C(=O)NS(C)(=O)=O)cccc3nc12 1857634884 FZGATWIIHKVTEX-UHFFFAOYSA-N 410.249 2.244 5 1 HEBF COc1ccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)nn2)cc1[N+](=O)[O-] 66259254 UHMZVPSMXUTDLI-UHFFFAOYSA-N 414.374 2.441 5 1 HEBF CC(=O)Nc1ccc(Oc2cc(ON[N+](=O)N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 377803800 CHMCTJDJUKDIGL-UHFFFAOYSA-O 421.346 2.308 5 1 HEBF COC(=O)c1cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2cn1 587262782 FXJJOWGXKWFLHP-UHFFFAOYSA-N 424.417 2.136 5 1 HEBF Cc1c2cc[n+]([C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 28757765 ZACUYABEJXXGMP-BXSZMTSGSA-O 409.462 2.084 5 1 HEBF COCCOc1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1[N+](=O)[O-] 587266017 TYGPDHNFLRJPLQ-UHFFFAOYSA-N 420.447 2.414 5 1 HEBF COC(=O)C(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432397 JVILSFMWJNCAGT-VFNWGFHPSA-N 411.366 2.379 5 1 HEBF CC(C)[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)O 13778455 KJEQWEFXIVEWJZ-MRXNPFEDSA-N 421.431 2.235 5 1 HEBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(CCO)cc2[nH]1 587264883 AFJZHUJSVPBMGU-BMLIUANNSA-N 401.379 2.448 5 1 HEBF O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101480511 FACKTZFIIFHBED-LALGLYKDSA-N 406.398 2.021 5 1 HEBF C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O 13795104 WZSFQQFIWVDJHH-UHFFFAOYSA-N 420.489 2.435 5 1 HEBF C[C@@H]1CC(=O)[C@H](Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@H]1C[N+](=O)[O-] 587261632 CXQNJPSLRKOONM-BNOWGMLFSA-N 410.434 2.283 5 1 HEBF COc1cc2c(cc1OC)[C@]13CC[N@+]4([O-])C/C(=C/CO)[C@H](C[C@@H]14)C1=CCC(=O)N2[C@@H]13 584879801 ICEFLCNOUJCINW-PNEBVVSCSA-N 410.470 2.026 5 1 HEBF in-vitro COC(=O)c1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cn1 587267019 SAXPWYBKGHXCHO-ANRSDYALSA-N 416.350 2.095 5 1 HEBF COC(=O)c1cccc(Cn2nc(O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)c1 28656000 DWRKYEGTECEBBW-UHFFFAOYSA-N 411.801 2.432 5 1 HEBF CN(C)S(=O)(=O)c1cccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587263567 CFUOSDBZPUVBNF-UHFFFAOYSA-N 405.392 2.220 5 1 HEBF COc1ccc(N2C(=O)NC(=O)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 1857759300 GXUKHZXOLZSFKS-MRXNPFEDSA-N 417.374 2.427 5 1 HEBF O=C(Cc1ccc(-n2nccn2)cc1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 96938234 VZKXLHNCGQJCRD-UHFFFAOYSA-N 420.473 2.105 5 1 HEBF CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](Nc2ncccc2[N+](=O)[O-])[C@H]1NC(C)=O 1857546517 IXXDEBWCOLBJSF-USXIJHARSA-N 406.439 2.264 5 1 HEBF O=C(c1cn(Cc2ccc(F)cc2)nn1)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 1857629962 HXANIRRDYKCQTH-UHFFFAOYSA-N 407.365 2.245 5 1 HEBF O=C(OCC(=O)N(Cc1ccc(O)cc1)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])o1 66259356 ISAXSRPTABPIIZ-OAHLLOKOSA-N 404.375 2.258 5 1 HEBF O=C1O[C@@H](c2ccccc2)C(=O)N1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 103209641 PXVHGFIFWDBSPW-IBGZPJMESA-N 410.430 2.437 5 1 HEBF O=[N+]([O-])c1cc(CSc2nnc(CCCN3CCOCC3)o2)cc([N+](=O)[O-])c1 1772625414 NPRUEMBQGMDVPL-UHFFFAOYSA-N 409.424 2.443 5 1 HEBF O=C([C@@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 