smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cc(C(=O)Nc2cc(Cl)cc3cccnc23)ccc1[N+](=O)[O-] 12869914 BNIKPUJYDSUVQZ-UHFFFAOYSA-N 341.754 4.357 5 40 EIBB O=[N+]([O-])c1ccc2c(c1)nc(S)n2-c1cccc(C(F)(F)F)c1 3289670 DDYSDPWKGASINW-UHFFFAOYSA-N 339.298 4.241 5 40 EIBB O=C(Nc1ccccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 6615682 RMAVFYSGWGZJKI-UHFFFAOYSA-N 345.786 4.101 5 40 EIBB CCc1ccc2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2c1 12021525 HJQQSEJDJRTSIJ-UHFFFAOYSA-N 327.365 4.019 5 40 EIBB CCn1c([C@@H](C)Nc2ccc(F)cc2[N+](=O)[O-])nc2ccccc21 65947329 VKOQEJSXFFMIGX-LLVKDONJSA-N 328.347 4.277 5 40 EIBB CCc1ccc(O[C@@H](CC)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 222885066 OHEKBVYLHVJADC-SFHVURJKSA-N 342.395 4.262 5 40 EIBB CN(C)C[C@H](O)c1ccc2cc(Br)c3ccccc3c2c1 1592040 BFEIFQPDMDCIMF-SFHVURJKSA-N 344.252 4.351 5 40 EIBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2ccccc2c1 2651202 OUBIURMWCADMLS-UHFFFAOYSA-N 338.388 4.479 5 40 EIBB O=C(/C=C/c1ccccc1[N+](=O)[O-])OCc1c(F)cccc1Cl 3414781 UFHRRNNIAHGASX-CMDGGOBGSA-N 335.718 4.144 5 40 EIBB Cc1c(C(=O)N[C@H](CC(C)C)c2ccccc2)cccc1[N+](=O)[O-] 21835444 LMIVXQAMMFVNGE-QGZVFWFLSA-N 326.396 4.420 5 40 EIBB Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 222902530 AOFMUIKEMHKJMC-AWEZNQCLSA-N 338.407 4.273 5 40 EIBB Cc1ccc(C)c(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1 211417 QZYHDXOMZVHAGE-UHFFFAOYSA-N 327.383 4.121 5 40 EIBB O=[N+]([O-])c1cnc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 331514 NYUSLYJBNXLEJI-UHFFFAOYSA-N 328.331 4.267 5 40 EIBB COc1ccc(NC(=O)c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 5513355 UAWDGPLPOFBVQJ-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB Cc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C 59351117 SYTXBWZMZCIGOI-LBPRGKRZSA-N 332.787 4.356 5 40 EIBB CC(C)[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccs1 84456448 PNFIOSUYTLAHSM-HNNXBMFYSA-N 343.408 4.265 5 40 EIBB CC(C)Oc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1966766 HRXWFJQYAUHZTB-IZZDOVSWSA-N 326.352 4.034 5 40 EIBB Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)o1 7967716 RQDTZJAJFKOELK-UHFFFAOYSA-N 343.364 4.180 5 40 EIBB COc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)cc1F 65568168 HBTVTPLVALKZCN-NSHDSACASA-N 341.342 4.464 5 40 EIBB Cc1ccc(C)c(NC(=O)CSCc2cccc([N+](=O)[O-])c2)c1 408723887 YTCHMMYONTYSCG-UHFFFAOYSA-N 330.409 4.084 5 40 EIBB O=[N+]([O-])c1ccc(SCc2ccc(Br)cc2)nc1 4712058 YUNAKQOAYZVBAX-UHFFFAOYSA-N 325.187 4.045 5 40 EIBB CC(C)Oc1ccc(CC[C@@H](C)Nc2ncccc2[N+](=O)[O-])cc1 48289777 FBXYTECKAOFGBB-CQSZACIVSA-N 329.400 4.210 5 40 EIBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2cc(Cl)ccc2o1 54644618 YNKBQGSLWSGVDG-UHFFFAOYSA-N 346.726 4.255 5 40 EIBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 3552849 KPUMFTXEFGPPAF-SECBINFHSA-N 339.178 4.393 5 40 EIBB CC(C)c1ncc([N+](=O)[O-])n1C(=O)Nc1ccc(Cl)c(Cl)c1 16576018 PVZVWBBGZXADSL-UHFFFAOYSA-N 343.170 4.302 5 40 EIBB Cc1ccc(CNC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1 27529486 ZKCWVJACOKENPK-UHFFFAOYSA-N 343.382 4.185 5 40 EIBB Cc1cccc(OC(=O)c2cccn2Cc2cccs2)c1[N+](=O)[O-] 71820775 PXOWDLIHSPDZHA-UHFFFAOYSA-N 342.376 4.034 5 40 EIBB COc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)o2)cc1[N+](=O)[O-] 85347276 BGAPDKIAZXZHCX-UHFFFAOYSA-N 335.319 4.407 5 40 EIBB CCCCC(CCCC)NCCOC(=O)c1ccc([N+](=O)[O-])cc1 5047590 BRZCTMFRBBQFDB-UHFFFAOYSA-N 336.432 4.090 5 40 EIBB COc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 8206918 UANJIKPKMBJFDE-VOTSOKGWSA-N 337.734 4.314 5 40 EIBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1ccc(Cl)cc1 8938278 YSTFUFXFDJZDQV-GFCCVEGCSA-N 332.787 4.010 5 40 EIBB O=[N+]([O-])c1ccc(NCCOc2ccccc2F)c(C(F)(F)F)c1 59475463 RIKWSIAROSWMMK-UHFFFAOYSA-N 344.264 4.244 5 40 EIBB C[C@@H]1CCc2cc(F)ccc2N1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 483361 YKZXZEJENXSBAV-BCRSCGJKSA-N 340.354 4.115 5 40 EIBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc(F)cc1 3510680 AAOWOGCFGLPGIK-UHFFFAOYSA-N 348.329 4.442 5 40 EIBB O=[N+]([O-])c1ccc2nc(/C=C/c3ccc4c(c3)OCCO4)sc2c1 8156639 AMMURBWMTLSYOI-QHHAFSJGSA-N 340.360 4.146 5 40 EIBB Cc1c(NC(=O)COc2cccc3ccccc23)cccc1[N+](=O)[O-] 508799 WDZCAUCKFDZMGZ-UHFFFAOYSA-N 336.347 4.074 5 40 EIBB O=C(N[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl 3351889 FWXOCRFTQDNULA-INIZCTEOSA-N 330.771 4.056 5 40 EIBB O=C(NCC1(c2ccccc2)CCC1)c1ccc([N+](=O)[O-])cc1Cl 11178543 KBQBEXXXRLLBIB-UHFFFAOYSA-N 344.798 4.100 5 40 EIBB O=C(Nc1cccc(OC2CCCC2)c1)c1cccc([N+](=O)[O-])c1 31205835 PXYFGWHXKYAXOV-UHFFFAOYSA-N 326.352 4.169 5 40 EIBB Cc1c(CSc2nnc(NCC(C)C)s2)cccc1[N+](=O)[O-] 40127770 BRIZJTGMYLDMKL-UHFFFAOYSA-N 338.458 4.115 5 40 EIBB Cc1nc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cs1 409022607 CJXQTMJUZDNRNI-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB C[C@@H](c1ccccn1)N(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 57265318 SXOZMFDUELOASQ-NSHDSACASA-N 345.786 4.009 5 40 EIBB Cc1cccc(C)c1OCCNc1nc2ccc([N+](=O)[O-])cc2s1 59461242 ODRYEFMFSSTFOZ-UHFFFAOYSA-N 343.408 4.312 5 40 EIBB O=C(c1ccccc1[N+](=O)[O-])c1nc2ccccc2n1-c1ccccc1 9260797 HYHBQMPVLKVFPC-UHFFFAOYSA-N 343.342 4.165 5 40 EIBB COc1ccc2c(c1[N+](=O)[O-])CC[C@@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]21 40533557 QDFCXLJPTBSDPF-VODUFIJXSA-N 329.396 4.029 5 40 EIBB Cc1cc(CNc2nc3ccccn3c2[N+](=O)[O-])c2[nH]c(C)c(C)c2c1 58426282 QUINRWLNWVVVMZ-UHFFFAOYSA-N 349.394 4.261 5 40 EIBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccc(F)cc2)o1 5234668 JYVIYBFUVHZMKN-UHFFFAOYSA-N 326.283 4.246 5 40 EIBB O=C(c1ccccc1)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 587303 JBDFMPFWMSFMNR-UHFFFAOYSA-N 346.342 4.078 5 40 EIBB C[C@H](c1ccc(Cl)cc1Cl)N(C)c1ccc([N+](=O)[O-])cn1 12875217 WFQORZBKIZSUON-SECBINFHSA-N 326.183 4.494 5 40 EIBB CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc([N+](=O)[O-])c1C 13994650 DZUCGQCZULUONF-INIZCTEOSA-N 328.368 4.008 5 40 EIBB CCCCCCC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 4404222 PUPYQYKLGJPBOW-IBGZPJMESA-N 334.460 4.311 5 40 EIBB O=C(N[C@H]1CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1Cl 5442870 MTAAXYBOHUPDRD-INIZCTEOSA-N 330.771 4.056 5 40 EIBB Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 7685985 ZBSACSIJCJWDFX-HXUWFJFHSA-N 346.386 4.423 5 40 EIBB C[C@@H](Sc1nnc(-c2ccccc2)n1C)c1cccc([N+](=O)[O-])c1 8744586 YWXYDIYACOLNGG-GFCCVEGCSA-N 340.408 4.244 5 40 EIBB C[C@H](c1ccccc1F)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 58166665 CZWAVBYMKZZDHU-CYBMUJFWSA-N 342.370 4.029 5 40 EIBB Cc1cc([N+](=O)[O-])cc2nc(-c3ccccc3Br)oc12 73639428 JLNAPGBPKKSWQZ-UHFFFAOYSA-N 333.141 4.474 5 40 EIBB CC(C)c1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 222807896 JIPYVFHRLOIOMD-UHFFFAOYSA-N 348.786 4.389 5 40 EIBB O=[N+]([O-])C1=Cc2c(ccc3ccccc23)O[C@H]1c1ccc2c(c1)OCO2 91887 FFBOMGRVEIJACO-FQEVSTJZSA-N 347.326 4.320 5 40 EIBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1F 5771013 QWGBSZGFUGIUHL-UHFFFAOYSA-N 343.339 4.110 5 40 EIBB CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Cl)ccc1F 40087566 AZCXOSOJOSDBKI-UHFFFAOYSA-N 336.750 4.050 5 40 EIBB C[C@H]1CCCCN1c1c(Br)cc(Cl)cc1[N+](=O)[O-] 45886194 DXCDLDBEYZVKAU-QMMMGPOBSA-N 333.613 4.390 5 40 EIBB Cc1sc(NC(=O)c2ccc([N+](=O)[O-])s2)nc1-c1ccccc1 193683 ROWPVUGDDLIIOA-UHFFFAOYSA-N 345.405 4.341 5 40 EIBB O=C(NCCSC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl 408578045 SEROQFIQNTZROS-UHFFFAOYSA-N 342.848 4.044 5 40 EIBB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 254656 UQEAXBKVRVBCHU-UHFFFAOYSA-N 348.358 4.426 5 40 EIBB C[C@H](c1cccs1)N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 16273706 MZBJQUQPCVSYGC-LLVKDONJSA-N 345.424 4.064 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c(Cl)cccc1Cl 3342879 YCRSPWKERPSYSC-UHFFFAOYSA-N 339.178 4.391 5 40 EIBB O=C(CSc1cccc2cccnc12)c1cc([N+](=O)[O-])cs1 12173282 JEYOUQPVAOQYNK-UHFFFAOYSA-N 330.390 4.180 5 40 EIBB O=[N+]([O-])c1ccc(Sc2ccc3c(c2)OCCO3)c2ccncc12 15164439 JRFOZTHSPLFBCF-UHFFFAOYSA-N 340.360 4.065 5 40 EIBB Cc1c(NC(=O)N2CCC[C@@H]2c2cccs2)cccc1[N+](=O)[O-] 15837639 IVUDWDRCWGKESE-CQSZACIVSA-N 331.397 4.334 5 40 EIBB Cc1c(NC(=O)N(C)Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 43346764 ACGSAEGIPMODOP-UHFFFAOYSA-N 333.775 4.221 5 40 EIBB Cc1cc2ccccn2c1[C@H](C[N+](=O)[O-])c1c(F)cccc1Cl 3207286 QIWKQHQOTPQNNX-CYBMUJFWSA-N 332.762 4.449 5 40 EIBB Cc1c(NC(=O)[C@H](C)SCc2ccccc2)cccc1[N+](=O)[O-] 6455975 XFCSJEXDRZIBMH-ZDUSSCGKSA-N 330.409 4.164 5 40 EIBB Cc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)ccc1[N+](=O)[O-] 13000980 HWNGFPYAMLHBAX-CYBMUJFWSA-N 342.420 4.434 5 40 EIBB CCOc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)c1cccc(C)c1 33746628 RMRIELCNOATUNY-KAMYIIQDSA-N 341.363 4.250 5 40 EIBB CCC[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 84740787 JPNUEHXKMJGAGB-AWEZNQCLSA-N 344.415 4.047 5 40 EIBB CCCCOc1nccc2[nH]c(=O)c3ccc(Br)cc3c12 91301782 ZCLVCVKLGYQMJO-UHFFFAOYSA-N 347.212 4.018 5 40 EIBB Cc1c(Br)cccc1-c1nc2ccc([N+](=O)[O-])cc2o1 216743174 KFIBIRPFQVMTSL-UHFFFAOYSA-N 333.141 4.474 5 40 EIBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCc2ccccc21 3446649 TWPGHYFSKAWVGL-UHFFFAOYSA-N 348.358 4.448 5 40 EIBB CC(C)=Cc1oc2ccc([N+](=O)[O-])cc2c1N1C[C@@H](C)O[C@H](C)C1 5577207 YIRDBVFDSROVBN-CHWSQXEVSA-N 330.384 4.378 5 40 EIBB Cc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(F)c2)cs1 30518704 LVPFLQBVGJYOSM-UHFFFAOYSA-N 331.328 4.353 5 40 EIBB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 216471368 GALDNDWPMZLJPD-HNNXBMFYSA-N 334.759 4.044 5 40 EIBB Cc1[nH]c2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2c1C 9996151 URHKYJJAONXSGT-UHFFFAOYSA-N 327.315 4.084 5 40 EIBB C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2o1 8237573 DACWDDCIHMJREX-SNVBAGLBSA-N 344.754 4.485 5 40 EIBB O=[N+]([O-])c1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1 3152776 IEQWYJZOIWVFOS-UHFFFAOYSA-N 333.350 4.264 5 40 EIBB Cc1cc(C)cc(OCCNc2nc3ccc([N+](=O)[O-])cc3s2)c1 59461246 MIJGUTRHGDRGSH-UHFFFAOYSA-N 343.408 4.312 5 40 EIBB O=c1oc2c3c(ccc2c2ccccc12)OCN(c1ccc(F)cc1)C3 534630 MLFQAEADHCGSPU-UHFFFAOYSA-N 347.345 4.442 5 40 EIBB COc1ccc(C(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1 1567136 SLCPPDDEOHWMHT-UHFFFAOYSA-N 330.339 4.186 5 40 EIBB CCc1ccc(NC(=O)c2c(Cl)nc(C)c([N+](=O)[O-])c2C)cc1 4754004 JPVQAWMZMNOPET-UHFFFAOYSA-N 333.775 4.075 5 40 EIBB O=C(CCCc1ccccc1)Sc1nc2cc([N+](=O)[O-])ccc2[nH]1 5729014 AABYZWQGGSJVFY-UHFFFAOYSA-N 341.392 4.113 5 40 EIBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[N+](C)(C)Cc1ccccc1 226170010 KWSQSVIKAJJHLO-ZDFPQIBNSA-N 348.551 4.101 5 40 EIBB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 4016807 VXOZEHBONIJFQO-ZYHUDNBSSA-N 329.183 4.125 5 40 EIBB aggregator O=[N+]([O-])c1cc(Cl)ccc1OCc1noc(-c2ccc(F)cc2)n1 31708520 KONZXQZUFQNEPQ-UHFFFAOYSA-N 349.705 4.016 5 40 EIBB CC1CCN(C(=S)Nc2cc3cccnc3c3cccnc23)CC1 408976173 QALJRRUEGLJBFI-UHFFFAOYSA-N 336.464 4.212 5 40 EIBB CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1Cl 4014271 BNRSGEFCHIZGLA-UHFFFAOYSA-N 340.166 4.196 5 40 EIBB CC(=O)Nc1ccc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc1 6514663 MYIZHJVZWCERPY-RUDMXATFSA-N 339.376 4.333 5 40 EIBB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 12894925 NPZZSDKEYPHKOS-MOEXGYKKSA-N 342.420 4.206 5 40 EIBB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 38754619 UUYZSXJQOXRAMJ-ZDUSSCGKSA-N 328.368 4.124 5 40 EIBB CCCCOC(=O)c1cc(Cl)c(N(CC)CC)c([N+](=O)[O-])c1 70462221 NVPZKLMCXJGWRI-UHFFFAOYSA-N 328.796 4.051 5 40 EIBB Cc1ccc(OC[C@H](O)C[N+]2(C)CCCCCC2)c(C(C)(C)C)c1 226071802 JXOPVKQOMCRNCW-GOSISDBHSA-N 334.524 4.053 5 40 EIBB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 376502 BOZWFKBUNLRQDD-SNVBAGLBSA-N 348.761 4.369 5 40 EIBB CCOc1cc2c(cc1CNc1cccc(F)c1[N+](=O)[O-])O[C@@H](C)C2 69326937 FVONASUAHUKRQY-NSHDSACASA-N 346.358 4.068 5 40 EIBB O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1c(F)cccc1Cl 84339020 IFUGRQFNRUGCRM-UHFFFAOYSA-N 345.717 4.188 5 40 EIBB Cc1ccc([C@H](C)NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)o1 97373988 UQAAFODQQPEZCW-LBPRGKRZSA-N 327.340 4.002 5 40 EIBB Cc1cc([N+](=O)[O-])cc2nc(-c3ccc(Br)c(N)c3)oc12 216926253 GVEXPBLNBYPWTA-UHFFFAOYSA-N 348.156 4.056 5 40 EIBB CC(C)N(Cc1ccccc1)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4114503 CRYZHRHRYZAVJE-UHFFFAOYSA-N 347.396 4.421 5 40 EIBB CCOc1ccc(C(=O)N[C@H](c2cccs2)C(C)C)cc1[N+](=O)[O-] 7122034 SCVBXBXLUFPUCN-INIZCTEOSA-N 348.424 4.182 5 40 EIBB COc1ccc2oc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)c(C)c2c1 14245821 UXVMAVHBAVGIIK-UHFFFAOYSA-N 344.298 4.049 5 40 EIBB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc([N+](=O)[O-])c1 22532441 GGKGKWCKLWSILJ-MRXNPFEDSA-N 328.368 4.008 5 40 EIBB O=C(Nc1ccc(Oc2ncccc2[N+](=O)[O-])cc1)c1cccs1 25369691 OJOSQYPEDLDSAU-UHFFFAOYSA-N 341.348 4.096 5 40 EIBB O=[N+]([O-])c1ccc(CNN2[C@@H]3CCCC[C@@H]3C[C@H]3CCCC[C@H]32)cc1 239433527 XVQZTFSRIZIHRA-HNBVOPMISA-N 343.471 4.423 5 40 EIBB CSc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1[N+](=O)[O-] 7007372 GQNYPRVQSUCUPR-ZDUSSCGKSA-N 344.436 4.068 5 40 EIBB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 44841982 QRJIUIRITLVSEY-QGZVFWFLSA-N 342.395 4.316 5 40 EIBB O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1CC1CCCCC1 409128147 DDFPSVRLIQHYQG-XNTDXEJSSA-N 346.408 4.211 5 40 EIBB O=C1Nc2cc(Cl)ccc2/C1=C\C=C\c1ccccc1[N+](=O)[O-] 13147751 QOTAAWAKWKLDRS-YLTNESKFSA-N 326.739 4.297 5 40 EIBB O=C(Nc1cccnc1Oc1ccccc1)c1cccc([N+](=O)[O-])c1 32832619 QDUCZJZMGBRCHV-UHFFFAOYSA-N 335.319 4.034 5 40 EIBB CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(C)cc1C 218161296 SAMXKEMBDNDLIL-KRWDZBQOSA-N 326.396 4.022 5 40 EIBB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C 223401535 OJNVIYBYPYOEIZ-OAHLLOKOSA-N 326.396 4.319 5 40 EIBB CC(C)[C@H](C)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 225185478 RLRGVXRYLFWLSV-SJPXOZHESA-N 338.407 4.296 5 40 EIBB COc1ccc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc1O 6566660 LXRNNJSPRSYJBY-XVNBXDOJSA-N 328.349 4.089 5 40 EIBB C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 18174114 UCXRQPCTIHGZES-LLVKDONJSA-N 325.324 4.224 5 40 EIBB CCc1ccccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc12 5091781 UVSPWISJXDWTBD-UHFFFAOYSA-N 338.323 4.357 5 40 EIBB CCc1ccc([C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)cc1 6648334 ZZDVICYIDLRIAY-GOSISDBHSA-N 341.411 4.065 5 40 EIBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12 14898382 XEDKZIRYSIMBHB-UHFFFAOYSA-N 335.363 4.189 5 40 EIBB C[C@@H]1CCCC[C@@H]1OCCNc1ccc([N+](=O)[O-])c2cccnc12 65609339 HKNNKNIBKFPDDF-DYVFJYSZSA-N 329.400 4.150 5 40 EIBB C[C@H]1C[C@H](C)CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 4063437 DPRAFSUVXUZUOC-IUCAKERBSA-N 347.293 4.004 5 40 EIBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(Cl)c1 5681459 HEVYGYFCWXTJON-UHFFFAOYSA-N 340.763 4.118 5 40 EIBB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C 8558293 IBDBVCUVTSVDLP-MRXNPFEDSA-N 348.786 4.353 5 40 EIBB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 14022441 VZRASUPAZDUOKY-KRWDZBQOSA-N 328.368 4.008 5 40 EIBB C[C@H]1CCC[C@H](C)N1C(=S)Sc1ccc([N+](=O)[O-])cc1C=O 13574211 PWIVUGKKWARPHR-QWRGUYRKSA-N 338.454 4.047 5 40 EIBB COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]1c1cccs1 15837647 KZUMQBASFZDQLY-ZDUSSCGKSA-N 347.396 4.034 5 40 EIBB CC1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 17355572 QMCAJRXPPVQQQK-UHFFFAOYSA-N 339.395 4.211 5 40 EIBB C[C@H]1CCCCN1c1c(Cl)cc([N+](=O)[O-])cc1Br 45885803 PCFFCYFAMMMAMR-QMMMGPOBSA-N 333.613 4.390 5 40 EIBB C[C@@H]1CC[C@@](C)(C(=O)CCOC(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C 3846193 CWZKOCPDFRUOKH-YJYMSZOUSA-N 347.411 4.173 5 40 EIBB biogenic O=C(O)c1cc(Sc2ccc([N+](=O)[O-])cc2)c2ccccc2c1O 16525389 SUTSKQWNWIVGQO-UHFFFAOYSA-N 341.344 4.303 5 40 EIBB CC(C)(C)c1ccccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] 24992677 BTMGIPLRPRGRSE-UHFFFAOYSA-N 341.411 4.333 5 40 EIBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(Cc1ccco1)CO2 54278273 IDZHELGONAVHKB-UHFFFAOYSA-N 347.370 4.200 5 40 EIBB CN(Cc1nc2ccccc2o1)Cc1cc([N+](=O)[O-])ccc1Cl 57352167 YMIBXBDBSVYSFK-UHFFFAOYSA-N 331.759 4.021 5 40 EIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 4043731 GJLYTKAWRZHWHW-GFCCVEGCSA-N 348.786 4.271 5 40 EIBB O=C(CSc1ccc2ccccc2c1)Nc1ccccc1[N+](=O)[O-] 5776208 NSRMBTYQESILMW-UHFFFAOYSA-N 338.388 4.479 5 40 EIBB CC(C)(C)NC(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 38190221 ZMMLPYWBFDDLBW-UHFFFAOYSA-N 349.463 4.349 5 40 EIBB CC(C)c1ccc2cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)[nH]c2c1 40070204 GYKMBSOAIKJGIP-UHFFFAOYSA-N 349.390 4.402 5 40 EIBB CC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(C)c(C)c1 217889691 DJRQGLMRJPRZGR-SINXNMPMSA-N 338.407 4.492 5 40 EIBB CSc1ccc(Cl)c(C(=O)OCc2cccc([N+](=O)[O-])c2)c1 3302544 JEBRVABUAMMQHD-UHFFFAOYSA-N 337.784 4.327 5 40 EIBB CC[C@H](C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4719182 CLFOGRWETFDPSZ-NSHDSACASA-N 343.339 4.269 5 40 EIBB CC(C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 304765 NGZSJSBJVCIBDV-UHFFFAOYSA-N 332.787 4.299 5 40 EIBB CC(C)Oc1ccc([C@@](O)(CC[N+](C)(C)C)C2CCCCC2)cc1 492679 NIWIKAJOROHSJI-OAQYLSRUSA-N 334.524 4.338 5 40 EIBB Cc1cc(-c2noc(-c3cccc([N+](=O)[O-])c3C)n2)c2ccccc2n1 1426812 UBCBZVKMYDEKBJ-UHFFFAOYSA-N 346.346 4.477 5 40 EIBB S=C(NCc1ccccc1)Nc1cc2ncccc2c2cccnc12 408975593 NPSMUOCPPMFFBN-UHFFFAOYSA-N 344.443 4.270 5 40 EIBB O=C(c1ccc(-c2ccccc2)cc1)[C@H]1N[C@@H]1c1ccc([N+](=O)[O-])cc1 35026122 UBOBDPUFSFFGIV-UXHICEINSA-N 344.370 4.158 5 40 EIBB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(C[N+](=O)[O-])=CC[C@@]43C)[C@H]1CC[C@@H]2O 245239040 DTXNPOBNJOPXJO-YQXKYMSPSA-N 333.472 4.203 5 40 EIBB Cc1ccc(N(Cc2ccc([N+](=O)[O-])cc2)C(=O)c2ccco2)cc1 251560 ZBALSUWLYMYBCQ-UHFFFAOYSA-N 336.347 4.343 5 40 EIBB CCn1c(S[C@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccco1 12688483 RZGAKMWKCAPQGB-LLVKDONJSA-N 344.396 4.320 5 40 EIBB C[N+]1(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CCCCCC1 36631465 ZXMNEKSSHQDLME-NRFANRHFSA-N 340.487 4.114 5 40 EIBB CC[C@@H](C)[C@H](C(=O)OCCC[N+]1(C)CCCCC1)c1ccccc1 1726479 HCEGVHWGWQUIJQ-QUCCMNQESA-N 332.508 4.380 5 40 EIBB CCN(CC)c1ccc2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)oc2c1 2566833 AKVJORXFBHGDIH-UHFFFAOYSA-N 338.363 4.214 5 40 EIBB Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 4777431 KKICYQSUIQOVQL-UHFFFAOYSA-N 329.356 4.376 5 40 EIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1c(F)cccc1Cl 5113274 YUZKOHFKMWBWNW-RMKNXTFCSA-N 335.718 4.144 5 40 EIBB CN(C(=O)Nc1cc2cccnc2c2ncccc12)c1ccccc1 6356991 UJDMAVMPCQEOEL-UHFFFAOYSA-N 328.375 4.451 5 40 EIBB Cc1c(C(=O)Nc2ccc(-c3nccs3)cc2)cccc1[N+](=O)[O-] 14109386 VIVINJZEFOZRHH-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB COC(=O)[C@H](c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 169800367 XNGDZHDGPNNFIU-CQSZACIVSA-N 340.162 4.207 5 40 EIBB CCCCOC(=O)Cn1c2nc3ccccc3nc2c2cccc(C)c21 2437506 PXIBYFVMOHEGHK-UHFFFAOYSA-N 347.418 4.389 5 40 EIBB C[C@H]1CCCN(c2ccc(C(=O)Nc3ccccc3)cc2[N+](=O)[O-])C1 4895930 ISJSPSLVVSOEIB-AWEZNQCLSA-N 339.395 4.083 5 40 EIBB Cc1cc(C)cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 6044110 QNVHLYSZTLOSPV-UHFFFAOYSA-N 339.395 4.064 5 40 EIBB CCc1cc([N+](=O)[O-])cc2nc(-c3cncc(Br)c3)oc12 73642627 XZTHVQTVEGFZMT-UHFFFAOYSA-N 348.156 4.123 5 40 EIBB O=[N+]([O-])c1ccc(-c2ccc(/C=C3/SC(=S)N=C3O)o2)cc1 1452513 DNCIZVIDQRGWMB-KPKJPENVSA-N 332.362 4.184 5 40 EIBB CC(=O)c1ccc(N[C@@H](c2ccccc2)c2ccccn2)c([N+](=O)[O-])c1 24153846 VYZAYRMCBIOKDK-FQEVSTJZSA-N 347.374 4.394 5 40 EIBB CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2c(c1)CCC2 65864904 MJBFGNVTKJXOBR-UHFFFAOYSA-N 338.407 4.134 5 40 EIBB Cc1nc2cc(Nc3ncccc3[N+](=O)[O-])ccc2n1-c1ccccc1 7139547 RGXZUUAQGNRFKN-UHFFFAOYSA-N 345.362 4.381 5 40 EIBB CC[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccccc1 20461001 CTCQCHOFTRHRFD-KRWDZBQOSA-N 344.436 4.096 5 40 EIBB C[C@H]1C[C@@H](C)CN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)C1 36627539 MTCSBGNEUVIVSR-OKILXGFUSA-N 335.403 4.064 5 40 EIBB Cc1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1C 7093769 FEBAIMCSKYYCQT-UHFFFAOYSA-N 330.409 4.084 5 40 EIBB O=C1c2ccccc2N[C@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1 7889492 WDPYYMUEIIQNFZ-IBGZPJMESA-N 345.358 4.366 5 40 EIBB S=C(NCc1ccccc1)Nc1cc2cccnc2c2cccnc12 408975850 OFZRAOKZBWMNSS-UHFFFAOYSA-N 344.443 4.270 5 40 EIBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12 5107710 WZGONQBYSXYNLG-CYBMUJFWSA-N 336.347 4.154 5 40 EIBB O=[N+]([O-])c1cc(Cl)ccc1OCc1cc(-c2ccccc2)on1 10633835 PMQUXRJCISQPEA-UHFFFAOYSA-N 330.727 4.482 5 40 EIBB O=[N+]([O-])c1ccc(CCN2CCn3cccc3[C@H]2c2ccccc2)cc1 59402855 CUIWBHOQXDZJJM-OAQYLSRUSA-N 347.418 4.044 5 40 EIBB COc1cccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 3317462 MVOPANXBSAYEQS-UHFFFAOYSA-N 327.365 4.471 5 40 EIBB COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl 5514077 UACDUULXJJZBAQ-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB O=C(Nc1ccc(Cl)cn1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 5714441 UUWKULITLRZKTL-UHFFFAOYSA-N 343.726 4.156 5 40 EIBB CCN(CC)C(=S)Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59484699 IHJDNKJFFRJVDW-UHFFFAOYSA-N 338.376 4.332 5 40 EIBB O=[N+]([O-])c1ccc(Cl)c(NC(=S)N[C@H]2C[C@H]2c2ccccc2)c1 63175180 UCZNBTZWNAROJN-JSGCOSHPSA-N 347.827 4.091 5 40 EIBB O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CCCCC1 408911672 NOYWSEVQYAJZKV-XDJHFCHBSA-N 336.391 4.148 5 40 EIBB COC(=O)c1ccc(C[N+](C)(C)C[C@H]2[C@H](C)C=C(C)C[C@H]2C)cc1 4981730 WBDRYJJPLIJBNL-HLIPFELVSA-N 330.492 4.288 5 40 EIBB O=C(Nc1cc([N+](=O)[O-])ccc1F)c1c(Cl)cccc1Cl 5567382 ANOWLSXUIDNTDT-UHFFFAOYSA-N 329.114 4.293 5 40 EIBB CCCOC(=O)c1cc(Cl)c(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 70462591 ZKIPXXOSVXORDO-NSHDSACASA-N 340.807 4.194 5 40 EIBB C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@H](C)S1 80951421 TZHDHVLXQYXJKG-OKILXGFUSA-N 336.460 4.354 5 40 EIBB Cc1noc(/C=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1[N+](=O)[O-] 408541852 GFZPWTGCECPFHA-NSCUHMNNSA-N 344.110 4.277 5 40 EIBB C[C@H](Sc1nnc(C2CC2)n1C1CC1)c1cccc([N+](=O)[O-])c1 8257621 PJOAKDQWDXMNNN-JTQLQIEISA-N 330.413 4.252 5 40 EIBB CCCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 4278954 CQUWMEVEBRARMG-UHFFFAOYSA-N 328.368 4.334 5 40 EIBB COc1ccc(-c2cn3c(n2)sc2cc([N+](=O)[O-])ccc23)cc1 9086678 UWVMPNGANHTFTB-UHFFFAOYSA-N 325.349 4.133 5 40 EIBB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc([N+](=O)[O-])c1 13708466 FZVKLMUJSSEQTG-CYBMUJFWSA-N 336.347 4.154 5 40 EIBB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1C 20486294 UWEYLRQCKQJAAE-HNNXBMFYSA-N 348.786 4.353 5 40 EIBB CCN(c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1)C(C)C 5200262 RDYIURNHWHDSEU-UHFFFAOYSA-N 341.411 4.390 5 40 EIBB O=C(/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)N1CCCCC1 408907751 QQUWRYKAOGEBLZ-XDJHFCHBSA-N 336.391 4.148 5 40 EIBB COc1ccc(Oc2ncnc3sc(C)c(C)c23)c([N+](=O)[O-])c1 3441915 SHFVFMPJUYSORU-UHFFFAOYSA-N 331.353 4.017 5 40 EIBB CCc1ccc(C2=NN=C(Nc3ccccc3[N+](=O)[O-])SC2)s1 11121420 QUUOZMDTTIFBHS-UHFFFAOYSA-N 346.437 4.138 5 40 EIBB CN(C)C(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1 408975782 NIGJNQXTGAKMQH-UHFFFAOYSA-N 338.461 4.256 5 40 EIBB O=[N+]([O-])c1c(Oc2cccc(Cl)c2Cl)nc2sccn12 8317378 OSGVLZSRYZIWTP-UHFFFAOYSA-N 330.152 4.403 5 40 EIBB Cc1c(NC(=O)CCN[C@H]2CCCC[C@@H]2C(C)C)cccc1[N+](=O)[O-] 97141065 AENJKATXZTXFMM-WBVHZDCISA-N 347.459 4.036 5 40 EIBB CC[C@@H](C)[C@@H](C(=O)OCCC[N+]1(C)CCCCC1)c1ccccc1 1726481 HCEGVHWGWQUIJQ-UYAOXDASSA-N 332.508 4.380 5 40 EIBB Cc1cccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1C 20891403 SZUYJWFCDRHIGN-UHFFFAOYSA-N 327.384 4.042 5 40 EIBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccco1)C1CC1 40098654 PRICNALILWWZLL-UHFFFAOYSA-N 335.747 4.038 5 40 EIBB Cc1nc(Oc2cccnc2[N+](=O)[O-])c2c(CC(C)C)csc2n1 71948505 RJNLPWZFXOOUIS-UHFFFAOYSA-N 344.396 4.294 5 40 EIBB O=[N+]([O-])c1ccc(-c2nc(COc3ccc4ccccc4c3)n[nH]2)cc1 6000409 BHIIVKMTILITAB-UHFFFAOYSA-N 346.346 4.112 5 40 EIBB O=[N+]([O-])c1ccc(N[C@@H]2CCc3c(Cl)cccc32)c([N+](=O)[O-])c1 58407131 VSXCWKCNYIHHSK-CYBMUJFWSA-N 333.731 4.256 5 40 EIBB CSc1ccccc1-n1c(=O)c2ccccc2c2ccccc2c1=O 211413 AJRAOCKFSPNHHI-UHFFFAOYSA-N 345.423 4.226 5 40 EIBB Cc1ccc2ccccc2c1/C(=C1\OC(=O)c2ccccc21)[N+](=O)[O-] 293605 FPUSVPXMEAAJIA-VHEBQXMUSA-N 331.327 4.421 5 40 EIBB CCc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 7758477 XBQOSIBYYVJWJH-UHFFFAOYSA-N 327.365 4.019 5 40 EIBB CCCCNc1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12 9328431 XKDPPVJMYRMLLB-UHFFFAOYSA-N 337.379 4.111 5 40 EIBB C[C@@H](Sc1nc(N)c2ccsc2n1)c1cccc([N+](=O)[O-])c1 58345125 JXWZXMAEAGLPKX-MRVPVSSYSA-N 332.410 4.035 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)cc1Cl 262060 LEAPIHRFYICYKA-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB CCCCCC[C@H](C)N(C)CCOC(=O)c1ccc([N+](=O)[O-])cc1 1710521 REOQFGWFTBDTND-HNNXBMFYSA-N 336.432 4.042 5 40 EIBB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccccc1[N+](=O)[O-] 5175797 XSCWRLJPHICQIZ-UHFFFAOYSA-N 348.786 4.354 5 40 EIBB CC(C)Cc1nc2oc3ccccc3c(=O)c2c2nc3ccccc3n12 5209835 UCGUYLGDNQWRGA-UHFFFAOYSA-N 343.386 4.341 5 40 EIBB O=[N+]([O-])c1ccc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 6883220 DKWIIGSIVLQFIG-UHFFFAOYSA-N 346.799 4.326 5 40 EIBB CCN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1)C(C)C 30635593 FLYKGKGFUIWJBU-UHFFFAOYSA-N 333.413 4.143 5 40 EIBB Cc1ccc(CN(Cc2ccco2)c2ccc([N+](=O)[O-])cn2)s1 84205470 WZIOTKQFFHEWFS-UHFFFAOYSA-N 329.381 4.160 5 40 EIBB Cc1cc(C)c2nc(NC(=O)c3ccc([N+](=O)[O-])s3)sc2c1 136939 UHHPFQNPZFKRCL-UHFFFAOYSA-N 333.394 4.135 5 40 EIBB O=C(O)c1cccc([N+](=O)[O-])c1Nc1cccc(C(F)(F)F)c1 5011923 FLBDNTHUPPBERA-UHFFFAOYSA-N 326.230 4.055 5 40 EIBB Cc1cc(OC[C@@H](O)C[N+](C)(C)Cc2ccccc2)ccc1C(C)C 41690018 SYKJXCIJIPOKCE-FQEVSTJZSA-N 342.503 4.135 5 40 EIBB Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2c1 175398 AVLOMTGCJKGBJX-UHFFFAOYSA-N 327.365 4.074 5 40 EIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1SC(C)C 8481015 IJSBAINSKBAXAO-UHFFFAOYSA-N 346.408 4.356 5 40 EIBB CCN(C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)C1CCCC1 35208235 AKAAZZOCERFSFY-UHFFFAOYSA-N 331.199 4.306 5 40 EIBB CC1(C)C=Cc2c(cc(O)c3c(=O)c4cc(Cl)ccc4[nH]c23)O1 5762816 DODZZNFJJYOJMN-UHFFFAOYSA-N 327.767 4.225 5 40 EIBB O=C(Nc1ccncc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 8780288 PUNQBTIWJNJNDS-UHFFFAOYSA-N 343.726 4.156 5 40 EIBB C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 33191657 QVMMZHOXDDZNBG-VHODGJRUSA-N 336.800 4.200 5 40 EIBB O=[N+]([O-])c1ccc(Nc2ccc(OC[C@@H]3CCCO3)cc2)c(F)c1 40153797 FPFWCNZNPOBQKK-HNNXBMFYSA-N 332.331 4.035 5 40 EIBB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 222987079 ACICWFQFWJZTLO-SFHVURJKSA-N 342.395 4.316 5 40 EIBB O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 180775 XJJRQXJWTVJBAE-HNNXBMFYSA-N 334.784 4.027 5 40 EIBB CCOc1ccc2c(ccc(/C=C\c3cccc([N+](=O)[O-])c3)[n+]2C)c1 4529303 WXWWGVDAPPVUCU-CLFYSBASSA-N 335.383 4.142 5 40 EIBB CC[C@H](C)OC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1ccccc12 5410973 PJZHFJDMHZBMPZ-STQMWFEESA-N 340.375 4.055 5 40 EIBB CCc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 78457617 ORPSEFSRVVLMCW-LLVKDONJSA-N 332.787 4.302 5 40 EIBB COc1ccc(-c2oc3c(ccc4ccccc43)c(=O)c2O)cc1OC 4085032 QKKFAWYMSIFENP-UHFFFAOYSA-N 348.354 4.336 5 40 EIBB biogenic O=C(c1ccc([N+](=O)[O-])cc1)c1c(-c2ccccc2)nc2ccccn12 9335397 RVVSJCXAELQSMU-UHFFFAOYSA-N 343.342 4.141 5 40 EIBB CCC(CC)N(C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 12545256 ZCWPHDDGSVIMPA-UHFFFAOYSA-N 347.459 4.092 5 40 EIBB Cc1ccc([N+](=O)[O-])c(OCc2ccc(-n3nc(C)cc3C)cc2)c1 31845066 KFDGGFYRUYBOKI-UHFFFAOYSA-N 337.379 4.285 5 40 EIBB Cc1cc(NS(=O)(=O)c2ccccc2)c2ccc3ccccc3c2n1 40384385 OKWQYQAFHSHVGM-UHFFFAOYSA-N 348.427 4.497 5 40 EIBB COc1ccc2[nH]c(C)c(-c3cnc4ccc([N+](=O)[O-])cc4n3)c2c1 77024333 NABVMRLETXQSPZ-UHFFFAOYSA-N 334.335 4.003 5 40 EIBB O=C(CSC1CCCC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 4912890 JVEWUFZDTLFULQ-UHFFFAOYSA-N 348.346 4.228 5 40 EIBB Cc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)cc1C 4995749 FTLQUWBOZGKOJH-UHFFFAOYSA-N 338.323 4.412 5 40 EIBB CSc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1[N+](=O)[O-] 7007374 GQNYPRVQSUCUPR-CYBMUJFWSA-N 344.436 4.068 5 40 EIBB CC(=O)CSc1ncnc2c1sc1nc3ccccc3cc12 35313352 ZRFDIRAQQWGDLE-UHFFFAOYSA-N 325.418 4.074 5 40 EIBB O=[N+]([O-])c1cc(NCc2nnc(-c3ccccc3F)o2)ccc1Cl 89821284 FDZJCEAMULZEFY-UHFFFAOYSA-N 348.721 4.049 5 40 EIBB O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cc1 424072 PXKCOHVHRUVHEI-HNNXBMFYSA-N 334.784 4.027 5 40 EIBB COc1ccc(NC(=O)CCSc2ccc(C)cc2)c([N+](=O)[O-])c1 4496533 MXMWVRXLEWHQAO-UHFFFAOYSA-N 346.408 4.033 5 40 EIBB CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(C)c(C)c1 217877139 WOZAGGYLXUEQOC-QGZVFWFLSA-N 326.396 4.401 5 40 EIBB COc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C 225375242 ZXWHGVFVINHZJP-UHFFFAOYSA-N 348.786 4.137 5 40 EIBB CCc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc12 4348299 FTXYCVJNOTXZBP-UHFFFAOYSA-N 327.365 4.019 5 40 EIBB Cc1nc2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2s1 6786152 LUOROKZWYCOPRB-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB C[C@H]1c2ccsc2CCN1c1ccc([N+](=O)[O-])c2cnccc12 15143887 BKSIVVXKUJKDGH-NSHDSACASA-N 325.393 4.328 5 40 EIBB COc1ccc2c(c1[N+](=O)[O-])CC[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 40533559 QDFCXLJPTBSDPF-NGOJXBLDSA-N 329.396 4.029 5 40 EIBB CCCCCc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 1829699 KPRNXPNHVKZEAG-UHFFFAOYSA-N 337.379 4.027 5 40 EIBB O=[N+]([O-])c1ccc(CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 3176439 LKYZTMDJKQHIHZ-UHFFFAOYSA-N 347.377 4.405 5 40 EIBB CSc1ccc(C(=O)Nc2cccc3cccnc23)cc1[N+](=O)[O-] 14516502 RKILDCRDSKWXCP-UHFFFAOYSA-N 339.376 4.117 5 40 EIBB CCCCCCc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 4596736 GIVRMNDYMHKJKC-UHFFFAOYSA-N 349.416 4.213 5 40 EIBB CC(C)c1noc(-c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n1 15833926 CNBCBOXFRPXSRF-GFCCVEGCSA-N 330.388 4.005 5 40 EIBB O=C(/C=C/c1ccco1)OCc1cc(=O)oc2ccc3ccccc3c12 3336865 WJIHUSPNDUNXHQ-CSKARUKUSA-N 346.338 4.296 5 40 EIBB CSc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 7062828 DGIVGZNVANRPEW-UHFFFAOYSA-N 346.452 4.015 5 40 EIBB C[C@@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 18207817 MZIGKHPNFDJHIR-SECBINFHSA-N 334.759 4.037 5 40 EIBB O=[N+]([O-])c1cccc2nc(/C=C/c3ccc4c(c3)OCCO4)ccc12 6602269 ZRRUVVQYKKTXRI-GQCTYLIASA-N 334.331 4.085 5 40 EIBB CCOC(=O)[C@H](C)n1c(-c2ccc([N+](=O)[O-])cc2)cc2c1CCCC2 95951501 JAXFNTVBJBQDOO-ZDUSSCGKSA-N 342.395 4.066 5 40 EIBB Cc1cc(C)c2nc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2c1 192375 JPTDKMJPFZJJIL-UHFFFAOYSA-N 341.392 4.382 5 40 EIBB O=C(Nc1cc2c(ccc3ccccc32)oc1=O)c1ccc(F)cc1 381402 VAIVYSRSSBLOSA-UHFFFAOYSA-N 333.318 4.338 5 40 EIBB Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 4339799 LUEOBPHMLCEAPB-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB CC[C@@H](C)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 6308154 KEOUPTOMPVNTRX-LLVKDONJSA-N 343.339 4.269 5 40 EIBB COC(=O)c1ccc(C[N+](C)(C)C[C@@H]2[C@H](C)C=C(C)C[C@H]2C)cc1 536018 WBDRYJJPLIJBNL-MBOZVWFJSA-N 330.492 4.288 5 40 EIBB CCCc1nc2oc3ccccc3c(=O)c2c2nc3ccccc3n12 5207102 XGRNXLIRCBRYRM-UHFFFAOYSA-N 329.359 4.095 5 40 EIBB O=c1[nH]c2nc(C(F)(F)F)cc(-c3ccco3)c2c2ccccc12 12610358 FJBQHUQJYFTWGX-UHFFFAOYSA-N 330.265 4.355 5 40 EIBB CC(C)c1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 70633 DHPVSMDXZJHILI-BOPFTXTBSA-N 336.347 4.063 5 40 EIBB CCc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1 426926 BHEMYNAYOPVCKD-UHFFFAOYSA-N 327.383 4.067 5 40 EIBB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1C 20110508 YMWLOAQRQOWOMC-SFHVURJKSA-N 342.395 4.316 5 40 EIBB CC(=O)c1ccc(NCCNc2cccc3ccccc23)c([N+](=O)[O-])c1 6551677 KUILBVIUZHGNDA-UHFFFAOYSA-N 349.390 4.475 5 40 EIBB CC(C)CCSc1ccc(C(=O)Nc2ccccn2)cc1[N+](=O)[O-] 27652969 HIPLKOVBVDJLDP-UHFFFAOYSA-N 345.424 4.380 5 40 EIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(C3CC3)nc2c1 33213883 SJPMUGDGGHCRBD-RUDMXATFSA-N 349.346 4.265 5 40 EIBB Nc1nc2c([N+](=O)[O-])cc(C34CC5CC(CC(C5)C3)C4)cc2s1 226302879 RDVWNCVRGGVQEY-UHFFFAOYSA-N 329.425 4.255 5 40 EIBB CCc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 78457625 ORPSEFSRVVLMCW-NSHDSACASA-N 332.787 4.302 5 40 EIBB CC(=O)c1ccc(NCc2cc(-c3ccccc3)on2)c([N+](=O)[O-])c1 89292177 HZOHRNRHJJDGIC-UHFFFAOYSA-N 337.335 4.065 5 40 EIBB Cc1cc(C(C)(C)C)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 3183799 DHKOUKLHZJRBSE-UHFFFAOYSA-N 342.395 4.218 5 40 EIBB O=C(OCc1nc2ccccc2s1)c1ccc(Cl)cc1[N+](=O)[O-] 3604065 PVHMIKLAPYCKBV-UHFFFAOYSA-N 348.767 4.215 5 40 EIBB Cc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 4689128 CBEHEHGVLPIDKF-UHFFFAOYSA-N 328.412 4.448 5 40 EIBB COP(=O)(OC)[C@H](Nc1ccccc1)c1ccccc1[N+](=O)[O-] 4815430 KFXMMQFQOKTJHD-HNNXBMFYSA-N 336.284 4.191 5 40 EIBB Cc1ccccc1NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 97165899 MCFABPWUOQSNBD-UHFFFAOYSA-N 346.361 4.381 5 40 EIBB O=C(Nc1ccc2ncccc2c1)c1coc2ccc([N+](=O)[O-])cc12 137434242 NCWTWXRXVXEOSM-UHFFFAOYSA-N 333.303 4.142 5 40 EIBB O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1Cl 11203826 UDTMBUCFSWWKBF-INIZCTEOSA-N 330.771 4.129 5 40 EIBB Cc1c(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cccc1[N+](=O)[O-] 21934040 VDFUYRYGHQGCFX-AWEZNQCLSA-N 338.407 4.273 5 40 EIBB CCOP(=O)(OCC)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)F 306145296 ASUMQLNFAPNOOI-NSHDSACASA-N 339.231 4.099 5 40 EIBB Cc1cccc(C)c1NC(=O)CSCc1cccc([N+](=O)[O-])c1 408725018 CQEMGHIEPQHNMZ-UHFFFAOYSA-N 330.409 4.084 5 40 EIBB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc([N+](=O)[O-])s1 5445629 VTXRMJUKJACKDH-UHFFFAOYSA-N 339.785 4.172 5 40 EIBB Cc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1[N+](=O)[O-] 12993694 YFYWGLIKVJGUTF-UHFFFAOYSA-N 345.405 4.341 5 40 EIBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCCc2ccccc21 34533813 JNDYMCKBERDYHL-UHFFFAOYSA-N 330.771 4.231 5 40 EIBB O=[N+]([O-])c1ccccc1CN1CCn2cccc2[C@H]1c1ccccc1 40086094 HUQIJNFZLJYHSP-HXUWFJFHSA-N 333.391 4.002 5 40 EIBB Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 216959937 NTHRHWTYZFKVST-UHFFFAOYSA-N 342.738 4.012 5 40 EIBB O=C(c1ccccc1)[C@H](c1ccccc1)[C@H](O)c1ccc([N+](=O)[O-])cc1 1717806 AEHUBBXPVQRUNH-PZJWPPBQSA-N 347.370 4.295 5 40 EIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 5512936 SQBVEYQEWDHDIT-XCVCLJGOSA-N 347.168 4.009 5 40 EIBB Cc1ccc2[nH]c(C)c(CC(=O)OCc3csc([N+](=O)[O-])c3)c2c1 51029169 XWSGBJDESWGVLF-UHFFFAOYSA-N 344.392 4.040 5 40 EIBB Cc1cccc(N2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1C 57731275 VUBIZDTZHJRKJE-KRWDZBQOSA-N 339.439 4.095 5 40 EIBB O=C(O)[C@H](Cc1cccc([N+](=O)[O-])c1)Sc1ccc(Cl)cc1 225126974 IMILARNEDZDMRG-AWEZNQCLSA-N 337.784 4.036 5 40 EIBB O=C(OCc1cccc([N+](=O)[O-])c1)C1(c2ccc(F)cc2)CCCC1 3255226 WAUVSSIUNBYWDC-UHFFFAOYSA-N 343.354 4.289 5 40 EIBB COc1ccc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 25368018 UIWSFMOYMXLAEQ-GFCCVEGCSA-N 346.408 4.031 5 40 EIBB C[C@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)c1ccc([N+](=O)[O-])cc1 95968740 PPSYKEKEXFRLGF-GJZGRUSLSA-N 336.395 4.192 5 40 EIBB O=[N+]([O-])c1cccc2c1Sc1ccccc1[C@]2(O)c1ccccc1 4128669 PXYBCMHFNFSGEN-LJQANCHMSA-N 335.384 4.344 5 40 EIBB COc1ccc(NC(=O)Nc2cccc3ccccc23)c([N+](=O)[O-])c1 6642284 NLGMNJRDGHQILV-UHFFFAOYSA-N 337.335 4.401 5 40 EIBB CC(=O)c1c(C)cc(C)c(CN(C)Cc2ccccc2[N+](=O)[O-])c1C 26347719 QVROXXAOOCVLMZ-UHFFFAOYSA-N 340.423 4.355 5 40 EIBB C[C@H]1CCCC[C@H]1OCCNc1ccc([N+](=O)[O-])c2cccnc12 65609343 HKNNKNIBKFPDDF-SUMWQHHRSA-N 329.400 4.150 5 40 EIBB CC[C@@H](C)[C@H](C(=O)OCC[N+](C)(CC)CC)c1ccc(C)c(C)c1 1726201 ZHRSBUKHFWYWPO-UZLBHIALSA-N 334.524 4.463 5 40 EIBB Cc1cc(C(=O)CSc2ccc(Cl)cc2)c(O)c([N+](=O)[O-])c1 6188643 GWZALXDWWGDZQA-UHFFFAOYSA-N 337.784 4.237 5 40 EIBB CC[C@@H](C)n1cc(OC(C)=O)c2c1nc(C)n1c3ccccc3nc21 5484486 ACLPZPYDLNFYGF-LLVKDONJSA-N 336.395 4.042 5 40 EIBB C[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 225990284 PCTWRYREAASMPL-LBPRGKRZSA-N 344.798 4.157 5 40 EIBB Cc1ccc(C)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 13668356 BMTBCRZJPGGYPA-LBPRGKRZSA-N 332.787 4.356 5 40 EIBB O=[N+]([O-])c1ccc(CNN2[C@H]3CCCC[C@H]3C[C@H]3CCCC[C@H]32)cc1 19168252 XVQZTFSRIZIHRA-TZRIAGMCSA-N 343.471 4.423 5 40 EIBB O=C(Nc1ncc(-c2ccccc2)s1)c1csc([N+](=O)[O-])c1 44504468 FEWFVWWLSCTISH-UHFFFAOYSA-N 331.378 4.032 5 40 EIBB Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1[N+](=O)[O-] 170231430 GCKYTTYGTNQKLR-AWEZNQCLSA-N 338.407 4.273 5 40 EIBB Cc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 4524548 YTRPYZFLJDUJND-UHFFFAOYSA-N 349.730 4.026 5 40 EIBB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc([N+](=O)[O-])c1C 13994653 DZUCGQCZULUONF-MRXNPFEDSA-N 328.368 4.008 5 40 EIBB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1C 59285690 JNPCRAAFOIPRAS-HNNXBMFYSA-N 342.395 4.248 5 40 EIBB CSc1ccc(Cl)c(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 3240265 HXKJMFJUJQIJEN-UHFFFAOYSA-N 337.784 4.327 5 40 EIBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)s1 3392605 AERXOXZOZKPFCK-UHFFFAOYSA-N 332.164 4.225 5 40 EIBB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc([N+](=O)[O-])cc1 12895823 AWYJNJLNGVPZCW-INIZCTEOSA-N 330.771 4.129 5 40 EIBB O=C(Nc1ccc(Cl)c2cccnc12)c1ccc([N+](=O)[O-])cc1 25057292 FXHODNAQORRKTG-UHFFFAOYSA-N 327.727 4.049 5 40 EIBB O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 1685960 YVHJEPYISKAZDQ-UHFFFAOYSA-N 328.202 4.314 5 40 EIBB CCCCOc1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 3073504 GCLHQQNBSAYVHG-JLHYYAGUSA-N 340.379 4.426 5 40 EIBB CCOC(=O)Oc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 3844595 NBDLBSIMBYGDJR-UHFFFAOYSA-N 326.308 4.278 5 40 EIBB COC(=O)c1ccc(C[N+](C)(C)C[C@@H]2[C@@H](C)C=C(C)C[C@@H]2C)cc1 13644374 WBDRYJJPLIJBNL-ABSDTBQOSA-N 330.492 4.288 5 40 EIBB CC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1C 217896178 KGVDVKACIRFADF-YRVHBARZSA-N 338.407 4.492 5 40 EIBB O=CNc1ccccc1Sc1cc(C(F)(F)F)ccc1[N+](=O)[O-] 1682866 LWVJILAVVCHCKB-UHFFFAOYSA-N 342.298 4.333 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCSc2c(F)cccc21 12775641 MFYNJZWJJFTTEZ-AWEZNQCLSA-N 347.371 4.093 5 40 EIBB CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1C 217877429 PQONCAOXSXYPIY-KRWDZBQOSA-N 326.396 4.401 5 40 EIBB Cc1ccc(C)c2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc12 4331298 RVXDILGMMLSJDY-UHFFFAOYSA-N 327.365 4.074 5 40 EIBB CC1CCN(Cc2nc3ccccc3c3nc4ccccc4n23)CC1 12420729 DPAPSIKYULTIJH-UHFFFAOYSA-N 330.435 4.268 5 40 EIBB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 12930032 PUCMHMJAQPZZBK-MVGZEHJDSA-N 342.420 4.206 5 40 EIBB C[C@@H](Nc1ncc([N+](=O)[O-])c(NC2CC2)n1)c1ccc2ccccc2c1 26707423 XHZKLEPVVDCMFJ-GFCCVEGCSA-N 349.394 4.285 5 40 EIBB O=[N+]([O-])c1cc(F)ccc1Nc1ccc(OC[C@@H]2CCCO2)cc1 48260795 JMPOMTRAYRALNC-HNNXBMFYSA-N 332.331 4.035 5 40 EIBB O=[N+]([O-])c1ccc([C@@H]2NN=C(C34CC5CC(CC(C5)C3)C4)S2)cc1 59378151 UNDGXDDHBGMYOH-CVTKOYADSA-N 343.452 4.460 5 40 EIBB Cc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 580936 GIEHVPPGZMDPOM-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2)c(C(F)(F)F)c1 4115561 BFRXEPDACBYGRZ-UHFFFAOYSA-N 327.218 4.265 5 40 EIBB Cc1ccc2sc(NC(=O)c3ccc([N+](=O)[O-])s3)nc2c1C 4275349 QCVAIEVSANNALK-UHFFFAOYSA-N 333.394 4.135 5 40 EIBB COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 9141562 AWSWHTPZRKEYGL-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)cc1 20457875 ODUVQXHISHAEMC-INIZCTEOSA-N 348.786 4.138 5 40 EIBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(C)c(C)c1 218132714 UYKUBBRZGXPJNB-KRWDZBQOSA-N 326.396 4.401 5 40 EIBB O=C(Nc1nc2cc(Cl)ccc2s1)c1ccc([N+](=O)[O-])cc1 12651655 MKKHNECQTOPHIZ-UHFFFAOYSA-N 333.756 4.110 5 40 EIBB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 569028 SXPZZGGNELOGPL-GFCCVEGCSA-N 328.368 4.369 5 40 EIBB Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(C)c1 13141403 JVFLSQBBYPEOCZ-UHFFFAOYSA-N 325.368 4.038 5 40 EIBB O=c1oc2ccc3ccccc3c2cc1-c1ccc2c(c1)OCCO2 138791 LRDNJNNYFPAACE-UHFFFAOYSA-N 330.339 4.384 5 40 EIBB biogenic O=[N+]([O-])c1ccccc1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1685959 GDWGWQJEPVEVGE-UHFFFAOYSA-N 328.202 4.314 5 40 EIBB O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCc2ccccc2C1 3892361 RVNYDEFWVZBKLK-UHFFFAOYSA-N 338.388 4.008 5 40 EIBB NC(=O)c1ccccc1OCc1nc2ccccc2c2ccccc12 12513320 JSSLYWLGDYNEML-UHFFFAOYSA-N 328.371 4.066 5 40 EIBB Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)c1 16031700 RDHPJTLAQGMIFR-UHFFFAOYSA-N 339.395 4.064 5 40 EIBB Cc1[nH]c2ccccc2c1C(=O)COc1ccc([N+](=O)[O-])cc1Cl 3296001 DZJSJIDCXMUKRC-UHFFFAOYSA-N 344.754 4.300 5 40 EIBB Cc1cccc(C(=O)OCC(=O)c2ccc3ccccc3c2)c1[N+](=O)[O-] 4580235 KSXWQHCPOUVLMZ-UHFFFAOYSA-N 349.342 4.096 5 40 EIBB O=C(N[C@@H]1CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1Cl 5442871 MTAAXYBOHUPDRD-MRXNPFEDSA-N 330.771 4.056 5 40 EIBB Cc1c(C(=O)OCc2cccc([N+](=O)[O-])c2)oc2ccc(F)cc12 24202046 YPPBGVRKMNWTPR-UHFFFAOYSA-N 329.283 4.146 5 40 EIBB S=C(NCc1ccccc1)Nc1ccc2nc3ccccc3nc2c1 33401321 XVESPLXCJFERJR-UHFFFAOYSA-N 344.443 4.270 5 40 EIBB Cc1cc2cc3c4c(nn5cnnc5c4c2o1)-c1ccccc1CC3 1580054 SPEGHDNOJPGJJU-UHFFFAOYSA-N 326.359 4.098 5 40 EIBB COc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)cc1F 65568172 HBTVTPLVALKZCN-LLVKDONJSA-N 341.342 4.464 5 40 EIBB CCC(CC)c1nnc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)s1 151152 TYTRLMRGQHWINE-CMDGGOBGSA-N 346.412 4.002 5 40 EIBB CC(C)Oc1ccc([C@](O)(CC[N+](C)(C)C)C2CCCCC2)cc1 492680 NIWIKAJOROHSJI-NRFANRHFSA-N 334.524 4.338 5 40 EIBB CCOc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)ccc1O 5930958 RMXNWDGGLFLCBM-RMKNXTFCSA-N 336.347 4.418 5 40 EIBB C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 14268980 HWLKJZMXWFOZLC-CQSZACIVSA-N 339.395 4.226 5 40 EIBB O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2cccc(F)c2)CCCC1 3342277 XIRFEKGTEKYELH-UHFFFAOYSA-N 343.354 4.289 5 40 EIBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccccc1 3511200 CUTMJEKLNMWZEU-UHFFFAOYSA-N 330.339 4.303 5 40 EIBB Cc1ccc2c(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cccc2n1 8072087 VMQXULWYMMUNLO-PKNBQFBNSA-N 333.347 4.103 5 40 EIBB O=C(Nc1ccc(F)cc1NC1CC1)c1cc(Cl)ccc1[N+](=O)[O-] 84344423 OFZWISHFSDFTQY-UHFFFAOYSA-N 349.749 4.214 5 40 EIBB O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(-c2ccccc2)cn1 84562646 MRMJCOBOMAQPCQ-ACCUITESSA-N 345.358 4.309 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2cccs2)n1 12938525 BLCARXDXTHFTPB-UHFFFAOYSA-N 345.405 4.341 5 40 EIBB CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC)cc1 20489736 YQHIHQRQKFAUCB-OAHLLOKOSA-N 348.786 4.138 5 40 EIBB CC[N+](C)(CC)CC[N@@+](C)(CCc1ccccc1)Cc1ccccc1 247659370 RJLFBBSBIUUXKI-RUZDIDTESA-N 340.555 4.362 5 40 EIBB Cc1c(NC(=O)COc2ccc(Cl)c(C)c2C)cccc1[N+](=O)[O-] 1926736 JZPMTNYLJGGAMJ-UHFFFAOYSA-N 348.786 4.191 5 40 EIBB NCCCCNCCCCNCc1c2ccccc2cc2ccccc12 13522109 UNVARUKLODXTBJ-UHFFFAOYSA-N 349.522 4.191 5 40 EIBB Cc1ccccc1OCCNc1nc2ccc([N+](=O)[O-])cc2s1 59461240 YDERBFYFYGKFAS-UHFFFAOYSA-N 329.381 4.004 5 40 EIBB CCc1cc([N+](=O)[O-])cc(Br)c1N1CCCC[C@@H]1C 226315287 UNVFCVJPZJQKMV-JTQLQIEISA-N 327.222 4.299 5 40 EIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F 262008 LSDDCAGCTGTEOR-JXMROGBWSA-N 336.269 4.266 5 40 EIBB CCc1cccc2c(C(=O)COc3cc(F)ccc3[N+](=O)[O-])c[nH]c12 4975847 NATAUUZTDRHYEN-UHFFFAOYSA-N 342.326 4.039 5 40 EIBB O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CCCN(Cc2cccs2)C1 84339145 JIWRAYDSCMQLNM-ZDUSSCGKSA-N 349.431 4.120 5 40 EIBB Cc1cc2nc(Nc3nc4ccc([N+](=O)[O-])cc4s3)[nH]c2cc1C 3850518 XSZDTMCBCYPJFW-UHFFFAOYSA-N 339.380 4.441 5 40 EIBB Cc1ccc(CCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1Cl 12762449 FFLUXIMGWKIISV-UHFFFAOYSA-N 344.798 4.079 5 40 EIBB CC[N+](C)(CC)Cc1ccc(OC(C)C)c(C[N+](C)(CC)CC)c1 552543 SCTQOFGYLWLJFC-UHFFFAOYSA-N 336.564 4.447 5 40 EIBB O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccc(Cl)cc2)c(Cl)c1 30859496 SBWSOXDLBCRIAU-CQSZACIVSA-N 327.167 4.047 5 40 EIBB COc1cc(/C=C/c2nc3cc(Cl)ccc3o2)cc([N+](=O)[O-])c1O 35601135 SCFGXLIYQQBMHW-GORDUTHDSA-N 346.726 4.274 5 40 EIBB O=[N+]([O-])c1ccc(NCc2cc3cc(F)ccc3s2)c([N+](=O)[O-])c1 57997169 JWQMPXJUTCFZEY-UHFFFAOYSA-N 347.327 4.469 5 40 EIBB Cc1ccc(OCCCn2cnc3cc(C)c(C)cc32)c([N+](=O)[O-])c1 8708007 OXVZJJAPAOADCM-UHFFFAOYSA-N 339.395 4.339 5 40 EIBB O=[N+]([O-])c1ccc(CNN2[C@H]3CCCC[C@@H]3C[C@H]3CCCC[C@@H]32)cc1 19169398 XVQZTFSRIZIHRA-JYBIWHBTSA-N 343.471 4.423 5 40 EIBB CCc1cc([N+](=O)[O-])cc(Br)c1N1C[C@H](C)C[C@@H](C)C1 226315721 GJMDVYFVEQTRJA-GHMZBOCLSA-N 341.249 4.402 5 40 EIBB COc1cc(C=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 436570 OSAFDLLORPBBMX-UHFFFAOYSA-N 341.241 4.227 5 40 EIBB O=[N+]([O-])c1ccc(CCSCCc2ccc([N+](=O)[O-])cc2)cc1 1578308 OJSSDMPKJBCAIV-UHFFFAOYSA-N 332.381 4.021 5 40 EIBB Cc1ccc(N(C)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 58312030 OPDLXSRNJBZDRF-ZDUSSCGKSA-N 330.409 4.047 5 40 EIBB O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 71971767 RQQULLHYKRGJME-UHFFFAOYSA-N 326.333 4.114 5 40 EIBB Cc1cc(C)cc(CSCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 7208940 QFYLUOVSQWWQAX-UHFFFAOYSA-N 330.409 4.084 5 40 EIBB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 21619700 WCEYNHGVUNFFAI-HNNXBMFYSA-N 342.395 4.234 5 40 EIBB CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)C1CCCCC1 32927001 UVTUXJHNNZXRGO-IBGZPJMESA-N 342.443 4.065 5 40 EIBB O=C(Nc1cccnc1Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 40087986 KGIONRMHLUBLRM-UHFFFAOYSA-N 335.319 4.034 5 40 EIBB COc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1Br 73640115 UEOGFBJXPYAFMQ-UHFFFAOYSA-N 349.140 4.174 5 40 EIBB O=[N+]([O-])c1ccc([C@H]2[C@H]3C(c4ccccc4)=NC4(CCCC4)N32)cc1 20289152 SLIMGDFBHBKUFV-ZKTCVHQMSA-N 333.391 4.093 5 40 EIBB C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)c1nc(C2CC2)no1 84667683 SEDIQVWRZBDHSS-ZETCQYMHSA-N 348.409 4.318 5 40 EIBB Cc1cccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c1 5364265 RMWSXXHZNURABN-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB Clc1cccc(C[N+]23CC[N+](Cc4cccc(Cl)c4)(CC2)C3)c1 19319489 FVOWGHFDICSFJS-UHFFFAOYSA-N 349.305 4.312 5 40 EIBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccc1 12021759 NRIXJIPPSNLRIY-UHFFFAOYSA-N 332.359 4.442 5 40 EIBB O=C(c1c(-c2cccc([N+](=O)[O-])c2)cc2ccccn12)C(F)(F)F 26779897 BLHCEVWCGJMSGN-UHFFFAOYSA-N 334.253 4.260 5 40 EIBB Cc1ccnc(NCC2(c3ccncc3)CCCCC2)c1[N+](=O)[O-] 96011356 QDATVUOASRUIIA-UHFFFAOYSA-N 326.400 4.007 5 40 EIBB O=[N+]([O-])c1ccc(Oc2cccc(-c3cn[nH]c3)c2)c2ccncc12 58294128 INHBAGVOLPYQJP-UHFFFAOYSA-N 332.319 4.325 5 40 EIBB CCn1c(SCc2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 373488 WYRSPYXQDGIYCX-UHFFFAOYSA-N 340.408 4.166 5 40 EIBB Cc1cc(=O)oc2cc(Oc3ccc(Cl)cc3[N+](=O)[O-])ccc12 2625437 BMLOIWFXXNOHDI-UHFFFAOYSA-N 331.711 4.455 5 40 EIBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2ncsc2c1 14094658 WZASMJFLPPSELQ-LLVKDONJSA-N 341.392 4.038 5 40 EIBB C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 33191658 QVMMZHOXDDZNBG-YVFTVSHDSA-N 336.800 4.200 5 40 EIBB CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 4544128 RCNMHOKQPOMJAL-UHFFFAOYSA-N 334.759 4.288 5 40 EIBB COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 7475044 BEGIVBQSOCRZAW-LBPRGKRZSA-N 346.408 4.031 5 40 EIBB Cc1c(CN2CCC(N(C)c3ccccc3)CC2)cccc1[N+](=O)[O-] 65956285 DACLGYQTXNUDJT-UHFFFAOYSA-N 339.439 4.004 5 40 EIBB O=C(NC1CCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408922436 ASUPEQMVEPAZRV-XMHGGMMESA-N 336.391 4.194 5 40 EIBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cl)c(Cl)c1 5526640 TYGQAJOLMPRDIQ-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(Cl)cc1 563040 FMMVWSBOGXJJPZ-UHFFFAOYSA-N 336.800 4.287 5 40 EIBB Cc1c(C(=O)OCc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 3315688 VODTZZJWQJJASA-UHFFFAOYSA-N 339.269 4.279 5 40 EIBB Cc1nn2c(-c3cccc([N+](=O)[O-])c3)ccnc2c1-c1ccc(F)cc1 5484813 SNCRZCCGWNLOHW-UHFFFAOYSA-N 348.337 4.419 5 40 EIBB Cc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(Cl)c1 5637174 SPUBOOBYWKDNTI-UHFFFAOYSA-N 336.800 4.287 5 40 EIBB CCN(c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1)C(C)C 12643425 BFULCSUMRJSQOJ-UHFFFAOYSA-N 341.411 4.011 5 40 EIBB O=[N+]([O-])c1ccc(Nc2ccc(OC[C@H]3CCCO3)cc2)c(F)c1 40153798 FPFWCNZNPOBQKK-OAHLLOKOSA-N 332.331 4.035 5 40 EIBB CNc1cc(N2CCC(C(F)(F)F)CC2)c(Cl)cc1[N+](=O)[O-] 45221445 OIYAGEITNNHFTE-UHFFFAOYSA-N 337.729 4.069 5 40 EIBB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 505697 WNIZKJPRQFXNFM-GFCCVEGCSA-N 346.358 4.265 5 40 EIBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2cc1O 5669893 PEZKNFSSHHVHHC-UHFFFAOYSA-N 342.738 4.359 5 40 EIBB CN(C)[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)C1CCCCC1 32927003 UVTUXJHNNZXRGO-LJQANCHMSA-N 342.443 4.065 5 40 EIBB O=[N+]([O-])c1ccc2c(c1)C=C1CCCC[C@@]1(NCc1ccccc1)O2 55443945 UTPFNWORGGINAJ-HXUWFJFHSA-N 336.391 4.431 5 40 EIBB O=[N+]([O-])c1ccc(N2CCC[C@H]2Cc2cccc3ccccc23)nc1 60863914 XENXTWMERPFJNU-KRWDZBQOSA-N 333.391 4.355 5 40 EIBB COc1cc([N+](=O)[O-])ccc1-c1ccc(-c2nc3ccccc3[nH]2)o1 85345455 BBDVLKWAYUQWKJ-UHFFFAOYSA-N 335.319 4.407 5 40 EIBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1C[C@H]2CC[C@H]1C2 108337371 SRDSAHKDROUFHZ-MJVIPROJSA-N 343.408 4.093 5 40 EIBB CC(C)c1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 60538 IEDAJMIOMPPGMP-YVLHZVERSA-N 336.347 4.063 5 40 EIBB [O-][N+]12CCCC[C@@H]1[C@H]1C[C@H](C2)[C@H]2CCC[C@H](c3ccccc3)N2C1 104004398 ALIOABLFDVSQOG-HHKOESTPSA-N 326.484 4.099 5 40 EIBB O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 290944 WINJRQNPVAWXHC-IBGZPJMESA-N 345.358 4.366 5 40 EIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1Br 514179 ZDUVSNVINLBJKR-CMDGGOBGSA-N 347.168 4.009 5 40 EIBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)cc1 7037318 WCULTFHGSFLFDU-INIZCTEOSA-N 348.786 4.138 5 40 EIBB Cc1cc(C)c(C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 59399830 KJEUPANEXCQMMF-UHFFFAOYSA-N 348.786 4.191 5 40 EIBB COc1ccc2c(C)c(Sc3ccc([N+](=O)[O-])cc3)c(=O)oc2c1 3268863 PQBORLQNCSRUCR-UHFFFAOYSA-N 343.360 4.169 5 40 EIBB O=C(CSc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 4564175 CATSUJNGPZCCIU-UHFFFAOYSA-N 340.763 4.118 5 40 EIBB Cc1cc(NC(=O)c2cccc(F)c2)nc2c1c(=O)oc1ccccc12 428473 KSAGVZZYXFJBMB-UHFFFAOYSA-N 348.333 4.041 5 40 EIBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccoc1C 5364897 HBFMJPJWBUXGQQ-UHFFFAOYSA-N 344.396 4.067 5 40 EIBB CCC(=O)c1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 118143 JEVUSZVLRJXYQA-UHFFFAOYSA-N 333.727 4.060 5 40 EIBB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 20044706 JLUQDJXODFHSME-SFHVURJKSA-N 342.395 4.316 5 40 EIBB Cc1ccc(C2=NN[C@@H](c3ccc([N+](=O)[O-])c(Cl)c3)S2)cc1 59431950 TWOKVXKRCBANPI-OAHLLOKOSA-N 333.800 4.253 5 40 EIBB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 253599 ASKNXFKXBLWAGK-GFCCVEGCSA-N 348.786 4.271 5 40 EIBB CC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)c1ccccc12 5410966 PJZHFJDMHZBMPZ-CHWSQXEVSA-N 340.375 4.055 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc2ccccc12 15289270 GTBFWIPVISZWJI-UHFFFAOYSA-N 335.363 4.107 5 40 EIBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 223013139 BLAJTNJUKHECLV-IBGZPJMESA-N 338.407 4.355 5 40 EIBB Cc1ccc(/C(=C2/OC(=O)c3ccccc32)[N+](=O)[O-])c2ccccc12 3204967 FRDITHFLHLAUFD-HNENSFHCSA-N 331.327 4.421 5 40 EIBB Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2s1 5578311 GRNCKKOYWXLTEX-UHFFFAOYSA-N 327.365 4.074 5 40 EIBB CN(Cc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 7406462 HHMABKUGOCAFTE-UHFFFAOYSA-N 339.178 4.174 5 40 EIBB Cc1c(C(=O)Nc2ccc(OC3CCCC3)cc2)cccc1[N+](=O)[O-] 10542604 KAISAQRAYKDGSR-UHFFFAOYSA-N 340.379 4.477 5 40 EIBB O=[N+]([O-])c1cccc(Oc2ncnc3sc4c(c23)CCCC4)c1 13984983 IINJWLSSNGMRGJ-UHFFFAOYSA-N 327.365 4.271 5 40 EIBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccccc2O)o1 32891552 DRAWXCVJLTVYIN-JTQLQIEISA-N 343.364 4.204 5 40 EIBB Cc1c(C(=O)N2CC[C@@H](C)Sc3ccccc32)cccc1[N+](=O)[O-] 12857981 ZUTAWINGRAVZRL-GFCCVEGCSA-N 342.420 4.434 5 40 EIBB CC(C)c1ccc(CCCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 218163723 QMQSMEJRABEPOW-UHFFFAOYSA-N 340.423 4.010 5 40 EIBB CCCOc1ccc([C@](O)(CC[N+](C)(C)C)C2CCCCC2)cc1 1798302 ZSQJTOZTOGOMSQ-NRFANRHFSA-N 334.524 4.340 5 40 EIBB CCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 6330730 NISYJONDBHGMQD-UHFFFAOYSA-N 334.759 4.289 5 40 EIBB CCc1nc2c(c(C)c(C)n2C[C@@H]2CCCO2)c2nc3ccccc3n12 6665229 SOPFDJNMGDGEOB-HNNXBMFYSA-N 348.450 4.195 5 40 EIBB O=C(Nc1cccc2ncccc12)c1ccc(Cl)c([N+](=O)[O-])c1 7757872 IJUONIFWVAXSRP-UHFFFAOYSA-N 327.727 4.049 5 40 EIBB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 14258388 VWURNZREFXGHED-CYBMUJFWSA-N 342.395 4.434 5 40 EIBB Cc1c([C@@H](C)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 97220600 LJYDXHGZMGHADZ-GFCCVEGCSA-N 340.358 4.401 5 40 EIBB CCn1c(SCc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1 5311556 LEAOCXUKRRTITP-UHFFFAOYSA-N 340.408 4.166 5 40 EIBB O=[N+]([O-])c1cccnc1NCc1ccccc1COc1ccccc1 30521367 BSSZBINVZGQSKN-UHFFFAOYSA-N 335.363 4.181 5 40 EIBB NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(F)cc1 195611 YPAWOBODKDVGSO-ATJXCDBQSA-N 332.334 4.056 5 40 EIBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1ccccc1 4981603 ODNNQZPEJWHQRV-UHFFFAOYSA-N 341.245 4.134 5 40 EIBB O=C(OCc1cccc([N+](=O)[O-])c1)c1csc(-c2ccsc2)n1 25183403 PEKNCJKKQYOBBM-UHFFFAOYSA-N 346.389 4.137 5 40 EIBB Cc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 225991052 GQQZMRYFBYFCEQ-UHFFFAOYSA-N 330.771 4.227 5 40 EIBB CC(=O)Nc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 1261268 PGKRXPGXYXDZLW-UHFFFAOYSA-N 336.372 4.028 5 40 EIBB COc1ccccc1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 6911402 QXHYLELJWHWBLA-UHFFFAOYSA-N 326.274 4.234 5 40 EIBB O=C(NCc1cccc(Oc2ccccc2)c1)c1ccccc1[N+](=O)[O-] 32362408 VKEPYOFZEMJVKO-UHFFFAOYSA-N 348.358 4.317 5 40 EIBB O=[N+]([O-])c1cc(-c2nc(-c3c(F)cccc3F)no2)ccc1Cl 89262434 GBNNTIYKNHFILF-UHFFFAOYSA-N 337.669 4.243 5 40 EIBB CCc1ccc(CC)c(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 223453193 JYQWREOUKQPVEO-UHFFFAOYSA-N 346.814 4.303 5 40 EIBB O=C(Nc1ccc(C(F)(F)F)cc1)c1c(F)ccc([N+](=O)[O-])c1F 165795 IXWOXFCYHHCEBV-UHFFFAOYSA-N 346.211 4.144 5 40 EIBB O=[N+]([O-])c1ccc(CSc2ccc(-c3cccs3)nn2)cc1 17170189 DDZXAPCIEOEUOM-UHFFFAOYSA-N 329.406 4.406 5 40 EIBB CC(C)c1ccccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] 23078087 OYUWGOJTMHQSCG-UHFFFAOYSA-N 327.384 4.159 5 40 EIBB CC(=O)Nc1cc(N[C@H]2CCCc3ccccc32)c(F)cc1[N+](=O)[O-] 23079585 CXIWBXFEMUMOQV-HNNXBMFYSA-N 343.358 4.182 5 40 EIBB Cc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1C 6614442 TZBWGWCVKSVMKP-UHFFFAOYSA-N 339.395 4.064 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)cc2)on1 24371069 MMAUSPKMJCZLPR-UHFFFAOYSA-N 343.726 4.156 5 40 EIBB Cc1c(C=O)c2ccccc2n1C(=O)c1ccc([N+](=O)[O-])cc1Cl 216960979 YHUGSOWVYWDANJ-UHFFFAOYSA-N 342.738 4.012 5 40 EIBB C[C@H]1CCCCN1c1cc(N2CCCC[C@H]2C)c(C=O)cc1[N+](=O)[O-] 408976523 RWTVGFFGMXVUHR-CABCVRRESA-N 345.443 4.165 5 40 EIBB COc1ccccc1COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 87229 GVWASLQJCUPCOG-UHFFFAOYSA-N 327.258 4.201 5 40 EIBB CCCCNC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-] 1737381 GUAGVYQTSIEQQY-UHFFFAOYSA-N 341.578 4.444 5 40 EIBB Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 11234046 YANSJXZOMSOXRR-KRWDZBQOSA-N 344.798 4.438 5 40 EIBB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c3c(cccc13)CC2 25254974 FOYREVMXHVRGFL-UHFFFAOYSA-N 346.386 4.119 5 40 EIBB Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])c1 4278949 SWMVCYRHDHLISW-UHFFFAOYSA-N 349.730 4.026 5 40 EIBB COc1cc2ccc3c4cc5c(cc4cnc3c2cc1OC)OCO5 13281547 QXCAYUPXIKIDRW-UHFFFAOYSA-N 333.343 4.287 5 40 EIBB Cc1ccc([N+](=O)[O-])c(OCc2ccc(OC[C@H]3CCCO3)cc2)c1 89623902 SOYUFXIAZCJBJS-QGZVFWFLSA-N 343.379 4.040 5 40 EIBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccc2ccccc2c1 58896 DTSIITCTHMWXEC-LDADJPATSA-N 344.326 4.093 5 40 EIBB COc1ccc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1C 381029 MYDIPODUZWMDRD-UHFFFAOYSA-N 346.358 4.012 5 40 EIBB Cc1cc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1C(C)C 8147883 RDLZZVAQGPTTDP-UHFFFAOYSA-N 349.408 4.222 5 40 EIBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1ccncc1 43342402 XEENOWWDDGORQD-OAHLLOKOSA-N 346.774 4.012 5 40 EIBB Cc1cc(C)cc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 409266206 PEGLCZXYLFHSLS-UHFFFAOYSA-N 344.436 4.392 5 40 EIBB COc1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1[N+](=O)[O-] 4844197 STGCTENPWULGTQ-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB CC[C@H](C)c1ccccc1NC(=O)COc1cc(F)ccc1[N+](=O)[O-] 6510391 JPKAABQGAOOJHL-LBPRGKRZSA-N 346.358 4.265 5 40 EIBB O=C(Nc1cccc2cnccc12)c1ccc([N+](=O)[O-])cc1Cl 7655292 DMBPMTDFXDDHFW-UHFFFAOYSA-N 327.727 4.049 5 40 EIBB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 9190784 CLSIPSOXBVONOZ-CYBMUJFWSA-N 330.409 4.331 5 40 EIBB CN(C(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 37088578 AXBVZFPCNLJWAE-INIZCTEOSA-N 325.368 4.136 5 40 EIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(Cl)cc1 72228828 LWPLUDQIABTPBG-UHFFFAOYSA-N 348.786 4.137 5 40 EIBB O=[N+]([O-])c1cc(Br)ccc1OC(Cl)(Cl)Cl 95215657 XDUOBPAPGIJGSB-UHFFFAOYSA-N 335.368 4.064 5 40 EIBB C[N@+]12CCCC[C@@H]1[C@@H](COc1ccccc1Br)CCC2 247661025 SEPYUZLOJMQPCJ-IDHHARJASA-N 339.297 4.237 5 40 EIBB biogenic,in-vitro O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc([N+](=O)[O-])o1 3253590 AAVIFQUCARHQMN-UHFFFAOYSA-N 349.755 4.217 5 40 EIBB COC(=O)c1ccc(C[N+](C)(C)C[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)cc1 4981729 WBDRYJJPLIJBNL-ZWOKBUDYSA-N 330.492 4.288 5 40 EIBB Cc1ccc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2n1 5218549 JIDSINRKRCZKNU-UHFFFAOYSA-N 325.280 4.152 5 40 EIBB O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 11201332 LEXTZQUYPJMPFI-MRXNPFEDSA-N 330.771 4.129 5 40 EIBB O=[N+]([O-])c1cc(F)ccc1Nc1ccc(Oc2cnccn2)cc1 58077502 ZTHYVUBRDDMACN-UHFFFAOYSA-N 326.287 4.060 5 40 EIBB COc1ccc(NC(=N)SCc2cccc([N+](=O)[O-])c2C)cc1 84041626 ILCZAHZWMHJSEC-UHFFFAOYSA-N 331.397 4.192 5 40 EIBB CC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C)c(C)c1 217895984 BKOTVFYIBVBFHC-YRVHBARZSA-N 338.407 4.492 5 40 EIBB Cc1c2ccncc2c(C)c2c1[nH]c1ccc(OCCN(C)C)cc12 1578025 FGFDMBHOYCMKEJ-UHFFFAOYSA-N 333.435 4.427 5 40 EIBB O=[N+]([O-])c1ccc(Oc2cc(F)c(F)cc2Br)cc1 95836325 UKDLNEROIATKBP-UHFFFAOYSA-N 330.084 4.428 5 40 EIBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1Cl 3302482 PMTZYXBRULWTHW-UHFFFAOYSA-N 326.135 4.259 5 40 EIBB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 4531904 UTZCIAJCQOAVLS-CQSZACIVSA-N 339.395 4.427 5 40 EIBB Cc1nnc2c([N+](=O)[O-])c(-c3ccccc3)c3cc(Cl)ccc3n12 506510 YRWXCABVDIFFSX-UHFFFAOYSA-N 338.754 4.420 5 40 EIBB S=C(Nc1ccc2nc3ccccc3nc2c1)N1CCCCCC1 108043337 PUZWQRAZZGPSRJ-UHFFFAOYSA-N 336.464 4.356 5 40 EIBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 223013082 BLAJTNJUKHECLV-LJQANCHMSA-N 338.407 4.355 5 40 EIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(C(C)C)cc1 10365809 NLACUNRXROYMLX-UHFFFAOYSA-N 342.395 4.298 5 40 EIBB CC(C)C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 18131208 WHGRZSBAIZOGCS-QGZVFWFLSA-N 326.396 4.041 5 40 EIBB Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 12766944 JRIPZJAURWJQBT-NSHDSACASA-N 334.372 4.162 5 40 EIBB COc1ccc(NC(=O)N[C@H](C)c2cc(C)ccc2C)c([N+](=O)[O-])c1 32895377 JDJYSDLNCSDCMB-CYBMUJFWSA-N 343.383 4.103 5 40 EIBB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 222957338 GDKUQIWRUGNNAG-KRWDZBQOSA-N 342.395 4.316 5 40 EIBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccccc1F)N2 409188830 GQEUSXRQDHUZLM-JEBQAFNWSA-N 328.343 4.368 5 40 EIBB O=[N+]([O-])c1ccc(Cl)c([C@@H]2SCc3nc4ccccc4n32)c1 5545933 MYXKHRSTGNIYQC-HNNXBMFYSA-N 331.784 4.392 5 40 EIBB O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CCCC1 7512653 UZTSLUHGGZASTK-UHFFFAOYSA-N 325.364 4.150 5 40 EIBB O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 16778521 CFNDRRSVECAFNA-UHFFFAOYSA-N 349.268 4.158 5 40 EIBB Cc1ccc(CN(C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 40098669 ILBQUXSGQQMHKL-UHFFFAOYSA-N 333.775 4.221 5 40 EIBB CC(C)CNC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 7062839 GMEDOBKYZLEIBI-UHFFFAOYSA-N 348.399 4.271 5 40 EIBB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1 10030070 UAOHNBRPLQLPHN-NSHDSACASA-N 326.381 4.233 5 40 EIBB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1C 44900201 MSGNWLCCEKZORC-OAHLLOKOSA-N 348.786 4.353 5 40 EIBB Cc1ccc([C@H]2CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)s1 87297197 YJQPWRPOTKWJLO-MRXNPFEDSA-N 344.436 4.261 5 40 EIBB C[N+](C)(CCCC[N+](C)(C)Cc1ccccc1)Cc1ccccc1 1704445 RHGVXBKDJLUNND-UHFFFAOYSA-N 326.528 4.320 5 40 EIBB Cc1cc(C)c2nc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2c1 5637477 FTXMRFODKKNMSN-UHFFFAOYSA-N 341.392 4.382 5 40 EIBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(c1)CCCC2 7067106 SWXUHRNYXSWJAI-CQSZACIVSA-N 338.407 4.307 5 40 EIBB Cc1ccc2c(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cccc2n1 59294079 INHNFFFPPJFKEA-UHFFFAOYSA-N 341.754 4.357 5 40 EIBB Cc1ccc(OCCNc2ccc([N+](=O)[O-])c3cccnc23)c(C)c1 59463909 OKNLBWXYCBXYGL-UHFFFAOYSA-N 337.379 4.251 5 40 EIBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCCCCCC1 84335149 ZVPWEYCVSQNQTO-UHFFFAOYSA-N 347.293 4.292 5 40 EIBB CCc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 4668219 XTSUKPZCISQMJF-UHFFFAOYSA-N 339.395 4.010 5 40 EIBB Cc1cccc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1[N+](=O)[O-] 12906254 GNQIZJBCCARJKS-CYBMUJFWSA-N 338.363 4.483 5 40 EIBB O=C(Nc1cnc2ccccc2c1)c1cc(Cl)ccc1[N+](=O)[O-] 25055497 AOUJXNMQSPIFDN-UHFFFAOYSA-N 327.727 4.049 5 40 EIBB O=[N+]([O-])c1ccc(CSc2cc3ccccc3[nH]2)c([N+](=O)[O-])c1 2171444 KKZWXRGXGSAWTN-UHFFFAOYSA-N 329.337 4.277 5 40 EIBB O=[N+]([O-])c1cc(CSc2ncc(-c3ccc(F)cc3)[nH]2)cs1 84419578 BOCFDWXZIWLRIA-UHFFFAOYSA-N 335.385 4.478 5 40 EIBB Cc1ccc(-n2nc(C)c(/C=C/c3onc(C)c3[N+](=O)[O-])c2C)cc1 205191 OHCUMKPUHHBWNH-MDZDMXLPSA-N 338.367 4.173 5 40 EIBB Cc1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 3071169 MODZGEMCCGWWSB-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1ccc2c(c1)OCCO2 8165158 CUJDWPLYZIURSB-UHFFFAOYSA-N 340.257 4.128 5 40 EIBB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc([N+](=O)[O-])o1 30317238 HNABSXQSCINLKW-QMMMGPOBSA-N 343.166 4.328 5 40 EIBB O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3c(F)cccc3F)no2)c1 89262471 VQFSQXICMAEJTE-UHFFFAOYSA-N 337.669 4.243 5 40 EIBB C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCC(=O)N2 40153749 KXGBAUFOFYPQHI-JTQLQIEISA-N 345.786 4.306 5 40 EIBB O=C(N[C@H](c1cccs1)C1CCCC1)c1csc([N+](=O)[O-])c1 84436937 KTVNHWMJQOBMFG-AWEZNQCLSA-N 336.438 4.379 5 40 EIBB Cc1nc2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2s1 5578186 QUFZEYMATVAKAL-UHFFFAOYSA-N 327.365 4.074 5 40 EIBB Cc1ccc2cccc(CCOC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 1599213 NRTPRUKGIKSJRU-UHFFFAOYSA-N 335.359 4.456 5 40 EIBB Cc1ccc(-c2nc(COc3ccc(C)nc3[N+](=O)[O-])cs2)cc1 5689425 GXBSBVMMUNIPCR-UHFFFAOYSA-N 341.392 4.309 5 40 EIBB Cc1c(NC(=O)CSc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 566976 NOEJTSJSLRQJRX-UHFFFAOYSA-N 336.800 4.287 5 40 EIBB O=C(c1ccc(F)cc1)c1ccc(Oc2ncccc2[N+](=O)[O-])cc1 7185988 JZGVKOQQBNVRCS-UHFFFAOYSA-N 338.294 4.152 5 40 EIBB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 9190782 CLSIPSOXBVONOZ-ZDUSSCGKSA-N 330.409 4.331 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCSc2ccc(F)cc21 12983539 GSLJBEJNDUPLKK-AWEZNQCLSA-N 347.371 4.093 5 40 EIBB COc1ccc([C@H](CC(C)C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 30755788 QVGFPPISLXTAAK-SFHVURJKSA-N 342.395 4.121 5 40 EIBB C[N+]1([O-])CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1 77301644 FDAHLWKMNJCURA-UHFFFAOYSA-N 325.433 4.027 5 40 EIBB in-vitro Cc1ccc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 367993 ZMTLLFOBDMILIS-UHFFFAOYSA-N 327.365 4.246 5 40 EIBB CCCCN(C)c1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12 1774817 MDDCKWACBAFWGH-UHFFFAOYSA-N 336.395 4.441 5 40 EIBB COc1ccc(CN(C2CC2)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] 71841052 MYUBXSRHDQGDJR-SFHVURJKSA-N 338.407 4.255 5 40 EIBB CCc1cc([N+](=O)[O-])cc(Br)c1N1C[C@@H](C)C[C@H](C)C1 226315732 GJMDVYFVEQTRJA-QWRGUYRKSA-N 341.249 4.402 5 40 EIBB Cc1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 5619493 GOOGEHDIDCYJME-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1Cl 5717278 QHFYPQBROBQTIE-UHFFFAOYSA-N 325.151 4.083 5 40 EIBB COc1ccc(-n2ccnc2SCc2ccc([N+](=O)[O-])cc2)cc1 8725495 NMJVHTZUTCYJGB-UHFFFAOYSA-N 341.392 4.081 5 40 EIBB O=[N+]([O-])c1cnc(N[C@@H](CC2CCOCC2)c2ccccc2)s1 225696461 FGVWPMYXQIWINO-AWEZNQCLSA-N 333.413 4.021 5 40 EIBB O=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCCCC1 408993621 DSFCCYSXFKJQHN-UHFFFAOYSA-N 345.406 4.282 5 40 EIBB NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1cccc(F)c1 195609 OFHWRGFFQMOWMF-ATJXCDBQSA-N 332.334 4.056 5 40 EIBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc2cc(Cl)ccc2o1 8075125 NCPAJPPOVUOBAM-UHFFFAOYSA-N 334.690 4.386 5 40 EIBB CCN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 47611713 LHSKZDXTFRLZNK-UHFFFAOYSA-N 333.775 4.302 5 40 EIBB CC1CCN(C(=S)Nc2cc3ncccc3c3cccnc23)CC1 408975480 MDRSALSJMDBACY-UHFFFAOYSA-N 336.464 4.212 5 40 EIBB CCCCn1c2nc3ccccc3nc2c2c(=O)n([C@H](C)CC)cnc21 2407019 IYVRFRDBQGMBLA-CYBMUJFWSA-N 349.438 4.066 5 40 EIBB CCc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])s3)nc12 4348389 WPFVIFAOYXBFKM-UHFFFAOYSA-N 333.394 4.081 5 40 EIBB Cc1c(C(=O)Nc2nc3c(C)ccc(C)c3s2)cccc1[N+](=O)[O-] 14258014 KJPSJUPFQSTWAG-UHFFFAOYSA-N 341.392 4.382 5 40 EIBB CCCOc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OCC 107631127 XJDGQIKZGRLULF-VQHVLOKHSA-N 332.356 4.249 5 40 EIBB [O-][n+]1c(-c2ccccc2)n(O)c2c3ccccc3c3ccccc3c21 6885722 QILLNJLDTZONGW-UHFFFAOYSA-N 326.355 4.485 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1SC(F)(F)F 32816249 RYEJNSRGWLIYFY-UHFFFAOYSA-N 342.298 4.459 5 40 EIBB O=C(NCc1ccccc1)Nc1cc2ccncc2c2ncccc12 33787135 ONNGGRXCRNBXTR-UHFFFAOYSA-N 328.375 4.105 5 40 EIBB CN(c1ccccc1)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 44570894 LDXBCHROGLJRFR-UHFFFAOYSA-N 337.335 4.208 5 40 EIBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccccc1Br 45888908 XLPVABCLYXGCJZ-UHFFFAOYSA-N 349.184 4.226 5 40 EIBB O=[N+]([O-])c1ccc(F)c(NC(=S)Nc2ccc(Cl)cc2)c1 6863345 IEVVGUULBOEKMU-UHFFFAOYSA-N 325.752 4.196 5 40 EIBB Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 7685990 ZBSACSIJCJWDFX-FQEVSTJZSA-N 346.386 4.423 5 40 EIBB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 7943217 KLJNUSPPNMLRPK-UHFFFAOYSA-N 345.405 4.341 5 40 EIBB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1C 12137660 NYWASQNRIXXPBW-KRWDZBQOSA-N 328.368 4.008 5 40 EIBB CC(=O)c1ccc(Nc2cccc(CN3CCCC3)c2)c([N+](=O)[O-])c1 83843721 BTQYQLBRNQVQOJ-UHFFFAOYSA-N 339.395 4.137 5 40 EIBB Cc1c([C@H](C)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 97220602 LJYDXHGZMGHADZ-LBPRGKRZSA-N 340.358 4.401 5 40 EIBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc2ccccc2o1 145467 SLGRECCVOSQBHQ-UHFFFAOYSA-N 339.332 4.203 5 40 EIBB O=[N+]([O-])c1cc2c(c(CSc3ccc(Cl)cc3)c1)OCOC2 2618570 VQTCWRXJDQKDEM-UHFFFAOYSA-N 337.784 4.407 5 40 EIBB O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1c1cccs1 65567751 CHDWBOPXEFCKDJ-HNNXBMFYSA-N 341.392 4.115 5 40 EIBB O=[N+]([O-])c1cccc2cc(Br)c(Br)cc12 196685606 XWFDLKHNKOEYSQ-UHFFFAOYSA-N 330.963 4.273 5 40 EIBB CCC(=O)Oc1cn(C2CC2)c2nc(CC)n3c4ccccc4nc3c12 13237859 JJONTLFVMZEZSG-UHFFFAOYSA-N 348.406 4.050 5 40 EIBB C[N+]12CCCC[C@@H]1[C@@H](OC(=O)C1(c3ccccc3)CCCC1)CCC2 12891164 ZIVXSNSWRIBHKJ-ZCQKWSGTSA-N 342.503 4.203 5 40 EIBB O=C(OCc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 3514242 NUQNAXAFLCLWHN-UHFFFAOYSA-N 326.135 4.259 5 40 EIBB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(N)cc2s1 5586876 YPMKUIXZFIURAZ-UHFFFAOYSA-N 347.421 4.088 5 40 EIBB O=C(NCc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1Cl 45201243 LNZMZFUACHROMT-UHFFFAOYSA-N 340.766 4.331 5 40 EIBB CCOc1ccc(C(=O)OCC[C@H]2CCC[N+]3(C)CCCC[C@H]23)cc1 517297 JKGLLRLAYPIYPO-IKQMYLSPSA-N 346.491 4.041 5 40 EIBB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc([N+](=O)[O-])cc1 569326 KOSDVCPJQROWRP-UHFFFAOYSA-N 333.756 4.110 5 40 EIBB CCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC 5978834 JLGLMPMIDBEXTL-UHFFFAOYSA-N 344.367 4.035 5 40 EIBB O=C(N[C@H](c1ccccc1)c1cccs1)c1ccc([N+](=O)[O-])s1 12266083 LZZXBNRTFXDHTM-OAHLLOKOSA-N 344.417 4.237 5 40 EIBB C[C@H](NC(=O)N(C)Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 58175550 XGIJYYIORDVTOV-LBPRGKRZSA-N 347.802 4.151 5 40 EIBB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc([N+](=O)[O-])s1 84256 ABDBNZVMPUBXCE-UHFFFAOYSA-N 349.368 4.171 5 40 EIBB CC(C)Oc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 5727341 DFLNJSTXANUQKN-UHFFFAOYSA-N 334.759 4.288 5 40 EIBB Cc1cc(C)c(C(=O)OC[C@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1C 6188667 HXRDLTAYKDJZSA-XAFCGNCNSA-N 330.492 4.178 5 40 EIBB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 13994623 RHFHHBQVNPDCIG-MRXNPFEDSA-N 328.368 4.008 5 40 EIBB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc([N+](=O)[O-])cc1 5540954 UNSZQYKNIOVVIT-UHFFFAOYSA-N 348.786 4.354 5 40 EIBB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 505695 IAUBDTWVTAYECT-CYBMUJFWSA-N 328.368 4.126 5 40 EIBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OC(C)C 408543182 NACXHDIVIIXDLV-CLFYSBASSA-N 332.356 4.248 5 40 EIBB CC(=O)O[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C(Cl)(Cl)Cl 3202824 DFWRZWVVGZOISB-VIFPVBQESA-N 346.981 4.223 5 40 EIBB C[C@H](Sc1nnc(-c2ccccc2)n1C)c1cccc([N+](=O)[O-])c1 8744585 YWXYDIYACOLNGG-LBPRGKRZSA-N 340.408 4.244 5 40 EIBB Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-] 12944831 OJPZJXFCLLRXPH-KRWDZBQOSA-N 344.798 4.438 5 40 EIBB CC[C@H](Oc1ccccc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 13994620 RHFHHBQVNPDCIG-INIZCTEOSA-N 328.368 4.008 5 40 EIBB O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccc(Cl)c(Cl)c1 21808160 XRVMQPPKYNHWQQ-UHFFFAOYSA-N 327.123 4.343 5 40 EIBB O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3ccccc3)CC2)c(Cl)c1 22406160 ADDNPEUZWRZOKC-GOSISDBHSA-N 346.814 4.198 5 40 EIBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cc2cc(Cl)ccc2o1 24209961 VLJHCTVNULFORW-UHFFFAOYSA-N 331.711 4.351 5 40 EIBB Cc1cc(OCc2coc(-c3cccc(F)c3)n2)ccc1[N+](=O)[O-] 26050839 VRBKHSJWDSSHFR-UHFFFAOYSA-N 328.299 4.276 5 40 EIBB Cc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3Cl)ccc12 3370428 PYCHAKFLHGQIMA-UHFFFAOYSA-N 331.711 4.455 5 40 EIBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc(O)cc1 3510600 DTNXJHPSYJRKFL-UHFFFAOYSA-N 346.338 4.009 5 40 EIBB CCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 60515198 YTILAISYGBFIGD-UHFFFAOYSA-N 344.367 4.035 5 40 EIBB Cc1[nH]c2ccccc2c1[C@@H](c1ccc2c(c1)OCO2)[C@H](C)[N+](=O)[O-] 121956 HBTJDPLUCRBUDO-HXPMCKFVSA-N 338.363 4.002 5 40 EIBB Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cs1 169472 NZLCFBQFGGLFTP-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB CC(C)=Cc1oc2ccc([N+](=O)[O-])cc2c1N1C[C@H](C)O[C@@H](C)C1 5577204 YIRDBVFDSROVBN-STQMWFEESA-N 330.384 4.378 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(OC(C)C)cc1 32925339 