201443553 PHRQMTHGCWQQJX-SFHVURJKSA-N 415.471 2.333 5 3 HEBF CC1(C)O[C@H]2[C@H]([C@H]3COC(C)(C)O3)O[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2O1 254076577 IYWKQRYSXLJSNK-JLHDYFKBSA-N 409.391 2.148 5 1 HEBF C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@H](C)O1 28868020 VXOHALDVGJOUCA-QWRGUYRKSA-N 404.423 2.372 5 1 HEBF CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc([N+](=O)[O-])c1OC 27730700 OLHVEWAGELOGNS-VIFPVBQESA-N 402.245 2.286 5 1 HEBF Cc1c2cc[n+]([C@@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 253637114 ZACUYABEJXXGMP-XEJRSTSVSA-O 409.462 2.084 5 1 HEBF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587205148 YHMHOLPIJVITPH-JTQLQIEISA-N 412.244 2.312 5 1 HEBF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@](CO)(c2ccc([N+](=O)[O-])cc2)N1 962634993 NMJHXPWEPWKJBB-DYVFJYSZSA-N 412.320 2.328 5 1 HEBF CCOC(=O)Nc1cc(N[C@@H](C)[C@@H](O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c(N)n1 27184586 ZARJVWHSYYNXFD-XXFAHNHDSA-N 419.394 2.403 5 1 HEBF Cn1nc(C(=O)O)c(I)c1-c1nc2cc([N+](=O)[O-])ccc2[nH]1 587181253 PLEXUWHDPYLRLR-UHFFFAOYSA-N 413.131 2.174 5 1 HEBF CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)O)cc1 13840027 JFWOFWRWKXGIMI-LBPRGKRZSA-N 406.416 2.461 5 1 HEBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587271654 DXQBRNWZRSMMIZ-KBPBESRZSA-N 421.753 2.066 5 1 HEBF COC(=O)c1ccnc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 587265458 FGLPMAPOVGLWFE-AMIZOPFISA-N 416.350 2.095 5 1 HEBF COC(=O)c1cc(CN[C@@H]2COc3nc([N+](=O)[O-])cn3C2)ccc1OC(F)(F)F 72179493 SLSMRIXYPUYUKX-JTQLQIEISA-N 416.312 2.027 5 1 HEBF COc1cc2c(cc1OC)[C@]13CC[N+]4([O-])CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34 103578086 HHHQMKWPZAYIAE-VGMOQOPHSA-N 410.470 2.122 5 1 HEBF biogenic,in-vitro CC(=O)NCCNC(=O)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135920 HIEWDFMEEUJYDA-UHFFFAOYSA-N 412.450 2.272 5 1 HEBF CCCCOC(=O)COC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084928 IWSKUOYDBMUUIE-UHFFFAOYSA-N 421.431 2.335 5 1 HEBF CC(=O)NCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 82134950 KDDVNEDUPOCYPA-UHFFFAOYSA-N 414.466 2.328 5 1 HEBF NC(=O)CCCn1c(C(=O)c2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc2[n+]1[O-] 36383478 QCYWOBRIRMXWBB-UHFFFAOYSA-N 402.794 2.333 5 3 HEBF NC(=O)c1cc(N2CCC(c3nc4cnc(Cl)[nH]c-4n3)CC2)ccc1[N+](=O)[O-] 587263693 YXPKLPIZMAOYBG-UHFFFAOYSA-N 401.814 2.349 5 1 HEBF CC(C)(C)OC(=O)N1[C@H](O)[C@@H]2CCC[C@H]2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1857594463 XBTVXKHLAVHPSI-RBSFLKMASA-N 413.452 2.238 5 1 HEBF O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cc(-c3ccc4c(c3)OCO4)no2)cc1 1857654905 RHXFSBGGCMUQAL-UHFFFAOYSA-N 403.372 2.457 5 1 HEBF N=c1ccn([C@@H]2O[C@H](COc3cccc4cc5ccccc5cc34)[C@H](O)[C@@H]2O)c(O)n1 2356461714 RDDAGZVVIVZLQQ-RYFAJOAYSA-N 419.437 2.073 5 1 HEBF Cc1c2cc[n+]([C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 40554871 ZACUYABEJXXGMP-PHXVIBLSSA-O 409.462 2.084 5 1 HEBF C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OC[C@H]1CCCN1C 82083687 KBMAZOCBKJFRPY-SWLSCSKDSA-N 418.475 2.474 5 1 HEBF