MADLVVTZEOTWOO-UHFFFAOYSA-N 343.383 4.012 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2cccc(Cl)c2)on1 40087682 MLUJMJBQDPPCTK-UHFFFAOYSA-N 343.726 4.156 5 40 EIBB Cc1ccccc1CN(Cc1cccnc1)c1cc(C)c([N+](=O)[O-])cn1 89689347 ZXNKMJKXENFCKS-UHFFFAOYSA-N 348.406 4.208 5 40 EIBB CCc1cccc2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc12 4348597 ZEPFGEMXTCXDTQ-UHFFFAOYSA-N 327.365 4.019 5 40 EIBB COc1ccc(NC(=O)Nc2cc3ccncc3c3ncccc23)cc1 408976105 PDGGQAIMTMFQLE-UHFFFAOYSA-N 344.374 4.436 5 40 EIBB COc1ccc(OC)c(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 55050703 BCKWJKCPOSFESO-UHFFFAOYSA-N 342.376 4.403 5 40 EIBB CC(C)(C)c1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 8156556 RMJFPKDYDPKEHQ-UHFFFAOYSA-N 343.379 4.338 5 40 EIBB O=[N+]([O-])c1cc(NCc2nc(-c3ccc(Cl)cc3)no2)ccc1F 12689029 LWZSLXODHGTVFH-UHFFFAOYSA-N 348.721 4.049 5 40 EIBB CC[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Br)cc1 22806924 DQFPIHUPSDJSNT-CYBMUJFWSA-N 336.189 4.316 5 40 EIBB O=C(N[C@H](c1cccs1)C1CCCC1)c1ccccc1[N+](=O)[O-] 31806520 KNITWVZUTWVGPK-INIZCTEOSA-N 330.409 4.318 5 40 EIBB Cc1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 97102848 OTAOOTNFYCVPED-UHFFFAOYSA-N 346.361 4.381 5 40 EIBB O=[N+]([O-])c1cc(-c2n[nH]c(-c3ccc(Cl)cc3)n2)ccc1Cl 40169666 JOSZUTBOJXBAGL-UHFFFAOYSA-N 335.150 4.354 5 40 EIBB O=C(O[C@H]1C[C@@]23CC=CC[C@@]12CCCC3)c1ccc([N+](=O)[O-])cc1 45027837 GHVXUURYWQXWHI-YTQUADARSA-N 327.380 4.421 5 40 EIBB Cc1ccc([C@H]2CCCN2c2nc3ccccn3c2[N+](=O)[O-])cc1C 63859345 NXXLFQGEGVXPMF-MRXNPFEDSA-N 336.395 4.201 5 40 EIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1cccc2ccccc12 222825541 HKDUHENAYVXUMA-VAWYXSNFSA-N 332.359 4.078 5 40 EIBB O=C(Nc1ccc2c(=O)c3ccccc3oc2c1)c1ccccc1F 6660502 YNGLHCZQWBZADO-UHFFFAOYSA-N 333.318 4.338 5 40 EIBB Cc1cccc(C(C)C)c1NC(=O)CCNc1ccccc1[N+](=O)[O-] 24992674 FCAXFJMTRGXUDX-UHFFFAOYSA-N 341.411 4.467 5 40 EIBB Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] 13020748 OGWDSDQFXYGUIA-UHFFFAOYSA-N 330.771 4.227 5 40 EIBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCSc2ccc(Cl)cc21 32802025 KMSQQQAZZWNHAR-UHFFFAOYSA-N 334.784 4.001 5 40 EIBB O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc(Cl)cc1 426928 ALEFJTLNGFMRSE-UHFFFAOYSA-N 333.774 4.158 5 40 EIBB O=[N+]([O-])c1cccc(-n2cc(-c3cccc(C(F)(F)F)c3)cn2)c1 1391982 INPKHZBYYMLBTH-UHFFFAOYSA-N 333.269 4.466 5 40 EIBB CSc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc12 5299213 OYBLPJROEHOFSM-UHFFFAOYSA-N 345.405 4.179 5 40 EIBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ncc(-c2ccccc2)o1 96404454 BJNHSNZCDJWPDS-CQSZACIVSA-N 337.379 4.443 5 40 EIBB Cc1ccc(O[C@H](C)c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 6426867 RHZHSXZENOMTQH-GFCCVEGCSA-N 325.324 4.093 5 40 EIBB Cc1nc(Oc2ccc([N+](=O)[O-])cc2)c2c3c(sc2n1)CCC3 8080341 SOOMNFKRQHREDN-UHFFFAOYSA-N 327.365 4.189 5 40 EIBB Cc1c(C(=O)Nc2ccccc2SC(F)F)cccc1[N+](=O)[O-] 14603377 UDDFAPAHJQCWCF-UHFFFAOYSA-N 338.335 4.470 5 40 EIBB COc1cc([N+](=O)[O-])cc2sc(Nc3nc4ccccc4o3)nc12 57352542 QIYKMKWEXRVWKF-UHFFFAOYSA-N 342.336 4.098 5 40 EIBB Cc1cc(C)c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)c1 2658147 GZNVUXATCANWEB-UHFFFAOYSA-N 330.409 4.251 5 40 EIBB CC1CCN(c2cc(NC(=O)C(C)C)c(Cl)cc2[N+](=O)[O-])CC1 45891883 CAWMPDVNUPJQJD-UHFFFAOYSA-N 339.823 4.079 5 40 EIBB Cc1ccc(Oc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])cn1 390835233 HDVJCMPTAYFDEP-UHFFFAOYSA-N 349.215 4.140 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc2ccccc2c1 493256 UZOHSNJTACVIEY-UHFFFAOYSA-N 336.347 4.074 5 40 EIBB O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccc([N+](=O)[O-])s1 12622259 RNKQKNYSNNJDFO-UHFFFAOYSA-N 349.368 4.171 5 40 EIBB C[N+](C)(C)CCCN1c2ccccc2[S@@](=O)c2ccc(Cl)cc21 4824588 NTLUSIBKSWJYOE-QHCPKHFHSA-N 349.907 4.055 5 40 EIBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccccc1Cl)N2 7093229 KQHDTAOOWCJQPP-OAUYIBNBSA-N 330.771 4.493 5 40 EIBB O=[N+]([O-])c1ccc2ncnc(Nc3ccc(N4CCCCC4)cc3)c2c1 12082692 PRACBCOCIKBIQU-UHFFFAOYSA-N 349.394 4.272 5 40 EIBB Cc1nc(NC(=O)c2ccccc2[N+](=O)[O-])sc1-c1ccccc1 31968413 HXTPGDNYZZFJMM-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12 5107707 WZGONQBYSXYNLG-ZDUSSCGKSA-N 336.347 4.154 5 40 EIBB Cc1cc(Cl)ccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 13140877 DVYXVKPSGJHVAO-UHFFFAOYSA-N 345.786 4.383 5 40 EIBB COC(=O)c1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3s2)cc1 226032 ZIQGJRYPXPWPKX-UHFFFAOYSA-N 348.767 4.312 5 40 EIBB CC[C@H](COC(=O)c1ccc([N+](=O)[O-])cc1)NCCC1CCCCC1 1710529 LTXZXLGWNMJNAS-QGZVFWFLSA-N 348.443 4.090 5 40 EIBB CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCc2ccccc21 23151910 RETZYQNEGWCEFM-KRWDZBQOSA-N 344.798 4.398 5 40 EIBB CCC(=O)c1ccc(OC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 3553840 FNECGTKQJWTYQD-UHFFFAOYSA-N 345.376 4.129 5 40 EIBB Cc1ccc(Cl)c2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc12 4330830 JKKUYDWDMOPEMY-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB COc1cc2ccccc2cc1C(=O)Nc1cccc([N+](=O)[O-])c1C 19164647 WGSDEAHXGIGDMC-UHFFFAOYSA-N 336.347 4.317 5 40 EIBB O=[N+]([O-])c1ccc(OCc2nnc(-c3ccccc3Cl)o2)cc1F 67015932 XXAWKCMAOYEAEB-UHFFFAOYSA-N 349.705 4.016 5 40 EIBB O=[N+]([O-])c1cc(NCc2nnc(-c3cccc(Cl)c3)o2)ccc1F 95966021 QIIGUOVRPNBGOB-UHFFFAOYSA-N 348.721 4.049 5 40 EIBB Cc1cc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1Cl 21381938 XZFUMUZZAQYEFW-LBPRGKRZSA-N 348.786 4.271 5 40 EIBB O=[N+]([O-])c1cccc(CN2CCn3cccc3[C@H]2c2ccccc2)c1 30588877 VPNGCEAOPFCEFC-HXUWFJFHSA-N 333.391 4.002 5 40 EIBB C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)c1nc(C2CC2)no1 84667685 SEDIQVWRZBDHSS-SSDOTTSWSA-N 348.409 4.318 5 40 EIBB Cc1nn2c(-c3cccc([N+](=O)[O-])c3)ccnc2c1-c1ccccc1 5353144 FFZBMSNGEKNGOA-UHFFFAOYSA-N 330.347 4.280 5 40 EIBB COc1ccccc1C(=O)Nc1ccc2c(=O)c3ccccc3oc2c1 6660323 ZHCLQQSJBSNHBE-UHFFFAOYSA-N 345.354 4.207 5 40 EIBB CCC(=O)Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl 45891824 FJIYHXNAVBDCTO-UHFFFAOYSA-N 325.796 4.341 5 40 EIBB CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3cccc(Cl)c3)oc12 73641940 IOHQAWVUBXIUIB-UHFFFAOYSA-N 346.726 4.233 5 40 EIBB CC(=O)c1ccc(Nc2ccc(Br)cc2)c([N+](=O)[O-])c1 225208559 DNFLJECEADUJMJ-UHFFFAOYSA-N 335.157 4.304 5 40 EIBB O=C(Cc1c(Cl)cccc1Cl)OCc1cccc([N+](=O)[O-])c1 3288926 UEDXZRBAQDQWJV-UHFFFAOYSA-N 340.162 4.188 5 40 EIBB O=[N+]([O-])c1ccc(CCN2CCn3cccc3[C@@H]2c2ccccc2)cc1 59402857 CUIWBHOQXDZJJM-NRFANRHFSA-N 347.418 4.044 5 40 EIBB O=[N+]([O-])c1ccc2c(c1)N=C1O[C@@H](c3ccccc3Cl)C(O)=C1N2 104240069 KRCZXSIJZWCLQC-HNNXBMFYSA-N 343.726 4.245 5 40 EIBB CC(C)c1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 217864579 RPCIYQWPPMPGKZ-UHFFFAOYSA-N 326.396 4.081 5 40 EIBB CCCCCCOc1ccc(C(=O)Nc2nccs2)cc1[N+](=O)[O-] 4672959 PSSUDJXNMZTNKC-UHFFFAOYSA-N 349.412 4.263 5 40 EIBB CCc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 36623405 FYDWSBFHDWZEAO-LLVKDONJSA-N 332.787 4.302 5 40 EIBB C[C@@H]1CCCCN1c1c(Cl)cc([N+](=O)[O-])cc1Br 45885799 PCFFCYFAMMMAMR-MRVPVSSYSA-N 333.613 4.390 5 40 EIBB Cc1csc(-c2cc3c(=O)c4cc(Cl)ccc4oc3nc2N)n1 94986181 YDSNUYNUGVDPFE-UHFFFAOYSA-N 343.795 4.009 5 40 EIBB O=[N+]([O-])c1ccc2sc(SCc3cn4ccccc4n3)nc2c1 67813 OZBFPWQIRMEPQL-UHFFFAOYSA-N 342.405 4.145 5 40 EIBB C[N+]1(C[C@H]2CO[C@](c3ccccc3)(C3CCCCC3)O2)CCCCC1 3874577 AXWZZEWIGNYBGA-VXKWHMMOSA-N 344.519 4.466 5 40 EIBB in-man Cc1ccc(N(C)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 58312027 OPDLXSRNJBZDRF-CYBMUJFWSA-N 330.409 4.047 5 40 EIBB CCc1ccc(OCCNc2ccc([N+](=O)[O-])c3cccnc23)cc1 59463906 VPNBVXRUHHPLNA-UHFFFAOYSA-N 337.379 4.196 5 40 EIBB O=C(/N=c1/[nH]c2ccc3ccccc3c2s1)c1ccccc1[N+](=O)[O-] 6345269 UQIYJZYWQRXXTG-UHFFFAOYSA-N 349.371 4.032 5 40 EIBB O=[N+]([O-])c1ccc(Sc2ncc(-c3ccccc3)n2C2CC2)nc1 22420802 VJETXWCQQWXUQY-UHFFFAOYSA-N 338.392 4.339 5 40 EIBB Cc1[nH]c2ccccc2c1[C@@H](C[N+](=O)[O-])c1ccc(OC(F)F)cc1 3208732 DNBVEMSUYZIPKS-HNNXBMFYSA-N 346.333 4.486 5 40 EIBB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 4016810 VXOZEHBONIJFQO-JQWIXIFHSA-N 329.183 4.125 5 40 EIBB aggregator Cc1c(Cl)c(COc2cccnc2[N+](=O)[O-])nc2ccccc12 7549895 PYAYVEQPTSDPMR-UHFFFAOYSA-N 329.743 4.079 5 40 EIBB Cc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 217944927 OWELXDDGOBKBHS-UHFFFAOYSA-N 340.423 4.389 5 40 EIBB O=[N+]([O-])c1ccc(Nc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 5589400 BWLXTFDOGLGYMF-UHFFFAOYSA-N 327.218 4.265 5 40 EIBB Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1[N+](=O)[O-] 20458289 NOXOVOZRJMYOFW-QGZVFWFLSA-N 326.396 4.420 5 40 EIBB Cc1c(N)c(Br)c2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C 40448080 SKYWTKZIVUVSRF-UHFFFAOYSA-N 327.222 4.207 5 40 EIBB Cc1ccc(NC(=O)CSCc2cccc([N+](=O)[O-])c2)c(C)c1 408723884 YGFUQQXTXITIRM-UHFFFAOYSA-N 330.409 4.084 5 40 EIBB COc1cc2c(c3c1c(=O)c1ccc(F)cc1n3C)C=CC(C)(C)O2 5463542 JTABQANJWLXSDE-UHFFFAOYSA-N 339.366 4.024 5 40 EIBB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 30847515 GLHFQEFDYSEPAF-INIZCTEOSA-N 348.786 4.353 5 40 EIBB CCC[C@@H](c1ccccn1)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 69700701 BKWNNTQBOFFSDL-KRWDZBQOSA-N 342.399 4.303 5 40 EIBB Cc1cc(Cl)ccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 225991020 GTCPPNOEIFQMTD-UHFFFAOYSA-N 330.771 4.227 5 40 EIBB Cc1ccc(OC[C@@H](O)C[N+]2(C)CCCCCC2)c(C(C)(C)C)c1 226071795 JXOPVKQOMCRNCW-SFHVURJKSA-N 334.524 4.053 5 40 EIBB O=[N+]([O-])c1cc(CN2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)cs1 502808815 KXTISSBWDDGYHX-IAGOWNOFSA-N 326.421 4.477 5 40 EIBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1ccccn1 3162281 ABAMWETZOYBYFB-UHFFFAOYSA-N 345.258 4.068 5 40 EIBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2c3c(cccc13)CC2 27246709 YSMGWUZQOKZGIA-UHFFFAOYSA-N 332.359 4.028 5 40 EIBB COc1ccc2oc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2c1 41306576 SYQSMIAFIBHSQA-UHFFFAOYSA-N 346.726 4.255 5 40 EIBB CC1(C)CC(C)(C)c2c1c([N+](=O)[O-])c1cn[nH]c1c2Br 44676183 ZEXHJACCIBZJDD-UHFFFAOYSA-N 338.205 4.193 5 40 EIBB O=C(Cc1ccccc1)Sc1nc2ccc([N+](=O)[O-])cc2s1 35241 ZQZCNPDOPXREPC-UHFFFAOYSA-N 330.390 4.066 5 40 EIBB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc([N+](=O)[O-])o1 259783 BHKGWNDNKDTJKT-UHFFFAOYSA-N 349.302 4.248 5 40 EIBB Cc1c(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] 14911971 XAZCQARPMXFPRA-UHFFFAOYSA-N 340.423 4.473 5 40 EIBB c1ccc2nc3c(nc2c1)c1ccccc1n3CCN1CCCCC1 67762 HFWVWBPZEAYHMA-UHFFFAOYSA-N 330.435 4.224 5 40 EIBB c1ccc2c(c1)nc(SC[C@@H]1CCCO1)n1c3ccccc3nc21 6931563 AJJJGXNIORJRQV-ZDUSSCGKSA-N 335.432 4.307 5 40 EIBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1ccc(Cl)cc1 8938275 YSTFUFXFDJZDQV-LBPRGKRZSA-N 332.787 4.010 5 40 EIBB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 12894933 NPZZSDKEYPHKOS-FYCOFBDGSA-N 342.420 4.206 5 40 EIBB C[C@@H](c1cccs1)N(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 16273708 MZBJQUQPCVSYGC-NSHDSACASA-N 345.424 4.064 5 40 EIBB C[C@H]1C[C@H](C)CN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)C1 36627540 MTCSBGNEUVIVSR-KBPBESRZSA-N 335.403 4.064 5 40 EIBB COc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 259758 FOPGEUMGQYXPOM-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB CC[C@H](C)[C@@H](C(=O)OCC[N+](C)(CC)CC)c1ccc(C)c(C)c1 1726204 ZHRSBUKHFWYWPO-OXJNMPFZSA-N 334.524 4.463 5 40 EIBB COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1ccc(C)cc1 4496532 GJEQCLICBMVBDR-UHFFFAOYSA-N 346.408 4.033 5 40 EIBB Cc1ccc(N2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 5414599 KPHBDKXXGPMFRF-XNTDXEJSSA-N 340.360 4.144 5 40 EIBB CCOP(=O)(OCC)O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)F 306145295 ASUMQLNFAPNOOI-LLVKDONJSA-N 339.231 4.099 5 40 EIBB Cc1ccc(-c2nnc([C@H](C)Oc3ccc([N+](=O)[O-])cc3)o2)cc1 8291149 OHDLKVJXYJRAKP-LBPRGKRZSA-N 325.324 4.093 5 40 EIBB O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccccc1[N+](=O)[O-] 40117317 OXYJVVUXKNXEPO-SFHVURJKSA-N 342.370 4.395 5 40 EIBB S=C(NCc1ccccc1)Nc1cc2cccnc2c2ncccc12 1104206 YDBCJPKCIQMRJT-UHFFFAOYSA-N 344.443 4.270 5 40 EIBB Cc1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)c1C 4994091 LDHBXADUZWNACK-UHFFFAOYSA-N 338.323 4.412 5 40 EIBB aggregator Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] 5680324 MNEXTQZFFGUAER-UHFFFAOYSA-N 340.257 4.054 5 40 EIBB O=[N+]([O-])c1cccc(/C=C(\Cl)c2nc(-c3ccsc3)no2)c1 12681113 FGQZHUTZBKAXJO-GHXNOFRVSA-N 333.756 4.443 5 40 EIBB O=C(Oc1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 281299 VLUQMAYSEYKZBH-UHFFFAOYSA-N 333.343 4.332 5 40 EIBB CCOc1ccc(C(=O)OCC[C@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1 517298 JKGLLRLAYPIYPO-QIFHVCNWSA-N 346.491 4.041 5 40 EIBB COc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 5383797 JCZIQPPWFAFTFS-UHFFFAOYSA-N 328.368 4.153 5 40 EIBB S=C(Nc1cc2ccncc2c2ncccc12)N1CCCCCC1 408975083 JUUALRJZRNAIMN-UHFFFAOYSA-N 336.464 4.356 5 40 EIBB CCN1C=C(c2ccc3ccccc3n2)[C@H](C[N+](=O)[O-])c2ccccc21 173042 XTDVPHJOOUEMFX-QGZVFWFLSA-N 345.402 4.476 5 40 EIBB Cc1ccc(NC(=S)Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 6400921 XOLUZFWUYLQLPS-UHFFFAOYSA-N 349.393 4.301 5 40 EIBB O=[N+]([O-])c1cccnc1Sc1ncc(-c2ccccc2)n1C1CC1 22420796 PQSRQBKQDPEFOG-UHFFFAOYSA-N 338.392 4.339 5 40 EIBB COc1cc([N+](=O)[O-])cc(Br)c1N1CCc2ccccc21 252482252 DBPPOHQYVGZVMI-UHFFFAOYSA-N 349.184 4.060 5 40 EIBB CCCOc1ccc(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1 253377313 WRNCXQUMXVISMV-VCOUNFBDSA-N 346.491 4.041 5 40 EIBB biogenic,in-vitro Cc1cccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1C 79817 IFONNLWLKUCEFN-UHFFFAOYSA-N 327.383 4.121 5 40 EIBB COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 152213 QNJMQMLNDULDJH-UHFFFAOYSA-N 342.376 4.403 5 40 EIBB O=[N+]([O-])c1ccc(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)cc1 6269143 UTDQOTUOBYQASR-UHFFFAOYSA-N 342.336 4.370 5 40 EIBB biogenic O=[N+]([O-])c1ccc(/C=C(\Cl)c2nc(-c3ccsc3)no2)cc1 7333497 PBIBRIHDJWRDTF-GHXNOFRVSA-N 333.756 4.443 5 40 EIBB O=[N+]([O-])c1ccccc1CSc1nnc(Cc2cccc(F)c2)o1 67754776 XAQUKJLKGCADPA-UHFFFAOYSA-N 345.355 4.000 5 40 EIBB Cc1ccc([C@@H]2CCCN2C(=O)CCc2cccc([N+](=O)[O-])c2)s1 87297196 YJQPWRPOTKWJLO-INIZCTEOSA-N 344.436 4.261 5 40 EIBB COc1cc(Br)c2cc(N)c3ccccc3c2c1OC 225750974 SOWRPTFJDDQITL-UHFFFAOYSA-N 332.197 4.355 5 40 EIBB O=[N+]([O-])c1ccc2sc(SCc3cn4ccsc4n3)nc2c1 1770776 ZFUFXXDEPJRMAM-UHFFFAOYSA-N 348.434 4.206 5 40 EIBB CCC[C@H](NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 8448632 ZTBGDNACFJEPIL-KDOFPFPSSA-N 342.395 4.020 5 40 EIBB CC(C)(C)c1ccc(Oc2ncc([N+](=O)[O-])c(NC3CC3)n2)cc1 26690987 SQVMQWMGKKTFBT-UHFFFAOYSA-N 328.372 4.049 5 40 EIBB O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H]1c1cccs1 65567753 CHDWBOPXEFCKDJ-OAHLLOKOSA-N 341.392 4.115 5 40 EIBB O=C(Cc1ccc([N+](=O)[O-])cc1)NC(c1ccccc1)c1ccccc1 5735599 FBHSDYVHRHSEJN-UHFFFAOYSA-N 346.386 4.043 5 40 EIBB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 20457889 XRQITWOWFYNAPG-OAHLLOKOSA-N 342.395 4.234 5 40 EIBB O=[N+]([O-])c1cc(-c2nc(-c3ccco3)no2)ccc1NC1CCCC1 20898107 LGRURYMYKMYRPB-UHFFFAOYSA-N 340.339 4.259 5 40 EIBB O=[N+]([O-])c1ccccc1-c1n[nH]c(COc2ccc3ccccc3c2)n1 34925947 RVZBPAIISFXXPO-UHFFFAOYSA-N 346.346 4.112 5 40 EIBB O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 6615135 LPFIVHLLIVGDPX-UHFFFAOYSA-N 345.786 4.101 5 40 EIBB CC(C)c1ncc([N+](=O)[O-])n1C(=O)Nc1cccc(C(F)(F)F)c1 16576022 KRWLIGKLDNLSPG-UHFFFAOYSA-N 342.277 4.014 5 40 EIBB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 20492328 PZKSTAPEMZTKSH-OAHLLOKOSA-N 348.786 4.353 5 40 EIBB Cc1ccc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 564084 PLBRLMODWJCIFO-CYBMUJFWSA-N 330.409 4.331 5 40 EIBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3F)o2)cc1 7192776 WJXITGVASQWZPU-UHFFFAOYSA-N 331.328 4.076 5 40 EIBB O=[N+]([O-])c1ccc(N2CCC(c3ccc(O)cc3)CC2)c2ccncc12 29530968 HMYARUSZCQQEMU-UHFFFAOYSA-N 349.390 4.233 5 40 EIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCc1ccc(Cl)cc1 217893354 KPKYVRSVOOORAM-KPKJPENVSA-N 344.798 4.010 5 40 EIBB C[C@H]1CCCC[C@@H]1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 478696 HGUUWUJOHINQBP-UGSOOPFHSA-N 335.403 4.255 5 40 EIBB O=[N+]([O-])c1cccc(/C=C(\Cl)c2nc(-c3cccs3)no2)c1 32743593 VZIMCLUSWVCRAW-FLIBITNWSA-N 333.756 4.443 5 40 EIBB CCOc1cccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2CC)c1 72228673 ZZQJXXGJRZDCBP-UHFFFAOYSA-N 328.368 4.117 5 40 EIBB S=C(NCc1ccco1)Nc1ccc2cc3ccccc3nc2c1 409191016 YMASYFGPOHVHJB-UHFFFAOYSA-N 333.416 4.468 5 40 EIBB CCCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 6203990 POXZDAHENJVBOT-UHFFFAOYSA-N 344.367 4.035 5 40 EIBB C[C@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 18207819 MZIGKHPNFDJHIR-VIFPVBQESA-N 334.759 4.037 5 40 EIBB O=c1cc(-c2ccc3c(c2)OCCO3)oc2c1ccc1ccccc12 238468 YHWDQRJSJMDJAY-UHFFFAOYSA-N 330.339 4.384 5 40 EIBB biogenic Cc1cc(Cl)cc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc12 4330809 FWDPECMYCPHJGO-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB Cc1ccc(CCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)o1 5555225 ONHUQCRETYIXIF-UHFFFAOYSA-N 343.166 4.374 5 40 EIBB Cc1ccccc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 44880285 DJTLMSRUWZZAQM-HXUWFJFHSA-N 346.386 4.423 5 40 EIBB COc1ccc(F)cc1[C@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 48310951 CWOJNOPQKPSHNI-NSHDSACASA-N 341.342 4.464 5 40 EIBB O=C(CCCSc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 3433587 CEWIFQWYTUFRJO-UHFFFAOYSA-N 334.372 4.245 5 40 EIBB NC(=O)c1ccc(CS[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 65489838 CZKWEUMNOVDUSS-KRWDZBQOSA-N 342.420 4.005 5 40 EIBB C[N+]1(C[C@H]2CO[C@@](c3ccccc3)(C3CCCCC3)O2)CCCCC1 572 AXWZZEWIGNYBGA-FCHUYYIVSA-N 344.519 4.466 5 40 EIBB in-man CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 12924645 LGBOCJYLZRSJJM-CDVVCGDMSA-N 342.420 4.206 5 40 EIBB O=C(c1ccc([N+](=O)[O-])cc1)N1CC=C(c2c[nH]c3ccccc23)CC1 14349145 WGXDZWDYPXQODT-UHFFFAOYSA-N 347.374 4.006 5 40 EIBB Cc1c(CN2CCn3cccc3[C@H]2c2ccccc2)cccc1[N+](=O)[O-] 58406463 PTLPUNVVOHKISU-OAQYLSRUSA-N 347.418 4.310 5 40 EIBB CNc1ccccc1C(C)(C)c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 5072811 SMMFIZUZJSOYFC-UHFFFAOYSA-N 336.395 4.353 5 40 EIBB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] 12930024 PUCMHMJAQPZZBK-KIUWMYQTSA-N 342.420 4.206 5 40 EIBB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1C 20486291 UWEYLRQCKQJAAE-OAHLLOKOSA-N 348.786 4.353 5 40 EIBB CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(C)cc1 22525992 CXSYXKLFXJLPCQ-MRXNPFEDSA-N 332.787 4.438 5 40 EIBB COc1ccc(Cl)cc1C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 26942886 KPCVULFMBCLPHM-LLVKDONJSA-N 348.786 4.090 5 40 EIBB O=[N+]([O-])c1ccc2nc(Cc3ccc(Br)cc3)oc2c1 45497899 KUBCQIKIKIRIPF-UHFFFAOYSA-N 333.141 4.089 5 40 EIBB O=[N+]([O-])c1ccc(Oc2ccc3ccc(C(F)(F)F)nc3c2)nc1 58413280 JSTOMGCMBOFTPU-UHFFFAOYSA-N 335.241 4.349 5 40 EIBB O=c1c(Cl)c2oc3cc([N+](=O)[O-])ccc3nc-2c2ccccc12 4844207 ORQQSXRWRGYETD-UHFFFAOYSA-N 326.695 4.008 5 40 EIBB C[C@H](OC(=O)CCc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 58004462 UKEOYLDDJWBIGM-NSHDSACASA-N 335.306 4.110 5 40 EIBB O=C(C[C@@H](c1ccccc1)[C@@H]1CCCC1=O)c1ccc([N+](=O)[O-])cc1 2258881 XNDSARCVLSJXDS-ROUUACIJSA-N 337.375 4.321 5 40 EIBB O=C(CCCOc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 5003623 BKDPLZQVKUKRNJ-UHFFFAOYSA-N 334.759 4.046 5 40 EIBB Cc1cc(CN2CCC[C@H]2CC(=O)c2ccccc2)ccc1[N+](=O)[O-] 96011454 QKXOUNVALISEQQ-SFHVURJKSA-N 338.407 4.141 5 40 EIBB CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1 408822968 DEZUFSVWHWLNPI-UHFFFAOYSA-N 339.376 4.344 5 40 EIBB Cc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)c(C)c1 4994417 KSKQHDYNFHWPLT-UHFFFAOYSA-N 338.323 4.412 5 40 EIBB Cc1ccc2nc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])sc2c1 6521983 PNVJAFGTPOMSHI-VQHVLOKHSA-N 339.376 4.165 5 40 EIBB CC(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 10238750 DGDLMECSBIQPKC-UHFFFAOYSA-N 348.786 4.389 5 40 EIBB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc([N+](=O)[O-])c1 180444 GXDHXGDUCIXDEF-UHFFFAOYSA-N 343.339 4.110 5 40 EIBB Cc1ccc(C)c2sc(NC(=O)c3ccc([N+](=O)[O-])s3)nc12 2723909 RYUYKQRYKXTTQP-UHFFFAOYSA-N 333.394 4.135 5 40 EIBB Cc1cccc(-n2c(C)nnc2SCc2ccc([N+](=O)[O-])cc2)c1 5359516 PUWOAXDIWCRNOG-UHFFFAOYSA-N 340.408 4.085 5 40 EIBB CCc1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 7093696 PBHYBBFJINWYDU-UHFFFAOYSA-N 330.409 4.029 5 40 EIBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccccc3)o2)cc1 7365259 REAUJDDZVCPAEM-UHFFFAOYSA-N 337.379 4.057 5 40 EIBB CCc1ccccc1O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 20492001 YMOJXIJFAZUKNS-NSHDSACASA-N 348.786 4.217 5 40 EIBB CC1CCC(N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2CC2)CC1 52104029 YQYVJIDSHQLSIY-UHFFFAOYSA-N 346.427 4.004 5 40 EIBB CC(=O)c1c(C)cc(C)c(CSc2ncccc2[N+](=O)[O-])c1C 65693159 QGTCPIMLQLKTLI-UHFFFAOYSA-N 330.409 4.410 5 40 EIBB Cc1noc(/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1[N+](=O)[O-] 408543682 QAUOVFHCJSFDMF-CLFYSBASSA-N 341.279 4.230 5 40 EIBB CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2s1 193519 SGZFOQLOTCFZAV-UHFFFAOYSA-N 345.405 4.179 5 40 EIBB NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccccc1F 195599 KLDFMPJBNDHTNG-ATJXCDBQSA-N 332.334 4.056 5 40 EIBB Cc1nc(Nc2ccccc2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] 6177618 WTWBBKNWDYWIFF-UHFFFAOYSA-N 335.367 4.205 5 40 EIBB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 15649905 GHMOMJCFGJQFPZ-UHFFFAOYSA-N 339.178 4.174 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCCC[C@H]1c1ccncc1 45951119 NCRUTQATRFIYTG-KRWDZBQOSA-N 340.383 4.139 5 40 EIBB CC1CCN(C(=O)c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)CC1 59843404 LMNJCWCQCYNAMR-UHFFFAOYSA-N 348.786 4.380 5 40 EIBB O=C(Nc1cccc2c1CCCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 58369768 PJJLJMHRKISOSU-UHFFFAOYSA-N 335.363 4.207 5 40 EIBB O=C(O)c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 216805157 HMYPJOYHDWVMCI-UHFFFAOYSA-N 342.134 4.179 5 40 EIBB C[C@@H](c1ccc2ccc3cccc4ccc1c2c34)C(C(=O)O)C(=O)O 2048572 MHRXBOPGEVHNRK-NSHDSACASA-N 332.355 4.473 5 40 EIBB Cc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2c1CC(C)(C)O2 4054396 AEEKMLLCHFVOLI-UHFFFAOYSA-N 343.339 4.269 5 40 EIBB O=C(O)C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 4801669 AOBCLBVGQRSELJ-XFXZXTDPSA-N 340.360 4.220 5 40 EIBB c1ccc2c(c1)nc(SC[C@H]1CCCO1)n1c3ccccc3nc21 6931571 AJJJGXNIORJRQV-CYBMUJFWSA-N 335.432 4.307 5 40 EIBB C[C@H](NC(=O)N(C)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 58169370 TXHIDIACGXDWHS-LBPRGKRZSA-N 347.802 4.151 5 40 EIBB Cc1cc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)no1 342469 TYHNAPYFYUFWPT-UHFFFAOYSA-N 337.744 4.012 5 40 EIBB Cc1ccc(N2C(=O)S/C(=C\c3ccccc3[N+](=O)[O-])C2=O)cc1 3164223 KPHBDKXXGPMFRF-GDNBJRDFSA-N 340.360 4.144 5 40 EIBB O=C(Nc1cccc(-c2cnco2)c1)c1ccc([N+](=O)[O-])cc1Cl 48241867 KNUSEIJJMDHBAT-UHFFFAOYSA-N 343.726 4.156 5 40 EIBB Cc1ccsc1-c1nnc(SCc2csc([N+](=O)[O-])c2)o1 69588024 TXIPZUSPSSJMRK-UHFFFAOYSA-N 339.423 4.369 5 40 EIBB O=C(O)c1ccccc1/C=C/c1nc2ccc([N+](=O)[O-])cc2s1 32642042 MQIQTXIALSSGDR-VMPITWQZSA-N 326.333 4.073 5 40 EIBB Cc1sc(C(=O)N2CCC[C@H]2CCc2ccccc2)cc1[N+](=O)[O-] 55487417 XCOCLFQLCYJCSK-HNNXBMFYSA-N 344.436 4.202 5 40 EIBB Cc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1Br 216743435 DMRNCRUFOPDKCZ-UHFFFAOYSA-N 333.141 4.474 5 40 EIBB O=[N+]([O-])c1ccc(NC2CCN(c3ccccc3)CC2)c2ccncc12 53579116 OLHTUYFADAGUFU-UHFFFAOYSA-N 348.406 4.224 5 40 EIBB CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 223013283 JALRZVDYSCGSDI-IBGZPJMESA-N 338.407 4.355 5 40 EIBB Cc1cc(C)c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1C 223394328 QTSASKAXXBSYJO-OAHLLOKOSA-N 326.396 4.319 5 40 EIBB O=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1ccccc1 408977209 UVPOBSNGZRQDSI-UHFFFAOYSA-N 339.354 4.484 5 40 EIBB O=[N+]([O-])c1ccc(Oc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 1679387 XKJFTQLTCVTSNS-UHFFFAOYSA-N 328.202 4.314 5 40 EIBB O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(O)cc1O 7814728 GMPOVRFCZWQFSW-UHFFFAOYSA-N 345.354 4.156 5 40 EIBB Cc1nc2c(c(C)nn2-c2ccccc2)c2c1c(=O)oc1ccccc12 18200994 AOSLAHVRNBVFAZ-UHFFFAOYSA-N 341.370 4.297 5 40 EIBB O=[N+]([O-])c1ccc(NCc2ccnc(OC3CCCC3)c2)c(F)c1 32923646 CRZACKGEWQOZEB-UHFFFAOYSA-N 331.347 4.062 5 40 EIBB CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F 48362948 CYRDZDZZLYQNGP-UHFFFAOYSA-N 338.722 4.038 5 40 EIBB O=C(Nc1ccccc1)c1ccc(Nc2cccc(O)c2)c([N+](=O)[O-])c1 96361331 GVLAJTCEIPIHDM-UHFFFAOYSA-N 349.346 4.296 5 40 EIBB CCCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2779965 BAGBPEKPSGUEHW-UHFFFAOYSA-N 343.339 4.098 5 40 EIBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(Cl)c1 5717244 NLWHZRGVHKTQOA-UHFFFAOYSA-N 325.151 4.083 5 40 EIBB Cc1ccc(NC(=O)COc2ccccc2C(C)C)c([N+](=O)[O-])c1 28284606 ALQHJDADZGWDMV-UHFFFAOYSA-N 328.368 4.044 5 40 EIBB O=C(c1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCCCCC1 408974564 BLXLYKPXXBMLIJ-UHFFFAOYSA-N 344.418 4.281 5 40 EIBB Cc1c(Br)cccc1-c1nc2cc([N+](=O)[O-])ccc2o1 226248310 GSZHECWJXIPDCG-UHFFFAOYSA-N 333.141 4.474 5 40 EIBB CSc1nc(Cl)c2snc(-c3ccc([N+](=O)[O-])cc3)c2n1 575362696 LFQRLDRMBBSTPL-UHFFFAOYSA-N 338.801 4.037 5 40 EIBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc2ccccc2c1 58897 DTSIITCTHMWXEC-PDGQHHTCSA-N 344.326 4.093 5 40 EIBB CC(=O)c1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 12516966 VCGLYYJADSNVAE-NWDGAFQWSA-N 330.306 4.330 5 40 EIBB O=[N+]([O-])c1ccc(NCc2ccc(CN3CCCC3)cc2)c(Cl)c1 26760828 ZWRVBNPOIQGIEB-UHFFFAOYSA-N 345.830 4.456 5 40 EIBB CC1CCN(C(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)CC1 104586133 QXURWTQQRASUTH-UHFFFAOYSA-N 344.418 4.136 5 40 EIBB O=C(NCC1(c2ccccc2)CCC1)c1cc([N+](=O)[O-])ccc1Cl 10221291 NWOHVYJXEFJSPT-UHFFFAOYSA-N 344.798 4.100 5 40 EIBB Cc1c(NC(=O)c2oc3ccc(F)cc3c2C)cccc1[N+](=O)[O-] 12815743 HTIKDUBYDNAZMT-UHFFFAOYSA-N 328.299 4.349 5 40 EIBB O=[N+]([O-])c1cccc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 28831329 UEABDYLNZOTXBF-UHFFFAOYSA-N 346.799 4.326 5 40 EIBB CC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 225209638 CXRYGSDBBHHHSG-UHFFFAOYSA-N 338.407 4.257 5 40 EIBB CCCCn1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 1869161 NRCKTMYIGWPRJA-UHFFFAOYSA-N 347.378 4.355 5 40 EIBB Cc1nc(NC(=O)c2sc3ccccc3c2Cl)ccc1[N+](=O)[O-] 75108831 DHWMNXDYKLFELB-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(F)cc1 127460 LXHHFOINDBUQPZ-UHFFFAOYSA-N 343.339 4.110 5 40 EIBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1cccs1 14629097 AFCBUMVBKNLPGN-ZDUSSCGKSA-N 336.800 4.287 5 40 EIBB O=[N+]([O-])c1ccc(NCc2nc3ccccc3s2)c2ncccc12 24058304 JHXDCWJVVMINSX-UHFFFAOYSA-N 336.376 4.365 5 40 EIBB S=C(Nc1cc2cccnc2c2cccnc12)N1CCCCCC1 75260704 QWHCJLXBFZEYOW-UHFFFAOYSA-N 336.464 4.356 5 40 EIBB O=[N+]([O-])c1ccccc1OCc1csc(Cc2ccccc2)n1 31647330 VXPDNLHLJVPTMP-UHFFFAOYSA-N 326.377 4.221 5 40 EIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)Cc1ccccc1 4743290 NDQYDFUAXMBFLQ-UHFFFAOYSA-N 346.386 4.437 5 40 EIBB CCCNC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 13140838 ZORPXLQQCUWITG-UHFFFAOYSA-N 330.409 4.194 5 40 EIBB CC[N+](C)(C)C[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 36631484 URHWABGLMQYBND-GOSISDBHSA-N 336.540 4.236 5 40 EIBB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 7073026 UFTACOHQGHNLIY-CYBMUJFWSA-N 328.368 4.126 5 40 EIBB CNc1cc(N2CCC[C@H](C(F)(F)F)C2)c(Cl)cc1[N+](=O)[O-] 45221402 UNRSRPZHOYANJY-QMMMGPOBSA-N 337.729 4.069 5 40 EIBB C[C@H](NC(=O)c1occc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 84656328 NSIPFHLJQLJFAV-ZDUSSCGKSA-N 336.347 4.346 5 40 EIBB O=C(N[C@H]1CCCc2ccccc21)c1cc(Cl)ccc1[N+](=O)[O-] 3538452 QXHNUFRFEZRGSD-HNNXBMFYSA-N 330.771 4.056 5 40 EIBB CNc1cc(N2CCC[C@@H](C(F)(F)F)C2)c(Cl)cc1[N+](=O)[O-] 45221405 UNRSRPZHOYANJY-MRVPVSSYSA-N 337.729 4.069 5 40 EIBB Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)cc1 567785 AWNUUSMBQAQCPO-UHFFFAOYSA-N 345.405 4.341 5 40 EIBB O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccncc2)no1 6868024 KOZOAWGNVJYNST-UHFFFAOYSA-N 341.326 4.058 5 40 EIBB CCc1nc([C@@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cs1 83830255 KJMOKJUYDGWBFX-LLVKDONJSA-N 348.428 4.113 5 40 EIBB Cc1cccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 97165897 XZYIARQZJQPVCZ-UHFFFAOYSA-N 328.371 4.242 5 40 EIBB CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1C 217889956 WMAQQJHSVVWOKV-JARZOMNASA-N 338.407 4.492 5 40 EIBB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 12909204 SKHUZTJOPHONEI-JTQLQIEISA-N 330.365 4.236 5 40 EIBB O=C(NCCC1=CCCCC1)c1ccc2nc3ccccc3nc2c1 96567902 NSZMKELWXAVNMZ-UHFFFAOYSA-N 331.419 4.403 5 40 EIBB COC(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 169800365 XNGDZHDGPNNFIU-AWEZNQCLSA-N 340.162 4.207 5 40 EIBB CN(C(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 37088576 AXBVZFPCNLJWAE-MRXNPFEDSA-N 325.368 4.136 5 40 EIBB O=[N+]([O-])c1cccnc1Oc1ccc(Sc2ccncc2)cc1 58191602 GCPZAPZFUDVLBY-UHFFFAOYSA-N 325.349 4.328 5 40 EIBB O=C(Oc1ccc2oc3c(c2c1)CCCC3)c1ccc([N+](=O)[O-])cc1 501880 HTZKMBRLVQCLKR-UHFFFAOYSA-N 337.331 4.439 5 40 EIBB COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 7475040 BEGIVBQSOCRZAW-GFCCVEGCSA-N 346.408 4.031 5 40 EIBB [O-][n+]1c([C@H]2C[C@H]3C=C[C@H]2C3)n(O)c2c3ccccc3c3ccccc3c21 100981360 LXHXARXFUVGXSI-NJSLBKSFSA-N 342.398 4.498 5 40 EIBB CC(C)c1ccc(CCCNC(=O)c2cccc([N+](=O)[O-])c2)cc1 217868437 IHORUCYAVCJIEV-UHFFFAOYSA-N 326.396 4.081 5 40 EIBB COc1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1OC 6831937 WPYRPHMPSCCDCR-RMKNXTFCSA-N 336.347 4.331 5 40 EIBB O=[N+]([O-])c1ccc2sc(/C=C/c3cccc4c3OCCO4)nc2c1 59591949 CJUVROGERXLVCY-QPJJXVBHSA-N 340.360 4.146 5 40 EIBB COc1ccccc1NC(=O)c1ccc2nc3ccccc3nc2c1 96582944 URHMYASHKQLFEG-UHFFFAOYSA-N 329.359 4.044 5 40 EIBB Cc1c(NC(=O)CCCOc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 248012289 ZILBIOZWHDSCIW-UHFFFAOYSA-N 348.786 4.354 5 40 EIBB Cc1csc(N(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)n1 14586799 TVHNFOPGDAQCSU-UHFFFAOYSA-N 339.376 4.338 5 40 EIBB CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)cc1 89856523 NUXDFCKQMLDSJK-GFCCVEGCSA-N 332.425 4.346 5 40 EIBB CN(C(=O)c1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 1391275 FQVOTCMHAACAPO-UHFFFAOYSA-N 325.151 4.178 5 40 EIBB COc1cc([N+](=O)[O-])ccc1NC(=O)N(c1ccccc1)C(C)C 4765271 JPKOGGKKZZXUMG-UHFFFAOYSA-N 329.356 4.050 5 40 EIBB CN(c1ccccc1)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F 5140752 JYCNXMMTVIAGJC-UHFFFAOYSA-N 341.245 4.290 5 40 EIBB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 6940573 VWYIPFLLQCSRTN-UHFFFAOYSA-N 339.178 4.174 5 40 EIBB O=C(Nc1ccc(Cl)c2ncsc12)c1ccc([N+](=O)[O-])cc1 7598771 KUHSUGCMRXYHKW-UHFFFAOYSA-N 333.756 4.110 5 40 EIBB CC(C)=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 100528308 BADZDOFTSTWFOC-UHFFFAOYSA-N 341.279 4.233 5 40 EIBB Cc1cc(NC(=O)c2ccc(F)cc2)nc2c1c(=O)oc1ccccc12 428474 HNXUMZFIAOOPJI-UHFFFAOYSA-N 348.333 4.041 5 40 EIBB Cc1ccc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 564083 PLBRLMODWJCIFO-ZDUSSCGKSA-N 330.409 4.331 5 40 EIBB CC[N+](C)(CC)c1cccc(OC(=O)Nc2ccc(OC)cc2)c1 1718635 FEQYHVAHSASDAR-UHFFFAOYSA-O 329.420 4.283 5 40 EIBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1ccccn1)CO2 20567155 GDBSUAWIBYKZPI-UHFFFAOYSA-N 344.370 4.006 5 40 EIBB COc1cccc2cc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)oc12 408707223 HZXWVRDRGOJNMA-UHFFFAOYSA-N 346.726 4.255 5 40 EIBB O=C(NCc1ccco1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408920991 AJYINLVOXRYMEY-CPNJWEJPSA-N 348.358 4.045 5 40 EIBB Cc1c(NC(=O)CCCc2c[nH]c3ccccc23)cccc1[N+](=O)[O-] 6786253 GGBDAVZOJXZZIC-UHFFFAOYSA-N 337.379 4.346 5 40 EIBB Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1N1CCCC1 11324302 SWCYERSZYSOOSA-UHFFFAOYSA-N 339.395 4.064 5 40 EIBB COc1ccc([N+](=O)[O-])cc1CNc1ccc2c3c(cccc13)CC2 22256599 XYYAYHUNPOJPKC-UHFFFAOYSA-N 334.375 4.467 5 40 EIBB CC(C)Oc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl 40074106 MTPFBQHKNOQDHA-UHFFFAOYSA-N 348.786 4.217 5 40 EIBB CC[C@H]1c2ccccc2-c2cc(Nc3ncnc(N)c3[N+](=O)[O-])ccc21 35682002 SLZQSTFRMFZBCT-LBPRGKRZSA-N 347.378 4.233 5 40 EIBB C[C@@H]1CCCCN1Cc1ccc(Nc2ncccc2[N+](=O)[O-])cc1 40119606 HRAUREYCDQVQGB-CQSZACIVSA-N 326.400 4.108 5 40 EIBB COc1ccc2oc(C)c(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2c1 41156484 CMKNGWODNCVCCF-UHFFFAOYSA-N 340.335 4.219 5 40 EIBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(C)c(C)c1 218132631 UYKUBBRZGXPJNB-QGZVFWFLSA-N 326.396 4.401 5 40 EIBB CC[C@H](C)[C@H](C(=O)OCC[N+](C)(CC)CC)c1ccc(C)c(C)c1 1726202 ZHRSBUKHFWYWPO-JXFKEZNVSA-N 334.524 4.463 5 40 EIBB Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 335695 BSWLGTUBFSWQPK-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 478697 HGUUWUJOHINQBP-ACJLOTCBSA-N 335.403 4.255 5 40 EIBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(C)(C)C)cc1 10111726 LXPRVLNYMPOISX-CYBMUJFWSA-N 326.396 4.383 5 40 EIBB Cc1noc(C)c1COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 30970632 LLDLKDNKDIVPPL-UHFFFAOYSA-N 338.363 4.369 5 40 EIBB O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2c2nccs2)cc1Cl 95940907 AGJDMHDNHZFYNQ-CQSZACIVSA-N 337.832 4.432 5 40 EIBB O=[N+]([O-])c1c(N2CCCCC[C@@H]2c2ccco2)nc2sccn12 97163717 ABSWNKGXXWSXPS-LLVKDONJSA-N 332.385 4.019 5 40 EIBB Cc1ccc(-c2nn3c(=O)c4ccccc4nc3c3ccccc23)cc1 91447 MDKIKYXPIIGINV-UHFFFAOYSA-N 337.382 4.371 5 40 EIBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cccc2ccccc12 1735590 AYCUKPGGQFHGHR-PDGQHHTCSA-N 344.326 4.093 5 40 EIBB O=[N+]([O-])c1cccc(NC(=S)Nc2ccccc2C(F)(F)F)c1 17071364 DOQGFBIGNVCKJF-UHFFFAOYSA-N 341.314 4.423 5 40 EIBB COc1cc2nc3c4ccccc4n(CC(C)C)c3nc2cc1OC 4513694 XPOKTBCTSXWVAX-UHFFFAOYSA-N 335.407 4.411 5 40 EIBB O=[N+]([O-])c1ccc2nc(Cl)c([N+](=O)[O-])c(-c3ccccc3)c2c1 4514917 LIKRFLRUXPGASY-UHFFFAOYSA-N 329.699 4.372 5 40 EIBB CCCCOc1cccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 9141589 YFULWOKSPQELGL-UHFFFAOYSA-N 344.367 4.035 5 40 EIBB CSc1ccc(C(=O)N(C)Cc2ccc(C)cc2C)cc1[N+](=O)[O-] 18213403 BGHXZNWOFUIPIH-UHFFFAOYSA-N 344.436 4.206 5 40 EIBB Cc1cc2nc(N[C@@H](C)c3cccc([N+](=O)[O-])c3)c3ccccc3n2n1 52452276 OSIYNJKFCUOVRE-ZDUSSCGKSA-N 347.378 4.272 5 40 EIBB O=c1cc(CNc2cccc(CO)c2)c2c(ccc3ccccc32)o1 72120231 AYYUJCSWTNDJEB-UHFFFAOYSA-N 331.371 4.051 5 40 EIBB O=C(Oc1cccc([N+](=O)[O-])c1)c1cccnc1SC1CCCC1 84374519 YQCBHWNBUKWQTJ-UHFFFAOYSA-N 344.392 4.244 5 40 EIBB CN1C=C(c2ccc3ccccc3n2)[C@@H](C[N+](=O)[O-])c2ccccc21 173005 OBLCUUGXPIDEBD-INIZCTEOSA-N 331.375 4.086 5 40 EIBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 2626270 IFEDTXJNFZIHEH-UHFFFAOYSA-N 328.221 4.005 5 40 EIBB CC(=O)c1ccc(Sc2nnc(C3CCCCC3)o2)c([N+](=O)[O-])c1 8201804 LJLPUGMYOHUYOF-UHFFFAOYSA-N 347.396 4.379 5 40 EIBB C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 40099041 ZEKCMCYLSPARQQ-MRVPVSSYSA-N 325.777 4.192 5 40 EIBB CC1CCN(c2c(Cl)cc(C(=O)OC(C)C)cc2[N+](=O)[O-])CC1 70462584 MXVWITAIANXUPV-UHFFFAOYSA-N 340.807 4.050 5 40 EIBB CCN(CC)c1cc(NC(=O)c2ccccc2)c(Cl)cc1[N+](=O)[O-] 72229113 AVNBPWVHUGTLQO-UHFFFAOYSA-N 347.802 4.347 5 40 EIBB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cccc([N+](=O)[O-])c1 225326499 CETLGOUUIRXMQM-UHFFFAOYSA-N 339.178 4.473 5 40 EIBB CCC(=O)c1ccc(OC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 4771216 ANEMYQITHGCKKG-UHFFFAOYSA-N 348.742 4.452 5 40 EIBB O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(O)cc1 6590457 PHJBIRRIZUGWBH-UHFFFAOYSA-N 329.355 4.451 5 40 EIBB CC(=O)c1ccc(Nc2ccc(N3CCCC3)cc2)c([N+](=O)[O-])c1 7984825 COYILXFPFZYGFR-UHFFFAOYSA-N 325.368 4.141 5 40 EIBB C[C@H](Cc1ccc(-c2ccccc2)cc1)Nc1c([N+](=O)[O-])ncn1C 84640730 UDTQJVDBMOVYEE-CQSZACIVSA-N 336.395 4.038 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc2ccccc12 289338 WVDFDEWKUJVVGA-UHFFFAOYSA-N 336.347 4.074 5 40 EIBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F 4923455 JSGFHKKFDPQTTO-UHFFFAOYSA-N 325.246 4.258 5 40 EIBB CN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc21 8091841 ARRJBPOTBVTALK-SFQUDFHCSA-N 346.342 4.372 5 40 EIBB O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc2oc(C3CC3)nc2c1 33213863 IOYWELJQDJPEEA-JXMROGBWSA-N 349.346 4.265 5 40 EIBB Cc1occc1-c1nnc(S[C@@H](C)c2cccc([N+](=O)[O-])c2)n1C 7554330 CNVMOYQAFBZXBE-NSHDSACASA-N 344.396 4.145 5 40 EIBB COc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccc(Cl)cc1 13792606 HVBZBBDAJTZJRH-UHFFFAOYSA-N 337.788 4.066 5 40 EIBB O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cc2cccc3ccccc23)nc1 84598390 XENXTWMERPFJNU-QGZVFWFLSA-N 333.391 4.355 5 40 EIBB Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1c[nH]c2ccccc12 199419814 KLNFMHKFYGDTRO-UHFFFAOYSA-N 347.378 4.089 5 40 EIBB O=[N+]([O-])c1cc(NC(=S)Nc2ccc(F)cc2)ccc1Cl 46156 TZQSHKZRXFRLTJ-UHFFFAOYSA-N 325.752 4.196 5 40 EIBB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc([N+](=O)[O-])cc1 6537854 LRRXRPPIXWDVSG-UHFFFAOYSA-N 325.151 4.083 5 40 EIBB CCC[C@@H](NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 8448641 ZTBGDNACFJEPIL-KBXCAEBGSA-N 342.395 4.020 5 40 EIBB O=[N+]([O-])c1ccc(NCCc2cccc3cccnc23)c(Cl)c1 14813608 DAJVQCJJJKFJHZ-UHFFFAOYSA-N 327.771 4.451 5 40 EIBB C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2o1 17369105 MQMGVBYYPVWNNS-SNVBAGLBSA-N 344.754 4.485 5 40 EIBB O=[N+]([O-])c1ccc([C@H]2NN=C(c3cccc4ccccc34)S2)cc1 2919681 DKUJNYVCJHMEHC-KRWDZBQOSA-N 335.388 4.445 5 40 EIBB COc1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 12954015 XWISXHKYGYUYIN-LLVKDONJSA-N 348.786 4.090 5 40 EIBB O=[N+]([O-])c1ccc(N2CCC([C@@H](O)c3ccccc3)CC2)c(Cl)c1 22406163 ADDNPEUZWRZOKC-SFHVURJKSA-N 346.814 4.198 5 40 EIBB C[C@H](Sc1nc2sccn2c1[N+](=O)[O-])c1c(F)cccc1F 84647336 SWLOENOCWSNLFD-ZETCQYMHSA-N 341.364 4.436 5 40 EIBB CCOc1ccc(C(=O)OCC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1 3175997 JKGLLRLAYPIYPO-UNEGGNDLSA-N 346.491 4.041 5 40 EIBB CC(C)Oc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 10401316 YHXJNZNBVMGFJO-MDZDMXLPSA-N 326.352 4.034 5 40 EIBB C[C@H](NC(=O)N(C)Cc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 58434692 KZZSZTRVDIJOFA-LBPRGKRZSA-N 347.802 4.151 5 40 EIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCc1ccccc1Cl 217893242 PZWOJTTVRFGVCS-FMIVXFBMSA-N 344.798 4.010 5 40 EIBB O=C(CSCc1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1 408723706 BUHYQOPQGWBUDZ-UHFFFAOYSA-N 336.800 4.120 5 40 EIBB CC(=O)N1c2ccc([N+](=O)[O-])cc2[C@](C)(c2ccccc2)CC1(C)C 4893684 BXZSFWCHYQIWMF-FQEVSTJZSA-N 338.407 4.436 5 40 EIBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2ncsc2c1 14094659 WZASMJFLPPSELQ-NSHDSACASA-N 341.392 4.038 5 40 EIBB COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cc(Cl)ccc1C 17070669 IUZCLAMOTXQTSG-UHFFFAOYSA-N 335.747 4.209 5 40 EIBB Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1[N+](=O)[O-] 20458291 NOXOVOZRJMYOFW-KRWDZBQOSA-N 326.396 4.420 5 40 EIBB Cc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cn1 23519041 ZFMHKFKNMYCBOB-UHFFFAOYSA-N 345.354 4.007 5 40 EIBB O=[N+]([O-])c1c(NC[C@H]2CCN(c3ccccc3)C2)ccc2ncccc12 52001424 JGQOQWILDCNCDW-OAHLLOKOSA-N 348.406 4.081 5 40 EIBB CC(C)Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)cc1 89856525 NUXDFCKQMLDSJK-LBPRGKRZSA-N 332.425 4.346 5 40 EIBB O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 536422 ZXDWNSKLIIJWNE-UHFFFAOYSA-N 346.140 4.074 5 40 EIBB COc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(C(C)(C)C)c1 5699275 AMOPSRGKWHBAMT-UHFFFAOYSA-N 329.352 4.120 5 40 EIBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)C1CC1 12980330 XYAPAXKBOYBLHP-UHFFFAOYSA-N 348.761 4.192 5 40 EIBB CCc1nc2sc3ccccc3c(=O)c2c2nc3ccccc3n12 5208614 YQXKZZIBQGBYRA-UHFFFAOYSA-N 331.400 4.173 5 40 EIBB Cc1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 27664452 SYBAUPDAZPBXEB-UHFFFAOYSA-N 347.374 4.145 5 40 EIBB CCCCCc1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1 1810694 HVUYDEQLIZADRT-UHFFFAOYSA-N 337.379 4.027 5 40 EIBB CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc21 8091838 PNBNFKUEZOBVFJ-SFQUDFHCSA-N 346.342 4.372 5 40 EIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCSCc1ccccc1 32903149 JTKWCYCXSAJNKW-UHFFFAOYSA-N 330.409 4.165 5 40 EIBB CCOc1ccc(NC(=O)c2ccc3nc4ccccc4nc3c2)cc1 33717033 WHRUFLWUEDPBIE-UHFFFAOYSA-N 343.386 4.434 5 40 EIBB C[N+](C)(C)CCCN1c2ccccc2[S@](=O)c2ccc(Cl)cc21 5930234 NTLUSIBKSWJYOE-HSZRJFAPSA-N 349.907 4.055 5 40 EIBB Cc1ccc([N+](=O)[O-])c(OCc2noc(-c3ccccc3Cl)n2)c1 23006810 ITXSGZSGELWGPT-UHFFFAOYSA-N 345.742 4.186 5 40 EIBB Cc1ccc(NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1C 408723856 VXNPXOIFSHRKGN-UHFFFAOYSA-N 330.409 4.084 5 40 EIBB CC(/C=C1\N=C(c2ccc(C)c([N+](=O)[O-])c2)OC1=O)=C\c1ccccc1 4587872 SGTLECOZTMIKBU-NEOBQEPSSA-N 348.358 4.194 5 40 EIBB CC(C)OC(=O)c1cc(Cl)c(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 70462586 HKNVMIRBFJQREZ-NSHDSACASA-N 340.807 4.192 5 40 EIBB C[C@@H](N[C@H](C)c1cccc(-n2ccnc2)c1)c1ccc([N+](=O)[O-])cc1 95968743 PPSYKEKEXFRLGF-HUUCEWRRSA-N 336.395 4.192 5 40 EIBB Cc1cc(C)c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 104988 FBJLVWSUYBUPAL-UHFFFAOYSA-N 327.365 4.074 5 40 EIBB O=C(c1ccccc1[N+](=O)[O-])N1CC=C(c2c[nH]c3ccccc23)CC1 14349121 LEYPMGOZHQBCDJ-UHFFFAOYSA-N 347.374 4.006 5 40 EIBB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)C1 36627541 MTCSBGNEUVIVSR-ZIAGYGMSSA-N 335.403 4.064 5 40 EIBB NC(=O)c1ccc(CS[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 65489842 CZKWEUMNOVDUSS-QGZVFWFLSA-N 342.420 4.005 5 40 EIBB CC1CCN(C(=O)c2ccc3nc4[nH]c5ccccc5c4nc3c2)CC1 408721637 KHVSCLWHKRZJHH-UHFFFAOYSA-N 344.418 4.136 5 40 EIBB CCOc1ccc(C(=O)OCC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1 504082734 JKGLLRLAYPIYPO-XJABCFGWSA-N 346.491 4.041 5 40 EIBB COc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1[N+](=O)[O-] 351574 UKUYGNWQGREYHU-UHFFFAOYSA-N 328.349 4.100 5 40 EIBB CCN(CC)CCNc1cccc2sc3ccccc3c(=O)c12 5010736 LJDRCIHLYQOFIR-UHFFFAOYSA-N 326.465 4.168 5 40 EIBB O=c1cc(-c2ccccc2)oc2c1ccc1[nH]c3ccccc3c(=O)c12 8666369 NVVKFEIQSDYGLR-UHFFFAOYSA-N 339.350 4.455 5 40 EIBB Cc1cc2c(c3oc(=O)c4ccccc4c13)CN(Cc1ccco1)CO2 55393777 LLYYEQCIHJIHTO-UHFFFAOYSA-N 347.370 4.200 5 40 EIBB biogenic Cc1cc(N[C@@H](CN2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] 71952021 OORCTFQHGRVEGU-SFHVURJKSA-N 325.412 4.152 5 40 EIBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(C)(C)C)cc1 10111725 LXPRVLNYMPOISX-ZDUSSCGKSA-N 326.396 4.383 5 40 EIBB COc1ccc2oc(C)c(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2c1 41156487 VQGRHRPASUQJKC-UHFFFAOYSA-N 340.335 4.219 5 40 EIBB O=[N+]([O-])c1ccc(C2N(c3ccccc3)CCN2c2ccccc2)o1 60868 WXASFAWTURIIRA-UHFFFAOYSA-N 335.363 4.213 5 40 EIBB Cc1nn2c(=O)c3cc(-c4ccccc4)sc3nc2c2ccccc12 1017596 XAYRGLFYSBBMHA-UHFFFAOYSA-N 343.411 4.433 5 40 EIBB O=C(Nc1nc(-c2cccs2)cs1)c1ccccc1[N+](=O)[O-] 3104127 JSZPOAHMZMCYMN-UHFFFAOYSA-N 331.378 4.032 5 40 EIBB O=C(c1ccc(F)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 39982737 OGJFGGWWQJXZFY-UHFFFAOYSA-N 338.294 4.152 5 40 EIBB CSc1ccc(CN(C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 40095662 DMIKIEWTCVFLKX-UHFFFAOYSA-N 345.424 4.289 5 40 EIBB Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 36620827 GDNDJMBEPJZKGK-KRWDZBQOSA-N 325.368 4.272 5 40 EIBB O=[N+]([O-])c1cc(-c2noc(C3CCCCC3)n2)ccc1N1CCCC1 9669052 MJBZSRQDZPCYFP-UHFFFAOYSA-N 342.399 4.293 5 40 EIBB CC[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)c(C)c1 217943218 GZYKTBKGTBQRMN-QGZVFWFLSA-N 326.396 4.401 5 40 EIBB CC[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1C 217943432 YOFHJNNJKJYXFL-QGZVFWFLSA-N 326.396 4.401 5 40 EIBB CCN(CC)c1ccc2c(-c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 255187077 BDRYYPXJTNYFOT-UHFFFAOYSA-N 338.363 4.214 5 40 EIBB CCN(CC)C(=O)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 408989117 HAJHZRXVMPEUMD-UHFFFAOYSA-N 333.395 4.138 5 40 EIBB Cc1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)c1 4056813 XGNFRJQJODQIKY-UHFFFAOYSA-N 342.395 4.318 5 40 EIBB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 5062314 TWCREZDEMLCRHM-UHFFFAOYSA-N 349.749 4.214 5 40 EIBB CCc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 10334452 KVXCNHYLOGYZGO-UHFFFAOYSA-N 332.787 4.382 5 40 EIBB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc([N+](=O)[O-])c1 22532446 GGKGKWCKLWSILJ-INIZCTEOSA-N 328.368 4.008 5 40 EIBB C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cc2ccccc2o1 52610253 DJOSYVFUKIELDY-LLVKDONJSA-N 349.346 4.313 5 40 EIBB [O-][N+]12CCCC[C@@H]1[C@H]1C[C@H](C2)[C@H]2CCC[C@@H](c3ccccc3)N2C1 104004394 ALIOABLFDVSQOG-KRAQRYJFSA-N 326.484 4.099 5 40 EIBB Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1[N+](=O)[O-] 170231432 GCKYTTYGTNQKLR-CQSZACIVSA-N 338.407 4.273 5 40 EIBB O=C(C[C@H](c1ccccc1)[C@@H]1CCCC1=O)c1ccc([N+](=O)[O-])cc1 2258880 XNDSARCVLSJXDS-ZWKOTPCHSA-N 337.375 4.321 5 40 EIBB Cc1ccc(C)c(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 7093551 LQHOUNMVBOQVHY-UHFFFAOYSA-N 330.409 4.084 5 40 EIBB Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 328817 BBERTFQTHCFYRW-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB C[N+](C)(C)CCC[N+]1(C)C[C@@H]2[C@@H](C1)[C@H]1CCCCC1=C1CCCC[C@@H]12 4946266 WSQHOCASWIJBAV-MLCQCVOFSA-N 346.603 4.466 5 40 EIBB Cc1nn2c(-c3ccc([N+](=O)[O-])cc3)ccnc2c1-c1ccc(F)cc1 6756752 GKERBDIKBWXBCK-UHFFFAOYSA-N 348.337 4.419 5 40 EIBB Cc1ccc(C)c(NC(=O)CCCNc2ccccc2[N+](=O)[O-])c1 12555085 HKFDJFWJQPSSSX-UHFFFAOYSA-N 327.384 4.042 5 40 EIBB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc([N+](=O)[O-])c1 12822186 OWZWRZUTRXEXPU-UHFFFAOYSA-N 333.347 4.218 5 40 EIBB CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 544414 TYXHDCBZYRVYSG-UHFFFAOYSA-N 347.378 4.211 5 40 EIBB COc1cc2ccn3c4cc(OC)c(OC)cc4cc3c2cc1OC 1624479 XNRNTISMBNPOTJ-UHFFFAOYSA-N 337.375 4.280 5 40 EIBB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C 12137669 JNEWXNZSHZUPEB-QGZVFWFLSA-N 328.368 4.008 5 40 EIBB Cc1cc2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc2cc1Cl 569623 MRJIOLCPNBCETJ-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB O=[N+]([O-])c1ccccc1OCCSc1nnc(C2CCCCC2)o1 53485582 XWISSRXZIZZMGK-UHFFFAOYSA-N 349.412 4.197 5 40 EIBB COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)ccc2C)cc1SC 65624127 BYEAPAOXMUPYHW-UHFFFAOYSA-N 346.408 4.194 5 40 EIBB O=C(Nc1ccc(F)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 266466 IJLQDAYBDKOARW-UHFFFAOYSA-N 326.283 4.246 5 40 EIBB O=[N+]([O-])c1ccc(NC(=S)Nc2ccccc2F)c(Cl)c1 6863802 UGPTWRWMVVJLAT-UHFFFAOYSA-N 325.752 4.196 5 40 EIBB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 7080066 UFTACOHQGHNLIY-ZDUSSCGKSA-N 328.368 4.126 5 40 EIBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1 13114026 QIKYAJPWGQFDHC-UHFFFAOYSA-N 347.783 4.100 5 40 EIBB O=[N+]([O-])c1cccc(-c2noc(-c3ccc(Br)cc3)n2)c1 550370 KMROKEMUEGABKM-UHFFFAOYSA-N 346.140 4.074 5 40 EIBB Cc1cc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2cc1C 5152370 DPSATIBGXURQIM-UHFFFAOYSA-N 327.365 4.074 5 40 EIBB Cc1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)ccc1[N+](=O)[O-] 13000982 HWNGFPYAMLHBAX-ZDUSSCGKSA-N 342.420 4.434 5 40 EIBB O=c1c2ccccc2c2ccccc2c(=O)n1Cc1ccccc1Cl 20413111 NUFPEXJADKNXOJ-UHFFFAOYSA-N 347.801 4.217 5 40 EIBB CCCOc1ccccc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 8560935 XIDWNHCLBGGTBT-UHFFFAOYSA-N 334.759 4.289 5 40 EIBB O=[N+]([O-])c1ccc(NCc2cccc3cccnc23)c2ncccc12 68823557 LUIRFEHRGDYYHY-UHFFFAOYSA-N 330.347 4.303 5 40 EIBB Cc1ccc(-c2nc(CCNc3cccc(F)c3[N+](=O)[O-])co2)cc1 78727515 OCGJTNRXSFLCIB-UHFFFAOYSA-N 341.342 4.352 5 40 EIBB CC(C)(C)CC(C)(C)NC(=O)CSCc1ccc([N+](=O)[O-])cc1 223407431 FUSSGVXOOIOOBJ-UHFFFAOYSA-N 338.473 4.159 5 40 EIBB CC(C)(C)c1ccc(-c2nc(N)c3c(=O)oc4ccccc4c3n2)cc1 208973 MSUBKRCPGGLFDH-UHFFFAOYSA-N 345.402 4.283 5 40 EIBB CC[C@H](C)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 3515345 SRTHOIWLNFWGNH-ZDUSSCGKSA-N 328.368 4.126 5 40 EIBB CCNc1cc(Nc2cc(Cl)ccc2C)c([N+](=O)[O-])c2nonc12 5030118 FUJSYDSJKAGNIP-UHFFFAOYSA-N 347.762 4.268 5 40 EIBB O=[N+]([O-])c1c(NCc2ccc(-c3ccccc3)o2)nc2ccccn12 84562739 AVGUUUYMMJZTMC-UHFFFAOYSA-N 334.335 4.115 5 40 EIBB CC(C)(Oc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])s2)no1 570364261 HEWBCQVOTQJJLZ-UHFFFAOYSA-N 349.343 4.160 5 40 EIBB O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2ccc(F)cc2)CCCC1 3310301 RBLVLDHMWOFNMU-UHFFFAOYSA-N 343.354 4.289 5 40 EIBB CCOC(=O)c1oc2ccccc2c1COc1ccccc1[N+](=O)[O-] 7169071 NMZFHIXVWNALFN-UHFFFAOYSA-N 341.319 4.097 5 40 EIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCSc1ccccc1 6082821 WOPPMJUVABTXEZ-UHFFFAOYSA-N 346.408 4.114 5 40 EIBB O=C(Oc1cccc2cccnc12)c1ccc(Cl)c([N+](=O)[O-])c1 63722 RPUXODCGYBSSTO-UHFFFAOYSA-N 328.711 4.016 5 40 EIBB O=c1c2cc(-c3ccccc3)sc2nc2c3ccccc3cnn12 91487 XENUVJXVQFJZOU-UHFFFAOYSA-N 329.384 4.124 5 40 EIBB C[C@H](c1ccc2ccc3cccc4ccc1c2c34)C(C(=O)O)C(=O)O 1661410 MHRXBOPGEVHNRK-LLVKDONJSA-N 332.355 4.473 5 40 EIBB Cc1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cccc1[N+](=O)[O-] 6473625 COHDIRSRJRMURQ-UHFFFAOYSA-N 348.786 4.353 5 40 EIBB COc1ccc(NC(=S)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1 8026048 UIFTWAACZHGSMI-UHFFFAOYSA-N 331.397 4.029 5 40 EIBB COc1ccc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 25368014 UIWSFMOYMXLAEQ-LBPRGKRZSA-N 346.408 4.031 5 40 EIBB Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 36620828 GDNDJMBEPJZKGK-QGZVFWFLSA-N 325.368 4.272 5 40 EIBB O=C(Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1)c1ccco1 6660584 QGXCAKDOFKDPQT-UHFFFAOYSA-N 339.734 4.445 5 40 EIBB O=[N+]([O-])c1ccccc1CNC1(c2ccc(Cl)cc2)CCOCC1 69740776 OQKUEIXHPSUWCM-UHFFFAOYSA-N 346.814 4.044 5 40 EIBB CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)cc1 20457873 ODUVQXHISHAEMC-MRXNPFEDSA-N 348.786 4.138 5 40 EIBB O=C(NCc1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1Cl 222829025 STEIJLFTFHGBEZ-UHFFFAOYSA-N 340.766 4.331 5 40 EIBB CCc1sc(-c2nnc(COc3ccc([N+](=O)[O-])cc3)o2)cc1C 8938492 QUOFGAXOBJJSBI-UHFFFAOYSA-N 345.380 4.156 5 40 EIBB CC(C)=Cc1oc2ccc([N+](=O)[O-])cc2c1N1C[C@H](C)O[C@H](C)C1 12558576 YIRDBVFDSROVBN-BETUJISGSA-N 330.384 4.378 5 40 EIBB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc([N+](=O)[O-])cc1 33873452 ZVZKTRCVYKDSNE-UHFFFAOYSA-N 345.786 4.101 5 40 EIBB Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1 44948862 ZVMVNRDLSQMIBQ-GFCCVEGCSA-N 332.787 4.356 5 40 EIBB O=C(Oc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccncc1 4066188 YLBVPMKOBAXZEM-UHFFFAOYSA-N 336.303 4.001 5 40 EIBB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)C12CC3CC(CC(C3)C1)C2 7779597 XYYRNDMTDOEOMX-UHSVVUDUSA-N 329.396 4.148 5 40 EIBB O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCCCO3)c2ncccc12 48341997 UHVQEQDWHPCOBG-UHFFFAOYSA-N 337.335 4.048 5 40 EIBB CC(C)c1ccccc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 516671 HHEUKQSVTWRELE-UHFFFAOYSA-N 348.786 4.389 5 40 EIBB Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 2648676 UJSUTIUOVIFZIT-UHFFFAOYSA-N 340.257 4.054 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1oc2ccc(F)cc2c1C 20674425 ZJCCJRRWBSIFCO-UHFFFAOYSA-N 328.299 4.349 5 40 EIBB CC(=O)c1ccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 12516963 VCGLYYJADSNVAE-VXGBXAGGSA-N 330.306 4.330 5 40 EIBB Cc1nc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)co1 12983436 GAFHAAUTNLFFBK-UHFFFAOYSA-N 337.335 4.119 5 40 EIBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N+](C)(C)Cc1ccccc1 41690034 KWSQSVIKAJJHLO-ZHHKINOHSA-N 348.551 4.101 5 40 EIBB O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC(c1ccccc1)c1ccccc1 59488869 RSMDQNFCEBDQSY-ACCUITESSA-N 348.358 4.107 5 40 EIBB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 222983467 CTWPZKJPHSZLEH-QGZVFWFLSA-N 328.368 4.008 5 40 EIBB O=c1c2ccc(Br)c3cccc(c32)c2nc3ccccc3n12 357811 UDEXZMPYCAGPBJ-UHFFFAOYSA-N 349.187 4.354 5 40 EIBB Cc1nn([C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)c(C)c1[N+](=O)[O-] 2625945 LANHIEPGJDZVTO-CYBMUJFWSA-N 329.400 4.150 5 40 EIBB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(C[N+](=O)[O-])=CC[C@@]43C)[C@@H]1CCC2=O 3849792 ZINUHMYIMBDCGQ-VOSWSFSHSA-N 331.456 4.411 5 40 EIBB CCCc1noc(-c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)n1 15833855 XAPMSNXSMHCINS-UHFFFAOYSA-N 330.388 4.342 5 40 EIBB O=[N+]([O-])c1ccc(NCc2ccccc2COc2ccccc2)nc1 30521342 IFVYIHQWHCEJQB-UHFFFAOYSA-N 335.363 4.181 5 40 EIBB COc1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cn1 48300191 DYCCUIQIIBVDJC-UHFFFAOYSA-N 329.359 4.044 5 40 EIBB CCc1cc([N+](=O)[O-])cc(Br)c1N1CCC[C@H](C)C1 226315702 MBYWOQDBKMEBCA-JTQLQIEISA-N 327.222 4.156 5 40 EIBB CCc1cccc(C)c1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 6831519 KOPAOJSAHKYPBW-UHFFFAOYSA-N 339.395 4.292 5 40 EIBB O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 12564866 XKYKHJZHQYKYBH-UHFFFAOYSA-N 333.775 4.079 5 40 EIBB O=C(Nc1cccc(C(F)F)c1)c1cc(F)c(F)cc1[N+](=O)[O-] 67993989 MEXZIAGJOTTZMI-UHFFFAOYSA-N 328.221 4.063 5 40 EIBB Cc1ccccc1-c1noc([C@@H](C)Oc2cc(F)ccc2[N+](=O)[O-])n1 72305369 ARNAHBJQEOOXNG-LLVKDONJSA-N 343.314 4.232 5 40 EIBB C[C@@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 84636430 LTHKRPRYEKQECC-SECBINFHSA-N 335.743 4.464 5 40 EIBB C[C@@H](c1ccco1)N(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 86368630 NJYFZZKZPAOUCR-OLZOCXBDSA-N 343.383 4.184 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 505202 MEYZPGBVJXDKDA-UHFFFAOYSA-N 348.786 4.191 5 40 EIBB O=C(c1csc([N+](=O)[O-])c1)N1CCC(CCc2ccccc2)CC1 40145131 DBPIBZCIYVSSLE-UHFFFAOYSA-N 344.436 4.141 5 40 EIBB CC(C)c1ccc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 60537 IEDAJMIOMPPGMP-LICLKQGHSA-N 336.347 4.063 5 40 EIBB CC1=CC(C)(C)Nc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc21 75387 NYXZFYSOJOJDLS-UHFFFAOYSA-N 338.363 4.421 5 40 EIBB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2nc3ccccc3nc2c1 96573915 OHGOKACRRNOLCB-CQSZACIVSA-N 339.398 4.374 5 40 EIBB C[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1cccc([N+](=O)[O-])c1 86368632 NJYFZZKZPAOUCR-QWHCGFSZSA-N 343.383 4.184 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)/C(=C/c1ccco1)c1ccccc1 218100294 MVONPVLGNYLWQX-QGOAFFKASA-N 334.331 4.367 5 40 EIBB COC(=O)c1ccc(C[N+](C)(C)C[C@@H]2[C@@H](C)CC(C)=C[C@H]2C)cc1 4981732 WBDRYJJPLIJBNL-UWVAXJGDSA-N 330.492 4.288 5 40 EIBB O=C(CSc1nc2ccccc2o1)c1cc([N+](=O)[O-])ccc1Cl 7342094 JNSSUSUYUKWRDX-UHFFFAOYSA-N 348.767 4.364 5 40 EIBB CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 8448635 ZTBGDNACFJEPIL-RDTXWAMCSA-N 342.395 4.020 5 40 EIBB COc1ccc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 25368032 TZVRLYOUEZPHLH-GFCCVEGCSA-N 346.408 4.031 5 40 EIBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(C(C)C)cc1 72228785 ITUSABGCANZDPH-UHFFFAOYSA-N 342.395 4.353 5 40 EIBB CCO[P@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 6411143 DSCQFSLITRQSPU-QFIPXVFZSA-N 341.687 4.182 5 40 EIBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1C[C@H]2CC[C@H]1C2 108337367 SRDSAHKDROUFHZ-COPLHBTASA-N 343.408 4.093 5 40 EIBB O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccccc1Cl 211405 GXYVQQTVRRPFKS-UHFFFAOYSA-N 333.774 4.158 5 40 EIBB O=C(c1ccccc1)[C@H](c1ccccc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 1717808 AEHUBBXPVQRUNH-FPOVZHCZSA-N 347.370 4.295 5 40 EIBB O=[N+]([O-])c1cccc(-c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)c1 64874545 YOQCRHVVIBFRAX-UHFFFAOYSA-N 334.257 4.066 5 40 EIBB O=[N+]([O-])c1ccc(NCCCOCc2ccccc2)c2ccncc12 12638397 ZGZQONOMKKJBNV-UHFFFAOYSA-N 337.379 4.162 5 40 EIBB O=C(Cc1c(Cl)cccc1Cl)OCc1ccc([N+](=O)[O-])cc1 3248241 HMIHWNOBOGTGER-UHFFFAOYSA-N 340.162 4.188 5 40 EIBB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 44841977 QRJIUIRITLVSEY-KRWDZBQOSA-N 342.395 4.316 5 40 EIBB Cc1csc(C2(NCc3ccc([N+](=O)[O-])cc3F)CCCC2)n1 96459527 RNEOSRQWNHSOJT-UHFFFAOYSA-N 335.404 4.058 5 40 EIBB CC(C)(C)c1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 10334133 VDRVAGMWYNTHCJ-UHFFFAOYSA-N 326.396 4.464 5 40 EIBB O=[N+]([O-])c1ccc(NCCOc2ccccc2)c(C(F)(F)F)c1 59475456 GNCVRNODFSZEQU-UHFFFAOYSA-N 326.274 4.105 5 40 EIBB O=C(c1ccc([N+](=O)[O-])s1)N(c1nccs1)C1CCCCC1 3298857 GJDQDZSWCSSQSS-UHFFFAOYSA-N 337.426 4.092 5 40 EIBB C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 10111785 QSDWZXGNYWBSBU-AWEZNQCLSA-N 340.423 4.312 5 40 EIBB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C 12137670 JNEWXNZSHZUPEB-KRWDZBQOSA-N 328.368 4.008 5 40 EIBB Cc1cccc(C(=O)Nc2cccc(OC3CCCC3)c2)c1[N+](=O)[O-] 29070040 GENXZSCWQHMULK-UHFFFAOYSA-N 340.379 4.477 5 40 EIBB C[C@@H](Sc1nc2sccn2c1[N+](=O)[O-])c1c(F)cccc1F 63267118 SWLOENOCWSNLFD-SSDOTTSWSA-N 341.364 4.436 5 40 EIBB COc1cc2nccc(Oc3ccc([N+](=O)[O-])c(F)c3)c2cc1OC 98177797 PARAYNGFAURGJR-UHFFFAOYSA-N 344.298 4.092 5 40 EIBB CC[C@H](C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 505682 HJSCKDVYNCLTCD-ZDUSSCGKSA-N 342.395 4.434 5 40 EIBB Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 288673 VRAVNXMKRLLZCN-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] 6307317 FTPKQUVTHQLXRP-UHFFFAOYSA-N 342.395 4.462 5 40 EIBB CCN(Cc1ccc(Cl)s1)C(=O)c1cccc([N+](=O)[O-])c1C 18831446 CFKOUXARMKVIHJ-UHFFFAOYSA-N 338.816 4.280 5 40 EIBB O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3OCCC[C@H]23)cc1 409189389 KLIQYXNNZHQHBG-FHLIZLRMSA-N 328.343 4.368 5 40 EIBB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 14268883 XXDCRGONKMQHKG-AWEZNQCLSA-N 339.395 4.226 5 40 EIBB Cc1nc(CSc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)cs1 36652409 RVQMQWZKXLJOOR-UHFFFAOYSA-N 344.421 4.109 5 40 EIBB CC(=O)Nc1c(Cl)cc(Cl)c2c1Cc1cc([N+](=O)[O-])ccc1-2 1638377 GMIJXBFTMCCSIM-UHFFFAOYSA-N 337.162 4.431 5 40 EIBB Cc1cc(Cl)cc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc12 4330825 PCPMYZMQXINGHQ-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccc([N+](=O)[O-])c1 6896307 ZAAIYEJKOIPQMH-UHFFFAOYSA-N 345.786 4.101 5 40 EIBB Cc1sc2nc(SCc3cccc([N+](=O)[O-])c3)nc(N)c2c1C 31822152 GGOOLTYYMUEQEN-UHFFFAOYSA-N 346.437 4.091 5 40 EIBB O=[N+]([O-])c1cc(OC(Cl)(Cl)Cl)ccc1Br 95215592 IOVWOUAYBODBPY-UHFFFAOYSA-N 335.368 4.064 5 40 EIBB O=C(NCCSC1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl 408562638 DRHAWAUMEAHNNI-UHFFFAOYSA-N 342.848 4.044 5 40 EIBB O=[N+]([O-])c1ccc2nc(SCCOc3ccccc3)sc2c1 2628162 SWZJRQOXHPXDTC-UHFFFAOYSA-N 332.406 4.376 5 40 EIBB Cc1cccc(C(=O)Nc2ccccc2OC(F)(F)F)c1[N+](=O)[O-] 8924670 QXQSAGFNFAHOIQ-UHFFFAOYSA-N 340.257 4.054 5 40 EIBB O=[N+]([O-])c1ccccc1-c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1 64874544 UYYPKQNHJXYRHF-UHFFFAOYSA-N 334.257 4.066 5 40 EIBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCC[C@H]23)c1 409190594 SOVXTSGOWPANBI-XOKHGSTOSA-N 330.771 4.493 5 40 EIBB Cc1cc(C(=O)Nc2nc3c(C)ccc(C)c3s2)ccc1[N+](=O)[O-] 14257997 ULMVLEWHUQHQAI-UHFFFAOYSA-N 341.392 4.382 5 40 EIBB CC(C)(C)c1ccc(NC(=O)c2c(F)ccc([N+](=O)[O-])c2F)cc1 165793 FTAYGLFNPADXDJ-UHFFFAOYSA-N 334.322 4.423 5 40 EIBB Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)oc2ccc(F)cc2c1=O 3294539 YVXARRYABCVRNS-UHFFFAOYSA-N 333.702 4.469 5 40 EIBB Cc1ccccc1/N=c1\oc2ccc3ccccc3c2cc1C(N)=O 17135829 HHIBMWOWGRQTFY-LNVKXUELSA-N 328.371 4.226 5 40 EIBB O=C(Nc1cc(-c2ccco2)ccc1F)c1ccc(F)cc1[N+](=O)[O-] 95965124 MZYUTCSRHNPONZ-UHFFFAOYSA-N 344.273 4.385 5 40 EIBB Cc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C 223331983 QQVVPYQZNMGNEW-UHFFFAOYSA-N 332.787 4.436 5 40 EIBB O=C(NCc1ccc(F)cc1)c1cc2c(ccc3ccccc32)oc1=O 5949065 LWLSLSKLNBYSGN-UHFFFAOYSA-N 347.345 4.015 5 40 EIBB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 13710881 LZOQKMGQAXFUTF-LBPRGKRZSA-N 348.786 4.271 5 40 EIBB CCOC(=O)c1oc2ccccc2c1COc1cccc([N+](=O)[O-])c1 16207835 JMHIORUBNJZMEO-UHFFFAOYSA-N 341.319 4.097 5 40 EIBB O=c1oc2ccccc2cc1-c1ccc(Br)cc1[N+](=O)[O-] 216937365 OODIYQQHPGQGEG-UHFFFAOYSA-N 346.136 4.131 5 40 EIBB Cc1c(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cccc1[N+](=O)[O-] 38771342 KASAXHDFQCNWND-CQSZACIVSA-N 342.395 4.433 5 40 EIBB CCc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 36623406 FYDWSBFHDWZEAO-NSHDSACASA-N 332.787 4.302 5 40 EIBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2c3c(cccc13)CC2 4079354 CXHHUCBYIGLGNO-UHFFFAOYSA-N 333.347 4.491 5 40 EIBB CCCCCCC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 4404223 PUPYQYKLGJPBOW-LJQANCHMSA-N 334.460 4.311 5 40 EIBB O=[N+]([O-])c1ccc(NCCNCc2ccc(Cl)c(Cl)c2)cc1 8418988 DVDLCIMBFJPXFO-UHFFFAOYSA-N 340.210 4.103 5 40 EIBB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 32895668 STBGUZLUURNNMY-SNVBAGLBSA-N 335.310 4.098 5 40 EIBB CSc1ccc([N+](=O)[O-])c(C(=O)NCC2CCCCCCC2)c1 83992846 KVYRBTWWFQGNJY-UHFFFAOYSA-N 336.457 4.407 5 40 EIBB O=[N+]([O-])c1ccc(CSc2ncnc3sc4c(c23)CCC4)cc1 3485950 YQYZFSJENBBJFI-UHFFFAOYSA-N 343.433 4.381 5 40 EIBB CC[N+](C)(CC)CCN[C@@H](c1ccccc1)C(Cl)(Cl)Cl 4877516 AHXANNDLCSDYGK-AWEZNQCLSA-N 338.730 4.174 5 40 EIBB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 30847511 GLHFQEFDYSEPAF-MRXNPFEDSA-N 348.786 4.353 5 40 EIBB O=[N+]([O-])c1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1 88266823 SWMRKCGHFBKBME-UHFFFAOYSA-N 333.391 4.365 5 40 EIBB CC(=O)n1c2ccc(Br)cc2c2nc3ccccc3nc21 506425 ALUAZCPDPCHWRG-UHFFFAOYSA-N 340.180 4.160 5 40 EIBB CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1Cl 4014310 FEVRTGXHMKDNQC-UHFFFAOYSA-N 340.166 4.196 5 40 EIBB CC(C)(C)C(=O)Cn1nc(-c2ccccc2)c2cc([N+](=O)[O-])ccc21 18190956 KWEPWMFPFFVACN-UHFFFAOYSA-N 337.379 4.227 5 40 EIBB COc1ccc(Oc2ncnc3c2oc2ccccc23)c([N+](=O)[O-])c1 23381054 GSRWXPSIUWRUIF-UHFFFAOYSA-N 337.291 4.085 5 40 EIBB S=C(Nc1cc2ncccc2c2cccnc12)N1CCCCCC1 408977510 WCIJKFZNOMJPEV-UHFFFAOYSA-N 336.464 4.356 5 40 EIBB Cc1c(NC(=O)[C@@H](C)SCc2ccccc2)cccc1[N+](=O)[O-] 6455973 XFCSJEXDRZIBMH-CYBMUJFWSA-N 330.409 4.164 5 40 EIBB Cc1ccc(-c2nc(COc3ccc([N+](=O)[O-])cc3F)co2)cc1 40116545 KZSCNKWKMQBYKB-UHFFFAOYSA-N 328.299 4.276 5 40 EIBB COc1ccc(F)cc1[C@@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 48310953 CWOJNOPQKPSHNI-LLVKDONJSA-N 341.342 4.464 5 40 EIBB CC(C)(C)c1n[nH]cc1/C=C/c1nc2cc([N+](=O)[O-])ccc2s1 58402415 HUYWBQPABHAPDP-QPJJXVBHSA-N 328.397 4.396 5 40 EIBB COC(=O)[C@]12CC[C@](C)(c3nc4cc5ccccc5cc4nc31)C2(C)C 85398839 WUPKUQYIWMPOFJ-YADHBBJMSA-N 346.430 4.285 5 40 EIBB Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 175491 QRBIJSYPOGQVIT-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB O=[N+]([O-])c1ccc(Oc2cccc(Br)c2)c([N+](=O)[O-])c1 1711046 HXJVGBJNIPTSJM-UHFFFAOYSA-N 339.101 4.058 5 40 EIBB Cc1cccc2nc(Nc3nc4ccc([N+](=O)[O-])cc4s3)oc12 57352643 WQTKGLPGJYZVJO-UHFFFAOYSA-N 326.337 4.398 5 40 EIBB CCc1nc([C@H](C)NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cs1 83830257 KJMOKJUYDGWBFX-NSHDSACASA-N 348.428 4.113 5 40 EIBB O=[N+]([O-])c1cc(Cl)c2[nH]c3c(Cl)cc([N+](=O)[O-])cc3c2c1 1733715 YNBOZNTWWGDDLF-UHFFFAOYSA-N 326.095 4.444 5 40 EIBB Cc1nn2c(=O)c3c(-c4ccccc4)csc3nc2c2ccccc12 2696207 DCLCZFWKZFGPEN-UHFFFAOYSA-N 343.411 4.433 5 40 EIBB O=[N+]([O-])c1c(Nc2ccccc2Cl)cc(Cl)c2nonc12 4131724 CGRWADUNFCJJJP-UHFFFAOYSA-N 325.111 4.181 5 40 EIBB O=[N+]([O-])c1cccc(Cn2ccc3cc(Br)ccc32)c1 6257521 LGOOMGOVNBHZOG-UHFFFAOYSA-N 331.169 4.360 5 40 EIBB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 7073052 STPVIXJMXMAZHG-CQSZACIVSA-N 342.395 4.434 5 40 EIBB CC(=O)N1CCC(CNCc2c3ccccc3cc3ccccc23)CC1 105506142 SUTXFTPMUFMZTC-UHFFFAOYSA-N 346.474 4.341 5 40 EIBB O=[N+]([O-])c1ccc(CNN2[C@@H]3CCCC[C@H]3C[C@H]3CCCC[C@H]32)cc1 230030417 XVQZTFSRIZIHRA-PIKOESSRSA-N 343.471 4.423 5 40 EIBB Cc1ccccc1C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 4402216 CBOGAXWGINADGT-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB S=C(Nc1cc2ncccc2c2cccnc12)NC1CCCCC1 6257787 CPPJBVIMFFADEV-UHFFFAOYSA-N 336.464 4.402 5 40 EIBB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 22519961 CWQGOGAHZRPVJU-MRXNPFEDSA-N 348.786 4.353 5 40 EIBB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 36185155 LCHQFLDEAIRJGH-UHFFFAOYSA-N 340.423 4.093 5 40 EIBB O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(F)cc1 87034952 KVJABHKWMQMXGE-GOSISDBHSA-N 342.370 4.030 5 40 EIBB COc1cc2c(c3c1c(=O)c1cccc(F)c1n3C)C=CC(C)(C)O2 5463547 FIFCGCGJUOEOEZ-UHFFFAOYSA-N 339.366 4.024 5 40 EIBB Cc1ccc(OCc2nnc(-c3ccccc3Cl)o2)c([N+](=O)[O-])c1 24732995 FPUJGBBRGOAXAO-UHFFFAOYSA-N 345.742 4.186 5 40 EIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(OC)c(Cl)c1 72228723 QMZNIVILINNDSI-UHFFFAOYSA-N 348.786 4.380 5 40 EIBB Cc1cccc(-c2c[nH]c([C@H]3CCCN3c3ccc([N+](=O)[O-])cn3)n2)c1 72313947 SBHBKOSESKRJPD-QGZVFWFLSA-N 349.394 4.030 5 40 EIBB O=C(Nc1ccc(N2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 137635218 LIWSJGVIBQHABZ-UHFFFAOYSA-N 345.786 4.101 5 40 EIBB Cc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1C 223394788 FQDHEZAKWVZPNE-JCVNQNCUSA-N 338.407 4.411 5 40 EIBB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 14013306 USBSFEIARNDIBC-QGZVFWFLSA-N 328.368 4.008 5 40 EIBB O=[N+]([O-])c1ccc(CNN2[C@H]3CCCC[C@H]3C[C@H]3CCCC[C@@H]32)cc1 19169403 XVQZTFSRIZIHRA-HNJRGHQBSA-N 343.471 4.423 5 40 EIBB O=C(O)c1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cc1 500653085 QMRUXBPHGIXGCB-UHFFFAOYSA-N 342.354 4.339 5 40 EIBB Cc1ccc(OCCCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(C)c1 4056812 NUFIQMILYHGQTP-UHFFFAOYSA-N 342.395 4.318 5 40 EIBB O=C(Cc1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl 224142960 STLZZIHCHPBGOD-UHFFFAOYSA-N 325.151 4.083 5 40 EIBB CCCc1ccc(OCCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1787230 LOLKZAUSKSGYFX-UHFFFAOYSA-N 342.395 4.345 5 40 EIBB COc1ccc(O)c(C(=O)c2cnc3ccc4ccccc4c3c2)c1 3324769 VIWZDQUPJRBZHH-UHFFFAOYSA-N 329.355 4.333 5 40 EIBB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 20050099 MPEXJSJRFXCSEE-AWEZNQCLSA-N 334.759 4.044 5 40 EIBB Cc1ccc(OCc2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 23042636 BCNDTYJCAZTFNE-UHFFFAOYSA-N 333.294 4.227 5 40 EIBB Cc1ccc([C@@H](C)NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)o1 97373986 UQAAFODQQPEZCW-GFCCVEGCSA-N 327.340 4.002 5 40 EIBB C[C@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 8053889 OQMGIZXUBJFXJA-AWEZNQCLSA-N 347.374 4.394 5 40 EIBB O=[N+]([O-])c1ccc(C[n+]2cc(-c3ccccc3)n3c2CCCCC3)cc1 3206780 SWNAYIRJZYGZEZ-UHFFFAOYSA-N 348.426 4.126 5 40 EIBB O=c1oc2ccccc2c(Nc2cc3ccccc3cc2O)c1[N+](=O)[O-] 13554989 BYHIFGWOUJTLFH-UHFFFAOYSA-N 348.314 4.304 5 40 EIBB C[Si](C)(C)CN(Cc1ccccc1)C(=O)c1ccccc1[N+](=O)[O-] 195758622 LZMDCMFIILGPEF-UHFFFAOYSA-N 342.471 4.115 5 40 EIBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 362598 KFJWGXYTWCBUNI-UHFFFAOYSA-N 326.135 4.259 5 40 EIBB Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 5795306 FRHHLYGFBBXMHD-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(C[N+](=O)[O-])=CC[C@@]43C)[C@H]1CCC2=O 13408553 ZINUHMYIMBDCGQ-ADXOPFBHSA-N 331.456 4.411 5 40 EIBB O=C(Nc1ccccc1)c1ccc2[nH]c3ccc(F)cc3c(=O)c2c1 97102841 SHCRWFQALUCGJX-UHFFFAOYSA-N 332.334 4.073 5 40 EIBB O=C1Nc2ccccc2/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 409121204 SWZKBEGJYKFWER-PTNGSMBKSA-N 332.315 4.348 5 40 EIBB COP(=O)(OC)[C@@H](Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 4817183 DRMKQTHRBPDLFD-OAHLLOKOSA-N 336.284 4.191 5 40 EIBB Cc1cccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1[N+](=O)[O-] 95980382 FFPBEEZUTFQZLY-UHFFFAOYSA-N 341.150 4.168 5 40 EIBB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1C 59285693 JNPCRAAFOIPRAS-OAHLLOKOSA-N 342.395 4.248 5 40 EIBB O=[N+]([O-])c1c(Sc2ncc(-c3ccccc3)o2)nc2ccccn12 65947431 BTFTVFILRONUCV-UHFFFAOYSA-N 338.348 4.049 5 40 EIBB O=C(CCc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 220013933 JWYIKIRPMGENHG-UHFFFAOYSA-N 339.178 4.473 5 40 EIBB CCc1cc([N+](=O)[O-])cc(Br)c1N1C[C@@H](C)C[C@@H](C)C1 226315715 GJMDVYFVEQTRJA-PHIMTYICSA-N 341.249 4.402 5 40 EIBB O=C(CSCc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 3438289 YEGNOVPXMVGPGB-UHFFFAOYSA-N 336.800 4.120 5 40 EIBB CN(C)C[C@@H](O)c1ccc2cc(Br)c3ccccc3c2c1 6437160 BFEIFQPDMDCIMF-GOSISDBHSA-N 344.252 4.351 5 40 EIBB CCOc1cccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1 14258339 WBMAJNVRHMWAKI-UHFFFAOYSA-N 334.759 4.208 5 40 EIBB Cc1cc(C(=O)N[C@@H](CC(C)C)c2ccccc2)ccc1[N+](=O)[O-] 30853086 ZWFGUEPOJJEGEO-KRWDZBQOSA-N 326.396 4.420 5 40 EIBB CC(C)c1nc2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc2o1 32818776 GBANTSUHCRQVDG-UHFFFAOYSA-N 339.351 4.041 5 40 EIBB O=[N+]([O-])c1ccc(Cl)c(NC(=S)Nc2ccc(F)cc2F)c1 3414828 FOJKGYGBOPEWIT-UHFFFAOYSA-N 343.742 4.335 5 40 EIBB O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(Cl)c1 79097765 HCUJEPYOLLHMRI-MRXNPFEDSA-N 342.786 4.466 5 40 EIBB COc1ccc(CSc2nc(-c3ccccc3)c[nH]2)cc1[N+](=O)[O-] 62527 ZHKWADRCKUNNNZ-UHFFFAOYSA-N 341.392 4.286 5 40 EIBB CC(C)Oc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 14831630 BELNHQAAEZPQSE-DHZHZOJOSA-N 326.352 4.034 5 40 EIBB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 25106175 ZBBVVZLLFICOFI-NSHDSACASA-N 348.786 4.090 5 40 EIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)c1ccccc1 3103925 QFYBLCAEBPADFC-UHFFFAOYSA-N 332.359 4.442 5 40 EIBB COc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc1O 6787988 LBVURYFVMMXKMC-XVNBXDOJSA-N 328.349 4.089 5 40 EIBB CCCSc1nc2ccccc2n1Cc1cccc([N+](=O)[O-])c1 7942503 QPOPLZPHCFDSPY-UHFFFAOYSA-N 327.409 4.495 5 40 EIBB C[C@@H](SC1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 11445057 VTZOWXQLFVYGGH-SECBINFHSA-N 328.821 4.251 5 40 EIBB O=[N+]([O-])c1c(F)cccc1NC[C@H]1CCCN(Cc2cccs2)C1 64550805 JIWRAYDSCMQLNM-CYBMUJFWSA-N 349.431 4.120 5 40 EIBB O=[N+]([O-])c1cc(NCc2cccc(Br)c2)ccc1F 12569249 WLGMFVIWJWQBJO-UHFFFAOYSA-N 325.137 4.109 5 40 EIBB O=C(O)/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 337586 DRUVAZGVTZPERA-VBKFSLOCSA-N 335.315 4.480 5 40 EIBB Cc1ccccc1C1(CNc2ccc([N+](=O)[O-])s2)CCOCC1 64029830 WYKQLLHIIOAIIN-UHFFFAOYSA-N 332.425 4.125 5 40 EIBB O=C(Nc1ccc(Cl)cc1F)c1ccc(Cl)c([N+](=O)[O-])c1 6510583 SPIGAJGQCOBCCH-UHFFFAOYSA-N 329.114 4.293 5 40 EIBB Fc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccncc1 9419406 WQJOXSIEDCCQCZ-UHFFFAOYSA-N 328.350 4.320 5 40 EIBB C[C@H](Sc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9515165 UOUFNHAQNITTHN-JTQLQIEISA-N 336.800 4.368 5 40 EIBB O=[N+]([O-])c1cnc(N[C@@H]2CCCc3ccccc32)c(Br)c1 78995542 ADWQXIACIZHTIL-CQSZACIVSA-N 348.200 4.242 5 40 EIBB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 2742471 SYLRAMRMVBUOCS-JTQLQIEISA-N 348.761 4.369 5 40 EIBB CC(C)C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 18131209 WHGRZSBAIZOGCS-KRWDZBQOSA-N 326.396 4.041 5 40 EIBB O=[N+]([O-])c1ccc2oc(Cc3ccc(Br)cc3)nc2c1 28814964 KXQJAJIZJYOZAY-UHFFFAOYSA-N 333.141 4.089 5 40 EIBB CC(=O)Oc1c(Cl)c2nc3ccc(=O)cc-3oc2c2ccccc12 85408926 CGBCCTXALYGIOJ-UHFFFAOYSA-N 339.734 4.025 5 40 EIBB O=[N+]([O-])c1cccc(-c2cn3nc(-c4ccccc4F)sc3n2)c1 4678775 PLEJUYMYRRCNHY-UHFFFAOYSA-N 340.339 4.172 5 40 EIBB O=C(N[C@@H](c1ccccc1)c1cccs1)c1ccc([N+](=O)[O-])s1 12266080 LZZXBNRTFXDHTM-HNNXBMFYSA-N 344.417 4.237 5 40 EIBB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc([N+](=O)[O-])c1C 20494875 UQEZPLQAXAALBB-KRWDZBQOSA-N 342.395 4.316 5 40 EIBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 6970881 LJJOBBVJVNDUBE-XOKHGSTOSA-N 330.771 4.493 5 40 EIBB CN(C(=O)c1cc2c(ccc3ccccc32)oc1=O)C1CCCCC1 27529380 SUDVVOGLVDPNCI-UHFFFAOYSA-N 335.403 4.351 5 40 EIBB C[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cc2ccccc2o1 65512052 CYZASYHQTYVRCW-NSHDSACASA-N 349.346 4.313 5 40 EIBB COc1ccc(NC(=O)c2cc(Cl)sc2Cl)c([N+](=O)[O-])c1 4173480 PSGULINIAFFHGR-UHFFFAOYSA-N 347.179 4.224 5 40 EIBB CCc1noc(-c2ccc(N[C@@H](C)c3ccccc3)c([N+](=O)[O-])c2)n1 8587139 KLWIBNXXYKBWDP-LBPRGKRZSA-N 338.367 4.380 5 40 EIBB c1ccc2c(c1)nc(CSc1nnnn1C1CC1)c1ccccc12 16375699 SHAINDIHAWUIQU-UHFFFAOYSA-N 333.420 4.002 5 40 EIBB C[C@@H](Nc1nn2cc(C(C)(C)C)nc2s1)c1cccc([N+](=O)[O-])c1 52452331 KFNYFMQNZWBRQJ-SNVBAGLBSA-N 345.428 4.170 5 40 EIBB