NC(=O)c1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1 587262505 BBVXFBYAESUOKW-UHFFFAOYSA-N 408.418 2.053 5 1 HEBF Cc1onc(C(=O)N2CCN(C(c3ccccn3)c3ccccn3)CC2)c1[N+](=O)[O-] 73280243 MSUKHPZXZSIOTM-UHFFFAOYSA-N 408.418 2.229 5 1 HEBF O=C1CCN(Cc2ccc(CN=c3nc(O)c4nc5ccccc5nc4[nH]3)cc2)CC1 1857644258 IIDFGHVKZGZEDX-UHFFFAOYSA-N 414.469 2.478 5 1 HEBF CC1(C)O[C@@H]2O[C@@H](COC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 13152227 IKRMVZVASOBSSJ-BWJWTDLKSA-N 409.391 2.148 5 1 HEBF COc1ccc(OC)c(NC(=O)CS(=O)(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c1 61804966 DPPKNGCWZYUHCH-UHFFFAOYSA-N 424.431 2.174 5 1 HEBF Cc1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 1857764915 NFRWKKADFHPMOZ-UHFFFAOYSA-N 420.447 2.318 5 1 HEBF CCOC(=O)Nc1cc(N[C@H](C)[C@H](O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c(N)n1 27184601 ZARJVWHSYYNXFD-ABKXIKBNSA-N 419.394 2.403 5 1 HEBF COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc4c(C)c3c2c1 95564723 DIPPXSJGIDURDU-CRRGZETMSA-O 423.489 2.387 5 1 HEBF O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1=S 40974755 KYVXINMFFGFWQZ-UHFFFAOYSA-N 400.372 2.386 5 1 HEBF O=C([C@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 201443590 PHRQMTHGCWQQJX-GOSISDBHSA-N 415.471 2.333 5 3 HEBF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1772599639 VTXZXQLJDNCVEE-GOSISDBHSA-N 415.427 2.365 5 1 HEBF CCOC(=O)CCN1C(=O)NC(C)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 1772614204 KRBHMFWNDJTJEU-KRWDZBQOSA-N 405.407 2.451 5 1 HEBF COC(=O)C1=C(C)NC(C)=C(C(=O)OC[C@@H](C)[N+](=O)[O-])[C@@H]1c1cccc([N+](=O)[O-])c1 49089485 IRUIQJYIZGHJFQ-BMLIUANNSA-N 419.390 2.211 5 1 HEBF C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OC[C@@H]1CCCN1C 82083679 KBMAZOCBKJFRPY-WFASDCNBSA-N 418.475 2.474 5 1 HEBF O=C(c1cc(N2CCOCC2)ccc1[N+](=O)[O-])n1ncc2ccc(Cl)cc2c1=O 587653134 QHNCNRXMTJWUQL-UHFFFAOYSA-N 414.805 2.483 5 1 HEBF CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@H]1NC(C)=O 1857602355 GLHUBIFFBLILQD-LZLYRXPVSA-N 406.439 2.264 5 1 HEBF CC[C@@H](C)NC(=O)c1cnc(NCCNC(C)=O)nc1-c1cccc([N+](=O)[O-])c1 82135870 PNWFVWQQGDDFOT-GFCCVEGCSA-N 400.439 2.128 5 1 HEBF O=C(O)c1nn(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1I 587185010 HWOFLUQKLGLQPA-UHFFFAOYSA-N 413.131 2.019 5 1 HEBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc([N+](=O)[O-])c2[nH]1 587266642 MFJJNNGRQXVLAU-FUXBKTLASA-N 403.311 2.217 5 1 HEBF C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1 26380947 DGWYWISGDDPOMU-LLVKDONJSA-N 409.376 2.167 5 1 HEBF COC(=O)C1=C(C)OC(NC(C)=O)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 96272069 RVZJHCOBQUFIHN-MRXNPFEDSA-N 418.402 2.455 5 1 HEBF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587204929 VBHQXPCGNGKJCJ-SNVBAGLBSA-N 412.244 2.312 5 1 HEBF CC1=C(c2ccc3nc([C@@H](N)Cc4ccc(O)c([N+](=O)[O-])c4)[nH]c3c2)NNC(=O)C1 587264610 OFIJRRRAPOTBJU-ZDUSSCGKSA-N 408.418 2.175 5 1 HEBF CS(=O)(=O)c1ccc(CCN2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 95560108 VEFIVNQPGPGWPJ-UHFFFAOYSA-N 417.531 2.401 5 1 HEBF COc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Cl 