O=C(NCCSC1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl 58434761 NWUCEHHFPVKVBS-UHFFFAOYSA-N 343.836 4.046 5 40 EIBB Cc1ccc(O[C@@H](C)c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 6426861 RHZHSXZENOMTQH-LBPRGKRZSA-N 325.324 4.093 5 40 EIBB O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 7780058 RZBBUSQWDLUUHI-QGZVFWFLSA-N 340.379 4.098 5 40 EIBB Cc1ccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)c1 8497872 HYKRXCUEQGNFFI-GFCCVEGCSA-N 348.786 4.271 5 40 EIBB COc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 9141544 ROCXWLJRDSKUGI-IZZDOVSWSA-N 340.379 4.379 5 40 EIBB O=C(Nc1ccc(Cl)c2cccnc12)c1cccc([N+](=O)[O-])c1 12740990 OYGVMYHMRVEDSY-UHFFFAOYSA-N 327.727 4.049 5 40 EIBB C[C@@H]1c2ccsc2CCN1c1ccc([N+](=O)[O-])c2cnccc12 15143888 BKSIVVXKUJKDGH-LLVKDONJSA-N 325.393 4.328 5 40 EIBB O=C(c1ccccc1)c1ccc(NCc2ccc(O)cc2)c([N+](=O)[O-])c1 48286017 DWVNKENCMOBSRG-UHFFFAOYSA-N 348.358 4.144 5 40 EIBB Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C 59351112 GTWZXANTDJGNAQ-GFCCVEGCSA-N 332.787 4.356 5 40 EIBB O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1 80665 JBPHJKZYJSRNJB-UHFFFAOYSA-N 346.140 4.074 5 40 EIBB O=[N+]([O-])c1cccc(-c2nc(N3CCCCC3)c3ccccc3n2)c1 524547 CWWRPSKPVZPCQA-UHFFFAOYSA-N 334.379 4.195 5 40 EIBB Cc1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)c1 7093556 OVCOSYXYCVXGED-UHFFFAOYSA-N 330.409 4.084 5 40 EIBB CC(C)(C)c1n[nH]c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 14019407 KFSBEPUXFYDEEC-UHFFFAOYSA-N 346.334 4.180 5 40 EIBB O=C(c1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1-c1ccccc1 97165836 LEDUKFDEXQOMQT-UHFFFAOYSA-N 343.342 4.165 5 40 EIBB O=C(Nc1nc2ccccc2c2nc3ccccc3n12)c1ccccc1 3893411 JLTNUHKVVOHAFH-UHFFFAOYSA-N 338.370 4.288 5 40 EIBB CCCCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 6596699 DLZLKSULJFNVBI-XDJHFCHBSA-N 338.407 4.442 5 40 EIBB Cc1cc(-c2ccc(/C=C3/SC(=S)N=C3O)o2)ccc1[N+](=O)[O-] 15011586 XOBPRFCFRIQVBN-NTUHNPAUSA-N 346.389 4.492 5 40 EIBB O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc2c(ccc3ccccc32)[nH]1 58404678 CSPGMQOXXNJGHL-UHFFFAOYSA-N 345.358 4.159 5 40 EIBB COC(=O)[C@@]12CC[C@](C)(c3nc4cc5ccccc5cc4nc31)C2(C)C 103708417 WUPKUQYIWMPOFJ-FGZHOGPDSA-N 346.430 4.285 5 40 EIBB O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc([N+](=O)[O-])c1 174886 ZRGXGXIMMFOGRI-UHFFFAOYSA-N 333.756 4.110 5 40 EIBB CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1cccs1 3288986 ZOFMJXJWDFJGQY-UHFFFAOYSA-N 346.437 4.227 5 40 EIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(Cl)cc1 6500629 DBTNROGWQRTIQE-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2o1 8062430 PESBWSNHSSZLDS-SNVBAGLBSA-N 344.754 4.485 5 40 EIBB COc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 8206901 XWVDFBYDUMBFFM-AATRIKPKSA-N 337.734 4.314 5 40 EIBB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc([N+](=O)[O-])cc1 12895830 AWYJNJLNGVPZCW-MRXNPFEDSA-N 330.771 4.129 5 40 EIBB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 14013304 USBSFEIARNDIBC-KRWDZBQOSA-N 328.368 4.008 5 40 EIBB C[C@H](c1nc2ccccc2s1)N(C)CCc1ccc([N+](=O)[O-])cc1 51877803 ZHKRTTQCLYHAPK-CYBMUJFWSA-N 341.436 4.440 5 40 EIBB C[C@@H](OC(=O)CCc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 58004465 UKEOYLDDJWBIGM-LLVKDONJSA-N 335.306 4.110 5 40 EIBB CC(=O)c1ccc(Nc2cccc(Br)c2)c([N+](=O)[O-])c1 116815191 SPDPERDCUJUDRO-UHFFFAOYSA-N 335.157 4.304 5 40 EIBB O=C(C[C@H](c1ccccc1)[C@H]1CCCC1=O)c1ccc([N+](=O)[O-])cc1 2258878 XNDSARCVLSJXDS-QZTJIDSGSA-N 337.375 4.321 5 40 EIBB O=C1c2ccccc2N[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1 7889491 WDPYYMUEIIQNFZ-LJQANCHMSA-N 345.358 4.366 5 40 EIBB CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 11169058 XRXDBZFPDWJUJH-LLVKDONJSA-N 348.786 4.138 5 40 EIBB Cc1c(NC(=O)N2CCC[C@H]2c2cccs2)cccc1[N+](=O)[O-] 15837641 IVUDWDRCWGKESE-AWEZNQCLSA-N 331.397 4.334 5 40 EIBB COc1ccc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 25368028 TZVRLYOUEZPHLH-LBPRGKRZSA-N 346.408 4.031 5 40 EIBB CC(C)c1c2oc3cc(O)ccc3c2nc2c1c(O)nn2C(C)C 79487836 NBSDMPSOXNFKSI-UHFFFAOYSA-N 325.368 4.446 5 40 EIBB Cc1ccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1 428483 UNGZUHORLSJZKB-UHFFFAOYSA-N 344.370 4.210 5 40 EIBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 3552847 KPUMFTXEFGPPAF-VIFPVBQESA-N 339.178 4.393 5 40 EIBB Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1Br 6377275 JROOMULXBMAUDB-UHFFFAOYSA-N 349.184 4.226 5 40 EIBB Cc1nn(C)c(Oc2ccc(OCc3ccccc3)cc2)c1[N+](=O)[O-] 78727391 ZGPVECIDAQFBRO-UHFFFAOYSA-N 339.351 4.008 5 40 EIBB O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)c(Cl)c1 483005 YLOZLHKOABKCSG-UHFFFAOYSA-N 329.114 4.293 5 40 EIBB O=C(SCCCc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1662631 NBRJXERLFISWSQ-UHFFFAOYSA-N 346.364 4.009 5 40 EIBB S=C(Nc1cc2ccncc2c2ncccc12)NC1CCCCC1 6045371 NQVGCGBKASFAPG-UHFFFAOYSA-N 336.464 4.402 5 40 EIBB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c([N+](=O)[O-])c1 6550492 WCRHFLBFEYPBIP-UHFFFAOYSA-N 348.830 4.194 5 40 EIBB [O-][n+]1c(-c2ccc3c4ccccc4ccc3[n+]2[O-])ccc2ccccc21 13810074 TVPVJYOKWZRACX-UHFFFAOYSA-N 338.366 4.080 5 40 EIBB COc1ccc2nc3ccccc3nc2c1NC(=O)c1cccs1 5445374 RZTHGVBMMJBSMQ-UHFFFAOYSA-N 335.388 4.105 5 40 EIBB CC(C)(C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=O)cc1 4502104 IQENCKLLCASNNS-UHFFFAOYSA-N 343.379 4.163 5 40 EIBB COc1ccccc1Nc1c([N+](=O)[O-])sc2ccc([N+](=O)[O-])cc12 4622789 RRKQFDRRYVDQOO-UHFFFAOYSA-N 345.336 4.470 5 40 EIBB CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCc2ccccc21 43342372 POCAUOVVPJQNRK-MRXNPFEDSA-N 345.786 4.399 5 40 EIBB Cc1c(F)cc(C(=O)N[C@@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] 46896484 LHIPPENVQGCFFE-JTQLQIEISA-N 336.750 4.187 5 40 EIBB O=C(Nc1cccc(F)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 97102851 QZDGOAQQVSGKDV-UHFFFAOYSA-N 332.334 4.073 5 40 EIBB C[N+]1(Cc2ccccc2)OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 5211921 SCTKXQCUZBTNBI-FQCMXHLOSA-N 332.423 4.482 5 40 EIBB Cc1nc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2s1 18172466 HDSQMPRRFFYARF-UHFFFAOYSA-N 328.353 4.157 5 40 EIBB C[C@H](N[C@H](C)c1cccc(-n2ccnc2)c1)c1ccc([N+](=O)[O-])cc1 95968742 PPSYKEKEXFRLGF-LSDHHAIUSA-N 336.395 4.192 5 40 EIBB COc1ccc(NC(=O)Nc2cc3cccnc3c3ncccc23)cc1 6441546 FUVAXUQVPJPGOO-UHFFFAOYSA-N 344.374 4.436 5 40 EIBB Cc1c(Cl)cccc1NC(=O)CCCNc1ccccc1[N+](=O)[O-] 12561746 FOSVAPDJTXYVJZ-UHFFFAOYSA-N 347.802 4.387 5 40 EIBB O=[N+]([O-])c1cccc(-c2noc(CNc3cccc4ccccc34)n2)c1 55824685 WQWTVJRDURHPDL-UHFFFAOYSA-N 346.346 4.410 5 40 EIBB Cc1cc(C)c(C)c(C(=O)CSc2ncccc2[N+](=O)[O-])c1C 89568925 DMHQKDUZCVIQPU-UHFFFAOYSA-N 330.409 4.198 5 40 EIBB O=C(OCc1ccc([N+](=O)[O-])cc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102194646 NAHNMMKMXBBIER-JDPPGYRCSA-N 349.814 4.216 5 40 EIBB O=Cc1c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc2ccccc12 205049149 DWLBZEMNWFGUMQ-UHFFFAOYSA-N 338.275 4.261 5 40 EIBB O=[N+]([O-])c1ccc(-c2cnnn2-c2cc(Cl)ccc2Cl)cc1 3172624 VSINQWCSLRFXFX-UHFFFAOYSA-N 335.150 4.149 5 40 EIBB CC[C@H](C)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 6308157 KEOUPTOMPVNTRX-NSHDSACASA-N 343.339 4.269 5 40 EIBB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1 10030072 UAOHNBRPLQLPHN-LLVKDONJSA-N 326.381 4.233 5 40 EIBB CN(Cc1ccsc1)C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 35123753 UWQMLZJFLPOFTG-UHFFFAOYSA-N 345.207 4.235 5 40 EIBB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(C[N+](=O)[O-])=CC[C@@]43C)[C@@H]1CC[C@@H]2O 3849952 DTXNPOBNJOPXJO-OWLVHUDESA-N 333.472 4.203 5 40 EIBB CCN(CC)c1ccc2nc3ccc(=[N+](CC)CC)cc-3sc2c1 4261933 JXBCJUPBVRELNY-UHFFFAOYSA-N 340.516 4.059 5 40 EIBB Cc1ccc(-c2nc(COc3cccnc3[N+](=O)[O-])cs2)cc1 7545060 IODLDJXVVGFZAB-UHFFFAOYSA-N 327.365 4.001 5 40 EIBB Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C 59351118 OOLYKOPFMYKKDA-GFCCVEGCSA-N 332.787 4.356 5 40 EIBB O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccc([N+](=O)[O-])o1 3302123 JIAWTOJULULEKP-UHFFFAOYSA-N 339.332 4.203 5 40 EIBB O=c1cc(-c2cccc([N+](=O)[O-])c2)oc2ccc(Br)cc12 5671440 IPHSQMSRIWZULE-UHFFFAOYSA-N 346.136 4.131 5 40 EIBB in-vivo O=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1ccccc1 6660339 KGUADSZNPOHRBA-UHFFFAOYSA-N 333.318 4.338 5 40 EIBB CC[C@@H](C)c1ccccc1NC(=O)CNc1cccc([N+](=O)[O-])c1 8128736 CDSIVMRZGYMKRS-CYBMUJFWSA-N 327.384 4.159 5 40 EIBB C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc2S1 11055829 BEOBHVHIENVVAJ-GFCCVEGCSA-N 328.393 4.126 5 40 EIBB O=C(NCCc1ccc(O)cc1)c1cc2ccccc2c2cccnc12 65102531 VIUVPHQLZVVALI-UHFFFAOYSA-N 342.398 4.066 5 40 EIBB C[C@@H](CN(C)c1ccccc1)Nc1ccc2ncccc2c1[N+](=O)[O-] 65946893 BUCWWGDLHJEVSX-AWEZNQCLSA-N 336.395 4.080 5 40 EIBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ncc(-c2ccccc2)o1 96404452 BJNHSNZCDJWPDS-AWEZNQCLSA-N 337.379 4.443 5 40 EIBB O=C(Nc1cccnc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8072021 AMSHAGRCBKIJPC-UHFFFAOYSA-N 343.726 4.156 5 40 EIBB CCOc1ccc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)cc1 12800431 VHXCFHNMQRYDJW-IBGZPJMESA-N 326.396 4.331 5 40 EIBB Cc1ccc(SC(=O)NCCOc2ccccc2C)c([N+](=O)[O-])c1 19894534 NSIRPVCOBHXIOY-UHFFFAOYSA-N 346.408 4.092 5 40 EIBB Cc1ccc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])c(C)c1 12554639 FZQWOYYCOWSXMS-UHFFFAOYSA-N 327.384 4.042 5 40 EIBB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1C 20046292 BIZXHDSPFYMFAS-INIZCTEOSA-N 348.786 4.353 5 40 EIBB CC(=O)c1ccc(Sc2nc(-c3ccccc3)c[nH]2)c([N+](=O)[O-])c1 58621302 DYSXQWZJBVJBLJ-UHFFFAOYSA-N 339.376 4.339 5 40 EIBB C[C@H]1Cc2ccccc2N1C(=O)c1ccc2nc3ccccc3nc2c1 96573916 OHGOKACRRNOLCB-AWEZNQCLSA-N 339.398 4.374 5 40 EIBB CN(C)c1ccc(NC(=O)c2ccc3nc4ccccc4nc3c2)cc1 96582953 LLCMGTKKWOTBFT-UHFFFAOYSA-N 342.402 4.101 5 40 EIBB Cc1c(NC(=O)COc2ccccc2C(C)(C)C)cccc1[N+](=O)[O-] 8494193 VNLZTKKTHOPYNN-UHFFFAOYSA-N 342.395 4.218 5 40 EIBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)cc1 14602600 ZYPJDYPRFFONDV-MRXNPFEDSA-N 332.787 4.438 5 40 EIBB O=C(CCc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 225307955 YSMFEOYQYJAOGW-UHFFFAOYSA-N 339.178 4.473 5 40 EIBB Cc1cc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(C)c1Cl 14397770 UFPNCXDBDRKKGM-GFCCVEGCSA-N 348.786 4.271 5 40 EIBB CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 40095654 JLCQRBPEOUMOFL-UHFFFAOYSA-N 331.347 4.096 5 40 EIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Br 5514949 QQFWPKNFCUTHQJ-JXMROGBWSA-N 347.168 4.009 5 40 EIBB Cc1ccnc(Oc2ccc(-n3ncc4ccccc43)cc2)c1[N+](=O)[O-] 543047531 YXODUZURWQQDSH-UHFFFAOYSA-N 346.346 4.429 5 40 EIBB O=[N+]([O-])c1ccccc1-c1n[nH]c(SCc2ccccc2Cl)n1 36136 ZLGGGMDXWFKUAS-UHFFFAOYSA-N 346.799 4.326 5 40 EIBB CCCCOc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 2064509 ZYUMFSMRBAQCPU-UHFFFAOYSA-N 332.331 4.165 5 40 EIBB COc1cccc(C(=O)Nc2ccc3c(=O)c4ccccc4oc3c2)c1 6660862 PYFQIBGLNBVFNU-UHFFFAOYSA-N 345.354 4.207 5 40 EIBB Cc1c(C(=O)NCCC23CC4CC(CC(C4)C2)C3)cccc1[N+](=O)[O-] 14723090 AGRIPXFSEWGPHB-UHFFFAOYSA-N 342.439 4.240 5 40 EIBB Cc1c(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cccc1[N+](=O)[O-] 21934036 VDFUYRYGHQGCFX-CQSZACIVSA-N 338.407 4.273 5 40 EIBB Cc1ccc(/N=c2/c([N+](=O)[O-])c(O)oc3ccccc23)cc1Cl 102539963 PLUMCUNSBCOJRZ-NBVRZTHBSA-N 330.727 4.241 5 40 EIBB COc1ccc([C@H](O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 226293457 LDGLEJPOPBNTFB-HXUWFJFHSA-N 335.359 4.352 5 40 EIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)Cc1ccco1 257088 VNERSPMWJCQHSE-UHFFFAOYSA-N 336.347 4.030 5 40 EIBB Cc1c2ccccc2c(CSCC[C@@H](N)C(=O)O)c2ccccc12 1678475 XUHLTCBCCKHJRA-LJQANCHMSA-N 339.460 4.337 5 40 EIBB O=C(N[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl 3351888 FWXOCRFTQDNULA-MRXNPFEDSA-N 330.771 4.056 5 40 EIBB CC(C)COc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 3359454 RAZQOBBGDDQEFN-UHFFFAOYSA-N 332.331 4.021 5 40 EIBB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C 8558291 IBDBVCUVTSVDLP-INIZCTEOSA-N 348.786 4.353 5 40 EIBB Cc1c(COc2nc(-c3ccccc3Cl)no2)cccc1[N+](=O)[O-] 72068242 WJEBLXKYLMSTIF-UHFFFAOYSA-N 345.742 4.186 5 40 EIBB CCOC(=O)c1c(-c2ccc(F)cc2)oc2cc([N+](=O)[O-])c(O)cc12 91692433 JDTVYJUIRIKAMA-UHFFFAOYSA-N 345.282 4.029 5 40 EIBB CN(C(=O)c1ccc2[nH]c3ccc(F)cc3c(=O)c2c1)c1ccccc1 97165894 IMVWWQIUHJVECT-UHFFFAOYSA-N 346.361 4.097 5 40 EIBB Cc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 5511883 XRBMFPOEEBBROD-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB O=C(c1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 10911736 LCHPZILQILRZET-UHFFFAOYSA-N 344.798 4.348 5 40 EIBB Cc1cccc(C(=O)Nc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1 12549808 SEXALOSGCYYGHZ-UHFFFAOYSA-N 349.346 4.343 5 40 EIBB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 13856391 NIKVNJHECTXSNG-INIZCTEOSA-N 348.786 4.353 5 40 EIBB C[C@H](Nc1nn2cc(C(C)(C)C)nc2s1)c1cccc([N+](=O)[O-])c1 52452329 KFNYFMQNZWBRQJ-JTQLQIEISA-N 345.428 4.170 5 40 EIBB O=[N+]([O-])c1ccccc1N1CCC(CCc2ccc(O)cc2)CC1 62587285 VDGGQDNOTKMKCA-UHFFFAOYSA-N 326.396 4.150 5 40 EIBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(C)cc1C 218132883 PZPIGALXNWJOGS-KRWDZBQOSA-N 326.396 4.401 5 40 EIBB Cc1c(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] 32754292 ODEZPFIDRBRKNA-ZDUSSCGKSA-N 338.363 4.483 5 40 EIBB O=[N+]([O-])c1ccc(N(Cc2ccc(C(F)(F)F)cc2)C2CC2)nc1 64915186 ACPHUCGQWKJWDA-UHFFFAOYSA-N 337.301 4.178 5 40 EIBB Cc1ccc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 3499335 XTLDLMYILZAZOP-CYBMUJFWSA-N 330.409 4.331 5 40 EIBB CSc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1 5299087 PAPSJKWSANMXSP-UHFFFAOYSA-N 345.405 4.179 5 40 EIBB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 7073043 CHYORKXMHSUACN-CYBMUJFWSA-N 342.395 4.434 5 40 EIBB O=[N+]([O-])c1ccc(NCc2cc(Cl)c3c(c2)OCCCO3)s1 64029292 JOOWBWCEBBYFIT-UHFFFAOYSA-N 340.788 4.083 5 40 EIBB O=C(O)c1cccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 271689 KYJUPOUIAXBNDS-UHFFFAOYSA-N 341.348 4.160 5 40 EIBB Cc1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 4056809 YKENXUJSGMMZNX-UHFFFAOYSA-N 328.368 4.009 5 40 EIBB CC[C@@H](C)OC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1ccccc12 5410970 PJZHFJDMHZBMPZ-OLZOCXBDSA-N 340.375 4.055 5 40 EIBB CCOc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1 9141763 LKDJDCWHUMNIPK-UHFFFAOYSA-N 334.759 4.208 5 40 EIBB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 12924640 LGBOCJYLZRSJJM-WHWKNOJMSA-N 342.420 4.206 5 40 EIBB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N+](C)(C)Cc1ccccc1 41690037 KWSQSVIKAJJHLO-BDKRGJGYSA-N 348.551 4.101 5 40 EIBB CN(Cc1ccccc1[N+](=O)[O-])c1ncc(C(F)(F)F)cc1Cl 48263198 XPASHPGZGBPLFB-UHFFFAOYSA-N 345.708 4.298 5 40 EIBB CC1(C)C[C@](C)(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2N1 7029712 QACPROXCTFXFER-SFHVURJKSA-N 341.367 4.403 5 40 EIBB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 8987536 GEMCIBKWMRHWCL-VIFPVBQESA-N 347.421 4.099 5 40 EIBB Cc1c(C(=O)NCc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 3603166 IWQZBKVLAUVRKG-UHFFFAOYSA-N 339.178 4.140 5 40 EIBB O=C(CCC(=O)c1ccc2ccccc2c1)Nc1cccc([N+](=O)[O-])c1 7943178 GGSJAWHZRKLVTJ-UHFFFAOYSA-N 348.358 4.350 5 40 EIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccc(Cl)c1 9141731 GJBXUGCPEJYBGM-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB O=[N+]([O-])c1cccc(CSc2nc(-c3ccccc3Cl)n[nH]2)c1 19928187 LDMUMJVEZRJZGS-UHFFFAOYSA-N 346.799 4.326 5 40 EIBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C 225321012 FFMCSUUMLFWRFY-UHFFFAOYSA-N 334.759 4.208 5 40 EIBB CC1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 559752 XGPHJADYMRNGIQ-UHFFFAOYSA-N 339.395 4.083 5 40 EIBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2cc(C)on2)cc1 7752567 AXHJIUIYNAZSAN-UHFFFAOYSA-N 340.335 4.146 5 40 EIBB CC[C@@H]1c2ccccc2-c2cc(Nc3ncnc(N)c3[N+](=O)[O-])ccc21 35682001 SLZQSTFRMFZBCT-GFCCVEGCSA-N 347.378 4.233 5 40 EIBB CCc1ccc(CC)c(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 223525472 WGLOGMVBGWYBLE-PKNBQFBNSA-N 338.407 4.049 5 40 EIBB CCN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(C)C 5200371 HWABEGYTMPKHFT-UHFFFAOYSA-N 327.384 4.082 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)SCc1ccccc1 22904317 DHDWNRUOBZIPMT-ZDUSSCGKSA-N 330.409 4.164 5 40 EIBB Cc1[nH]c2ccc(CNC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2c1C 64901462 BBTRODHJXLMSIS-CSKARUKUSA-N 349.390 4.023 5 40 EIBB O=[N+]([O-])c1cnc(N[C@H]2CCCc3ccccc32)c(Br)c1 78995536 ADWQXIACIZHTIL-AWEZNQCLSA-N 348.200 4.242 5 40 EIBB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 19009028 SPRGQGZVURZJKE-UHFFFAOYSA-N 332.359 4.443 5 40 EIBB C[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 89904938 UEWWXIHMGLQSOE-AWEZNQCLSA-N 349.390 4.213 5 40 EIBB O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4122594 UKTIHLPJXKCWTA-UHFFFAOYSA-N 345.786 4.101 5 40 EIBB CCCCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F 7659104 GMAUUJQTDBZSHR-UHFFFAOYSA-N 332.331 4.165 5 40 EIBB Cc1c(CN2CCn3cccc3[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] 58406462 PTLPUNVVOHKISU-NRFANRHFSA-N 347.418 4.310 5 40 EIBB O=[N+]([O-])c1ccc([C@H]2NN=C(C34CC5CC(CC(C5)C3)C4)S2)cc1 59378152 UNDGXDDHBGMYOH-CYPWDGBBSA-N 343.452 4.460 5 40 EIBB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc([N+](=O)[O-])cc1 176210 ULJFDSVGCKJMCN-UHFFFAOYSA-N 343.339 4.110 5 40 EIBB O=C(N[C@H]1CCCc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 6232005 PIEOWUUXKWWBDK-HNNXBMFYSA-N 330.771 4.056 5 40 EIBB CCc1ccc([C@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 78457635 YMPULHMYQDQIMH-NSHDSACASA-N 332.787 4.302 5 40 EIBB Cc1ncc2c(=O)c3c(oc2n1)c1ccccc1n3Cc1ccccc1 1646036 LLFSQXVLTAXIIX-UHFFFAOYSA-N 341.370 4.048 5 40 EIBB O=c1[nH]c(-c2cccc([N+](=O)[O-])c2)nc2sc(-c3ccccc3)cc12 17309222 IDKZKVLYFWMPGA-UHFFFAOYSA-N 349.371 4.227 5 40 EIBB CC(C)C1=NN=C(c2cc(C(C)C)n(-c3ccc([N+](=O)[O-])cc3)n2)C1 68603796 DQUIGCBOEYEPHT-UHFFFAOYSA-N 339.399 4.109 5 40 EIBB Cc1nc2sc3c(nnn4c5ccccc5nc34)c2c(C)c1Cl 54556 QGBOVHNXYHTLLZ-UHFFFAOYSA-N 339.811 4.311 5 40 EIBB Cn1c(SCC2CCCCC2)nnc1-c1ccc([N+](=O)[O-])cc1 422058 FBWAGCLSBZFUIL-UHFFFAOYSA-N 332.429 4.063 5 40 EIBB Cc1cc(-c2nc3cc([N+](=O)[O-])ccc3o2)ccc1Br 226239775 YWKDPWHDYXOMJJ-UHFFFAOYSA-N 333.141 4.474 5 40 EIBB Cc1ccccc1C(O)(c1ccccc1C)[C@H]1C[N+]2(C)CCC1CC2 1240604 CNIGOONYHPRPAV-GJFCNDCISA-N 336.499 4.026 5 40 EIBB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] 30316286 INBQHOXATRKBOB-GFCCVEGCSA-N 332.787 4.010 5 40 EIBB O=C(Cc1ccccc1[N+](=O)[O-])NC(c1ccccc1)c1ccccc1 5172102 XQVDQDIANXNBFN-UHFFFAOYSA-N 346.386 4.043 5 40 EIBB Cc1c(CN[C@H](C)c2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] 390833420 HIAFLQLSNOAELT-SECBINFHSA-N 345.346 4.229 5 40 EIBB O=[N+]([O-])c1c(Oc2ccc(F)cc2)ncnc1Oc1ccc(F)cc1 42144 GIZBXLIIKZSUMU-UHFFFAOYSA-N 345.261 4.248 5 40 EIBB O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2cccnc2)no1 6868023 JDEODNUPFPGSMN-UHFFFAOYSA-N 341.326 4.058 5 40 EIBB CCOc1ccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2CC)cc1 72228715 SXKVTGUZZAZZBM-UHFFFAOYSA-N 328.368 4.117 5 40 EIBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F 1741687 NMXSYFAQRSMEFI-UHFFFAOYSA-N 343.236 4.397 5 40 EIBB CCc1noc(-c2ccc(NCc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 20897999 ZEXLEAWKVBROAB-UHFFFAOYSA-N 338.367 4.128 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(F)cc1 25314378 VCNUXZAJDOVILZ-MRXNPFEDSA-N 329.331 4.103 5 40 EIBB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] 30316287 INBQHOXATRKBOB-LBPRGKRZSA-N 332.787 4.010 5 40 EIBB Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1Br 226248166 FNPNFCLHSQNBQO-UHFFFAOYSA-N 333.141 4.474 5 40 EIBB CC(=O)c1ccc(Sc2nc3cc(C)ccc3[nH]2)c([N+](=O)[O-])c1 6428428 HGWRVRIDFACLHL-UHFFFAOYSA-N 327.365 4.133 5 40 EIBB Cc1ccnc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 27648444 VYRBYIOPPDCTOC-UHFFFAOYSA-N 348.362 4.294 5 40 EIBB CC(C)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1Cl 40072321 YZXKYUNSIQQZBL-UHFFFAOYSA-N 338.747 4.128 5 40 EIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 4043732 GJLYTKAWRZHWHW-LBPRGKRZSA-N 348.786 4.271 5 40 EIBB Cc1cc(-c2ccc([N+](=O)[O-])cc2)oc1C(=O)NC1CCCCC1 11690004 UCRVILPZMJLJFP-UHFFFAOYSA-N 328.368 4.226 5 40 EIBB O=C(Nc1cc(Cl)cc2cccnc12)c1ccc([N+](=O)[O-])cc1 12527892 MOHBOXKJIYSRPV-UHFFFAOYSA-N 327.727 4.049 5 40 EIBB COc1ccc(-c2ccc(C(=O)Nc3ccccc3)o2)c([N+](=O)[O-])c1 5034483 FKTGOJLCSRJFBX-UHFFFAOYSA-N 338.319 4.116 5 40 EIBB COc1ccc2oc(Nc3nc4ccc([N+](=O)[O-])cc4s3)nc2c1 57352640 LXNYXZPQEDUZJI-UHFFFAOYSA-N 342.336 4.098 5 40 EIBB Cc1cc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] 59373630 CWCOPHHYSJXSGC-KRWDZBQOSA-N 340.379 4.016 5 40 EIBB O=C(Nc1cccc(F)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33662643 GVKVKNXRVAYFRZ-UHFFFAOYSA-N 326.283 4.246 5 40 EIBB COc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)o2)c([N+](=O)[O-])c1 85345482 DUHNCCYAFJHWOK-UHFFFAOYSA-N 335.319 4.407 5 40 EIBB O=[N+]([O-])c1cccnc1Oc1ccc(-n2ncc3ccccc32)cc1 541190967 XETAIZBLLMGNDD-UHFFFAOYSA-N 332.319 4.121 5 40 EIBB CSc1nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2s1 3554264 AJLFQYLQDWBXJQ-UHFFFAOYSA-N 345.405 4.179 5 40 EIBB Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccc(F)cc3)nc12 4678170 NQDDUZGYBXGAFO-UHFFFAOYSA-N 336.326 4.054 5 40 EIBB Cc1ccc(-c2nc(COc3ccc([N+](=O)[O-])cc3F)cs2)o1 40116534 JNJUWGOCZKPPQN-UHFFFAOYSA-N 334.328 4.338 5 40 EIBB O=Nc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cc(-c3ccccc3)nn12 104236940 NPJOBEMJDJTIFL-UHFFFAOYSA-N 333.307 4.303 5 40 EIBB Cc1ccc2c(CNc3cccc([N+](=O)[O-])c3C)cc(=O)oc2c1C 8212664 RKKBKHBRAKVMEJ-UHFFFAOYSA-N 338.363 4.239 5 40 EIBB Cc1c(C(=O)N2CC[C@H](C)Sc3ccccc32)cccc1[N+](=O)[O-] 12857989 ZUTAWINGRAVZRL-LBPRGKRZSA-N 342.420 4.434 5 40 EIBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cc(F)cc2cccnc12 40086043 GNGWFIQXJXLCNL-ZDUSSCGKSA-N 339.370 4.475 5 40 EIBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccc(Br)c1 45888893 KIMDFDSPCSPDIZ-UHFFFAOYSA-N 349.184 4.226 5 40 EIBB Cc1ccc2sc(NCC(=O)c3ccc([N+](=O)[O-])cc3)nc2c1C 151656 WBYJFFNBVQGNHX-UHFFFAOYSA-N 341.392 4.116 5 40 EIBB COc1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1Cl 408964643 DYXUSMNIVSNEKS-UHFFFAOYSA-N 346.726 4.255 5 40 EIBB COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 4702866 HEAFKOSYOAHTDM-UHFFFAOYSA-N 328.368 4.153 5 40 EIBB Cc1nn(-c2ccccc2)c(Cl)c1CNc1cccc([N+](=O)[O-])c1 7339815 OYNFITNGMKIZMW-UHFFFAOYSA-N 342.786 4.354 5 40 EIBB C[N+]1(C[C@@H]2CO[C@](c3ccccc3)(C3CCCCC3)O2)CCCCC1 3874576 AXWZZEWIGNYBGA-YADHBBJMSA-N 344.519 4.466 5 40 EIBB in-man Cc1c(Cl)ccc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc12 4330823 YKMYCLIHCDKDCC-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cccc1[N+](=O)[O-] 12914442 DFYDXXUGIWBGSE-KRWDZBQOSA-N 344.798 4.438 5 40 EIBB CCCOc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1OCC 408553575 ALJBBTRORFIAGO-UHFFFAOYSA-N 330.384 4.394 5 40 EIBB O=Cc1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1 408858257 YAEPWKYRUCRIDV-UHFFFAOYSA-N 330.521 4.083 5 40 EIBB COc1ccc2c(c1)c(C[C@H](C)[N+](=O)[O-])c(C)n2Cc1ccccc1 1598650 ADRWJAJBBRQYHQ-AWEZNQCLSA-N 338.407 4.214 5 40 EIBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 3330698 ZZYCPGBATIITLA-UHFFFAOYSA-N 346.437 4.227 5 40 EIBB Cc1cccc(-n2c(C)nnc2SCc2cccc([N+](=O)[O-])c2)c1 9817049 LZKSMQCBASFSFX-UHFFFAOYSA-N 340.408 4.085 5 40 EIBB COc1ccc(-c2c3cn[nH]c3nc3c2oc2cc(O)ccc23)cc1 96114869 HYFWOKNQTDHXNN-UHFFFAOYSA-N 331.331 4.239 5 40 EIBB biogenic C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)CCC2 223155684 HRQZQAYMANWLHG-NSHDSACASA-N 344.798 4.228 5 40 EIBB CC(=O)O[C@H](c1cc([N+](=O)[O-])ccc1Cl)C(Cl)(Cl)Cl 3202825 DFWRZWVVGZOISB-SECBINFHSA-N 346.981 4.223 5 40 EIBB CCCOc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1 4023042 WRNCXQUMXVISMV-RUYIAYPLSA-N 346.491 4.041 5 40 EIBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 9426685 AAHCWEXUDYIAIO-UHFFFAOYSA-N 336.800 4.120 5 40 EIBB CCNc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2ccccc12 16377385 CUVBRXRRZUWIAD-UHFFFAOYSA-N 340.408 4.262 5 40 EIBB O=C(Sc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 1688782 GQEJBOKWERNZLV-UHFFFAOYSA-N 338.182 4.290 5 40 EIBB C[C@@H](NC(=O)c1occc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 84656330 NSIPFHLJQLJFAV-CYBMUJFWSA-N 336.347 4.346 5 40 EIBB CCCCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 4902895 JNRRKGLJFUONST-UHFFFAOYSA-N 339.351 4.491 5 40 EIBB Cc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] 40095659 BBFDFFLEYYDBBD-UHFFFAOYSA-N 333.775 4.221 5 40 EIBB CN(Cc1cccc2ccccc12)C(=O)/C=C/c1ccccc1[N+](=O)[O-] 58345372 XECHFIVOEUHQGS-BUHFOSPRSA-N 346.386 4.420 5 40 EIBB O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 290947 WINJRQNPVAWXHC-LJQANCHMSA-N 345.358 4.366 5 40 EIBB O=C(CCc1c(Cl)cccc1Cl)Nc1cccc([N+](=O)[O-])c1 225349659 MXTDETMCPXMSHD-UHFFFAOYSA-N 339.178 4.473 5 40 EIBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1F 2726410 XFIBVRQXASYVEG-UHFFFAOYSA-N 340.763 4.118 5 40 EIBB COc1ccc(C(=O)Oc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 6378008 GVTLSQYGFPNJFP-UHFFFAOYSA-N 342.134 4.129 5 40 EIBB O=[N+]([O-])c1ccc(-c2ncn(Cc3ccc(Cl)c(Cl)c3)n2)cc1 72066290 KDPDHNHBJSQFKO-UHFFFAOYSA-N 349.177 4.208 5 40 EIBB O=C(Nc1cc([N+](=O)[O-])ccc1F)c1sccc1SC(F)F 107103640 PHQOSGNNNSAXPQ-UHFFFAOYSA-N 348.327 4.362 5 40 EIBB O=C(Nn1c2ccccc2c2ccccc21)c1ccc([N+](=O)[O-])cc1 2288987 LVPCAMHLIMDGQK-UHFFFAOYSA-N 331.331 4.087 5 40 EIBB CCOc1ccc(Nc2nc(NC(C)(C)C)nc(C)c2[N+](=O)[O-])cc1 5393480 SFMUIMFQYHXRLP-UHFFFAOYSA-N 345.403 4.046 5 40 EIBB CC[C@@H](C)N(C(=S)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)CC 17071136 CEEORMKDHNWNLI-VXGBXAGGSA-N 339.461 4.199 5 40 EIBB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 22533339 SKTOYAYUKHDVTR-GOSISDBHSA-N 342.395 4.121 5 40 EIBB Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C 59351113 GTWZXANTDJGNAQ-LBPRGKRZSA-N 332.787 4.356 5 40 EIBB Brc1ccnc2c1ccc1c(Br)ccnc12 95079060 AKZAIDYHEKUXBU-UHFFFAOYSA-N 338.002 4.308 5 40 EIBB in-vitro Cc1ccc(NC(=O)c2ccc3[nH]c4ccc(F)cc4c(=O)c3c2)cc1 97102849 KKMFQGJXOMMTPJ-UHFFFAOYSA-N 346.361 4.381 5 40 EIBB O=C(NCc1ccc2ccccc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 222746540 RBHLUJKAZFODHU-UHFFFAOYSA-N 340.766 4.331 5 40 EIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc2ccccc2c1 222746923 AUKACBVTHPOHBX-XYOKQWHBSA-N 332.359 4.078 5 40 EIBB O=C(CCSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 5191939 MEPLPBQURJOJBL-UHFFFAOYSA-N 336.800 4.369 5 40 EIBB O=C(c1cccc([N+](=O)[O-])c1)N1CC=C(c2c[nH]c3ccccc23)CC1 12948385 JNWMDWSOTNQQRT-UHFFFAOYSA-N 347.374 4.006 5 40 EIBB Cc1cc([N+](=O)[O-])cc2sc(Nc3nc4ccccc4o3)nc12 57352544 UXTIUMUZUNPSLD-UHFFFAOYSA-N 326.337 4.398 5 40 EIBB COc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccccc2[C@@H]2OCCC[C@H]12 6954184 SRIKRWJJCCYXOF-ZMYBRWDISA-N 340.379 4.238 5 40 EIBB CCCC(=O)Nc1cc(N2CCC(C)CC2)c([N+](=O)[O-])cc1Cl 72229031 RFIGPQFYQRPQHK-UHFFFAOYSA-N 339.823 4.223 5 40 EIBB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1[N+](=O)[O-] 4550786 OOSJRIOKOUDGAS-UHFFFAOYSA-N 329.114 4.293 5 40 EIBB CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)c1nc3cc4ccccc4cc3nc12 103674093 RCDMZQUGLGNBCM-SFTDATJTSA-N 332.403 4.197 5 40 EIBB Cc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] 208710627 OXCJRMMUNBYCCQ-GDNBJRDFSA-N 340.360 4.144 5 40 EIBB Cc1ccc(NC(=O)COc2cccc3ccccc23)cc1[N+](=O)[O-] 15410280 VIFUKBSGVGJJOO-UHFFFAOYSA-N 336.347 4.074 5 40 EIBB COc1cc(C(c2ccc(C)o2)c2ccc(C)o2)c(O)cc1[N+](=O)[O-] 3846772 RHLXLFKKFUPUHU-UHFFFAOYSA-N 343.335 4.292 5 40 EIBB biogenic O=[N+]([O-])c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1cccc(Cl)c1)N2 6970037 LNQRSKKTZHMMIQ-XOKHGSTOSA-N 330.771 4.493 5 40 EIBB Cc1c(F)cc(C(=O)N[C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] 46896487 LHIPPENVQGCFFE-SNVBAGLBSA-N 336.750 4.187 5 40 EIBB COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1Br 73642113 OFEVATWEQPWHQF-UHFFFAOYSA-N 349.140 4.174 5 40 EIBB O=C(Oc1nc2ccccc2s1)c1ccc(Cl)c([N+](=O)[O-])c1 64493 GUFOCYIRPNOHHF-UHFFFAOYSA-N 334.740 4.077 5 40 EIBB Cc1ccc(OCCCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 4056808 YSOGVHSDFXICTR-UHFFFAOYSA-N 328.368 4.009 5 40 EIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCOc1ccccc1 4181153 ZARADXLJZPLRIL-UHFFFAOYSA-N 326.274 4.105 5 40 EIBB CC(C)c1ocnc1C(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1 75142268 JBLOFPDZEUDLRF-UHFFFAOYSA-N 343.383 4.296 5 40 EIBB Cc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1CCCC1 9420300 VQFCYZLQEFTVRE-UHFFFAOYSA-N 330.435 4.142 5 40 EIBB COc1c(C)cccc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C 14258332 FITXJBQYFSBRPQ-UHFFFAOYSA-N 334.759 4.126 5 40 EIBB CC(=O)c1ccc(NCCc2cccc3cccnc23)c([N+](=O)[O-])c1 23078239 JMQKJQKMBJYTLM-UHFFFAOYSA-N 335.363 4.000 5 40 EIBB Cn1c(-c2cccc(Cl)c2)cnc1NCc1cccc([N+](=O)[O-])c1 4678319 IITDBSXUMSKCEL-UHFFFAOYSA-N 342.786 4.261 5 40 EIBB C[N+]12CCCC[C@H]1[C@H](OC(=O)C1(c3ccccc3)CCCC1)CCC2 5027109 ZIVXSNSWRIBHKJ-RCCQNZRSSA-N 342.503 4.203 5 40 EIBB CCc1sc(-c2nnc(COc3ccccc3[N+](=O)[O-])o2)cc1C 9365654 LCRPKMDVNSAOGG-UHFFFAOYSA-N 345.380 4.156 5 40 EIBB O=[N+]([O-])c1ccc(N[C@@H](c2ccc(F)cc2)c2cccs2)nc1 13016014 PREIWUAQJDEIHA-INIZCTEOSA-N 329.356 4.392 5 40 EIBB C[C@@H]1c2[nH]c3ccccc3c2CCN1CCc1ccc([N+](=O)[O-])cc1 84718152 SESOAYZPIREFSU-CQSZACIVSA-N 335.407 4.238 5 40 EIBB O=C1Oc2ccccc2[C@]1(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 116091 HHFBVLSDPSXXSU-NRFANRHFSA-N 345.354 4.043 5 40 EIBB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 376501 BOZWFKBUNLRQDD-JTQLQIEISA-N 348.761 4.369 5 40 EIBB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 3551916 KSRHZCDYTPZVGQ-UHFFFAOYSA-N 334.759 4.126 5 40 EIBB Cc1c(NC(=O)c2cc3c(s2)CCCCC3)cccc1[N+](=O)[O-] 8136960 DLYWSTGJYWHZSS-UHFFFAOYSA-N 330.409 4.486 5 40 EIBB C[C@H]1CCCCN1C(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 20160308 WCRZQRRCJVKYBP-VIFPVBQESA-N 338.816 4.478 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(F)cc1 25314376 VCNUXZAJDOVILZ-INIZCTEOSA-N 329.331 4.103 5 40 EIBB CCCOC(=O)c1cc(Cl)c(N2CCC(C)CC2)c([N+](=O)[O-])c1 70462582 ITFMUGHPNWTSRV-UHFFFAOYSA-N 340.807 4.051 5 40 EIBB COc1ccc(OCCSc2ccc(Cl)cc2[N+](=O)[O-])cc1 13135426 DBMOSVNGFLNSDB-UHFFFAOYSA-N 339.800 4.428 5 40 EIBB COc1ccc(NC(=O)Nc2cc3cccnc3c3cccnc23)cc1 408974189 DEPQGULTRPHGKS-UHFFFAOYSA-N 344.374 4.436 5 40 EIBB CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc21 575048 ARRJBPOTBVTALK-ATVHPVEESA-N 346.342 4.372 5 40 EIBB O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccccc1F 4079327 GWLLFCDWXVVGAQ-UHFFFAOYSA-N 349.368 4.171 5 40 EIBB Cn1c(-c2ccc(F)cc2)cn2cc(-c3cccc([N+](=O)[O-])c3)nc12 4678260 NBQFXJCLTFWXEV-UHFFFAOYSA-N 336.326 4.054 5 40 EIBB COc1ccc(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1Cl 4981401 YSEUJVACFQLJJO-UHFFFAOYSA-N 346.726 4.107 5 40 EIBB COc1ccc(C(=O)Nc2c(C)cc(C)cc2Cl)cc1[N+](=O)[O-] 5611911 FQJDFEKTSZIUDP-UHFFFAOYSA-N 334.759 4.126 5 40 EIBB O=[N+]([O-])c1ccc(NCCNCc2ccc(Cl)cc2Cl)cc1 8418991 IBJGSFUHPSFWBM-UHFFFAOYSA-N 340.210 4.103 5 40 EIBB COc1ccc2oc(C)c(C(=O)Nc3ccc([N+](=O)[O-])cc3C)c2c1 41156429 SRNYHQJNPAVFJU-UHFFFAOYSA-N 340.335 4.219 5 40 EIBB S=C(Nc1ccc2nc3ccccc3nc2c1)NC1CCCCC1 6616537 FOPKROTZEMRBOQ-UHFFFAOYSA-N 336.464 4.402 5 40 EIBB CCOc1c(Cl)cc(CNc2cccc([N+](=O)[O-])c2)cc1OC 408556723 KEKYPJQESNJFAU-UHFFFAOYSA-N 336.775 4.268 5 40 EIBB O=[N+]([O-])c1ccc(Cn2ccc3cc(Br)ccc32)cc1 6970569 VJCCONKOTMGOGO-UHFFFAOYSA-N 331.169 4.360 5 40 EIBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2[nH]c3ccccc3c2c1 44781895 ZDOBOTCKLAEKCH-UHFFFAOYSA-N 345.358 4.411 5 40 EIBB Cc1cc([N+](=O)[O-])ccc1NCc1ccc(-n2ccnc2C)c(F)c1 78985178 OYMPCGNETVLKBX-UHFFFAOYSA-N 340.358 4.149 5 40 EIBB C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])N(C)c1ccccc1 95356597 LHDLOGIXORSOSD-CQSZACIVSA-N 336.395 4.080 5 40 EIBB O=[N+]([O-])c1ccc(CN2CC=C(c3nc4ccccc4o3)CC2)cc1 226251329 KJAMAQQBLOKTIL-UHFFFAOYSA-N 335.363 4.025 5 40 EIBB O=C(Cc1ccc(Cl)cc1Cl)OCc1cccc([N+](=O)[O-])c1 5559501 GUYHZSPTVZXRKK-UHFFFAOYSA-N 340.162 4.188 5 40 EIBB CCCNc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1[N+](=O)[O-] 20897676 QRWSWNUASIYKGJ-UHFFFAOYSA-N 338.367 4.442 5 40 EIBB COc1ccc([N+](=O)[O-])cc1CSc1nnc(C2CCCCC2)o1 22892271 OQWFQTCRJLGUOL-UHFFFAOYSA-N 349.412 4.326 5 40 EIBB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 222987020 ACICWFQFWJZTLO-GOSISDBHSA-N 342.395 4.316 5 40 EIBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2ccccc12 4014319 LAWHAHZEUHWODJ-UHFFFAOYSA-N 335.363 4.066 5 40 EIBB CC1(C)C[C@@](C)(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2N1 7029706 QACPROXCTFXFER-GOSISDBHSA-N 341.367 4.403 5 40 EIBB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 14258389 VWURNZREFXGHED-ZDUSSCGKSA-N 342.395 4.434 5 40 EIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2cc(Cl)ccc2o1 19179671 RHISDATXDOPLGO-UHFFFAOYSA-N 346.726 4.255 5 40 EIBB C[C@@H]1CCCCN1C(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 20160288 WCRZQRRCJVKYBP-SECBINFHSA-N 338.816 4.478 5 40 EIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)Cc1ccc(Cl)cc1 45888377 DEPOPYCAGHTKCM-UHFFFAOYSA-N 332.787 4.300 5 40 EIBB O=[N+]([O-])c1ccc(OCc2nnc(C3CC3)o2)c(-c2cccs2)c1 96428836 CVEKTBAUCXWABM-UHFFFAOYSA-N 343.364 4.163 5 40 EIBB C[N+]1(C[C@@H]2CO[C@@](c3ccccc3)(C3CCCCC3)O2)CCCCC1 3874575 AXWZZEWIGNYBGA-FGZHOGPDSA-N 344.519 4.466 5 40 EIBB in-man C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(C[N+](=O)[O-])=CC[C@@]43C)[C@H]1CC[C@@H]2O 253617099 DTXNPOBNJOPXJO-QMNUTNMBSA-N 333.472 4.203 5 40 EIBB CN(C)CC(=O)c1ccc2cc(Br)c3ccccc3c2c1 1873638 RPDLIURYFFFKMI-UHFFFAOYSA-N 342.236 4.500 5 40 EIBB COc1ccc(-c2cc3c(c(N)n2)c(=N)oc2ccc(C)cc23)cc1 9119765 PESUDGIVWGUQAF-UHFFFAOYSA-N 331.375 4.027 5 40 EIBB CC(=O)Nc1cc(N[C@@H]2CCCc3ccccc32)c(F)cc1[N+](=O)[O-] 23079583 CXIWBXFEMUMOQV-OAHLLOKOSA-N 343.358 4.182 5 40 EIBB O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])cc2)c1)c1ccco1 25571231 ZVIDLNXREZPRCE-UHFFFAOYSA-N 337.335 4.052 5 40 EIBB Cc1sc(C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1[N+](=O)[O-] 55487414 XCOCLFQLCYJCSK-OAHLLOKOSA-N 344.436 4.202 5 40 EIBB O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1Nc1cccc(Cl)c1 4980496 RPIXEHRNIXNNRI-UHFFFAOYSA-N 344.714 4.448 5 40 EIBB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc([N+](=O)[O-])c1 216467612 GNCNQKYHKQJTHW-INIZCTEOSA-N 328.368 4.008 5 40 EIBB CC(=O)Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1 2751415 HZDROUUCNHVQDK-UHFFFAOYSA-N 345.405 4.314 5 40 EIBB COc1cc2oc3cc4c(cc3c(=O)c2cc1OC)CCC(C)(C)O4 4167840 GUZLKVIOJUVWLQ-UHFFFAOYSA-N 340.375 4.067 5 40 EIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1cccs1 6602318 CQLPCPBPMPCPEO-UHFFFAOYSA-N 342.376 4.092 5 40 EIBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[N+](C)(C)Cc1ccccc1 252505324 KWSQSVIKAJJHLO-NMIHRBCNSA-N 348.551 4.101 5 40 EIBB O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)cc1Cl 485421 OHXGGTRYKKZYPJ-UHFFFAOYSA-N 329.114 4.293 5 40 EIBB O=[N+]([O-])c1ccc(-c2csc3nnc4c5ccccc5nc-4n23)cc1 383319 QDZSRCQEGQSGTC-UHFFFAOYSA-N 347.359 4.019 5 40 EIBB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cccc([N+](=O)[O-])c1 12895812 YGQFYCPNQWNXMW-INIZCTEOSA-N 330.771 4.129 5 40 EIBB CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(C)c1[N+](=O)[O-] 32498584 WFIBDVCWMQZMFO-UHFFFAOYSA-N 338.816 4.280 5 40 EIBB C[C@@H](NC(=O)N(C)Cc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 58434694 KZZSZTRVDIJOFA-GFCCVEGCSA-N 347.802 4.151 5 40 EIBB COc1ccc([C@@H](O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-] 226293453 LDGLEJPOPBNTFB-FQEVSTJZSA-N 335.359 4.352 5 40 EIBB Cc1noc(/C=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1[N+](=O)[O-] 408545535 ZMNIGUFEGMKFPZ-VURMDHGXSA-N 341.279 4.230 5 40 EIBB CC(C)(C)c1ccc(CC[C@@H]2OC[C@@H](C[N+]3(C)CCCCC3)O2)cc1 202507 DWPLDLNFZDPPMG-NHCUHLMSSA-N 346.535 4.289 5 40 EIBB Cc1nc(NCc2ccccc2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] 5360750 DPYPTNJYVHROPF-UHFFFAOYSA-N 349.394 4.073 5 40 EIBB Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C 59351119 OOLYKOPFMYKKDA-LBPRGKRZSA-N 332.787 4.356 5 40 EIBB COc1cccc(C(=O)C[C@@H](c2ccccc2)C(C)(C)[N+](=O)[O-])c1 5715068 JIOHXRCGQDGENL-KRWDZBQOSA-N 327.380 4.107 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)noc1-c1ccccc1 35671415 SJQNUSWCSRVLTM-UHFFFAOYSA-N 337.335 4.119 5 40 EIBB COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccncc1 9419990 KNNXZWFCERLETK-UHFFFAOYSA-N 340.386 4.190 5 40 EIBB CC[C@H](C)OC(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)c1ccccc12 5410969 PJZHFJDMHZBMPZ-QWHCGFSZSA-N 340.375 4.055 5 40 EIBB C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 10111786 QSDWZXGNYWBSBU-CQSZACIVSA-N 340.423 4.312 5 40 EIBB CC[C@@H](C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 32714766 UJLCRPPJEKUJDI-ACJLOTCBSA-N 342.395 4.372 5 40 EIBB Cc1cccc(-c2c[nH]c([C@@H]3CCCN3c3ccc([N+](=O)[O-])cn3)n2)c1 72313946 SBHBKOSESKRJPD-KRWDZBQOSA-N 349.394 4.030 5 40 EIBB Cc1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 7685965 BTWWHRWOIQMNJT-FQEVSTJZSA-N 346.386 4.423 5 40 EIBB Cc1ccc(SCC(=O)Nc2cccc(Cl)c2)c([N+](=O)[O-])c1 19894529 ACNIMAOLDCWUTF-UHFFFAOYSA-N 336.800 4.287 5 40 EIBB O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)c(Cl)c1 12397974 KYYIRHKHQAAGPD-UHFFFAOYSA-N 345.708 4.332 5 40 EIBB CCc1ccccc1O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 20492003 YMOJXIJFAZUKNS-LLVKDONJSA-N 348.786 4.217 5 40 EIBB O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccccc23)c2ncccc12 95348928 RVHXQZXBTAMXCX-UHFFFAOYSA-N 332.363 4.279 5 40 EIBB CCCCCC[N+](C)(C)CCOCC[N+](C)(C)CCCCCC 5418431 JXKXNYUWFVMHIK-UHFFFAOYSA-N 330.601 4.316 5 40 EIBB O=C(CSCc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 18708910 DOGTUUIPILUZRJ-UHFFFAOYSA-N 336.800 4.120 5 40 EIBB C[C@H](Sc1nc(N)c2ccsc2n1)c1cccc([N+](=O)[O-])c1 58345123 JXWZXMAEAGLPKX-QMMMGPOBSA-N 332.410 4.035 5 40 EIBB O=C(Nc1cccnc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408921072 CKZGIUWPQBOLKZ-CPNJWEJPSA-N 345.358 4.169 5 40 EIBB O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1CC1CCCCC1 409148619 YWMNXRANZMSWGB-XNTDXEJSSA-N 346.408 4.211 5 40 EIBB O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1cccc(F)c1 9086569 YMYXDRNPVPUGBR-UHFFFAOYSA-N 328.221 4.005 5 40 EIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@@H]1c1cccnc1 12563692 FUGREYLWYKYWON-CYBMUJFWSA-N 337.301 4.350 5 40 EIBB O=[N+]([O-])c1ccc([C@@H]2NN=C(c3cccc4ccccc34)S2)cc1 2919679 DKUJNYVCJHMEHC-QGZVFWFLSA-N 335.388 4.445 5 40 EIBB Cc1c(C)n(Cc2ccco2)c2nc(C)n3c4ccccc4nc3c12 6665054 MEIBXOTWIGXCML-UHFFFAOYSA-N 330.391 4.404 5 40 EIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 9141730 FZRLKXNZELOUBK-UHFFFAOYSA-N 349.730 4.026 5 40 EIBB Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 11246790 LHEQQCBFRBAFJB-UHFFFAOYSA-N 342.398 4.102 5 40 EIBB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 30853241 GCDXVRGDPDLUOX-QGZVFWFLSA-N 328.368 4.008 5 40 EIBB COc1ccc(Br)cc1-c1nc2cc([N+](=O)[O-])ccc2o1 216732153 DAMZMMZNHQULFM-UHFFFAOYSA-N 349.140 4.174 5 40 EIBB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] 1440954 JQMMIPPAZQQATC-UHFFFAOYSA-N 328.221 4.005 5 40 EIBB Cc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 3218447 KEKHCDQKSNEHNW-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB O=[N+]([O-])c1ccccc1-c1nnc(-c2ccccc2Br)o1 12137789 XCQYZERZUSIQSK-UHFFFAOYSA-N 346.140 4.074 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCSc2c(F)cccc21 12775644 MFYNJZWJJFTTEZ-CQSZACIVSA-N 347.371 4.093 5 40 EIBB O=[N+]([O-])c1ccc(NCc2ccc(Cn3cccn3)cc2)c(Cl)c1 12946453 RZMBJLBDMQMHDG-UHFFFAOYSA-N 342.786 4.105 5 40 EIBB Cc1cccc(OCCNc2nc3ccc([N+](=O)[O-])cc3s2)c1 59461239 GBVMJDBXJNRVKX-UHFFFAOYSA-N 329.381 4.004 5 40 EIBB Cc1nc(Cl)c([N+](=O)[O-])c(N(C)Cc2cccc3ccccc23)n1 4350581 BEYCHGGZAICWHX-UHFFFAOYSA-N 342.786 4.136 5 40 EIBB CC(C)(C)c1ccc(-c2nc3nonc3c3nc4ccccc4n23)cc1 4632450 HPEMZIGAUZAIJK-UHFFFAOYSA-N 343.390 4.383 5 40 EIBB CN(Cc1ccco1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 15172128 AUAYPIKXLPKTOZ-UHFFFAOYSA-N 336.347 4.055 5 40 EIBB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 20050097 MPEXJSJRFXCSEE-CQSZACIVSA-N 334.759 4.044 5 40 EIBB C[C@@H]1CCCC[C@H]1OCCNc1ccc([N+](=O)[O-])c2cccnc12 65609342 HKNNKNIBKFPDDF-CXAGYDPISA-N 329.400 4.150 5 40 EIBB CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccccc3Cl)oc12 73641952 SOZQVOUZIJYLFI-UHFFFAOYSA-N 346.726 4.233 5 40 EIBB O=C(Nc1cccnc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408926666 VUVQYEVOLBQISN-CPNJWEJPSA-N 345.358 4.169 5 40 EIBB O=C(Oc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccncc1 353833 STLUOJSIXAWSGO-UHFFFAOYSA-N 336.303 4.001 5 40 EIBB CCCOC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 16222388 XIYQGQIRTFRCLY-UHFFFAOYSA-N 338.410 4.078 5 40 EIBB O=C(c1ccco1)N(CCc1ccccc1)c1ccccc1[N+](=O)[O-] 59488888 ZUIGRSBURDYPPX-UHFFFAOYSA-N 336.347 4.077 5 40 EIBB CC[C@@H](C)Oc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OC 408543159 MTALXRGAEICXMJ-MXMFLMJRSA-N 332.356 4.248 5 40 EIBB C[C@H]1CCC[C@@H](C)N1C(=S)Sc1ccc([N+](=O)[O-])cc1C=O 13574206 PWIVUGKKWARPHR-PHIMTYICSA-N 338.454 4.047 5 40 EIBB O=[N+]([O-])c1ccc(N[C@H]2CCc3c(Cl)cccc32)c([N+](=O)[O-])c1 58407130 VSXCWKCNYIHHSK-ZDUSSCGKSA-N 333.731 4.256 5 40 EIBB Cc1ccc(OCCNc2nc3ccc([N+](=O)[O-])cc3s2)cc1 59461238 CSIWEDCKSOHYPZ-UHFFFAOYSA-N 329.381 4.004 5 40 EIBB Cc1cc([N+](=O)[O-])c2oc(=O)c(-c3nc4cc(C)c(C)cc4[nH]3)cc2c1 7344354 CKKPWTZDGSKZQB-UHFFFAOYSA-N 349.346 4.170 5 40 EIBB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 14258307 KLAYJDXAOBINIF-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB CC(C)c1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 70628 DHPVSMDXZJHILI-GZTJUZNOSA-N 336.347 4.063 5 40 EIBB CC[N+](CC)(CC)CCCOC(=O)C1(c2ccccc2)CCCC1 2304659 BOPKANDKDYEOKA-UHFFFAOYSA-N 332.508 4.308 5 40 EIBB CCCCc1nc2oc3ccccc3c(=O)c2c2nc3ccccc3n12 5207271 YDZCEIMFPOJLJG-UHFFFAOYSA-N 343.386 4.485 5 40 EIBB Cc1c(NC(=O)CCN[C@@H]2CCCC[C@H]2C(C)C)cccc1[N+](=O)[O-] 97141067 AENJKATXZTXFMM-DOTOQJQBSA-N 347.459 4.036 5 40 EIBB O=C(CSc1cccc2ccccc12)Nc1ccc([N+](=O)[O-])cc1 409180379 WSPFVPFDHHEVTC-UHFFFAOYSA-N 338.388 4.479 5 40 EIBB Cc1ccc(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])c(C)c1 5019831 BSMHOHKAJAAUCT-UHFFFAOYSA-N 334.372 4.082 5 40 EIBB O=[N+]([O-])c1ccc(NCCNCc2ccc(Cl)cc2)c(Cl)c1 16401584 QFUFYHUTXFWGAB-UHFFFAOYSA-N 340.210 4.103 5 40 EIBB O=[N+]([O-])c1ccc(NCc2ccc(Cn3ccnc3)cc2)c(Cl)c1 32855850 ANTGZBNIGMXXCV-UHFFFAOYSA-N 342.786 4.105 5 40 EIBB Cc1ccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)cc1 97165905 BUQPEGAREZKQNQ-UHFFFAOYSA-N 346.361 4.381 5 40 EIBB Cc1[nH]c2ccccc2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N 134661 SIHXQNHQMMNBOX-LJQANCHMSA-N 330.347 4.180 5 40 EIBB O=C(c1ccccc1)c1ccc(NCCc2ccco2)c([N+](=O)[O-])c1 7981900 DWLWUJBVDRNNHH-UHFFFAOYSA-N 336.347 4.073 5 40 EIBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)C)cc1 10111723 ZZNUGDDBLRETMJ-ZDUSSCGKSA-N 326.396 4.383 5 40 EIBB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc([N+](=O)[O-])o1 258519 FWDHNELMMNWRJD-UHFFFAOYSA-N 349.302 4.248 5 40 EIBB Cc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 3613341 OZJWOHJYZHFVPL-UHFFFAOYSA-N 349.184 4.226 5 40 EIBB C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccccc3)cc2[N+](=O)[O-])C1 4895929 ISJSPSLVVSOEIB-CQSZACIVSA-N 339.395 4.083 5 40 EIBB O=[N+]([O-])c1cccc(Cl)c1-n1nc(C(F)(F)F)c2c1CCCC2 12397972 HDCDPJHAEOHYTP-UHFFFAOYSA-N 345.708 4.332 5 40 EIBB Cc1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc1[N+](=O)[O-] 14258013 XXIBOSLDFJUQNL-UHFFFAOYSA-N 341.392 4.382 5 40 EIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccco1)Cc1cccs1 10446486 SOBDQKQDXBDPCW-UHFFFAOYSA-N 342.376 4.092 5 40 EIBB O=C(O)c1ccc(CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 408748997 DJQVCGGDBRPVAK-UHFFFAOYSA-N 346.389 4.195 5 40 EIBB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccccc1[N+](=O)[O-] 4712915 JASFOXHVNUFGLY-PRHODGIISA-N 329.183 4.125 5 40 EIBB O=C(O)C/C(=C/c1ccccc1[N+](=O)[O-])c1nc2ccccc2s1 8379950 PRNXNQMQDRLEFX-XFXZXTDPSA-N 340.360 4.220 5 40 EIBB C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 89904939 UEWWXIHMGLQSOE-CQSZACIVSA-N 349.390 4.213 5 40 EIBB Cc1cc(C)nc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 75281 GDVIAURTUKNFKC-UHFFFAOYSA-N 329.303 4.172 5 40 EIBB COc1ccc2c(c1)c(C[C@@H](C)[N+](=O)[O-])c(C)n2Cc1ccccc1 5552109 ADRWJAJBBRQYHQ-CQSZACIVSA-N 338.407 4.214 5 40 EIBB COc1ccc(-c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])o2)cc1 9038935 ZUJQJBWCEFTADH-CSKARUKUSA-N 326.308 4.330 5 40 EIBB O=C(CSc1nc2ccccc2c2ccccc12)NCc1ccco1 10274589 YXXRXCCZAWWHBZ-UHFFFAOYSA-N 348.427 4.390 5 40 EIBB Cc1cccc(OCCNC(=O)Sc2ccc(C)cc2[N+](=O)[O-])c1 19894538 ZYLFFNQDPOHTCA-UHFFFAOYSA-N 346.408 4.092 5 40 EIBB O=[N+]([O-])c1ccc(-n2nncc2-c2cc(Cl)ccc2Cl)cc1 32929420 LCMRFPPKNFMVRG-UHFFFAOYSA-N 335.150 4.149 5 40 EIBB COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 288676 OCXLNIWKNQVTBM-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB Cc1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)ccc1[N+](=O)[O-] 569317 MUBKXSPLNNLAJG-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB O=C(Nc1ccc(F)cc1)c1cc2c(ccc3ccccc32)oc1=O 12062409 OBEFLUSNEVTYJU-UHFFFAOYSA-N 333.318 4.338 5 40 EIBB CC[C@H](CO)Nc1nc2ccc(Br)cc2c2ccccc12 31719279 RXIKBPCNBYLLTD-GFCCVEGCSA-N 345.240 4.333 5 40 EIBB Cc1[nH]c2ccccc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N 134659 SIHXQNHQMMNBOX-IBGZPJMESA-N 330.347 4.180 5 40 EIBB O=[N+]([O-])c1ccc(-n2ncnc2-c2ccc(Cl)cc2Cl)cc1 291744 RIKQRCXFXXVVAR-UHFFFAOYSA-N 335.150 4.149 5 40 EIBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(F)cc3)o2)cc1 5324600 GRIPIWXIHHOFMR-UHFFFAOYSA-N 331.328 4.076 5 40 EIBB CC[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccccc1 20461000 CTCQCHOFTRHRFD-QGZVFWFLSA-N 344.436 4.096 5 40 EIBB O=[N+]([O-])c1cc(-c2ccccc2)ccc1Oc1ncnc2c1CCC2 609111488 JOLPIZXXXTZYKO-UHFFFAOYSA-N 333.347 4.333 5 40 EIBB O=[N+]([O-])c1ccccc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 29826071 IBDKRXAWMLXLFT-OAHLLOKOSA-N 337.379 4.116 5 40 EIBB C[C@H]1CCCC[C@H]1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 478694 HGUUWUJOHINQBP-SCLBCKFNSA-N 335.403 4.255 5 40 EIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NCc1ccccc1 6796553 WWTUUZQZRFKVHB-UHFFFAOYSA-N 335.816 4.043 5 40 EIBB C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2S1 11055838 IDEMCPALXPFAPV-GFCCVEGCSA-N 328.393 4.126 5 40 EIBB O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(F)cc1 87034953 KVJABHKWMQMXGE-SFHVURJKSA-N 342.370 4.030 5 40 EIBB O=C(NCc1cccc2ccccc12)C1(c2ccc([N+](=O)[O-])cc2)CC1 225989698 YMISVIVQUFKYOG-UHFFFAOYSA-N 346.386 4.096 5 40 EIBB COc1ccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 12954009 XWISXHKYGYUYIN-NSHDSACASA-N 348.786 4.090 5 40 EIBB O=[N+]([O-])c1ccccc1CNCCc1ccc(Cl)cc1Cl 19721102 OYFMXBOOWJWNGF-UHFFFAOYSA-N 325.195 4.234 5 40 EIBB Cc1ccc(Nc2nc(-c3ccccc3)sc(=O)c2[N+](=O)[O-])cc1 408732066 OTPNHWIENHFAPE-UHFFFAOYSA-N 339.376 4.131 5 40 EIBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nnc(-c2ccccc2O)o1 32891551 DRAWXCVJLTVYIN-SNVBAGLBSA-N 343.364 4.204 5 40 EIBB Cc1ccc(Oc2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])c2c1CCC2 33378686 HGKCAEOXQBCCPP-YFHOEESVSA-N 339.347 4.282 5 40 EIBB Cc1cccc2sc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 6947654 DQZOWNQXVAUWCS-UHFFFAOYSA-N 328.353 4.157 5 40 EIBB CC(C)c1noc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 20898135 PFCMTQYJYKLKEK-UHFFFAOYSA-N 338.367 4.380 5 40 EIBB CC(=O)c1c(C)cc(C)c(COc2ccc(C)nc2[N+](=O)[O-])c1C 27125867 UNNDXKGPGBTSCZ-UHFFFAOYSA-N 328.368 4.005 5 40 EIBB Cc1ccnc(NC(=O)c2ccc(SCC(C)C)c([N+](=O)[O-])c2)c1 32721857 OEXQXSQNZPRUOS-UHFFFAOYSA-N 345.424 4.299 5 40 EIBB CCN(Cc1cccc([N+](=O)[O-])c1)Cc1csc(C(C)(C)C)n1 48054442 ROKUVKCPOONIKF-UHFFFAOYSA-N 333.457 4.371 5 40 EIBB O=C(Nc1ccccc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 60148173 HFRPOSQSNVKQAR-UHFFFAOYSA-N 332.334 4.073 5 40 EIBB CCOc1c(Cl)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OC 301082149 UXNMTYDUGCMWDD-UHFFFAOYSA-N 336.775 4.268 5 40 EIBB O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccccc1[N+](=O)[O-] 7649245 AJXSYGWDGKNJML-UHFFFAOYSA-N 328.221 4.005 5 40 EIBB CCCOc1ccccc1[C@H](CC(C)C)Nc1c([N+](=O)[O-])ncn1C 76092863 MSTUDGIPFUWVMF-HNNXBMFYSA-N 346.431 4.316 5 40 EIBB CN(Cc1ccc2ccccc2c1)c1nc2ccccn2c1[N+](=O)[O-] 83864099 NVMHJRNAKAREDW-UHFFFAOYSA-N 332.363 4.032 5 40 EIBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N+](C)(C)Cc1ccccc1 252505323 KWSQSVIKAJJHLO-FVTFTPSCSA-N 348.551 4.101 5 40 EIBB C[C@H]1CCC[C@@H](Nc2nc3cc(C(=O)O)ccc3c3cnccc23)C1 584567151 HRYCOABRALLKFO-GXTWGEPZSA-N 335.407 4.472 5 40 EIBB Cc1nc(NCc2ccccc2)nc(Nc2ccccc2)c1[N+](=O)[O-] 12421361 OEBGYVMMRIGDOF-UHFFFAOYSA-N 335.367 4.049 5 40 EIBB COc1ccc([N+](=O)[O-])cc1NCc1c(C)cc(C)c(C(C)=O)c1C 39535348 JJNIIOPAFZBMIM-UHFFFAOYSA-N 342.395 4.343 5 40 EIBB CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2s1 3214197 NWBMKBLSXSVSJX-UHFFFAOYSA-N 345.405 4.179 5 40 EIBB Cc1cccc(C)c1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] 79382265 JXQSUUNBCXIZGU-UHFFFAOYSA-N 349.184 4.226 5 40 EIBB O=C(NCc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1Cl 222828943 PZHPGWTWEJECLU-UHFFFAOYSA-N 340.766 4.331 5 40 EIBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC 408608918 MXQUNSGCGOYCIS-UHFFFAOYSA-N 336.775 4.268 5 40 EIBB CN(C(=O)Nc1cc2cccnc2c2cccnc12)c1ccccc1 408978187 YSHUHADUQRUSAJ-UHFFFAOYSA-N 328.375 4.451 5 40 EIBB Cc1cccc(N2C(=O)S/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)c1 1198587 WPMYVQPHVDMJEJ-GDNBJRDFSA-N 340.360 4.144 5 40 EIBB O=C(Cc1ccccc1)Nc1ccc2c(=O)c3ccccc3oc2c1 6660283 ALYKPQBFMYOTMA-UHFFFAOYSA-N 329.355 4.127 5 40 EIBB CCc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc1 8337982 YSNHEBAAAAJFMK-UHFFFAOYSA-N 333.819 4.012 5 40 EIBB Cc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1 13327885 FIMYGJGPDFFBSA-GFCCVEGCSA-N 332.787 4.356 5 40 EIBB CC(C)N(C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)C(C)C 36611217 ZEQWDRHBOCQAKA-UHFFFAOYSA-N 346.383 4.026 5 40 EIBB Cc1c(NC(=O)N(C)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] 40099067 SIGHBVHIBDPPGO-UHFFFAOYSA-N 333.775 4.221 5 40 EIBB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc([N+](=O)[O-])c1C 222957555 QFRKAEAUWXPHDH-QGZVFWFLSA-N 342.395 4.316 5 40 EIBB CCc1cc([N+](=O)[O-])cc(Br)c1N1CCC(C)CC1 226315310 WORXJPHIWRQCOQ-UHFFFAOYSA-N 327.222 4.156 5 40 EIBB O=[N+]([O-])c1cc(F)c(F)cc1Sc1cc(F)c(F)cc1[N+](=O)[O-] 1595354 MBHVENYPYKOCNI-UHFFFAOYSA-N 348.233 4.211 5 40 EIBB O=C(c1ccccc1)[C@@H](c1ccccc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 1717807 AEHUBBXPVQRUNH-CTNGQTDRSA-N 347.370 4.295 5 40 EIBB O=C(Nc1ccccc1F)c1cc2c(ccc3ccccc32)oc1=O 4075830 YBFRETAORWIZEA-UHFFFAOYSA-N 333.318 4.338 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1csc(-c2cccs2)n1 12868783 NVRJYZQPYKWMDJ-UHFFFAOYSA-N 331.378 4.032 5 40 EIBB Cc1cc(N(C)Cc2ccsc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 60858442 ZLOBJAXWLHHOFW-UHFFFAOYSA-N 340.408 4.058 5 40 EIBB COc1ccc(C(=O)Cc2cc3cc4ccccc4cc3oc2=O)cc1 59474335 RIJCJUVMKOIVKO-UHFFFAOYSA-N 344.366 4.380 5 40 EIBB O=C1c2ccccc2C(=O)N1c1ccc(-c2ccccc2)cc1[N+](=O)[O-] 4071416 RQOBZPHXZAYBGI-UHFFFAOYSA-N 344.326 4.062 5 40 EIBB CCCSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC 12561601 YQPMQSBWPLTDBJ-UHFFFAOYSA-N 343.408 4.444 5 40 EIBB CN(Cc1ccc(Cl)nc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 12804250 ORWAXJYPAFZRCV-UHFFFAOYSA-N 345.708 4.298 5 40 EIBB Cc1ccc(-c2onc(C)c2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 35671927 JIYCLVSAJCAKPV-UHFFFAOYSA-N 337.335 4.119 5 40 EIBB C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c(ccc3ccccc32)oc1=O 478695 HGUUWUJOHINQBP-FZKQIMNGSA-N 335.403 4.255 5 40 EIBB CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 3507109 FBBIRJKPXVSOSA-UHFFFAOYSA-N 340.408 4.166 5 40 EIBB Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 6559802 BLQRWTDSFSVGJL-UHFFFAOYSA-N 340.379 4.122 5 40 EIBB Cc1sc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1[N+](=O)[O-] 32818736 WAZLYSMUJNEURG-UHFFFAOYSA-N 343.364 4.236 5 40 EIBB Cc1c(C(=O)Nc2ncc(-c3ccccc3)s2)cccc1[N+](=O)[O-] 47542819 DKRAJOHQWASPJD-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB CN(CCCNc1ccc([N+](=O)[O-])c2cccnc12)C1CCCCC1 58666375 FFQGQTWYXRYQQR-UHFFFAOYSA-N 342.443 4.210 5 40 EIBB O=C(NCCCOC1CCCC1)c1cc2ccccc2c2cccnc12 61255412 MLTYYYZISZHQAQ-UHFFFAOYSA-N 348.446 4.467 5 40 EIBB O=[N+]([O-])C[C@@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12 3296750 WBEZFUUESLEDAL-HNNXBMFYSA-N 345.196 4.339 5 40 EIBB Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1ccccc1Cl 4678573 HNBCNDZDWFJTEA-UHFFFAOYSA-N 342.786 4.261 5 40 EIBB Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 12579336 KWZWBBRCMOQSCW-MRXNPFEDSA-N 342.786 4.183 5 40 EIBB COc1ccc(N(C)C(=O)c2cc3ccccc3c3cccnc23)cn1 58269978 UMVJZOJLMISSOK-UHFFFAOYSA-N 343.386 4.068 5 40 EIBB C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cc2ccccc2o1 65512053 CYZASYHQTYVRCW-LLVKDONJSA-N 349.346 4.313 5 40 EIBB Cc1c(C(=O)NCCCc2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] 217878785 GMQVMGVJHOSZMO-UHFFFAOYSA-N 340.423 4.389 5 40 EIBB CCCCOC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2694918 FRJOYROYELPPOP-UHFFFAOYSA-N 337.319 4.049 5 40 EIBB Cc1cc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] 59373629 CWCOPHHYSJXSGC-QGZVFWFLSA-N 340.379 4.016 5 40 EIBB COc1cc2c(c3c1c(=O)c1cc(F)ccc1n3C)C=CC(C)(C)O2 5463544 XREKKQLYNJUFIT-UHFFFAOYSA-N 339.366 4.024 5 40 EIBB Cc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1[N+](=O)[O-] 14137461 WJNZSTDPJUCKJG-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB Cc1ccc(C(C)C)c(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 2742661 BDIBREWXUIABSR-UHFFFAOYSA-N 344.323 4.154 5 40 EIBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1c2ccccc2-c2ccccc21 4503067 CIYNRFFPCGAKLI-UHFFFAOYSA-N 330.343 4.346 5 40 EIBB Cc1cc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)ccc1[N+](=O)[O-] 6189146 RZRXWJFQCLPJSN-UHFFFAOYSA-N 342.439 4.240 5 40 EIBB Cc1nc(COc2cccnc2[N+](=O)[O-])oc1-c1ccc(Cl)cc1 89558556 HIPGKVAHOXJCDP-UHFFFAOYSA-N 345.742 4.186 5 40 EIBB CCc1ccc(CC)c(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 224037995 QKJSLKNJSSKDEA-XYOKQWHBSA-N 338.407 4.049 5 40 EIBB CCN(CC)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 568421 ILRXOGVKSHNJOX-UHFFFAOYSA-N 341.411 4.310 5 40 EIBB O=[N+]([O-])c1ccccc1NC(=S)Nc1cccc(C(F)(F)F)c1 17071363 ZFEFGRUUBHBSCP-UHFFFAOYSA-N 341.314 4.423 5 40 EIBB Cn1cnc([N+](=O)[O-])c1Oc1ccc2cc(Br)ccc2c1 6653682 VOOFIXINXZTHNX-UHFFFAOYSA-N 348.156 4.036 5 40 EIBB Cc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cccc1[N+](=O)[O-] 12914449 DFYDXXUGIWBGSE-QGZVFWFLSA-N 344.798 4.438 5 40 EIBB Cc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1[N+](=O)[O-] 14108891 KPFMZFNQFKCSDU-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB Cc1cc(C)c(C)c(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1C 16120171 ICPAWXBEOJOIKA-UHFFFAOYSA-N 344.436 4.220 5 40 EIBB CC(C)(C)c1cccc(Oc2ncc([N+](=O)[O-])c(NC3CC3)n2)c1 26692250 WDVVYCDZQQHLSM-UHFFFAOYSA-N 328.372 4.049 5 40 EIBB O=[N+]([O-])c1ccc(F)cc1OCc1csc(Cc2ccccc2)n1 31647826 UANALAVAYVUZNF-UHFFFAOYSA-N 344.367 4.360 5 40 EIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(C)c(C)c1 72228813 LUFJHPNNJQBCNZ-UHFFFAOYSA-N 342.395 4.100 5 40 EIBB O=c1c2ccccc2oc2cc(OCc3ccc(F)cc3)cc(O)c12 5443368 YPMRLXHCKOCVMH-UHFFFAOYSA-N 336.318 4.370 5 40 EIBB biogenic CC(C)CCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F 8072436 SCVCCFYCGWGPAJ-UHFFFAOYSA-N 346.358 4.411 5 40 EIBB O=[N+]([O-])c1ccc(Cl)c(NC(=S)N[C@@H]2C[C@@H]2c2ccccc2)c1 71827950 UCZNBTZWNAROJN-TZMCWYRMSA-N 347.827 4.091 5 40 EIBB Cc1ccc(Sc2c(C=O)c3cc([N+](=O)[O-])ccc3n2C)cc1 168354 BVGAWALYWQGFDQ-UHFFFAOYSA-N 326.377 4.359 5 40 EIBB CCc1ccccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4668192 WVQQBDFPOATSAN-UHFFFAOYSA-N 339.395 4.010 5 40 EIBB Cc1cc(-c2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)c2ccccc2n1 4754192 SEZADVRDZMVDIN-UHFFFAOYSA-N 346.346 4.477 5 40 EIBB CC(C)Oc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 9229377 VXKXOYDMEGTVJV-LFYBBSHMSA-N 326.352 4.034 5 40 EIBB Cc1cccc(C(=O)Nc2cccnc2Oc2ccccc2)c1[N+](=O)[O-] 36759576 OHKBCGSLTWXWBK-UHFFFAOYSA-N 349.346 4.343 5 40 EIBB Cc1cccc(C)c1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4677877 OLAUTVDFOKFZAQ-UHFFFAOYSA-N 339.395 4.064 5 40 EIBB C[N+](C)(C)CCC[N+]1(C)C[C@H]2[C@H]3CCCCC3=C3CCCC[C@H]3[C@H]2C1 4946263 WSQHOCASWIJBAV-VIQUFNKQSA-N 346.603 4.466 5 40 EIBB CCCOc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1OCC 408605622 GGYSUTLTHLUORW-UHFFFAOYSA-N 330.384 4.394 5 40 EIBB CC[C@H](C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 505698 WNIZKJPRQFXNFM-LBPRGKRZSA-N 346.358 4.265 5 40 EIBB Cc1c(C(=O)Nc2nc3ccc(Cl)cc3s2)cccc1[N+](=O)[O-] 569319 QOBUPIAXMFIMNQ-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB O=c1c2ccccc2c(=O)c2c1ccc1[nH]c3ccccc3sc12 4522781 RSCAZJBRAXOOMM-UHFFFAOYSA-N 329.380 4.409 5 40 EIBB CCc1ccc(CC)c(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 223133011 ZZIAKULPLFOOSB-UHFFFAOYSA-N 346.814 4.303 5 40 EIBB O=C(O)c1cc(-c2ccc3c(c2)OCO3)nc2ccc3ccccc3c12 92188 GOBLBVNCDNXKKH-UHFFFAOYSA-N 343.338 4.482 5 40 EIBB O=[N+]([O-])c1nc(SOCc2ccccc2)[nH]c1-c1ccccc1 1561979 NYCNQUTZFUXLHZ-UHFFFAOYSA-N 327.365 4.209 5 40 EIBB CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1F 40087565 BEVLESHNKSIIMG-UHFFFAOYSA-N 336.750 4.050 5 40 EIBB C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)CCC2 223155621 HRQZQAYMANWLHG-LLVKDONJSA-N 344.798 4.228 5 40 EIBB COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 145229 KRXLDYLHBJRMLN-IZZDOVSWSA-N 340.379 4.379 5 40 EIBB CCCCCC[C@@H](C)N(C)CCOC(=O)c1ccc([N+](=O)[O-])cc1 5973079 REOQFGWFTBDTND-OAHLLOKOSA-N 336.432 4.042 5 40 EIBB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc([N+](=O)[O-])c1 13708468 FZVKLMUJSSEQTG-ZDUSSCGKSA-N 336.347 4.154 5 40 EIBB Cc1noc(/C=C\c2ccc(-c3cccc(C(=O)O)c3)o2)c1[N+](=O)[O-] 408543638 POVIAONNHYMWLH-VURMDHGXSA-N 340.291 4.020 5 40 EIBB CC(C)(C)c1ccc(CC[C@@H]2OC[C@H](C[N+]3(C)CCCCC3)O2)cc1 202514 DWPLDLNFZDPPMG-LEWJYISDSA-N 346.535 4.289 5 40 EIBB CC(C)(C)N1C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1754571 WEZHBJDGHRBJML-MSOLQXFVSA-N 338.407 4.249 5 40 EIBB CSc1ccc(C(=O)Oc2c(C)ccc(C)c2C)cc1[N+](=O)[O-] 7007431 WBOVHUSSTHPGRP-UHFFFAOYSA-N 331.393 4.461 5 40 EIBB O=c1c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccccc12 5338569 TUOMLDTYDDDUIB-UHFFFAOYSA-N 325.371 4.079 5 40 EIBB O=[N+]([O-])c1ccc(N2CC=C(c3ccccc3)CC2)c2ccncc12 12558220 NEHCQWMCNONPBH-UHFFFAOYSA-N 331.375 4.437 5 40 EIBB Cc1cccc2sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc12 4072636 VGXXLDDMCUVNJW-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB COc1ccc2oc(C(=O)Nc3cc(C)c(C)c([N+](=O)[O-])c3)cc2c1 8335959 ISYZABJKZVABDI-UHFFFAOYSA-N 340.335 4.219 5 40 EIBB CCCC(=O)Nc1cccc(NCc2ccc([N+](=O)[O-])cc2)c1C 58442056 JWAUMVRGAVWHHT-UHFFFAOYSA-N 327.384 4.254 5 40 EIBB O=C(Nc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1ccco1 408974828 HFELDLWYWALMPH-UHFFFAOYSA-N 328.331 4.110 5 40 EIBB O=C(Sc1nc2ccccc2o1)c1ccc(Cl)c([N+](=O)[O-])c1 28294219 BMKYPFTUWUOOJH-UHFFFAOYSA-N 334.740 4.322 5 40 EIBB S=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCCC1 38198584 GSNAYZLBCDAEKA-UHFFFAOYSA-N 347.447 4.057 5 40 EIBB CCc1ccc(C(=O)Nc2cc(N(C)C)c([N+](=O)[O-])cc2Cl)cc1 72229131 DNMYHQMWZQCRBY-UHFFFAOYSA-N 347.802 4.129 5 40 EIBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OC 408557944 QVTWOTCQHXHUMD-UHFFFAOYSA-N 336.775 4.268 5 40 EIBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)c1nnc(-c2ccccc2)o1 7932753 GSZDBRZSVIIVQL-SNVBAGLBSA-N 345.742 4.438 5 40 EIBB Cc1ccc(-c2ccc(C(=O)NC3CCCCC3)o2)cc1[N+](=O)[O-] 11690008 LHCUPGDZYKTLIR-UHFFFAOYSA-N 328.368 4.226 5 40 EIBB O=[N+]([O-])c1ccc(Oc2nn3cc(-c4ccccc4)nc3s2)cc1 48300178 NSMVXYUDCGNVIZ-UHFFFAOYSA-N 338.348 4.158 5 40 EIBB C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 225990278 PCTWRYREAASMPL-GFCCVEGCSA-N 344.798 4.157 5 40 EIBB Cc1nnc(SCc2cc(=O)oc3ccc4ccccc4c23)s1 5054092 SYAKKRQRPBTWGU-UHFFFAOYSA-N 340.429 4.398 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(COc2ccccc2)o1 5353656 YOMDLACTOZVGBE-UHFFFAOYSA-N 338.319 4.019 5 40 EIBB O=[N+]([O-])c1ccc(N[C@H](c2ccc(F)cc2)c2cccs2)nc1 13016012 PREIWUAQJDEIHA-MRXNPFEDSA-N 329.356 4.392 5 40 EIBB O=[N+]([O-])c1ccc(/C=C/Sc2nc(/C=C/c3cccs3)n[nH]2)o1 14903267 YZSSYCDPHBUQJD-NNMZAIBHSA-N 346.393 4.301 5 40 EIBB O=C(O)c1ccc(/C=C(\Cl)c2nc3cc([N+](=O)[O-])ccc3o2)cc1 584907839 QHNXLSNVXUAIJT-GHXNOFRVSA-N 344.710 4.171 5 40 EIBB CCCc1cc(=O)oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc12 82732 NVAXFJUWUAZFNC-UHFFFAOYSA-N 339.347 4.233 5 40 EIBB biogenic Cc1ccc(C)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 13668355 BMTBCRZJPGGYPA-GFCCVEGCSA-N 332.787 4.356 5 40 EIBB COc1ccccc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 72229455 MSRNVLBSFRVDDD-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB Cc1ccc2c(c1)cc(-c1ccc3c([N+](=O)[O-])c(C)ccc3n1)c[n+]2C 4512738 FERKDUNGBUMSGL-UHFFFAOYSA-N 344.394 4.405 5 40 EIBB CSc1cccc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc12 5299214 BCATVODPPZSEPL-UHFFFAOYSA-N 345.405 4.179 5 40 EIBB COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 14258180 XSSKEGJRWJWBBQ-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB Cc1c(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cccc1[N+](=O)[O-] 38771345 KASAXHDFQCNWND-AWEZNQCLSA-N 342.395 4.433 5 40 EIBB O=[N+]([O-])c1ccc2c(c1)C=C1CCCC[C@]1(NCc1ccccc1)O2 55443947 UTPFNWORGGINAJ-FQEVSTJZSA-N 336.391 4.431 5 40 EIBB CC[C@@H](C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 32714763 UJLCRPPJEKUJDI-FZKQIMNGSA-N 342.395 4.372 5 40 EIBB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N+](C)(C)Cc1ccccc1 41690043 KWSQSVIKAJJHLO-WSWWRLHASA-N 348.551 4.101 5 40 EIBB Cc1c(C(=O)N[C@@H](CC(C)C)c2ccccc2)cccc1[N+](=O)[O-] 21835446 LMIVXQAMMFVNGE-KRWDZBQOSA-N 326.396 4.420 5 40 EIBB CC[C@H](C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 32714767 UJLCRPPJEKUJDI-UGSOOPFHSA-N 342.395 4.372 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccccc1)c1ccco1 67031292 IMZVGRKSUGUDJP-SFHVURJKSA-N 336.347 4.016 5 40 EIBB CCOc1cc(C=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 454129 UZFCDAHMNVGLSP-UHFFFAOYSA-N 335.743 4.038 5 40 EIBB CCc1ccc([C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)cc1 6648338 ZZDVICYIDLRIAY-SFHVURJKSA-N 341.411 4.065 5 40 EIBB O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 7780059 RZBBUSQWDLUUHI-KRWDZBQOSA-N 340.379 4.098 5 40 EIBB Cc1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccn2)cc1 8586525 GSBABINTEWFNJC-UHFFFAOYSA-N 347.374 4.145 5 40 EIBB CCSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC 12495433 PWDYZVNXVKTTAK-UHFFFAOYSA-N 329.381 4.054 5 40 EIBB COc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 276698 DMFVMGZXXRQTFN-UHFFFAOYSA-N 338.319 4.116 5 40 EIBB Cc1ccc2cc(COc3cccnc3[N+](=O)[O-])c(Cl)nc2c1C 7045187 OASOXOWFVUDIHZ-UHFFFAOYSA-N 343.770 4.387 5 40 EIBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(C)C 6417788 XEAPHKRSNWJJGU-SOFGYWHQSA-N 332.356 4.105 5 40 EIBB O=C(N[C@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1Cl 11203837 UDTMBUCFSWWKBF-MRXNPFEDSA-N 330.771 4.129 5 40 EIBB Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1[N+](=O)[O-] 12944836 OJPZJXFCLLRXPH-QGZVFWFLSA-N 344.798 4.438 5 40 EIBB CCC[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 60903886 JPNUEHXKMJGAGB-CQSZACIVSA-N 344.415 4.047 5 40 EIBB O=C(CC12CC3CC(CC(C3)C1)C2)OCc1ccc([N+](=O)[O-])cc1 6430035 VJQXIOSEVXBFSZ-UHFFFAOYSA-N 329.396 4.245 5 40 EIBB CNc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 6589050 CZPIGMBKYZIADJ-UHFFFAOYSA-N 340.166 4.196 5 40 EIBB Cc1cc2nc(N[C@H](C)c3cccc([N+](=O)[O-])c3)c3ccccc3n2n1 52452279 OSIYNJKFCUOVRE-CYBMUJFWSA-N 347.378 4.272 5 40 EIBB C[C@H]1CCCCN1c1cc(N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1C=O 408976526 RWTVGFFGMXVUHR-GJZGRUSLSA-N 345.443 4.165 5 40 EIBB C/C=C1/C[N@+]2(CCC)CC[C@]34C(=Nc5ccccc53)/C(=C/O)[C@H]1C[C@@H]42 524730571 NNGQLOSIKGOGJJ-QPVSUSLUSA-O 335.471 4.431 5 40 EIBB biogenic O=c1c2ccccc2c2cc3nc4ccccc4c(=O)n3c3cccc1c23 245755 ZQCQJALTXDGORV-UHFFFAOYSA-N 348.361 4.105 5 40 EIBB O=C(c1ccccc1)c1ccc(Nc2cccc(CO)c2)c([N+](=O)[O-])c1 7981440 SZNCRVZXNMSMBJ-UHFFFAOYSA-N 348.358 4.062 5 40 EIBB O=c1oc2c3c(ccc2c2ccccc12)OCN(Cc1ccccc1)C3 20412305 DPPWDHKFIITPLQ-UHFFFAOYSA-N 343.382 4.298 5 40 EIBB biogenic O=[N+]([O-])c1ccc(NC[C@H](O)c2ccc(Cl)cc2)c(Cl)c1 30859490 SBWSOXDLBCRIAU-AWEZNQCLSA-N 327.167 4.047 5 40 EIBB O=[N+]([O-])c1ccc(Sc2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 65947436 ZZRCGZCCAXKVIF-UHFFFAOYSA-N 343.320 4.309 5 40 EIBB Cc1cccc(N2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)c1 975303 RKWUUHMDFUIQIA-GDNBJRDFSA-N 340.360 4.144 5 40 EIBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1Cl 5717237 VMOGLYNYDCXBOS-UHFFFAOYSA-N 325.151 4.083 5 40 EIBB O=[N+]([O-])c1cccc(OCc2coc(-c3cccc(Cl)c3)n2)c1 26015131 VIEAIJPKJFULIA-UHFFFAOYSA-N 330.727 4.482 5 40 EIBB O=C(O)c1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3s2)cc1 262109 FXMOAQUQYWXZHT-UHFFFAOYSA-N 334.740 4.223 5 40 EIBB COc1cc(/C=C/c2ccc3cc(C)ccc3n2)cc([N+](=O)[O-])c1O 12528328 CFQVKGPTCAZRKA-GQCTYLIASA-N 336.347 4.336 5 40 EIBB CCOc1ccc([C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)cc1 12800435 VHXCFHNMQRYDJW-LJQANCHMSA-N 326.396 4.331 5 40 EIBB O=[N+]([O-])c1cc(C(F)(F)F)c(C(F)(F)F)cc1Br 2568791 JIJNLAOEXTXBRF-UHFFFAOYSA-N 338.001 4.395 5 40 EIBB biogenic CC(=O)Oc1cn(C2CCCC2)c2nc(C)n3c4ccccc4nc3c12 13228190 YHHGXRIMMZXJGK-UHFFFAOYSA-N 348.406 4.186 5 40 EIBB CCN(C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](C)c1cccc(O)c1 70039241 XKSNXXFTNGCVQC-CYBMUJFWSA-N 343.383 4.224 5 40 EIBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl 225578764 FKKGVKKJXWDEGN-UHFFFAOYSA-N 334.759 4.208 5 40 EIBB COc1cc2cnc3c4cc5c(cc4ccc3c2cc1OC)OCO5 1659853 LMLYRQCAWCJVML-UHFFFAOYSA-N 333.343 4.287 5 40 EIBB biogenic C[N+](C)(C)Cc1ccccc1C(O)(c1ccccc1)c1ccccc1 4974319 MHMYMRDLNKRNQN-UHFFFAOYSA-N 332.467 4.177 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1snc2ccc(Cl)cc12 5578578 CVUVVIOGJWNXPO-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)CCC2 223148963 ZYISKJGZYBAIIH-NSHDSACASA-N 344.798 4.228 5 40 EIBB CCn1c(C)nc([N+](=O)[O-])c1Sc1cccc(C(F)(F)F)c1 481361 IVPKACNUCQZKNV-UHFFFAOYSA-N 331.319 4.290 5 40 EIBB O=[N+]([O-])c1cccc2c1Sc1ccccc1[C@@]2(O)c1ccccc1 4128668 PXYBCMHFNFSGEN-IBGZPJMESA-N 335.384 4.344 5 40 EIBB Cc1cccc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])c1C 12556097 USCNLKQZXSNDTI-UHFFFAOYSA-N 327.384 4.042 5 40 EIBB COc1cccc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)oc12 19887910 OJEUQGPNJWLPDO-UHFFFAOYSA-N 346.726 4.255 5 40 EIBB CSc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] 3553870 JYKYCNSPSVXLGX-UHFFFAOYSA-N 328.393 4.058 5 40 EIBB O=[N+]([O-])c1cnc(NC(=S)Nc2ccc(Cl)cc2Cl)s1 6321090 ZDSQZXDXJMVSTO-UHFFFAOYSA-N 349.224 4.167 5 40 EIBB Cc1ccc([C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)cc1 11233863 XSEIRTXJDWZLTC-KRWDZBQOSA-N 344.798 4.438 5 40 EIBB CCSc1nnc(SCc2cccc([N+](=O)[O-])c2C)s1 40122971 QMHDXAZTZGFBKW-UHFFFAOYSA-N 327.456 4.159 5 40 EIBB Cc1ccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 243706458 PMYJVYVUBVNYMU-UHFFFAOYSA-N 348.786 4.354 5 40 EIBB CC(C)Oc1ccc(CC[C@H](C)Nc2ncccc2[N+](=O)[O-])cc1 48289779 FBXYTECKAOFGBB-AWEZNQCLSA-N 329.400 4.210 5 40 EIBB O=[N+]([O-])c1cc(Cl)ccc1NCCc1cnn(-c2ccccc2)c1 69493970 HHOOTGVXWGUAAT-UHFFFAOYSA-N 342.786 4.089 5 40 EIBB CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1C 217877355 PQONCAOXSXYPIY-QGZVFWFLSA-N 326.396 4.401 5 40 EIBB O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1Nc1ccccc1Cl 4995454 BHCNWTTXRGSIGU-UHFFFAOYSA-N 344.714 4.448 5 40 EIBB O=[N+]([O-])c1cccnc1NCc1ccc(-c2ccc3c(c2)CCO3)cc1 60875041 BLEMIPGQKIAHQE-UHFFFAOYSA-N 347.374 4.204 5 40 EIBB C[C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Br)C1 226316636 MSNNZHVBKBLHDX-QMMMGPOBSA-N 333.613 4.247 5 40 EIBB O=[N+]([O-])c1ccc2nc(Nc3nc4cc(Cl)ccc4[nH]3)sc2c1 1016252 ZJAOUBNEWQWCDJ-UHFFFAOYSA-N 345.771 4.478 5 40 EIBB O=C(NC1CCCCC1)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408975107 HOVYSOSVEDZQJL-UHFFFAOYSA-N 344.418 4.327 5 40 EIBB Cc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 11246762 WZKXKRGJPPPEFC-UHFFFAOYSA-N 342.398 4.102 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 44904408 JXPPSXTZHKCRRH-CQSZACIVSA-N 342.395 4.433 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1(c2ccccc2)CCC1 50040598 KQZIMGUPQOBQIK-UHFFFAOYSA-N 325.368 4.104 5 40 EIBB CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 223013233 JALRZVDYSCGSDI-LJQANCHMSA-N 338.407 4.355 5 40 EIBB C[C@H](CC[N+](C)(C)C)OC(=O)c1ccc([C@H](C)c2ccccc2)o1 1906522 FGPQKYITWNJHON-HZPDHXFCSA-N 330.448 4.073 5 40 EIBB biogenic O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc([N+](=O)[O-])cc1 4113813 SDFAAGHDYOZDRW-UHFFFAOYSA-N 330.343 4.418 5 40 EIBB C[C@@H](Cc1ccc(-c2ccccc2)cc1)Nc1c([N+](=O)[O-])ncn1C 84640728 UDTQJVDBMOVYEE-AWEZNQCLSA-N 336.395 4.038 5 40 EIBB O=C(CCc1ccc(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1 225370349 AQCHCYCPWMTOMD-UHFFFAOYSA-N 339.178 4.473 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(OCc2ccccc2)c1 5900522 GMDRFNCSBCOFRS-UHFFFAOYSA-N 348.358 4.426 5 40 EIBB CC1CCN(CC2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 58418548 NSQHVPAOOHZCSN-QGZVFWFLSA-N 345.487 4.100 5 40 EIBB O=C(c1ccc([N+](=O)[O-])cc1)N(CCc1ccccc1)c1ccccc1 62582608 QCAIVTBFCGIHBK-UHFFFAOYSA-N 346.386 4.484 5 40 EIBB Cc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 266753 UDEFLYGLCDRUPJ-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cccc2ccccc12 274059 BBOAZFNUDWQDSV-LDADJPATSA-N 344.326 4.093 5 40 EIBB Cc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1 13327887 FIMYGJGPDFFBSA-LBPRGKRZSA-N 332.787 4.356 5 40 EIBB CCOc1ccc(CN(C)c2ccc([N+](=O)[O-])c(OCC)c2)cc1 72307762 ZGIXZOMWWNRHAD-UHFFFAOYSA-N 330.384 4.029 5 40 EIBB CC(C)(C)OC(=O)Oc1ccc(Oc2cc(N)cc([N+](=O)[O-])c2)cc1 4930426 UCSYKWLLTRWXFW-UHFFFAOYSA-N 346.339 4.283 5 40 EIBB CC(C)CN(CC(C)C)c1c([N+](=O)[O-])c(=O)sc2ccccc12 12401424 YONXYTHZNNVIIM-UHFFFAOYSA-N 334.441 4.288 5 40 EIBB O=[N+]([O-])c1ccc(Cl)c(NC(=S)N[C@H]2C[C@@H]2c2ccccc2)c1 71827948 UCZNBTZWNAROJN-OCCSQVGLSA-N 347.827 4.091 5 40 EIBB C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])N(C)c1ccccc1 95356595 LHDLOGIXORSOSD-AWEZNQCLSA-N 336.395 4.080 5 40 EIBB O=[N+]([O-])c1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)c(F)c1 40116541 KVPQCCDJTSDFFD-UHFFFAOYSA-N 349.705 4.016 5 40 EIBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2c3c(cccc13)CC2 59497678 DVGUGXIGZBSLAS-UHFFFAOYSA-N 332.359 4.028 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(NC(C)C)c1 79073024 ACVYRJWAGIKTPR-UHFFFAOYSA-N 342.399 4.045 5 40 EIBB CCCN1C(=O)N/C(=C/c2c3ccccc3cc3ccccc23)C1=O 409231910 FUSGXTVXPZRQRD-CPNJWEJPSA-N 330.387 4.296 5 40 EIBB CCc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)cc1 5093187 YFUBKLPZCWCHCU-UHFFFAOYSA-N 338.323 4.357 5 40 EIBB O=C(c1ccccc1)c1ccc(Nc2cccc(O)c2)c([N+](=O)[O-])c1 33575833 OEVQCBFHLJHPKX-UHFFFAOYSA-N 334.331 4.275 5 40 EIBB C[C@@H](NC(=O)N(C)Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 58169371 TXHIDIACGXDWHS-GFCCVEGCSA-N 347.802 4.151 5 40 EIBB O=C(CSCc1cccc([N+](=O)[O-])c1)Nc1ccccc1Cl 408725768 HLRZQIWDCKXTNC-UHFFFAOYSA-N 336.800 4.120 5 40 EIBB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 505696 