587271862 IRTDIXCUXZCZEN-GJZGRUSLSA-N 406.782 2.166 5 1 HEBF O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)/c1=N/Cc1ccccc1Cl 100560865 RYGAZRVOWWHOFM-KNTRCKAVSA-N 403.782 2.345 5 1 HEBF COc1nccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c12 586941962 YQNZGGNHHOHLBY-UHFFFAOYSA-N 409.449 2.075 5 1 HEBF COc1ccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2n1 586940829 HGWVEDWFVPFRQW-UHFFFAOYSA-N 409.449 2.075 5 1 HEBF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@@H]([C@@](C)(O)COC(C)=O)O2 14682381 TWYDJBNJGIIVDL-KKSFZXQISA-N 400.383 2.278 5 1 HEBF biogenic O=C1OCC2=C1[C@@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)c1c(-c3ccccc3)n[nH]c1N2 299868375 RGMCERWDTLEBMB-OAQYLSRUSA-N 415.365 2.460 5 1 HEBF CC1(C)OC[C@H]([C@@H]2O[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3OC(C)(C)O[C@H]23)O1 254076585 IYWKQRYSXLJSNK-LBKYZSNHSA-N 409.391 2.148 5 1 HEBF COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1N1CCN(C)CC1 13782737 YKOVOAVRNHJBEL-UHFFFAOYSA-N 406.464 2.156 5 1 HEBF COc1cc2c(cc1OC)[C@]13CC[N+]4([O-])CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@@H]34 43191356 HHHQMKWPZAYIAE-HBRQZTIQSA-N 410.470 2.122 5 1 HEBF biogenic,in-vitro Cc1c(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cccc1[N+](=O)[O-] 587261730 HJNADUODYSIUKN-UHFFFAOYSA-N 402.432 2.467 5 1 HEBF CCOC(=O)Nc1cc(N[C@H](C)[C@H](O)COc2ccccc2)c([N+](=O)[O-])c(N)n1 27184580 LRZDAEYFDMIJMB-BXUZGUMPSA-N 405.411 2.381 5 1 HEBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cn(-c3ccc(C(F)(F)F)cc3)nn1)C2 45245501 SXQNCGMUDGCUIX-ZDUSSCGKSA-N 410.312 2.369 5 1 HEBF CN(C)CCNCc1nn2c3ccccc3c(=O)c3c(NCCN(C)C)ccc1c32 102157341 MRPMEJHBODPYGL-UHFFFAOYSA-N 406.534 2.063 5 1 HEBF Cc1ccc(Cn2cc(C(=O)c3cn(Cc4ccc([N+](=O)[O-])cc4)nn3)nn2)cc1 1857629020 NFDCYOZJVLLKBT-UHFFFAOYSA-N 403.402 2.414 5 1 HEBF O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 102768779 REQKQNBPTKCGHN-OAGGEKHMSA-N 407.492 2.254 5 1 HEBF O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 169345987 GVZPZFHITCFLLK-UHFFFAOYSA-N 416.346 2.350 5 1 HEBF O=C(O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 6002478 VYWQPWLXSJFYMR-CQSZACIVSA-N 417.334 2.107 5 1 HEBF CNC(=O)NCCNC(=O)c1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(OC)cc12 1772601282 FXXHLJTZPAOXKB-UHFFFAOYSA-O 420.493 2.275 5 1 HEBF Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1ccc([N+](=O)[O-])cc1 96905489 MJQJZIFYLHKLRH-UHFFFAOYSA-N 419.444 2.256 5 1 HEBF CSc1ccc(S(=O)(=O)NCc2nc3c(Cl)ncnc3[nH]2)cc1[N+](=O)[O-] 586942098 ZZNJFZDWCBDJJW-UHFFFAOYSA-N 414.856 2.115 5 1 HEBF O=C(O)c1cn(C2CC2)c2cc(N3CCC4(CC3)OCCO4)c([N+](=O)[O-])cc2c1=O 40876038 BEZIQVBLVATTSI-UHFFFAOYSA-N 415.402 2.286 5 1 HEBF CNc1nnc(Cn2nc(Cc3ccc([N+](=O)[O-])cc3)c3onc(C)c3c2=O)s1 84587771 QUAKYPDJWYQIGT-UHFFFAOYSA-N 413.419 2.133 5 1 HEBF CCOC(=O)CC[C@H](NSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OCC 95595331 BWSBTAAOLDIUPI-NSHDSACASA-N 401.397 2.375 5 1 HEBF COC(=O)C1=CO[C@@H](C)[C@@H]2C[N+]3([O-])CC[C@@]4(C(=O)Nc5cc(OC)ccc54)[C@H]3C[C@H]12 238739151 QDZUYUXTMUWNGQ-LZKIWHJFSA-N 414.458 2.084 5 1 HEBF