IAUBDTWVTAYECT-ZDUSSCGKSA-N 328.368 4.126 5 40 EIBB [O-][n+]1c2c([n+]([O-])c3c4ccccc4ccc31)-c1cccc3cccc-2c13 1713817 HNJNGMRVSDFONS-UHFFFAOYSA-N 336.350 4.060 5 40 EIBB O=[N+]([O-])c1ccc(CNN2[C@H]3CCCC[C@@H]3C[C@@H]3CCCC[C@H]32)cc1 19169400 XVQZTFSRIZIHRA-KJWXAFIESA-N 343.471 4.423 5 40 EIBB CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1C 44086826 FONCTWPITMWPJG-UHFFFAOYSA-N 325.393 4.478 5 40 EIBB CC[N+](C)(CC)CC[N@+](C)(CCc1ccccc1)Cc1ccccc1 247659378 RJLFBBSBIUUXKI-VWLOTQADSA-N 340.555 4.362 5 40 EIBB CCCCN1C(=O)c2c(OC)cc([N+](=O)[O-])cc2Oc2ccccc21 2503794 YPMJZBSEFSVXFF-UHFFFAOYSA-N 342.351 4.156 5 40 EIBB O=C(Nc1ccc(Cl)cc1F)c1ccc(Cl)cc1[N+](=O)[O-] 2764194 BIHQUPRVRCZQSN-UHFFFAOYSA-N 329.114 4.293 5 40 EIBB COCc1c(C(=O)Nc2cccc([N+](=O)[O-])c2C)oc2ccccc12 14185821 UAGQUJWBEPKCNP-UHFFFAOYSA-N 340.335 4.048 5 40 EIBB CCN(CC)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 129263 VMWRYROQZCINRM-UHFFFAOYSA-N 347.802 4.347 5 40 EIBB O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1F 6882618 ACNILXLZODHILV-UHFFFAOYSA-N 343.236 4.397 5 40 EIBB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 8497980 MXXROBWIIXENBN-INIZCTEOSA-N 348.786 4.353 5 40 EIBB O=[N+]([O-])c1ccc(N2CCCC2)cc1NC1C2CC3CC(C2)CC1C3 4687597 XTDGLQMZUFEUNH-UHFFFAOYSA-N 341.455 4.432 5 40 EIBB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CC2 33716297 DIHTWRYNGQXCFK-QBFSEMIESA-N 346.342 4.328 5 40 EIBB O=[N+]([O-])c1ccc2c(c1)N=C1O[C@H](c3ccccc3Cl)C(O)=C1N2 104240065 KRCZXSIJZWCLQC-OAHLLOKOSA-N 343.726 4.245 5 40 EIBB CCCc1noc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 20898013 RJAJBQNGWIDRDC-UHFFFAOYSA-N 338.367 4.209 5 40 EIBB C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCC(=O)N2 40153750 KXGBAUFOFYPQHI-SNVBAGLBSA-N 345.786 4.306 5 40 EIBB CC[C@H](Oc1ccccc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 20492330 PZKSTAPEMZTKSH-HNNXBMFYSA-N 348.786 4.353 5 40 EIBB CCN(CC)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 570404 NRJSZVRUHJXQFF-MDWZMJQESA-N 339.395 4.093 5 40 EIBB Cc1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccc1[N+](=O)[O-] 11554170 KBKJXKYREJPDKV-UHFFFAOYSA-N 347.374 4.141 5 40 EIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 14258331 NOQYBZBESOMSEW-UHFFFAOYSA-N 349.730 4.026 5 40 EIBB O=[N+]([O-])c1ccc(N2CCC(c3nc4ccccc4o3)CC2)c(F)c1 95350067 HBVVSENHIMZINO-UHFFFAOYSA-N 341.342 4.259 5 40 EIBB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 138308 KYZUYWHTPJRFDR-UHFFFAOYSA-N 329.114 4.293 5 40 EIBB Cc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1[N+](=O)[O-] 3206090 AZIQSZWSINCRSE-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB O=C(Nc1cccc2ccccc12)C1(c2ccc([N+](=O)[O-])cc2)CC1 225990869 HYMDOFQHSCJSJE-UHFFFAOYSA-N 332.359 4.418 5 40 EIBB Cc1nc(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cs1 409014746 JAKVWNSDTSJMMB-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB Cc1ccc(-c2cc(C)nc(Sc3ccc([N+](=O)[O-])cn3)n2)cc1 409390350 UUQDSDOJXUDWFF-UHFFFAOYSA-N 338.392 4.215 5 40 EIBB Cn1cnc([N+](=O)[O-])c1Sc1cc(Cl)c(Cl)cc1Cl 481404 YTJXSUAYEDRNKN-UHFFFAOYSA-N 338.603 4.440 5 40 EIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCO2 8146709 LDRHKTKPWZVQSV-UHFFFAOYSA-N 327.214 4.135 5 40 EIBB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 22519966 CWQGOGAHZRPVJU-INIZCTEOSA-N 348.786 4.353 5 40 EIBB Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 59351572 YWEKTTLLHRKFTE-LBPRGKRZSA-N 332.787 4.356 5 40 EIBB O=C(NCCCCc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 4155227 VNZRIXUISMAJPQ-UHFFFAOYSA-N 332.787 4.001 5 40 EIBB CCc1cc([N+](=O)[O-])cc(Br)c1N1CCCC[C@H]1C 226315293 UNVFCVJPZJQKMV-SNVBAGLBSA-N 327.222 4.299 5 40 EIBB CCCOc1ccc(Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 408586503 NIVMECVAPVBKSP-UHFFFAOYSA-N 334.759 4.289 5 40 EIBB O=C(Nc1ccccc1F)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 538830 PQWRLIBIOSUFSW-UHFFFAOYSA-N 326.283 4.246 5 40 EIBB CCSc1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12 4114604 XFLQCIJRZQTZMF-UHFFFAOYSA-N 326.377 4.011 5 40 EIBB O=C(O)c1cc([N+](=O)[O-])ccc1Nc1cc(Cl)ccc1Cl 21515362 XZFCJXXQLGSPSI-UHFFFAOYSA-N 327.123 4.343 5 40 EIBB CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21 23152105 LVKYDMRGVVVDLS-JXOMPUQVSA-N 336.391 4.144 5 40 EIBB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 38754620 UUYZSXJQOXRAMJ-CYBMUJFWSA-N 328.368 4.124 5 40 EIBB Cc1c(C(=O)Nc2cc(Cl)cc3cccnc23)cccc1[N+](=O)[O-] 32753992 SJZXMFAPBJHTBO-UHFFFAOYSA-N 341.754 4.357 5 40 EIBB Cc1noc(/C=C/c2c[nH]c3ccc(Br)cc23)c1[N+](=O)[O-] 408542223 IJEVQBSBKSHZTI-GORDUTHDSA-N 348.156 4.305 5 40 EIBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)c1ccccc1 25614437 OFSRIRIIKQGFRO-ZIAGYGMSSA-N 344.436 4.295 5 40 EIBB O=C(Nc1ccc(F)cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 1385553 SYWHQXQQUQGUIP-UHFFFAOYSA-N 343.339 4.110 5 40 EIBB CC(C)NC(=O)OCCN=c1c2ccccc2ccc2ccccc12 1643735 IECGKWRLGJIQFF-UHFFFAOYSA-N 334.419 4.028 5 40 EIBB Cc1ccc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 3499334 XTLDLMYILZAZOP-ZDUSSCGKSA-N 330.409 4.331 5 40 EIBB CCCCN(CCCC)CCCOC(=O)c1ccc([N+](=O)[O-])cc1 6635432 JQSZZMVAGZNIJY-UHFFFAOYSA-N 336.432 4.044 5 40 EIBB in-vitro CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21 23152107 LVKYDMRGVVVDLS-HYSAVQALSA-N 336.391 4.144 5 40 EIBB Cc1c(C(=O)Nc2cccc(OC3CCCC3)c2)cccc1[N+](=O)[O-] 32769538 DKAANPSXSMGLCZ-UHFFFAOYSA-N 340.379 4.477 5 40 EIBB Cc1ccccc1-c1noc([C@H](C)Oc2cc(F)ccc2[N+](=O)[O-])n1 72305370 ARNAHBJQEOOXNG-NSHDSACASA-N 343.314 4.232 5 40 EIBB O=C(O)/C=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 2576692 OINFIUBIQMIRLK-QPIMQUGISA-N 335.768 4.497 5 40 EIBB COc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 5880273 KDGCJRNKCWXSJT-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB O=[N+]([O-])c1ccc(Nc2ccc(N3CCCCC3)nc2)c2ccncc12 65584843 GUVYNYMQLLPHTI-UHFFFAOYSA-N 349.394 4.272 5 40 EIBB Cc1cc(CN2CCC[C@@H]2CC(=O)c2ccccc2)ccc1[N+](=O)[O-] 96011453 QKXOUNVALISEQQ-GOSISDBHSA-N 338.407 4.141 5 40 EIBB COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(F)cc1 5024747 IRORQDQXFVRPJM-UHFFFAOYSA-N 347.349 4.183 5 40 EIBB Cc1c([C@@H](C)Nc2nc3ccccn3c2[N+](=O)[O-])oc2ccccc12 95356836 AMKVAQQNMCUSEN-GFCCVEGCSA-N 336.351 4.470 5 40 EIBB CC[N+](C)(CC)CCOC(=O)c1ccccc1Oc1ccc(C)cc1 1726488 ZCUKLSHRCQKAIO-UHFFFAOYSA-N 342.459 4.431 5 40 EIBB O=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1cccs1 6660398 BNIVSWUOQPZTCS-UHFFFAOYSA-N 339.347 4.399 5 40 EIBB CC(=O)N(C(C)=O)c1ccc2ccc3ccc([N+](=O)[O-])c4ccc1c2c34 5553349 RGUJSLRBYFKYRG-UHFFFAOYSA-N 346.342 4.392 5 40 EIBB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1C 20046288 BIZXHDSPFYMFAS-MRXNPFEDSA-N 348.786 4.353 5 40 EIBB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc([N+](=O)[O-])c1 222953408 AOWYEBNASDMXRR-MRXNPFEDSA-N 328.368 4.008 5 40 EIBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1 408586732 PAGUYHPXBIWHHZ-UHFFFAOYSA-N 348.358 4.426 5 40 EIBB Cc1ccc(N2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1 2055845 GFKCLQOSJHYJPS-GDNBJRDFSA-N 340.360 4.144 5 40 EIBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2ccccc2)cc1 3515112 BFBUPUSJVBPEOR-UHFFFAOYSA-N 348.358 4.279 5 40 EIBB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 20044703 JLUQDJXODFHSME-GOSISDBHSA-N 342.395 4.316 5 40 EIBB O=[N+]([O-])c1cc2c(cc1/C=C/c1nc3ccccc3s1)OCCO2 63427909 RAKAJYIZELLHGU-AATRIKPKSA-N 340.360 4.146 5 40 EIBB O=C(Nc1cc(-c2ccccc2)on1)c1cccc(Cl)c1[N+](=O)[O-] 95964846 KBKZJGBYONWPDG-UHFFFAOYSA-N 343.726 4.156 5 40 EIBB CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[N+]2(C)CCCC2)cc1 17112801 LOEMEACAKGWBOL-LJQANCHMSA-N 348.551 4.381 5 40 EIBB CCc1cc2c(N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)ncnc2s1 83820501 ZIRIBWAGRJZTFK-LLVKDONJSA-N 342.424 4.359 5 40 EIBB CCOc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 11169474 SUOMRKWBQJRDQV-LLVKDONJSA-N 348.786 4.138 5 40 EIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccccc1Cl 14258330 UCHFDDFCROMQIU-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc([N+](=O)[O-])c1C 38753508 MJSVRGHVJKUFLJ-KRWDZBQOSA-N 342.395 4.316 5 40 EIBB Cc1ccccc1NC(=O)c1ccc2[nH]c3ccc(F)cc3c(=O)c2c1 97102850 MKUJLIWQMLBTOY-UHFFFAOYSA-N 346.361 4.381 5 40 EIBB Cc1cc2occ(CC(=O)OCc3ccc([N+](=O)[O-])cc3)c2cc1C 5628185 DLIAPLRPZCJITA-UHFFFAOYSA-N 339.347 4.244 5 40 EIBB Cc1ccc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])cc1C 12555687 ZWNFVVVTYJOYAL-UHFFFAOYSA-N 327.384 4.042 5 40 EIBB CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCc2ccccc21 23151908 RETZYQNEGWCEFM-QGZVFWFLSA-N 344.798 4.398 5 40 EIBB CC(C)c1nnc(SCc2c(F)cccc2[N+](=O)[O-])n1C1CC1 96404039 UURSLRNBQIBAPF-UHFFFAOYSA-N 336.392 4.076 5 40 EIBB Cc1cccc(-c2noc(-c3ccc(NC(C)C)c([N+](=O)[O-])c3)n2)c1 20897657 ORKDWKDOMIEGAG-UHFFFAOYSA-N 338.367 4.441 5 40 EIBB COC(=O)c1ccc(C[N+](C)(C)C[C@H]2[C@@H](C)C=C(C)C[C@H]2C)cc1 4981728 WBDRYJJPLIJBNL-QKLQHJQFSA-N 330.492 4.288 5 40 EIBB COC(=O)c1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1 5155783 REPQRAWTBPPTOZ-YRNVUSSQSA-N 334.331 4.100 5 40 EIBB O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccccc2)n[nH]1 5731530 MJHQZZOGRZBPKG-UHFFFAOYSA-N 339.354 4.398 5 40 EIBB Cc1ccc(C(C)C)c(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 16902398 QBXITIUYTXMEMW-UHFFFAOYSA-N 325.368 4.482 5 40 EIBB O=[N+]([O-])c1cccc(Br)c1OC(Cl)(Cl)Cl 95215527 USGLFMSHUASFRY-UHFFFAOYSA-N 335.368 4.064 5 40 EIBB CCc1cc(NC(=O)c2cc(C)oc2C)c2cc([N+](=O)[O-])ccc2n1 95468139 NXZVVTDMBICIQP-UHFFFAOYSA-N 339.351 4.168 5 40 EIBB Cc1nc2cc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2s1 4079349 OPJOTWOZNGUKRI-UHFFFAOYSA-N 328.353 4.157 5 40 EIBB O=[N+]([O-])c1ccc(-c2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)cc1 64874546 JYUQRYBKSVNMGK-UHFFFAOYSA-N 334.257 4.066 5 40 EIBB O=C(c1ccccc1)[C@@H](c1ccccc1)[C@H](O)c1ccc([N+](=O)[O-])cc1 1717805 AEHUBBXPVQRUNH-TZIWHRDSSA-N 347.370 4.295 5 40 EIBB COc1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)c(OC)c1 6641290 BKXZPUDUDBYCDG-RMKNXTFCSA-N 336.347 4.331 5 40 EIBB COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1cccnc1 13729472 WEUAOEUWDLNCOO-UHFFFAOYSA-N 340.386 4.190 5 40 EIBB CC(C)(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 89643036 CCHRHHPCRMHSSC-UHFFFAOYSA-N 330.359 4.427 5 40 EIBB CC[N+](C)(C)CCOC(=O)N(C1CCCCC1)C1CCCCC1 1674999 IZZKSIIAPYPECL-UHFFFAOYSA-N 325.517 4.187 5 40 EIBB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 5110052 UYYKHTPXBMUUSG-UHFFFAOYSA-N 326.135 4.259 5 40 EIBB O=C(O)C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 5832334 GVJXVSGDCZEKGS-XYOKQWHBSA-N 340.360 4.220 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1cccc(Cl)c1 40095708 VDLMAKVNDRRJJY-UHFFFAOYSA-N 333.775 4.221 5 40 EIBB CC[C@H](SC)C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 89941916 LWWGNJCFGJWVLD-INIZCTEOSA-N 342.416 4.131 5 40 EIBB CCCCC[C@@H](C)NC(C)(C)COC(=O)c1cccc([N+](=O)[O-])c1 2048009 VMWNXXADTRFVNE-CQSZACIVSA-N 336.432 4.089 5 40 EIBB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(C[N+](=O)[O-])=CC[C@@]43C)[C@@H]1CCC2=O 3849797 ZINUHMYIMBDCGQ-UDCWSGSHSA-N 331.456 4.411 5 40 EIBB Cc1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 7685958 BTWWHRWOIQMNJT-HXUWFJFHSA-N 346.386 4.423 5 40 EIBB COc1ccc2oc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c(C)c2c1 7737433 DULMRTDGTKDKDU-UHFFFAOYSA-N 341.319 4.015 5 40 EIBB Cc1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1C 792754 RDGWVQJJIGFSQI-UHFFFAOYSA-N 346.342 4.165 5 40 EIBB O=[N+]([O-])/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 33530819 WLGQHHZEPWDHFZ-BQYQJAHWSA-N 334.715 4.075 5 40 EIBB Cc1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1Cl 3530389 IPHQSGFMLHJLBT-UHFFFAOYSA-N 335.743 4.002 5 40 EIBB COP(=O)(OC)[C@H](Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 4817182 DRMKQTHRBPDLFD-HNNXBMFYSA-N 336.284 4.191 5 40 EIBB Cc1ccccc1CSCC(=O)Nc1cc([N+](=O)[O-])ccc1C 5368040 BPAAPRSSPAKADM-UHFFFAOYSA-N 330.409 4.084 5 40 EIBB COc1cccc(NC(=O)c2cccc3nc4ccccc4nc23)c1 12277017 IJSFKBSDGVIMHB-UHFFFAOYSA-N 329.359 4.044 5 40 EIBB O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)c1ccccc1[N+](=O)[O-] 40117315 OXYJVVUXKNXEPO-GOSISDBHSA-N 342.370 4.395 5 40 EIBB CC(C)OC(=O)c1cc(Cl)c(N2CCCC[C@H]2C)c([N+](=O)[O-])c1 70462585 HKNVMIRBFJQREZ-LLVKDONJSA-N 340.807 4.192 5 40 EIBB O=C(COc1ccc(-c2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 116642 RCLROZUZDZGDJM-UHFFFAOYSA-N 348.358 4.279 5 40 EIBB CCCCC[C@H](C)NC(C)(C)COC(=O)c1cccc([N+](=O)[O-])c1 1672768 VMWNXXADTRFVNE-AWEZNQCLSA-N 336.432 4.089 5 40 EIBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc(F)cc1)N2 6970878 UIBFPNWLLJVKDU-FHLIZLRMSA-N 328.343 4.368 5 40 EIBB O=[N+]([O-])c1ccccc1NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 12359763 BAMBRAKLPMTTIS-AYHJJNSGSA-N 337.423 4.202 5 40 EIBB Cc1cccc(C(=O)N2CCCc3cc(Cl)ccc32)c1[N+](=O)[O-] 31925752 NXRSTLZZTZGKCQ-UHFFFAOYSA-N 330.771 4.150 5 40 EIBB CN(C(=O)c1sccc1SC(F)F)c1ccc([N+](=O)[O-])cc1 107104818 VFVYUCYMESHRES-UHFFFAOYSA-N 344.364 4.248 5 40 EIBB Cc1cc(C(=O)NCCCc2ccc(C(C)C)cc2)ccc1[N+](=O)[O-] 218134340 UZGQCEWBTGJJNP-UHFFFAOYSA-N 340.423 4.389 5 40 EIBB C[C@H]1CCc2cc(F)ccc2N1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 483359 YKZXZEJENXSBAV-PPOCWRSBSA-N 340.354 4.115 5 40 EIBB O=C(COc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl 7342095 LBNWQAAAIRDFPM-UHFFFAOYSA-N 326.135 4.163 5 40 EIBB Cc1cccc(C(=O)Nc2ncc(-c3ccccc3)s2)c1[N+](=O)[O-] 48344740 JMGBOZCOADQJLH-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB CCc1cc2c(N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)ncnc2s1 83820499 ZIRIBWAGRJZTFK-NSHDSACASA-N 342.424 4.359 5 40 EIBB Cc1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)c(C)c1 792759 HEICNDBHIQNLGE-UHFFFAOYSA-N 346.342 4.165 5 40 EIBB O=[N+]([O-])c1cccc(NN/C=C/c2ccc(Br)s2)c1 9972245 DNXVBTNPKWITRD-VOTSOKGWSA-N 340.202 4.006 5 40 EIBB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(C[N+](=O)[O-])=CC[C@@]43C)[C@H]1CCC2=O 13408549 ZINUHMYIMBDCGQ-VEXWFWOFSA-N 331.456 4.411 5 40 EIBB CCOC(=O)c1c(C)oc2ccc(Oc3ncccc3[N+](=O)[O-])cc12 26706264 GTCQRYWBQNRWJS-UHFFFAOYSA-N 342.307 4.013 5 40 EIBB O=[N+]([O-])c1ccc(Oc2cccn3cc(-c4ccccc4)nc23)nc1 480310 ABQPMJONKGKEHL-UHFFFAOYSA-N 332.319 4.097 5 40 EIBB CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 1695800 PWCXWDPSVFFWBV-UHFFFAOYSA-N 340.257 4.364 5 40 EIBB COC(=O)c1sccc1Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 3128264 JRFBBPAGMJVZKN-UHFFFAOYSA-N 347.270 4.254 5 40 EIBB C[N+](C)(C)CCC[N+]1(C)C[C@H]2[C@@H]3CCCCC3=C3CCCC[C@@H]3[C@@H]2C1 4946264 WSQHOCASWIJBAV-HDYUOTOZSA-N 346.603 4.466 5 40 EIBB O=C(CN(c1ccccc1)c1ccccn1)c1cccc([N+](=O)[O-])c1 8436128 FIXZDHWCYFMARG-UHFFFAOYSA-N 333.347 4.011 5 40 EIBB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc([N+](=O)[O-])c1C 20494873 UQEZPLQAXAALBB-QGZVFWFLSA-N 342.395 4.316 5 40 EIBB C[C@H]1CCCC[C@@H]1OCCNc1ccc([N+](=O)[O-])c2cccnc12 65609340 HKNNKNIBKFPDDF-GUYCJALGSA-N 329.400 4.150 5 40 EIBB CCc1ccc(O[C@H](CC)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 222885401 QENPSAYZJJOTNI-GOSISDBHSA-N 342.395 4.262 5 40 EIBB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 2657278 YNHQYYWKJCGMRU-UHFFFAOYSA-N 328.368 4.153 5 40 EIBB C[C@@H]1CC[C@](C)(C(=O)CCOC(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C 3846195 CWZKOCPDFRUOKH-BFUOFWGJSA-N 347.411 4.173 5 40 EIBB biogenic CN(C)CCCSc1c2ccccc2nc2cccc([N+](=O)[O-])c12 5549521 DDLHGBGXYVQLER-UHFFFAOYSA-N 341.436 4.340 5 40 EIBB Cc1cc(C)cc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1 14258315 COYLHKJULBAVIJ-UHFFFAOYSA-N 348.786 4.191 5 40 EIBB O=C(Cc1ccc(Cl)cc1F)Nc1cc([N+](=O)[O-])ccc1Cl 224707247 VUJYQZXGMRWSMP-UHFFFAOYSA-N 343.141 4.222 5 40 EIBB O=C(OCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 5109922 LIFWPXKXXAYIFZ-UHFFFAOYSA-N 340.360 4.075 5 40 EIBB O=C(Sc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1 6188172 KXSDEXHJNMFTLB-UHFFFAOYSA-N 333.756 4.057 5 40 EIBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 9750805 IQJLDIKFAKJWNZ-UHFFFAOYSA-N 325.246 4.258 5 40 EIBB Cc1c(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-] 32754291 ODEZPFIDRBRKNA-CYBMUJFWSA-N 338.363 4.483 5 40 EIBB Cc1ccc2nc(Nc3nc4ccc([N+](=O)[O-])cc4s3)[nH]c2c1 1016251 CUAJEILYTHPOKC-UHFFFAOYSA-N 325.353 4.133 5 40 EIBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(-c2ccccc2)cc1 3087213 CIUHKPXHDFFXCR-UHFFFAOYSA-N 344.326 4.062 5 40 EIBB O=[N+]([O-])c1ccc(N2CCCCC2)cc1NCCOc1ccccc1 4551633 XIIOWPZJOSVGIM-UHFFFAOYSA-N 341.411 4.076 5 40 EIBB Fc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1cccnc1 9419704 QAUKBDKWYRSGCI-UHFFFAOYSA-N 328.350 4.320 5 40 EIBB COc1ccc(SCCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 10218019 SKDRBPWGCMFOOD-UHFFFAOYSA-N 346.408 4.114 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2Cl)on1 40086803 VFHCQZPFQRGSSI-UHFFFAOYSA-N 343.726 4.156 5 40 EIBB O=C(Nc1ccccc1[N+](=O)[O-])C1[C@H]2CCC[C@H]1C2c1ccccc1 100547416 WCCLSRPUKLQPQP-GKVPXEHWSA-N 336.391 4.363 5 40 EIBB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 253600 ASKNXFKXBLWAGK-LBPRGKRZSA-N 348.786 4.271 5 40 EIBB CSc1cccc2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc12 5299258 DNEWVSDKGHITEC-UHFFFAOYSA-N 345.405 4.179 5 40 EIBB CC(=O)Nc1ccc(OCc2c(C)cc(C)cc2C)cc1[N+](=O)[O-] 5361502 NUKBENSPNOJUCI-UHFFFAOYSA-N 328.368 4.057 5 40 EIBB Cc1nn2c(-c3ccc([N+](=O)[O-])cc3)ccnc2c1-c1ccccc1 6662766 XAUYOWSJYUUCOD-UHFFFAOYSA-N 330.347 4.280 5 40 EIBB Cc1nc2cc(Cl)ccc2cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 32796882 HOUIPJTWAHTZOK-UHFFFAOYSA-N 341.754 4.357 5 40 EIBB O=[N+]([O-])c1cccc(-c2n[nH]c(COc3ccc4ccccc4c3)n2)c1 40169577 DETOLTUNWNKNPQ-UHFFFAOYSA-N 346.346 4.112 5 40 EIBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(F)cc1 4070013 OULKMNQEGGCUJN-UHFFFAOYSA-N 343.339 4.110 5 40 EIBB C[C@H]1CCCCN1c1c(Cl)cc(Br)cc1[N+](=O)[O-] 45958980 CYPNKJFRXVBHPA-QMMMGPOBSA-N 333.613 4.390 5 40 EIBB Cc1ccc(C)c2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc12 4330831 ZFMUUUAICKVAHY-UHFFFAOYSA-N 327.365 4.074 5 40 EIBB O=C(NC1CCCCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCC1 68814769 DCTYSKWUJVYFBT-UHFFFAOYSA-N 345.443 4.038 5 40 EIBB CCCCOC(=O)c1cc(Cl)c(N2CCCCC2)c([N+](=O)[O-])c1 70462191 ORVZSRKVUHFLOU-UHFFFAOYSA-N 340.807 4.195 5 40 EIBB CCCOc1ccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc1 72228717 MEPWJFKYVJOULC-UHFFFAOYSA-N 328.368 4.253 5 40 EIBB Cc1ccc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2n1 297324 JIORIYHPPGQDNA-UHFFFAOYSA-N 342.738 4.324 5 40 EIBB O=[N+]([O-])c1cccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 1711050 GIHLHEWTTLZYLP-UHFFFAOYSA-N 328.202 4.314 5 40 EIBB O=C(CSc1ccc2ccccc2c1)Nc1cccc([N+](=O)[O-])c1 3232053 KCQIJVQWVVOORL-UHFFFAOYSA-N 338.388 4.479 5 40 EIBB Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1Cl 6152733 BRFDUSAPGNRVNA-UHFFFAOYSA-N 345.786 4.383 5 40 EIBB CC(=O)c1c[nH]c(C(=O)OCc2nc3ccccc3c3ccccc23)c1 18610732 HWOWYIMDZFQYIP-UHFFFAOYSA-N 344.370 4.276 5 40 EIBB O=C(O)c1ccc2c(c1)nc(NCc1ccccc1)c1ccncc12 66112500 QWIQBQDSYRRBAO-UHFFFAOYSA-N 329.359 4.093 5 40 EIBB O=[N+]([O-])c1ccc(-c2nccc3c2[nH]c2ccc([N+](=O)[O-])cc23)cc1 96316107 XOYUGSRNKGWGHA-UHFFFAOYSA-N 334.291 4.200 5 40 EIBB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1C 222987359 WEFPPAKEEBPLSN-SFHVURJKSA-N 342.395 4.316 5 40 EIBB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] 4531903 UTZCIAJCQOAVLS-AWEZNQCLSA-N 339.395 4.427 5 40 EIBB O=C(Nc1cccnc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4733284 ADCUNJKNDAFEBT-UHFFFAOYSA-N 343.726 4.156 5 40 EIBB Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 12766940 JRIPZJAURWJQBT-LLVKDONJSA-N 334.372 4.162 5 40 EIBB C[C@@H]1CCC[C@@H](C)N1C(=S)Sc1ccc([N+](=O)[O-])cc1C=O 13574199 PWIVUGKKWARPHR-GHMZBOCLSA-N 338.454 4.047 5 40 EIBB COC(=O)c1ccc(C[N+](C)(C)C[C@@H]2[C@@H](C)C=C(C)C[C@H]2C)cc1 13644378 WBDRYJJPLIJBNL-SQGPQFPESA-N 330.492 4.288 5 40 EIBB O=[N+]([O-])c1ccc(NCc2cc(-c3ccccc3)no2)c2ccncc12 45802215 BWDVBSIJADGUDL-UHFFFAOYSA-N 346.346 4.410 5 40 EIBB S=C(Nc1cc2cccnc2c2ncccc12)N1CCCCCC1 408976775 TUZAJLYICXPEBE-UHFFFAOYSA-N 336.464 4.356 5 40 EIBB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1 4923477 YANSFGIHDABDAT-UHFFFAOYSA-N 341.245 4.137 5 40 EIBB Cc1ccc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 11400489 YKCZDPCRSJVLCF-UHFFFAOYSA-N 336.800 4.287 5 40 EIBB Cc1ccc([N+](=O)[O-])c(OCc2ccc(OC[C@@H]3CCCO3)cc2)c1 89623897 SOYUFXIAZCJBJS-KRWDZBQOSA-N 343.379 4.040 5 40 EIBB N=c1oc2ccc3ccccc3c2cc1C(=O)NCCc1ccccc1 17071520 WVILYNCDAWISKY-UHFFFAOYSA-N 342.398 4.038 5 40 EIBB Cc1ccc(-c2nc(C)c(C(=O)Nc3cccc([N+](=O)[O-])c3)s2)o1 31546607 XFJKNZRSJIVGSY-UHFFFAOYSA-N 343.364 4.180 5 40 EIBB O=[N+]([O-])c1c(NCCc2c[nH]c3ccccc23)ccc2ncccc12 58357042 ZVMBKODAKWWVOF-UHFFFAOYSA-N 332.363 4.279 5 40 EIBB COP(=O)(OC)[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 4733721 LYEWFFIVWWQBIQ-HNNXBMFYSA-N 336.284 4.191 5 40 EIBB CC(=O)N1c2ccc([N+](=O)[O-])cc2[C@@](C)(c2ccccc2)CC1(C)C 4893683 BXZSFWCHYQIWMF-HXUWFJFHSA-N 338.407 4.436 5 40 EIBB COc1ccc2oc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c(C)c2c1 7949548 CTPANIPUNPWHPA-UHFFFAOYSA-N 344.298 4.049 5 40 EIBB CCOc1ccc(NC(=O)c2cccc3nc4ccccc4nc23)cc1 5257499 NJSVFZOHMMPPSX-UHFFFAOYSA-N 343.386 4.434 5 40 EIBB [O-][n+]1c([C@@H]2C[C@H]3C=C[C@H]2C3)n(O)c2c3ccccc3c3ccccc3c21 100981356 LXHXARXFUVGXSI-CKFHNAJUSA-N 342.398 4.498 5 40 EIBB COc1ccccc1C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 146396 LAUAELNVWHVOQU-UHFFFAOYSA-N 346.338 4.174 5 40 EIBB Cc1ccc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2c1C 6478561 LORDEEHREBVFLT-UHFFFAOYSA-N 327.365 4.074 5 40 EIBB O=C(O)c1ccc(CSc2nc3ccccc3s2)c([N+](=O)[O-])c1 8382114 OZSQDKHHPGYFDI-UHFFFAOYSA-N 346.389 4.195 5 40 EIBB Cc1ccc(SCC(=O)Nc2ccccc2Cl)c([N+](=O)[O-])c1 19894530 VNEQCCJHXWKBNE-UHFFFAOYSA-N 336.800 4.287 5 40 EIBB Cc1cccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C 20461611 FHUURZDUTTZIIK-GFCCVEGCSA-N 348.786 4.271 5 40 EIBB Cc1ccc(C(=O)NCc2cc3cc(F)ccc3s2)cc1[N+](=O)[O-] 40135175 CCEIIVDZCWILJK-UHFFFAOYSA-N 344.367 4.187 5 40 EIBB CC(C)(C)c1ccc(CC[C@H]2OC[C@@H](C[N+]3(C)CCCCC3)O2)cc1 202505 DWPLDLNFZDPPMG-RTWAWAEBSA-N 346.535 4.289 5 40 EIBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(F)c1 6863121 OSMGCBRRCKMUKG-UHFFFAOYSA-N 343.339 4.110 5 40 EIBB O=c1c2c(-c3ccc(F)cc3)csc2nc2c3ccccc3cnn12 1465323 DSYFOVRIKSECDI-UHFFFAOYSA-N 347.374 4.264 5 40 EIBB Cc1cc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2cc1C 4586144 HCNMLXXTQUHFLZ-UHFFFAOYSA-N 327.365 4.074 5 40 EIBB COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c([N+](=O)[O-])c1 8207747 PIKXZMYWRHVFPX-UHFFFAOYSA-N 340.379 4.054 5 40 EIBB Cc1cc(-c2nc(N3CCCCC3)sc2C)c(O)c([N+](=O)[O-])c1 35188756 YFLNQIMICNJVDG-UHFFFAOYSA-N 333.413 4.031 5 40 EIBB CCN(C)Cc1cccc(CNc2ccc([N+](=O)[O-])cc2Cl)c1 48313227 MGAOIFVOFTUKPF-UHFFFAOYSA-N 333.819 4.312 5 40 EIBB Cc1[nH]c2ccccc2c1[C@H](C[N+](=O)[O-])c1ccc(OC(F)F)cc1 287563 DNBVEMSUYZIPKS-OAHLLOKOSA-N 346.333 4.486 5 40 EIBB Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] 304714 NKIJNFMSYDSAJK-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB in-vivo Cc1ccc(-c2csc(NC(=O)c3cccc(C)c3[N+](=O)[O-])n2)o1 8753783 PTVYFFNLPMAKTB-UHFFFAOYSA-N 343.364 4.180 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1nc(-c2ccco2)sc1C 22989876 DOGOIKZSFGNXDI-UHFFFAOYSA-N 343.364 4.180 5 40 EIBB CCSc1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 44879998 FIYZYZRKICZUGY-FMIVXFBMSA-N 328.393 4.359 5 40 EIBB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1C 44900200 MSGNWLCCEKZORC-HNNXBMFYSA-N 348.786 4.353 5 40 EIBB CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(Cl)cc3)oc12 73641908 LAPKSKKNTBFORV-UHFFFAOYSA-N 346.726 4.233 5 40 EIBB COc1cc(-c2cc3ccccc3cc2[N+](=O)[O-])cc(OC)c1OC 169800183 RIYAUWSWZIVBGC-UHFFFAOYSA-N 339.347 4.441 5 40 EIBB Cc1cccc2sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc12 175116 FRILBKDFGDJDAE-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB O=[N+]([O-])c1cccc2c(-c3nccc4c([N+](=O)[O-])cccc34)nccc12 1577886 JSKLEKQORYTYTM-UHFFFAOYSA-N 346.302 4.266 5 40 EIBB COc1cccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)c1OC 5155766 KOPWPVRQDWJCQD-ZRDIBKRKSA-N 336.347 4.331 5 40 EIBB Cc1cccc(C(=O)Nc2ccc(Oc3ncccc3[N+](=O)[O-])cc2)c1 7186331 NXZWASXCZBMDKE-UHFFFAOYSA-N 349.346 4.343 5 40 EIBB C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)CCC2 223148903 ZYISKJGZYBAIIH-LLVKDONJSA-N 344.798 4.228 5 40 EIBB C[C@@H]1C[C@@H](C)CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 4063438 DPRAFSUVXUZUOC-RKDXNWHRSA-N 347.293 4.004 5 40 EIBB S=C(Nc1cc2cccnc2c2cccnc12)NC1CCCCC1 6269367 DWFBNBCUDYKUOF-UHFFFAOYSA-N 336.464 4.402 5 40 EIBB Cc1cccc(OCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 59475458 PWZJSSVRRLVHTG-UHFFFAOYSA-N 340.301 4.413 5 40 EIBB O=C(O)/C=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 160627 SMDXKQQBZBHRFO-KRXBUXKQSA-N 335.768 4.497 5 40 EIBB CCc1cc2c(SCc3ccc([N+](=O)[O-])cc3)ncnc2s1 9365713 DMQCGZUNNLDGDN-UHFFFAOYSA-N 331.422 4.454 5 40 EIBB COc1ccc2c(c1[N+](=O)[O-])CC[C@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 40533555 QDFCXLJPTBSDPF-CFLYGVGMSA-N 329.396 4.029 5 40 EIBB O=[N+]([O-])c1ccc(Cl)cc1NCCOc1ccc(Cl)cc1 4677323 DNWQWLXTVMUDCH-UHFFFAOYSA-N 327.167 4.393 5 40 EIBB CCCCCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 9235258 WGUXDVPGWSIIRB-UHFFFAOYSA-N 328.368 4.416 5 40 EIBB Cc1c(CN2CCC(n3c(C)ccc3C)CC2)cccc1[N+](=O)[O-] 58412878 HTKLTIBNMPOYDW-UHFFFAOYSA-N 327.428 4.159 5 40 EIBB COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 4696450 JIVHGZWHXROQGE-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB Cc1cccc(NC(=O)c2ccc(SCC(C)C)c([N+](=O)[O-])c2)n1 32721922 DOCMQPUHVXHEHO-UHFFFAOYSA-N 345.424 4.299 5 40 EIBB Brc1ccc2nc3ccc(Br)cc3nc2c1 72206775 ABVGUWJHWXBGEH-UHFFFAOYSA-N 338.002 4.308 5 40 EIBB CC(C)c1ccc(/C=C/c2nccc(-c3cnn(C)c3)n2)cc1[N+](=O)[O-] 93902822 MVEMRXFRJWAXJU-FNORWQNLSA-N 349.394 4.079 5 40 EIBB CCN(CC)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 568422 OUGSFXMNAPQYGB-UHFFFAOYSA-N 327.384 4.002 5 40 EIBB Cc1nn([C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)c(C)c1[N+](=O)[O-] 2625944 LANHIEPGJDZVTO-ZDUSSCGKSA-N 329.400 4.150 5 40 EIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(C)cc1C 72228810 HGPWMMQDTNNGMG-UHFFFAOYSA-N 342.395 4.100 5 40 EIBB C[C@@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1cccc([N+](=O)[O-])c1 86368634 NJYFZZKZPAOUCR-CHWSQXEVSA-N 343.383 4.184 5 40 EIBB COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 5358332 HUZNOPPWVQIPEC-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB O=C(Nc1cccc2ccccc12)n1ncc2cc([N+](=O)[O-])ccc21 19074544 VGXKAMRGNLAFKX-UHFFFAOYSA-N 332.319 4.178 5 40 EIBB O=C(Nc1ccccc1S)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33654325 YBVNHXKVHVSZGH-UHFFFAOYSA-N 340.360 4.396 5 40 EIBB C[C@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 84636429 LTHKRPRYEKQECC-VIFPVBQESA-N 335.743 4.464 5 40 EIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCC[C@H]1c1cn[nH]c1 89768313 DFTCSQCIUKGFEN-LBPRGKRZSA-N 340.305 4.068 5 40 EIBB Cc1cccc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc12 1516567 IBUOLCIWYBGWAI-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB O=C(c1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1 3268829 LJWHLVPOKFCTTA-UHFFFAOYSA-N 346.136 4.335 5 40 EIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(OCC(C)C)c1 4544120 FMDRAZPWJXFOKS-UHFFFAOYSA-N 328.368 4.190 5 40 EIBB Cc1nn2c(=O)c3c(-c4cccs4)csc3nc2c2ccccc12 16756615 GUXNNQLLCIBCDJ-UHFFFAOYSA-N 349.440 4.494 5 40 EIBB O=C(/C=C/c1ccccc1)Nc1cccc2nc3ccccc3nc12 4815173 XNRMKWKKQJYTKC-BUHFOSPRSA-N 325.371 4.435 5 40 EIBB CSc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 12038903 OINKHKVCXCIDNK-LLVKDONJSA-N 348.449 4.436 5 40 EIBB Cc1ccc(C(=O)O)cc1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8413073 JPYKWLYWUKLCOL-UHFFFAOYSA-N 340.257 4.364 5 40 EIBB CCn1cc(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cn1 40139239 DYCWRIJLNASGRK-UHFFFAOYSA-N 334.685 4.227 5 40 EIBB O=C(O[C@H]1C[C@]23CC=CC[C@@]12CCCC3)c1ccc([N+](=O)[O-])cc1 45027839 GHVXUURYWQXWHI-QXAKKESOSA-N 327.380 4.421 5 40 EIBB O=[N+]([O-])c1ccc2oc(SCCCOc3ccccc3)nc2c1 32754558 OAEDLHDKDLFDBT-UHFFFAOYSA-N 330.365 4.297 5 40 EIBB Cc1cc(N2CCCCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 60858199 VUQSZQJPJKDKQZ-UHFFFAOYSA-N 326.400 4.131 5 40 EIBB Cc1cc(-c2nc3ccc([N+](=O)[O-])cc3o2)ccc1Br 216735161 GRWSGFPWHAKVHR-UHFFFAOYSA-N 333.141 4.474 5 40 EIBB CN(C(=O)Nc1cc2ncccc2c2cccnc12)c1ccccc1 408975507 MJDMOCKJDVNGKI-UHFFFAOYSA-N 328.375 4.451 5 40 EIBB Cc1c(NC(=O)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 485423 YUMZOUCSRVOQEL-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB CSc1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 6831520 WLUDCDXWXSWUAR-UHFFFAOYSA-N 343.408 4.143 5 40 EIBB C[C@@H](Sc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3510950 PJJQPWQJWRXRKE-SNVBAGLBSA-N 336.800 4.368 5 40 EIBB CC(C)C(=O)Nc1cc(N2CCCC[C@H]2C)c([N+](=O)[O-])cc1Cl 45891874 WPOWZFIBFWERTR-LLVKDONJSA-N 339.823 4.222 5 40 EIBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCC2 223155484 MCAQDEZHAROPIF-LLVKDONJSA-N 344.798 4.228 5 40 EIBB CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(C)c1 225753400 WZZBPOUEVSZVGK-INIZCTEOSA-N 342.395 4.101 5 40 EIBB Cc1cc(C)c2nc(NC(=O)c3cccc([N+](=O)[O-])c3C)sc2c1 570483 ZPYUSBIHRZOIMB-UHFFFAOYSA-N 341.392 4.382 5 40 EIBB COc1ccc(C)cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 7475143 JYAXBGQZQTUPEY-UHFFFAOYSA-N 342.376 4.379 5 40 EIBB CC(C)Oc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 9356006 ZEOYIPNPPWKOQQ-UHFFFAOYSA-N 334.759 4.288 5 40 EIBB CC(=O)c1ccc(Sc2nc3ccccc3nc2C)c([N+](=O)[O-])c1 12249789 LHTSYSGPCPNFKL-UHFFFAOYSA-N 339.376 4.200 5 40 EIBB CC(=O)c1ccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 12516965 VCGLYYJADSNVAE-NEPJUHHUSA-N 330.306 4.330 5 40 EIBB O=[N+]([O-])c1ccc(NCc2cnn(-c3ccccc3)c2)c(Cl)c1 9112191 ZFBHYMCDBWNGDD-UHFFFAOYSA-N 328.759 4.046 5 40 EIBB O=C(c1ccccc1[N+](=O)[O-])N1CCC(CCc2ccccc2)CC1 12889846 DEFMWWKZPORXTA-UHFFFAOYSA-N 338.407 4.080 5 40 EIBB O=C(NCc1ccc(Cl)nc1)c1cc2ccccc2c2cccnc12 78978852 KCZMHFZIFUTHIV-UHFFFAOYSA-N 347.805 4.366 5 40 EIBB Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 191171 BVDDPZWMLOYMCY-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)cc1 7037319 WCULTFHGSFLFDU-MRXNPFEDSA-N 348.786 4.138 5 40 EIBB O=C(CC12CC3CC(CC(C3)C1)C2)N1CCc2ccc([N+](=O)[O-])cc21 13006701 PLTFWHGUOOWVMZ-UHFFFAOYSA-N 340.423 4.090 5 40 EIBB CC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)cc1 25512866 GLFFFSSBMTUTOE-OAHLLOKOSA-N 348.786 4.138 5 40 EIBB Cc1ccc(NC(=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 63892159 NLPBDGJGOYUGOX-UHFFFAOYSA-N 340.379 4.022 5 40 EIBB CC(C)Oc1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 371527 CNZLTAUKZMJANK-UHFFFAOYSA-N 334.759 4.288 5 40 EIBB Cc1ccc(-c2cn3cc(-c4cccc([N+](=O)[O-])c4)n(C)c3n2)cc1 4678303 VCRIQANHBUGQKN-UHFFFAOYSA-N 332.363 4.223 5 40 EIBB Cc1ccc(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1C 5016524 HMWJBAVBAXUCPT-UHFFFAOYSA-N 334.372 4.082 5 40 EIBB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 6232006 PIEOWUUXKWWBDK-OAHLLOKOSA-N 330.771 4.056 5 40 EIBB C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc2S1 11055832 BEOBHVHIENVVAJ-LBPRGKRZSA-N 328.393 4.126 5 40 EIBB O=[N+]([O-])c1ccc(Br)cc1OC(Cl)(Cl)Cl 95215715 HAFVUKUYYNHNPC-UHFFFAOYSA-N 335.368 4.064 5 40 EIBB CC(=O)Nc1cc(C(C)(C)C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-] 96316043 ULXNSDBFFDMCRB-UHFFFAOYSA-N 337.376 4.056 5 40 EIBB Cc1cc([N+](=O)[O-])cc(Br)c1N1CCc2ccccc21 252488796 IZGMPBGOLWNFRX-UHFFFAOYSA-N 333.185 4.360 5 40 EIBB CC(=O)c1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 12516967 VCGLYYJADSNVAE-RYUDHWBXSA-N 330.306 4.330 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)c1ccco1 67031293 IMZVGRKSUGUDJP-GOSISDBHSA-N 336.347 4.016 5 40 EIBB Cc1c([C@H](C)Nc2nc3ccccn3c2[N+](=O)[O-])oc2ccccc12 95356837 AMKVAQQNMCUSEN-LBPRGKRZSA-N 336.351 4.470 5 40 EIBB Cc1ccc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2n1 16348874 CDVNNBNEFNROEG-UHFFFAOYSA-N 341.754 4.357 5 40 EIBB CCOC(=O)/C=C/c1ccc(-c2cc(Cl)c(C)cc2[N+](=O)[O-])o1 40541582 SSFYQMPIIQROBQ-FNORWQNLSA-N 335.743 4.393 5 40 EIBB O=C(Nc1ccc2nc(C3CC3)oc2c1)c1cc(F)ccc1[N+](=O)[O-] 89807626 HQMDZWQNOBCGNZ-UHFFFAOYSA-N 341.298 4.005 5 40 EIBB O=[N+]([O-])c1ccc(-c2noc(COc3ccc4ccccc4c3)n2)cc1 4690636 CZXRHXYBMKZJDC-UHFFFAOYSA-N 347.330 4.377 5 40 EIBB O=[N+]([O-])c1ccc2nc(/C=C/c3ccccc3[N+](=O)[O-])sc2c1 6943149 QQCBGPHBAPNSJQ-VMPITWQZSA-N 327.321 4.283 5 40 EIBB Cc1cc(C)cc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 7093528 BWHMSNVWFXVNCE-UHFFFAOYSA-N 330.409 4.084 5 40 EIBB O=C(O)c1cc([N+](=O)[O-])ccc1Nc1cc(Cl)cc(Cl)c1 19231461 SVCUFMRVIHJCLI-UHFFFAOYSA-N 327.123 4.343 5 40 EIBB CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(C)cc1C 218161206 SAMXKEMBDNDLIL-QGZVFWFLSA-N 326.396 4.022 5 40 EIBB CC(C)(C)OC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 72211 CSKGDJUOULHKRV-UHFFFAOYSA-N 337.319 4.047 5 40 EIBB O=C(Cc1ccccc1)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 72229018 IIOXHRSWPRBZFK-UHFFFAOYSA-N 325.151 4.083 5 40 EIBB Cc1nc(NC2CCCCC2)c([N+](=O)[O-])c(NC2CCCCC2)n1 8375097 XHVRQCWYDGUTGP-UHFFFAOYSA-N 333.436 4.182 5 40 EIBB [O-][N+]12CCCC[C@@H]1[C@H]1C[C@H](C2)[C@@H]2CCC[C@@H](c3ccccc3)N2C1 104004386 ALIOABLFDVSQOG-HYUSBSEKSA-N 326.484 4.099 5 40 EIBB CSc1ccc(OC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1C 1738492 GAUXFBMDWJBFNL-UHFFFAOYSA-N 336.344 4.375 5 40 EIBB COc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2cc1OC 113253375 MHRMSZPCHBTAJN-UHFFFAOYSA-N 344.298 4.092 5 40 EIBB Cc1cc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2cc1Cl 569624 YFUNCFSKIHAEQK-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB CCOC(=S)Sc1cccc2c1-c1ccc([N+](=O)[O-])cc1C2=O 1706446 GOTZEXHNOFJBLM-UHFFFAOYSA-N 345.401 4.220 5 40 EIBB CCN(CC)CCn1c2ccc(F)cc2c2nc3ccccc3nc21 9419582 LHVQUZVOCOUNPW-UHFFFAOYSA-N 336.414 4.219 5 40 EIBB C[C@H](SC1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 11445056 VTZOWXQLFVYGGH-VIFPVBQESA-N 328.821 4.251 5 40 EIBB CCc1c2sc3cc([N+](=O)[O-])ccc3nc-2c2ccccc2c1=O 16161119 XKSQTRGLRKKTCL-UHFFFAOYSA-N 336.372 4.385 5 40 EIBB O=[N+]([O-])c1ccccc1Sc1nnc2sc3ccccc3n12 29147281 NSJHKUSTKYLTNS-UHFFFAOYSA-N 328.378 4.003 5 40 EIBB CC(C)Oc1ccc(C(=O)OC[C@H]2CCC[N+]3(C)CCCC[C@H]23)cc1 485740 XGTLNLLQOKXQNE-CJHNXZANSA-N 346.491 4.040 5 40 EIBB Cc1ccc2cc(Cn3nc(C)c([N+](=O)[O-])c3C)c(Cl)nc2c1C 6589975 JNFCMYPLVLFGQN-UHFFFAOYSA-N 344.802 4.275 5 40 EIBB COc1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc(OC)c1 6831641 YRBGBPFXZIJDSH-SOFGYWHQSA-N 336.347 4.331 5 40 EIBB CC(C)c1nc2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc2o1 33216441 KHJQLSUJARUYKX-UHFFFAOYSA-N 339.351 4.041 5 40 EIBB CC(C)(O)C(C)(C)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 95997024 NZMLZYPYFFCQLD-UHFFFAOYSA-N 340.729 4.228 5 40 EIBB Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2nn(C(C)C)cc2c1 225561967 OANXZVPZIQLIGO-UHFFFAOYSA-N 338.367 4.086 5 40 EIBB O=C(c1ccc([N+](=O)[O-])o1)N(Cc1cccs1)Cc1cccs1 24463453 CLXFQIVAGIXEQB-UHFFFAOYSA-N 348.405 4.153 5 40 EIBB CN(Cc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])ccc1Cl 30756338 WCXODZNMIKWHNB-UHFFFAOYSA-N 339.178 4.174 5 40 EIBB Cc1ccc(Nc2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)cc1Cl 4809019 HSHOYKMZKSQSPX-UHFFFAOYSA-N 343.770 4.152 5 40 EIBB O=C(O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1 5589046 NRFLNEQVTZLTIA-UHFFFAOYSA-N 326.230 4.055 5 40 EIBB O=[N+]([O-])c1c(Oc2ccc(OC3CCCCC3)cc2)ccnc1O 596113281 SPJXUQSMTODYST-UHFFFAOYSA-N 330.340 4.199 5 40 EIBB COc1cccc(-c2cn3c(n2)sc2cc([N+](=O)[O-])ccc23)c1 151499 WMOKYWDJCBIJGH-UHFFFAOYSA-N 325.349 4.133 5 40 EIBB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccccc1[N+](=O)[O-] 4712917 JASFOXHVNUFGLY-PELKAZGASA-N 329.183 4.125 5 40 EIBB CCN(CC)c1ccc(-c2nc(-c3ccccc3)no2)cc1[N+](=O)[O-] 20897594 MVEVMLCMTLNCMJ-UHFFFAOYSA-N 338.367 4.158 5 40 EIBB CC(C)[N+]12CCC(CC1)[C@H](C(O)(c1ccccc1)c1ccccc1)C2 1247020 AZENWOFHMAQIEC-HWDGFJGFSA-N 336.499 4.188 5 40 EIBB CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCc2ccccc21 43342374 POCAUOVVPJQNRK-INIZCTEOSA-N 345.786 4.399 5 40 EIBB Cc1noc(/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1[N+](=O)[O-] 408544513 ULJAHBHOGHWWSF-CLFYSBASSA-N 341.279 4.230 5 40 EIBB Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] 284783 YEKLJINTRPMLST-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccccc3)cc2)cc1 8436375 XDRMMKZFWJVHIT-UHFFFAOYSA-N 347.418 4.464 5 40 EIBB CN(Cc1cccs1)c1ccc(Br)cc1[N+](=O)[O-] 42206229 ZLLAOALIWHMOPF-UHFFFAOYSA-N 327.203 4.055 5 40 EIBB Nc1c(Cl)cc([N+](=O)[O-])c(NC2CCCCC2)c1Br 45891295 VEJSIEPSGKNAGB-UHFFFAOYSA-N 348.628 4.338 5 40 EIBB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-] 176018 LJDMPWSXYNCIJL-UHFFFAOYSA-N 334.759 4.208 5 40 EIBB Cc1cc(Cl)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 3252213 HFLHPCJHNNQFKS-UHFFFAOYSA-N 335.743 4.002 5 40 EIBB O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc([N+](=O)[O-])cc1 7649244 HXEZFRKQPPKPKV-UHFFFAOYSA-N 328.221 4.005 5 40 EIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1cnc2cc(F)c(F)cc21 12644520 WOZWVYAVTFTUJR-UHFFFAOYSA-N 343.211 4.231 5 40 EIBB O=C(Nc1scnc1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])s1 69701645 MQWDPTCCCYNIRI-UHFFFAOYSA-N 349.368 4.171 5 40 EIBB CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)c1nc3cc4ccccc4cc3nc12 72221189 RCDMZQUGLGNBCM-RTWAWAEBSA-N 332.403 4.197 5 40 EIBB O=C(Nc1nc(-c2cccs2)cs1)c1cccc([N+](=O)[O-])c1 69020 WNQGCYHICSCWSE-UHFFFAOYSA-N 331.378 4.032 5 40 EIBB COc1ccc(C(=O)c2ccc3c4c(cccc24)CC3)cc1[N+](=O)[O-] 226295698 CTSPDDZZZRGVSF-UHFFFAOYSA-N 333.343 4.086 5 40 EIBB O=[N+]([O-])c1c(N2CCCCC[C@H]2c2ccco2)nc2sccn12 97163716 ABSWNKGXXWSXPS-NSHDSACASA-N 332.385 4.019 5 40 EIBB [O-][N+]1(c2ccc(Cl)cc2)CC[N+]([O-])(c2ccc(Cl)cc2)CC1 1737394 URMQFRCAVHZPRC-UHFFFAOYSA-N 339.222 4.317 5 40 EIBB Cc1ccc(Cl)cc1NC(=O)CCCNc1ccccc1[N+](=O)[O-] 12555642 VBERBEXPXZHLNH-UHFFFAOYSA-N 347.802 4.387 5 40 EIBB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 25328666 WYBADNMUEOMVBK-NSHDSACASA-N 348.786 4.090 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1C(=O)c1ccccc1 264951 OBFCQHBNMKLLQC-UHFFFAOYSA-N 346.342 4.078 5 40 EIBB O=[N+]([O-])c1ccc(N2CCC(c3ccc(O)cc3)CC2)c2ncccc12 12522099 YJSUDUCYTIMDAC-UHFFFAOYSA-N 349.390 4.233 5 40 EIBB Cc1cc(-c2nc(N3CCC[C@H](C)C3)sc2C)c(O)c([N+](=O)[O-])c1 35188758 YMTCBMMXADHEFY-JTQLQIEISA-N 347.440 4.277 5 40 EIBB Cc1cc(N[C@H]2CCc3ccccc32)nc(-c2cccc([N+](=O)[O-])c2)n1 65512950 RLZVXBNYQDAWCK-SFHVURJKSA-N 346.390 4.460 5 40 EIBB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 223015353 TZKOCPHPNCPKFS-INIZCTEOSA-N 348.786 4.353 5 40 EIBB C[N+]1(Cc2cn(C[N+]3(C)CCCCC3)c3ccccc23)CCCCC1 317425 HCFQIEQRLNNRKF-UHFFFAOYSA-N 341.543 4.360 5 40 EIBB O=[N+]([O-])c1cc(F)ccc1Nc1ccc(OC[C@H]2CCCO2)cc1 48260797 JMPOMTRAYRALNC-OAHLLOKOSA-N 332.331 4.035 5 40 EIBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1Cl 3196672 RZPLAIUNMXJZHJ-UHFFFAOYSA-N 333.756 4.110 5 40 EIBB Cc1cc(=O)oc2cc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)cc12 6365612 QBCMZFQXKZWTRO-UHFFFAOYSA-N 345.738 4.242 5 40 EIBB O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 7654071 JSEQJQRYWGWSGX-UHFFFAOYSA-N 344.273 4.385 5 40 EIBB CCSc1ccccc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1 7684501 XUSNFXCYSWIHQJ-UHFFFAOYSA-N 327.365 4.424 5 40 EIBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1cccs1 14629095 AFCBUMVBKNLPGN-CYBMUJFWSA-N 336.800 4.287 5 40 EIBB CC(C)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)nn1C(C)(C)C 84622464 WPRIQDNNIZDHSG-UHFFFAOYSA-N 348.378 4.061 5 40 EIBB O=[N+]([O-])c1cccc(-c2cnn(Cc3ccc(OC(F)F)cc3)c2)c1 95452523 KSCLVAGIMHMMAP-UHFFFAOYSA-N 345.305 4.108 5 40 EIBB O=C(NCc1cccc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 222825284 SJEOZQUQHOEQMP-UHFFFAOYSA-N 340.766 4.331 5 40 EIBB Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 12579328 KWZWBBRCMOQSCW-INIZCTEOSA-N 342.786 4.183 5 40 EIBB Cc1ccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1[N+](=O)[O-] 12861814 BFFNIDSNHCWIDF-CYBMUJFWSA-N 342.420 4.434 5 40 EIBB CC1CCN(C(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)CC1 20160315 ZGHVBMRAKQUFSZ-UHFFFAOYSA-N 338.816 4.335 5 40 EIBB CC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)cc1 25512869 GLFFFSSBMTUTOE-HNNXBMFYSA-N 348.786 4.138 5 40 EIBB C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 40099038 ZEKCMCYLSPARQQ-QMMMGPOBSA-N 325.777 4.192 5 40 EIBB O=[N+]([O-])c1ccc(CSc2nnc3sc4ccccc4n23)cc1 3495719 FLMXMUMWSBMJND-UHFFFAOYSA-N 342.405 4.145 5 40 EIBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)c1ccccc1 25614434 OFSRIRIIKQGFRO-KBPBESRZSA-N 344.436 4.295 5 40 EIBB O=C(Nc1scnc1-c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] 71794719 RJHPXTVLSCWRFU-UHFFFAOYSA-N 343.339 4.110 5 40 EIBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1Cl 3319342 ABXCPTUGULWJDT-UHFFFAOYSA-N 326.135 4.259 5 40 EIBB O=C(Nc1cccc(OC2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 12892140 IZSJCINPWXVINW-UHFFFAOYSA-N 326.352 4.169 5 40 EIBB COc1cc2ccccc2cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C 19160711 QMZCNWAFXLOYTH-UHFFFAOYSA-N 336.347 4.317 5 40 EIBB Cc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c2cccnc12 58421372 NIJOBKBGXUFMTQ-UHFFFAOYSA-N 346.346 4.185 5 40 EIBB CCCCCc1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-] 1894249 QNXYBPNWCLRSAV-UHFFFAOYSA-N 337.379 4.027 5 40 EIBB CC1CCN(C(=S)Nc2cc3cccnc3c3ncccc23)CC1 6417451 JQMSJAORAFRQLI-UHFFFAOYSA-N 336.464 4.212 5 40 EIBB COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 9141538 BADLHTYZGCMMBL-UHFFFAOYSA-N 328.368 4.153 5 40 EIBB O=[N+]([O-])c1cc(/C=C(/c2nc3ccccc3[nH]2)C(F)(F)F)ccc1O 59488915 YBOJMTTWRHRVAJ-YFHOEESVSA-N 349.268 4.280 5 40 EIBB Cc1c(NC(=O)CCN[C@H]2CCCC[C@H]2C(C)C)cccc1[N+](=O)[O-] 97141068 AENJKATXZTXFMM-RDJZCZTQSA-N 347.459 4.036 5 40 EIBB Cc1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 97165907 CMZWYLJMBHIXSA-UHFFFAOYSA-N 328.371 4.242 5 40 EIBB C[C@@H](Sc1nnc(Cc2ccccc2)o1)c1cccc([N+](=O)[O-])c1 7298003 UEPBMOLRRFTEQZ-GFCCVEGCSA-N 341.392 4.422 5 40 EIBB Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])cc1 36619756 JKJIRPFHQNKRDZ-INIZCTEOSA-N 325.368 4.272 5 40 EIBB O=C(NCc1ccccc1)Nc1cc2ncccc2c2cccnc12 408977542 WNYNTGSBRGDNEY-UHFFFAOYSA-N 328.375 4.105 5 40 EIBB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 505694 JAGHJQZDAICNTR-LBPRGKRZSA-N 346.358 4.265 5 40 EIBB Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Cl)c(C)c1 3145118 FYLNUTJRQBGSNN-UHFFFAOYSA-N 349.730 4.026 5 40 EIBB CC1CCN(c2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)CC1 4311280 DGGZQKLPFCBZMW-UHFFFAOYSA-N 348.406 4.441 5 40 EIBB O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccccc3s2)c1 7099495 CSZTXBCBVXULSZ-UHFFFAOYSA-N 325.393 4.472 5 40 EIBB CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(C)c(C)c1 217889787 DJRQGLMRJPRZGR-JARZOMNASA-N 338.407 4.492 5 40 EIBB C[N+](C)([O-])CCOc1cc2c(c3ccccc13)-c1ccccc1C2=O 1618116 WCZAXBXVDLKQGV-UHFFFAOYSA-N 333.387 4.004 5 40 EIBB O=C(Nc1nc(-c2ccco2)cs1)c1cc([N+](=O)[O-])ccc1Cl 5770430 JLRZWZQXZVKVLH-UHFFFAOYSA-N 349.755 4.217 5 40 EIBB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccccc1[N+](=O)[O-] 6626910 IZQCLXHGBYQBBC-UHFFFAOYSA-N 339.178 4.174 5 40 EIBB Cc1ccc(NC(=O)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] 32915806 BMSBKFWSGQMGCS-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB C[C@H](CN(C)c1ccccc1)Nc1ccc2ncccc2c1[N+](=O)[O-] 84638239 BUCWWGDLHJEVSX-CQSZACIVSA-N 336.395 4.080 5 40 EIBB C[C@@H](CC[N+](C)(C)C)OC(=O)c1ccc([C@@H](C)c2ccccc2)o1 1906515 FGPQKYITWNJHON-HOTGVXAUSA-N 330.448 4.073 5 40 EIBB biogenic COc1ccc(NC(=O)CCCSc2ccccc2)c([N+](=O)[O-])c1 10217839 GBEDUHBJFHXMRP-UHFFFAOYSA-N 346.408 4.114 5 40 EIBB CCOc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)c([N+](=O)[O-])c1 4656311 LHLXPNKVBOPJOH-UHFFFAOYSA-N 344.411 4.004 5 40 EIBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(c1)CCCC2 7067102 SWXUHRNYXSWJAI-AWEZNQCLSA-N 338.407 4.307 5 40 EIBB Cc1cc(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1C1CC1 25833747 ZPVQEVROWJMZON-CYBMUJFWSA-N 341.411 4.181 5 40 EIBB O=[N+]([O-])c1ccc(OCc2coc(-c3cccc(F)c3)n2)c(F)c1 40116543 HFZJLHDCUPCCCA-UHFFFAOYSA-N 332.262 4.107 5 40 EIBB CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ncc(-c2ccccc2)o1 32928706 RSNCIDKEVKJLJF-UHFFFAOYSA-N 337.379 4.272 5 40 EIBB COc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 107991357 XRHOBPKGQFEPMV-VOTSOKGWSA-N 337.734 4.314 5 40 EIBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccccc2)CCCC1 2584634 XPURZZRDIMZUKW-UHFFFAOYSA-N 340.379 4.054 5 40 EIBB Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1cccc(Cl)c1 4678670 YFNLMQUNDOBMMX-UHFFFAOYSA-N 342.786 4.261 5 40 EIBB O=C(Nc1ccc2c(=O)c3ccccc3oc2c1)c1cccc(F)c1 6660442 CKMAJHNOIMCWAJ-UHFFFAOYSA-N 333.318 4.338 5 40 EIBB O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\c1cccc2ccccc12 102446610 ODNUWHHKSQVTMO-LVZFUZTISA-N 332.315 4.432 5 40 EIBB COc1cc(Cl)c(C)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] 5509375 VJSIDBGPERNKCP-UHFFFAOYSA-N 334.759 4.126 5 40 EIBB CC[C@H](C)c1ccccc1NC(=O)CNc1cccc([N+](=O)[O-])c1 8128742 CDSIVMRZGYMKRS-ZDUSSCGKSA-N 327.384 4.159 5 40 EIBB O=C(Cc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 8907686 XDURZHWJSTWBFY-UHFFFAOYSA-N 325.151 4.083 5 40 EIBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 3552855 OFSBWVLYDUGYLW-VIFPVBQESA-N 339.178 4.393 5 40 EIBB Cc1cccc(C(=O)Nc2cc(F)ccc2OC(C)C)c1[N+](=O)[O-] 66433894 TZAUSDSMTIWKSH-UHFFFAOYSA-N 332.331 4.082 5 40 EIBB Cc1cc(C)c([C@@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1C 223394591 BYPDQHQLVYZRAN-ROJDOSBLSA-N 338.407 4.411 5 40 EIBB O=C(O)/C(=C/c1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1722918 AGVDOKLGWOBWGX-UKTHLTGXSA-N 337.253 4.239 5 40 EIBB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cccc([N+](=O)[O-])c1 13137696 QMAPVCPJORLYLY-ZHACJKMWSA-N 345.358 4.413 5 40 EIBB CCCNc1ccc(-c2nc(-c3ccccc3C)no2)cc1[N+](=O)[O-] 20897616 QCZSCURDXZZBRE-UHFFFAOYSA-N 338.367 4.442 5 40 EIBB COc1cc(/C(C)=C/C(C)=C/c2ccc([N+](=O)[O-])cc2)oc(=O)c1C 33985299 INCHGEJHIFBBOR-DSEBWEOJSA-N 341.363 4.372 5 40 EIBB biogenic,in-vitro Cc1ccc(C)c(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)c1 352669 AWMIICMNSNNDHR-UHFFFAOYSA-N 346.342 4.165 5 40 EIBB CCc1nc2c(c(C)c(C)n2C[C@H]2CCCO2)c2nc3ccccc3n12 6665231 SOPFDJNMGDGEOB-OAHLLOKOSA-N 348.450 4.195 5 40 EIBB Cc1ccc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2n1 9192639 QFTCZIXEXHBGQJ-UHFFFAOYSA-N 341.754 4.357 5 40 EIBB O=[N+]([O-])c1cccnc1Nc1ccc2c(c1)OC1(CCCCC1)O2 22023754 LWQMCGOKFLGYCU-UHFFFAOYSA-N 327.340 4.165 5 40 EIBB C[C@@H](c1ccccc1)N(C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 25614429 OFSRIRIIKQGFRO-UONOGXRCSA-N 344.436 4.295 5 40 EIBB CCN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 47611895 NPHQNTOEBZLPTC-UHFFFAOYSA-N 333.775 4.302 5 40 EIBB COc1ccc([N+](=O)[O-])cc1OCc1nc(-c2ccccc2)oc1C 12853352 XDYIIZKOYOUQGR-UHFFFAOYSA-N 340.335 4.146 5 40 EIBB CN(c1ccccc1)c1ncnc(/C=C/c2ccccc2)c1[N+](=O)[O-] 53944058 UDEOTSCEIABBFA-OUKQBFOZSA-N 332.363 4.323 5 40 EIBB O=[N+]([O-])c1ccccc1NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100014256 BAMBRAKLPMTTIS-QZTJIDSGSA-N 337.423 4.202 5 40 EIBB CNc1ccnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-] 526059851 XRSABRSWIODDCS-UHFFFAOYSA-N 348.406 4.238 5 40 EIBB Cc1[nH]c2ccccc2c1[C@H](c1ccc2c(c1)OCO2)[C@@H](C)[N+](=O)[O-] 121952 HBTJDPLUCRBUDO-BLVKFPJESA-N 338.363 4.002 5 40 EIBB Cc1c(Cl)cccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 288671 NUOPNRTVCQBUID-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB O=C(Nc1ccc2c(=O)c3ccccc3oc2c1)c1ccc(F)cc1 6660803 LZGWXQIWVIAKCY-UHFFFAOYSA-N 333.318 4.338 5 40 EIBB O=[N+]([O-])c1ccc2[nH]c(/C=C/c3ccccc3OC(F)F)nc2c1 12525143 MJRDGMZDJHOLCR-VMPITWQZSA-N 331.278 4.243 5 40 EIBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccc(F)cc1F 17742851 DDRJHMCNRDZDMA-SNVBAGLBSA-N 335.310 4.098 5 40 EIBB COc1cccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c1 72229464 KHYKOQRTBZXCRE-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB Cc1cc(C)c(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1C 4028602 HXRDLTAYKDJZSA-RUYIAYPLSA-N 330.492 4.178 5 40 EIBB Cc1ccc(C)c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)c1 4420693 MNSBAZGZAQQYPL-UHFFFAOYSA-N 338.323 4.412 5 40 EIBB aggregator O=[N+]([O-])c1ccc(F)cc1OCc1nc(-c2ccccc2Cl)no1 8221194 JTPCNDBWTMOIHI-UHFFFAOYSA-N 349.705 4.016 5 40 EIBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1c(F)cccc1Cl)C1CC1 12785242 XXJBVLGYCVSNHP-UHFFFAOYSA-N 348.761 4.192 5 40 EIBB O=[N+]([O-])c1ccc(/C=C/Sc2ncnc3sc4c(c23)CCC4)o1 84436714 DNAXKMKIYRYGAD-VOTSOKGWSA-N 345.405 4.444 5 40 EIBB CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(C)c(C)c1 218161111 AVZMKDYKUNSFTJ-KRWDZBQOSA-N 326.396 4.022 5 40 EIBB CCc1cc([N+](=O)[O-])cc(Br)c1N1CCC[C@@H](C)C1 226315693 MBYWOQDBKMEBCA-SNVBAGLBSA-N 327.222 4.156 5 40 EIBB O=C(/C=C/C=C/c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 1783330 UFDNLXJVOAACOP-KBXRYBNXSA-N 328.755 4.456 5 40 EIBB CCc1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1 9141756 FFGMEMZOMZPTOV-UHFFFAOYSA-N 348.786 4.137 5 40 EIBB O=C(NCC1(c2ccccc2)CCC1)c1ccc(Cl)cc1[N+](=O)[O-] 10221294 NLDVLVWYHWFNIB-UHFFFAOYSA-N 344.798 4.100 5 40 EIBB S=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)N1CCCC1 38305896 NLYYQDRMRQRGMM-UHFFFAOYSA-N 348.431 4.024 5 40 EIBB COc1cc(C(C)=O)ccc1OCc1ccc(Cl)c([N+](=O)[O-])c1 83843713 VPXFKXWROQGTRL-UHFFFAOYSA-N 335.743 4.038 5 40 EIBB Cc1ccccc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 216435349 FBWBOJGYUVYXRN-HXUWFJFHSA-N 346.386 4.423 5 40 EIBB NC(=O)c1ccc(Oc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 2638861 OJIMBQZUDQPOKN-UHFFFAOYSA-N 334.331 4.153 5 40 EIBB CC[C@@H](C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 4719181 CLFOGRWETFDPSZ-LLVKDONJSA-N 343.339 4.269 5 40 EIBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCCCC1 6861893 LMCDSCVBEFINAR-UHFFFAOYSA-N 334.759 4.134 5 40 EIBB O=C(Nc1cccc(OC2CCCC2)c1)c1ccc([N+](=O)[O-])s1 13012531 PJCZSYRAFHAVOE-UHFFFAOYSA-N 332.381 4.230 5 40 EIBB Cc1cc(C)c([N+](=O)[O-])c(OCc2cccc(C(F)(F)F)c2)n1 96006428 UEWVUGQZQSWIHE-UHFFFAOYSA-N 326.274 4.204 5 40 EIBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 2620679 GBOLORJIPZKGQG-UHFFFAOYSA-N 326.135 4.163 5 40 EIBB Cc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 17122539 HZNOVTRYDPIQAF-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB Cc1cc(C(=O)N[C@H](CC(C)C)c2ccccc2)ccc1[N+](=O)[O-] 30853084 ZWFGUEPOJJEGEO-QGZVFWFLSA-N 326.396 4.420 5 40 EIBB O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 180777 XJJRQXJWTVJBAE-OAHLLOKOSA-N 334.784 4.027 5 40 EIBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 3552856 OFSBWVLYDUGYLW-SECBINFHSA-N 339.178 4.393 5 40 EIBB COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 4377640 IIISDFVHLGNTMM-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB O=[N+]([O-])c1ccc(Cl)c(NC(=S)Nc2ccc(F)cc2)c1 13811983 NZPQJACNWYWLKW-UHFFFAOYSA-N 325.752 4.196 5 40 EIBB COC(=O)c1ccc(/C=C/c2ccc(C(C)C)c([N+](=O)[O-])c2)nc1 32936539 BXVRBQNADKPWFE-QPJJXVBHSA-N 326.352 4.070 5 40 EIBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2nc1Cl 5446637 GFKTZPYMVPFJEQ-UHFFFAOYSA-N 327.727 4.049 5 40 EIBB CN(C)c1ccc(NC(=O)c2cc3ccccc3c3cccnc23)cn1 76172664 IJJJZBBAFGVAQE-UHFFFAOYSA-N 342.402 4.101 5 40 EIBB O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(CO)cc1 6607769 ZYDSOFXXOJCEPN-UHFFFAOYSA-N 343.382 4.237 5 40 EIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1cccc(C)c1C 9141759 FQNRPIDXVDJMEV-UHFFFAOYSA-N 348.786 4.191 5 40 EIBB O=C(c1ccc(OC(F)F)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 3344316 LZVYGJLXWRCNIV-UHFFFAOYSA-N 333.246 4.173 5 40 EIBB Cc1c(NC(=O)c2ccc(N3CCCCC3)cc2)cccc1[N+](=O)[O-] 14398772 UNJUQRIWEMELTG-UHFFFAOYSA-N 339.395 4.146 5 40 EIBB O=C(CCSc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 59244594 QZXIKVHXQWLBLP-UHFFFAOYSA-N 336.800 4.369 5 40 EIBB Cc1ccccc1NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 97165901 YTYHQTIVONXORM-UHFFFAOYSA-N 328.371 4.242 5 40 EIBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CCCCC1 149072 NDAQHBYUQFRNAY-UHFFFAOYSA-N 331.397 4.237 5 40 EIBB O=C1N=C(c2cccc([N+](=O)[O-])c2)c2ccccc2Nc2ccccc21 120895 DVVDBZWXUGVBFC-UHFFFAOYSA-N 343.342 4.330 5 40 EIBB O=C(Nc1ccccc1[N+](=O)[O-])c1cc2ccccc2nc1Cl 5446643 PJBYWJOUKYCPLF-UHFFFAOYSA-N 327.727 4.049 5 40 EIBB COc1ccc(NC(=O)c2ccccc2)c2nc3ccccc3nc12 5447036 LIXQHKSBWINERV-UHFFFAOYSA-N 329.359 4.044 5 40 EIBB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 30853246 GCDXVRGDPDLUOX-KRWDZBQOSA-N 328.368 4.008 5 40 EIBB C[C@H](c1ccccn1)N(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 57265319 SXOZMFDUELOASQ-LLVKDONJSA-N 345.786 4.009 5 40 EIBB O=C(NCC1(c2ccc(Cl)cc2)CCCC1)c1ccc([N+](=O)[O-])o1 65885009 FBFGEFQYOHWDGR-UHFFFAOYSA-N 348.786 4.083 5 40 EIBB Cc1nc(-c2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)cs1 577284 WKBAPHXTZZFLGH-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB O=C(Nc1ccccc1[N+](=O)[O-])C1[C@H]2CCC[C@@H]1C2c1ccccc1 13590656 WCCLSRPUKLQPQP-MYMYQCDVSA-N 336.391 4.363 5 40 EIBB O=C(Nc1cc(Cl)cc2cccnc12)c1ccc([N+](=O)[O-])s1 32753683 KOALVPAYIXTBOU-UHFFFAOYSA-N 333.756 4.110 5 40 EIBB Cc1ccc(C2=NN[C@H](c3c(Cl)cccc3[N+](=O)[O-])S2)cc1 4179982 UWPLPYMTTVJFID-HNNXBMFYSA-N 333.800 4.253 5 40 EIBB CC[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Br)cc1 22806929 DQFPIHUPSDJSNT-ZDUSSCGKSA-N 336.189 4.316 5 40 EIBB Cc1cccc(C(=O)N2CCCSc3ccccc32)c1[N+](=O)[O-] 37084813 CHNLYYYOOXEYCQ-UHFFFAOYSA-N 328.393 4.046 5 40 EIBB Cc1ccc(-c2nnc([C@@H](C)Oc3ccc([N+](=O)[O-])cc3)o2)cc1 8291147 OHDLKVJXYJRAKP-GFCCVEGCSA-N 325.324 4.093 5 40 EIBB Nc1nc2oc3ccccc3c(=O)c2cc1-c1nc2ccccc2s1 19794163 OFMZHZGYYUUBSQ-UHFFFAOYSA-N 345.383 4.200 5 40 EIBB C[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(-n2ccnc2)c1 95968741 PPSYKEKEXFRLGF-CABCVRRESA-N 336.395 4.192 5 40 EIBB Cc1c(NC(=O)CCN[C@@H]2CCCC[C@@H]2C(C)C)cccc1[N+](=O)[O-] 97141064 AENJKATXZTXFMM-NVXWUHKLSA-N 347.459 4.036 5 40 EIBB O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1CC1CCCCC1 409136954 UFIHOQWHYKHFFR-XNTDXEJSSA-N 346.408 4.211 5 40 EIBB O=[N+]([O-])c1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)cc1 949103 IDXXUSQSEABTCQ-UHFFFAOYSA-N 334.379 4.195 5 40 EIBB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 13709215 DTPQEVFMYJKWIY-ZDUSSCGKSA-N 336.347 4.154 5 40 EIBB O=[N+]([O-])c1cc([C@@H]2OCCCN2Cc2ccccc2)ccc1Cl 59489937 QLOLIVHSGBPFLJ-KRWDZBQOSA-N 332.787 4.169 5 40 EIBB CC(C)(C)NC(=O)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 408996044 NSYTZRUBQFUMKG-UHFFFAOYSA-N 333.395 4.184 5 40 EIBB Cc1cc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2cc1Cl 569621 ZYYXPMUXQCMGTC-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB COP(=O)(OC)[C@@H](Nc1ccccc1)c1cccc([N+](=O)[O-])c1 1816292 LOASWEXTTFLOCR-OAHLLOKOSA-N 336.284 4.191 5 40 EIBB O=[N+]([O-])c1cccc(CSc2nnc3sc4ccccc4n23)c1 3495724 WCWIZGBUYRRUQQ-UHFFFAOYSA-N 342.405 4.145 5 40 EIBB Cc1ccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C 8477870 NRKDAUPLXZHVFC-GFCCVEGCSA-N 348.786 4.271 5 40 EIBB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 12909201 SKHUZTJOPHONEI-SNVBAGLBSA-N 330.365 4.236 5 40 EIBB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1C 12137659 NYWASQNRIXXPBW-QGZVFWFLSA-N 328.368 4.008 5 40 EIBB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc([N+](=O)[O-])o1 30317237 HNABSXQSCINLKW-MRVPVSSYSA-N 343.166 4.328 5 40 EIBB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccccc1[N+](=O)[O-] 4712918 JASFOXHVNUFGLY-UFBFGSQYSA-N 329.183 4.125 5 40 EIBB C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 5559214 FTJBMDQGGICCPE-SECBINFHSA-N 339.178 4.393 5 40 EIBB COc1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 5177415 XXFODLIJQJRNQW-UHFFFAOYSA-N 327.365 4.471 5 40 EIBB Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1C 14258160 ORTYCILKWUBIRN-UHFFFAOYSA-N 339.395 4.064 5 40 EIBB Cc1cc(-c2nc(N3CCC[C@@H](C)C3)sc2C)c(O)c([N+](=O)[O-])c1 35188760 YMTCBMMXADHEFY-SNVBAGLBSA-N 347.440 4.277 5 40 EIBB Cc1ccc(C2=NN[C@H](c3ccc([N+](=O)[O-])c(Cl)c3)S2)cc1 59431948 TWOKVXKRCBANPI-HNNXBMFYSA-N 333.800 4.253 5 40 EIBB CC(C)[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccs1 84456450 PNFIOSUYTLAHSM-OAHLLOKOSA-N 343.408 4.265 5 40 EIBB COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl 1392296 UORSRZDKHYSLHG-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB CC(C)c1ccc(Nc2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)cc1 5516087 YEULESFVJBASGO-UHFFFAOYSA-N 337.379 4.314 5 40 EIBB Cc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)c1 8497866 HYKRXCUEQGNFFI-LBPRGKRZSA-N 348.786 4.271 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCCCC2)cc1 14401372 IXADBKNQLQSQOC-UHFFFAOYSA-N 339.395 4.146 5 40 EIBB CCCCNc1nnc(Sc2ccc([N+](=O)[O-])cc2Cl)s1 20667153 GTGHERUTXWNMFU-UHFFFAOYSA-N 344.849 4.463 5 40 EIBB COc1ccc([N+](=O)[O-])cc1OCc1ccc(Cl)c2cccnc12 31647200 TVKXVMMXJKCTCL-UHFFFAOYSA-N 344.754 4.384 5 40 EIBB O=C(CSc1ccc(Cl)cc1)Nc1ccc(F)cc1[N+](=O)[O-] 6322284 SCDNDDSDTIWNKV-UHFFFAOYSA-N 340.763 4.118 5 40 EIBB O=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc2sc(-c3ccccc3)cc12 6651176 YGOYPHVOOKYULP-UHFFFAOYSA-N 349.371 4.227 5 40 EIBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(CCc2ccccc2)CC1 11452531 GXAINPVJSYDSQB-UHFFFAOYSA-N 338.407 4.080 5 40 EIBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccc(OC(C)C)c1 72228675 JMORCEWOMIVELD-UHFFFAOYSA-N 328.368 4.251 5 40 EIBB CCN(C(=O)c1cccc2nc3ccccc3nc12)c1ccccc1 9171760 XEAFPXNZDQKISW-UHFFFAOYSA-N 327.387 4.450 5 40 EIBB CC(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])o2)C2CC2)cc1 24376934 RDKYOMJSRYMUMS-UHFFFAOYSA-N 328.368 4.116 5 40 EIBB O=[N+]([O-])c1cc2c(c(CN3CCC[C@@H]3C3CCCCC3)c1)OCOC2 52131767 ILXHHNRFGOJFGJ-GOSISDBHSA-N 346.427 4.006 5 40 EIBB O=c1c2ccccc2c(=O)c2c1ccc1sc3ccccc3[nH]c12 100565940 WLSUQKGKEWTGAA-UHFFFAOYSA-N 329.380 4.409 5 40 EIBB Cc1ccc(OCc2csc(-c3ccccc3)n2)c([N+](=O)[O-])n1 9716998 YBTODUPNVKGTIY-UHFFFAOYSA-N 327.365 4.001 5 40 EIBB O=[N+]([O-])c1cc2c(c(CN3CCC[C@H]3C3CCCCC3)c1)OCOC2 52131768 ILXHHNRFGOJFGJ-SFHVURJKSA-N 346.427 4.006 5 40 EIBB Cc1cc(Cl)ccc1OCC(=O)Nc1c(C)cc([N+](=O)[O-])cc1C 72228842 AWSMSGVNKWCEAQ-UHFFFAOYSA-N 348.786 4.191 5 40 EIBB Cc1nn(CC(=O)c2ccc(C3CCCCC3)cc2)c(C)c1[N+](=O)[O-] 4548860 TWJXZFRZSFWNOY-UHFFFAOYSA-N 341.411 4.339 5 40 EIBB O=C(COc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)-c1ccccc1C2 5107039 KSLKTADGKWXKKL-UHFFFAOYSA-N 345.354 4.428 5 40 EIBB O=[N+]([O-])c1cc(Cl)ccc1-n1nc(C(F)(F)F)c2c1CCCC2 12396602 NIDPRNABZPSYMW-UHFFFAOYSA-N 345.708 4.332 5 40 EIBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2o1 8062429 PESBWSNHSSZLDS-JTQLQIEISA-N 344.754 4.485 5 40 EIBB Cc1ccc2nc(Nc3nc4ccc([N+](=O)[O-])cc4s3)oc2c1 57352644 VHXSAYYYTFGZAN-UHFFFAOYSA-N 326.337 4.398 5 40 EIBB Cc1cccc(N2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1C 57731284 VUBIZDTZHJRKJE-QGZVFWFLSA-N 339.439 4.095 5 40 EIBB COc1ccc(NC(=O)c2ccc3nc4ccccc4nc3c2)cc1 96582904 ONHPIPRASOTZCO-UHFFFAOYSA-N 329.359 4.044 5 40 EIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc2ccccc2c1 222746829 NKRKKSMESYMVGW-PKNBQFBNSA-N 332.359 4.078 5 40 EIBB N=c1oc2ccc3ccccc3c2cc1-c1nnc2n1CCCCC2 4166574 ZGUXBAHYOPFLBK-UHFFFAOYSA-N 330.391 4.050 5 40 EIBB Cc1cc(C)c2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2c1 4330837 HWAAOZXCBPDSIT-UHFFFAOYSA-N 327.365 4.074 5 40 EIBB O=C(c1cccc([N+](=O)[O-])c1)N1CCC(CCc2ccccc2)CC1 11228265 VDNVOYFMNQSIGH-UHFFFAOYSA-N 338.407 4.080 5 40 EIBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccc(F)cc1F 17742853 DDRJHMCNRDZDMA-JTQLQIEISA-N 335.310 4.098 5 40 EIBB Cc1ccc(Cl)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 27643553 MYZDFOVJGMKHDG-UHFFFAOYSA-N 332.787 4.473 5 40 EIBB O=[N+]([O-])c1c(NCCc2cccc3cccnc23)ccc2ncccc12 58406467 WDPBMJMJLKWPJJ-UHFFFAOYSA-N 344.374 4.346 5 40 EIBB CC(=O)Nc1ccc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)cc1 5156049 PHBMLUCSAFXOPV-JXMROGBWSA-N 333.347 4.272 5 40 EIBB CCOC(=O)c1cc(Cl)c(NC2CCCCC2)c([N+](=O)[O-])c1 70462656 IXVIENLHFGMUBQ-UHFFFAOYSA-N 326.780 4.170 5 40 EIBB CCN1C=C(c2ccc3ccccc3n2)[C@@H](C[N+](=O)[O-])c2ccccc21 173039 XTDVPHJOOUEMFX-KRWDZBQOSA-N 345.402 4.476 5 40 EIBB Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2s1 193962 BSCFTIDUQRHELR-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB O=C(Cc1ccccc1)Nc1ccc2c(=O)c3cccc(F)c3oc2c1 6660357 HOIZYSBLZCKJOI-UHFFFAOYSA-N 347.345 4.267 5 40 EIBB COC(=O)[C@]12CC[C@@](C)(c3nc4cc5ccccc5cc4nc31)C2(C)C 103708423 WUPKUQYIWMPOFJ-VXKWHMMOSA-N 346.430 4.285 5 40 EIBB O=C(C[C@@H](c1ccccc1)[C@H]1CCCC1=O)c1ccc([N+](=O)[O-])cc1 2258879 XNDSARCVLSJXDS-MSOLQXFVSA-N 337.375 4.321 5 40 EIBB O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCCCO3)c2ccncc12 22806734 IMZLAMNBPWJSSZ-UHFFFAOYSA-N 337.335 4.048 5 40 EIBB COc1cc(/C=C(\Cl)c2nc3ccccc3o2)cc([N+](=O)[O-])c1O 35310616 UEVISNWNIZHAFS-POHAHGRESA-N 346.726 4.187 5 40 EIBB Cc1ccc(Cl)c2sc(NC(=O)c3ccc([N+](=O)[O-])o3)nc12 2723875 QZAXYSURWOGZKB-UHFFFAOYSA-N 337.744 4.012 5 40 EIBB CN(Cc1c(F)cccc1Cl)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 12633970 KXQUIDQAUAGBED-CMDGGOBGSA-N 348.761 4.059 5 40 EIBB O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H]1c1ccsc1 48323427 QFIHVPVXNVEGAT-CQSZACIVSA-N 341.392 4.115 5 40 EIBB COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccccc1 5444440 XLPWPOYGGLGUQK-UHFFFAOYSA-N 329.359 4.044 5 40 EIBB O=C(N[C@@H](c1cccs1)C1CCCC1)c1ccccc1[N+](=O)[O-] 31806524 KNITWVZUTWVGPK-MRXNPFEDSA-N 330.409 4.318 5 40 EIBB O=c1oc(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2cc(Cl)ccc12 84713 FORAPWLDSZAHSS-UHFFFAOYSA-N 337.118 4.070 5 40 EIBB COc1ccc(-c2nc(COc3ccc([N+](=O)[O-])cc3)cs2)cc1 5216451 LRRBPGAQUMMPDM-UHFFFAOYSA-N 342.376 4.306 5 40 EIBB O=C1Oc2ccccc2[C@@]1(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 116093 HHFBVLSDPSXXSU-OAQYLSRUSA-N 345.354 4.043 5 40 EIBB Cc1cc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c(C)c(C)c1C 7757863 UIKNOICCWOBNNY-UHFFFAOYSA-N 331.343 4.229 5 40 EIBB COc1cc(Nc2ccc3[nH]c(C)cc3c2)c([N+](=O)[O-])cc1OC 95452445 SXNSLJXKAIJINM-UHFFFAOYSA-N 327.340 4.145 5 40 EIBB O=[N+]([O-])c1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1 4199212 YGBTUCBJPTYOKK-UHFFFAOYSA-N 325.368 4.113 5 40 EIBB CC[C@H](C)c1ccc(O)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 5656614 YNBNCMRMSBFVFN-NSHDSACASA-N 328.368 4.375 5 40 EIBB Cc1ccc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 32173373 XGSDOKJAYPPETP-UHFFFAOYSA-N 344.417 4.488 5 40 EIBB Cc1ccccc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 44880288 DJTLMSRUWZZAQM-FQEVSTJZSA-N 346.386 4.423 5 40 EIBB Cc1ccc(C)c(OCCNc2nc3ccc([N+](=O)[O-])cc3s2)c1 59461245 ODNOFQZLMWOLHJ-UHFFFAOYSA-N 343.408 4.312 5 40 EIBB O=[N+]([O-])c1c(Oc2cccc(-n3ccnc3)c2)ccc2ncccc12 77982064 FUFZCVCAVPLOST-UHFFFAOYSA-N 332.319 4.121 5 40 EIBB Cc1ccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1 2605040 ONOBAIWGHJGYBF-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] 2742472 SYLRAMRMVBUOCS-SNVBAGLBSA-N 348.761 4.369 5 40 EIBB CCc1nc2oc3ccc(Cl)cc3c(=O)c2c2nc3ccccc3n12 5208497 QABQBKGJWYDXSS-UHFFFAOYSA-N 349.777 4.358 5 40 EIBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cc2cc(F)ccc2s1 12916959 GULBSJPFBMALCY-UHFFFAOYSA-N 331.324 4.306 5 40 EIBB O=[N+]([O-])c1cccc(CN2CCn3cccc3[C@@H]2c2ccccc2)c1 30588876 VPNGCEAOPFCEFC-FQEVSTJZSA-N 333.391 4.002 5 40 EIBB Cc1cccc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 15410517 LNYBGZLBSNVREZ-UHFFFAOYSA-N 330.409 4.084 5 40 EIBB O=C(CSc1cccc2ccccc12)Nc1cccc([N+](=O)[O-])c1 409180404 RYBGSHLGIZWHMT-UHFFFAOYSA-N 338.388 4.479 5 40 EIBB Cc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2s1 6852567 XUVAZNSZPXQXIV-UHFFFAOYSA-N 327.365 4.074 5 40 EIBB O=C(Nc1nc2cc(Cl)ccc2s1)c1ccccc1[N+](=O)[O-] 13954867 YJVWZSIPXNSAFA-UHFFFAOYSA-N 333.756 4.110 5 40 EIBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(F)cc3[C@@H]3OCCC[C@H]23)c1 409190219 QARLBFSIZMGBQY-FHLIZLRMSA-N 328.343 4.368 5 40 EIBB CC(C)c1ccc(NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 6623590 NMHAHBHLSQEVHI-UHFFFAOYSA-N 327.384 4.037 5 40 EIBB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 13709213 DTPQEVFMYJKWIY-CYBMUJFWSA-N 336.347 4.154 5 40 EIBB O=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1ccco1 38201871 CPJGXVKJQTUWRF-UHFFFAOYSA-N 329.315 4.077 5 40 EIBB C[N@+]12CCCC[C@H]1[C@@H](COc1ccccc1Br)CCC2 247661028 SEPYUZLOJMQPCJ-SIXWZSSISA-N 339.297 4.237 5 40 EIBB biogenic,in-vitro Cc1cc(=O)oc2c1ccc1occ(Nc3cccc([N+](=O)[O-])c3)c12 32623 GPZZFJZKVHFXBO-UHFFFAOYSA-N 336.303 4.499 5 40 EIBB biogenic,in-vitro C[C@H](Sc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3510948 PJJQPWQJWRXRKE-JTQLQIEISA-N 336.800 4.368 5 40 EIBB Cc1ccccc1-c1noc(-c2ccc(NC(C)C)c([N+](=O)[O-])c2)n1 20897623 XUKYVDXOQRDGST-UHFFFAOYSA-N 338.367 4.441 5 40 EIBB Cc1c2ccccc2c(CSCC[C@H](N)C(=O)O)c2ccccc12 6484028 XUHLTCBCCKHJRA-IBGZPJMESA-N 339.460 4.337 5 40 EIBB C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cc2ccccc2o1 8237568 DACWDDCIHMJREX-JTQLQIEISA-N 344.754 4.485 5 40 EIBB CC(=O)c1cc(N[C@@H](c2ncc(C)s2)C2CC2)ccc1[N+](=O)[O-] 252495837 PCRWNDZJUMCWAD-OAHLLOKOSA-N 331.397 4.126 5 40 EIBB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(C[N+](=O)[O-])=CC[C@@]43C)[C@@H]1CC[C@@H]2O 3849949 DTXNPOBNJOPXJO-MKOCOSAPSA-N 333.472 4.203 5 40 EIBB CCOC(=O)c1oc2ccccc2c1COc1ccc([N+](=O)[O-])cc1 7168463 PFJOOFDPSFCJRF-UHFFFAOYSA-N 341.319 4.097 5 40 EIBB Cc1cccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1[N+](=O)[O-] 12974973 LPPHSXDRKPZPPA-CQSZACIVSA-N 346.383 4.009 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)cccc1C(C)C 14397043 ZJZJLRRQSQWPLK-UHFFFAOYSA-N 348.424 4.136 5 40 EIBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(F)cc2)o1 16789762 WKPMBPUPCNBDLM-UHFFFAOYSA-N 326.283 4.246 5 40 EIBB O=[N+]([O-])c1cc2c(cc1CNc1cccc(Cl)c1Cl)OCO2 49035 ANRIXKQSGYAMFI-UHFFFAOYSA-N 341.150 4.242 5 40 EIBB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 505693 JAGHJQZDAICNTR-GFCCVEGCSA-N 346.358 4.265 5 40 EIBB O=[N+]([O-])c1c(NCc2ccc(-c3ccccc3)o2)nc2sccn12 71811746 FKXKEFMPSAILGG-UHFFFAOYSA-N 340.364 4.176 5 40 EIBB O=C(/C=C/c1ccc([N+](=O)[O-])s1)OCc1nc2ccccc2s1 4079253 UXJKJYVVPBJLJE-SOFGYWHQSA-N 346.389 4.023 5 40 EIBB O=C(Nc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 4926571 HZEDCXHUTRLSPV-UHFFFAOYSA-N 343.236 4.397 5 40 EIBB O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 1312644 BJGBENCKKXEWGB-UHFFFAOYSA-N 339.101 4.058 5 40 EIBB CCc1cccc(C)c1NC(=O)CSc1ccc([N+](=O)[O-])cc1 3433573 HNQFXPYRHGKQGQ-UHFFFAOYSA-N 330.409 4.196 5 40 EIBB C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)S1 80951424 TZHDHVLXQYXJKG-KBPBESRZSA-N 336.460 4.354 5 40 EIBB O=[N+]([O-])c1ccc(Oc2ncnc3sc4c(c23)CCCC4)cc1 6889177 USWRWSRUVNMGSK-UHFFFAOYSA-N 327.365 4.271 5 40 EIBB CN(Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 40098672 MIDFBIZASQNRRB-UHFFFAOYSA-N 337.738 4.051 5 40 EIBB C[C@@H]1CCCCN1c1c(Cl)cc(Br)cc1[N+](=O)[O-] 45958978 CYPNKJFRXVBHPA-MRVPVSSYSA-N 333.613 4.390 5 40 EIBB Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 59351571 YWEKTTLLHRKFTE-GFCCVEGCSA-N 332.787 4.356 5 40 EIBB Cc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1C 179733 AFXSNIBQIOHNPS-UHFFFAOYSA-N 346.342 4.165 5 40 EIBB CCCOc1ccc([C@@](O)(CC[N+](C)(C)C)C2CCCCC2)cc1 1798301 ZSQJTOZTOGOMSQ-OAQYLSRUSA-N 334.524 4.340 5 40 EIBB C[C@@H](c1ccc(Cl)cc1Cl)N(C)c1ccc([N+](=O)[O-])cn1 12875228 WFQORZBKIZSUON-VIFPVBQESA-N 326.183 4.494 5 40 EIBB C[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc12 6061294 VJNBLDPGUQKOKT-ZDUSSCGKSA-N 336.347 4.154 5 40 EIBB O=[N+]([O-])c1c(Oc2cccc(C(F)(F)F)c2)nc2sccn12 1395926 ODBRZNWEGPDUEW-UHFFFAOYSA-N 329.259 4.115 5 40 EIBB CCCOc1ccc(C(=O)[C@@H](C[N+](C)(C)C)c2ccccc2)cc1 2255638 UCWHXPJTYNCOFV-FQEVSTJZSA-N 326.460 4.148 5 40 EIBB Cc1c(Cl)cccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 2746045 JCEMTAAKAPJZEW-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB S=C(Nc1cc2cccnc2c2ncccc12)NC1CCCCC1 6257792 IFSPKGLRMPMFOC-UHFFFAOYSA-N 336.464 4.402 5 40 EIBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2ccccc2c1 11595192 HEMYELKHBYMEPM-UHFFFAOYSA-N 335.363 4.189 5 40 EIBB C/C=C1/C[N@@+]2(CCC)CC[C@]34C(=Nc5ccccc53)C(=CO)[C@H]1C[C@@H]42 2049251969 NNGQLOSIKGOGJJ-GXEAZCBBSA-O 335.471 4.431 5 40 EIBB COc1ccc(OCc2csc(-c3ccccc3)n2)c([N+](=O)[O-])c1 5195866 CJQGSWBGWXPWQE-UHFFFAOYSA-N 342.376 4.306 5 40 EIBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl 7093792 YSZIXOZOSYWSGM-UHFFFAOYSA-N 336.800 4.120 5 40 EIBB O=C(Nc1ccc2ccccc2n1)c1ccc(Cl)cc1[N+](=O)[O-] 49082147 MZGVNRFAVMXZLK-UHFFFAOYSA-N 327.727 4.049 5 40 EIBB Cc1ccc([C@@H]2CCCN2c2nc3ccccn3c2[N+](=O)[O-])cc1C 89643196 NXXLFQGEGVXPMF-INIZCTEOSA-N 336.395 4.201 5 40 EIBB O=C(N[C@@H]1CCCc2ccccc21)c1cc(Cl)ccc1[N+](=O)[O-] 3538451 QXHNUFRFEZRGSD-OAHLLOKOSA-N 330.771 4.056 5 40 EIBB O=C(O)c1ccc(Oc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 3611750 OBLMPDYQGQXOHY-UHFFFAOYSA-N 328.107 4.392 5 40 EIBB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 4016809 VXOZEHBONIJFQO-PWSUYJOCSA-N 329.183 4.125 5 40 EIBB aggregator CC[C@@H](SC)C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 89941917 LWWGNJCFGJWVLD-MRXNPFEDSA-N 342.416 4.131 5 40 EIBB Cc1ccc(N2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1 4578278 GFKCLQOSJHYJPS-XNTDXEJSSA-N 340.360 4.144 5 40 EIBB CC1(C)[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C=C(Cl)Cl 4712916 JASFOXHVNUFGLY-QPUJVOFHSA-N 329.183 4.125 5 40 EIBB Nc1oc2c(ccc3ccccc32)c(=O)c1-c1nc2ccccc2[nH]1 5020380 KMICTROTAQCLTE-UHFFFAOYSA-N 327.343 4.072 5 40 EIBB Cc1cc(-c2cccc([N+](=O)[O-])c2)oc1C(=O)NC1CCCCC1 9668246 CHQHLGZOUHOEMN-UHFFFAOYSA-N 328.368 4.226 5 40 EIBB O=C(Cc1ccc(Cl)cc1Cl)OCc1ccc([N+](=O)[O-])cc1 3296370 WWYJDQTVQWLUTQ-UHFFFAOYSA-N 340.162 4.188 5 40 EIBB Cc1ccc(OCCCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 8267563 URUNNTNOLAXCSS-UHFFFAOYSA-N 328.368 4.009 5 40 EIBB O=c1[nH]c2nc(C(F)(F)F)cc(-c3ccccn3)c2c2ccccc12 12610351 XAYRGCIAKMRHHU-UHFFFAOYSA-N 341.292 4.157 5 40 EIBB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 14022444 VZRASUPAZDUOKY-QGZVFWFLSA-N 328.368 4.008 5 40 EIBB CCCC(=O)Nc1cc(N2CCCC[C@H]2C)c([N+](=O)[O-])cc1Cl 72229030 IPARATCMBYYBMC-LLVKDONJSA-N 339.823 4.366 5 40 EIBB Cc1cc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1C(C)C 1660371668 ODNWCXATKTWQKH-UHFFFAOYSA-N 349.408 4.103 5 40 EIBB Cc1[nH]c2ccccc2c1[C@H](c1ccc2c(c1)OCO2)[C@H](C)[N+](=O)[O-] 121959 HBTJDPLUCRBUDO-BUXKBTBVSA-N 338.363 4.002 5 40 EIBB CC(=O)c1cc(Cl)ccc1OCC[N+](C)(C)Cc1ccccc1 332344 MIUYUIZEPYYAJZ-UHFFFAOYSA-N 332.851 4.198 5 40 EIBB COc1cccc(-c2csc(Nc3ccccc3[N+](=O)[O-])n2)c1 5570239 KDCQGGWXJQXYKU-UHFFFAOYSA-N 327.365 4.471 5 40 EIBB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 14258293 ZKXZLGKWCDSYRK-UHFFFAOYSA-N 334.759 4.044 5 40 EIBB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 21125701 GXKAKOIDAXAMHB-LBPRGKRZSA-N 348.786 4.271 5 40 EIBB O=[N+]([O-])c1ccc(Cl)c(N=c2[nH]c3ccccc3nc2Cl)c1 408756114 HMMRXIULRJDJHT-UHFFFAOYSA-N 335.150 4.010 5 40 EIBB Cc1cc(OC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc(C)c1Cl 968493 UWZMGVIDUHGFNC-BQYQJAHWSA-N 331.755 4.484 5 40 EIBB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1C 222987301 WEFPPAKEEBPLSN-GOSISDBHSA-N 342.395 4.316 5 40 EIBB CCCC[C@@H](CC)CNC(=O)CSCc1ccc([N+](=O)[O-])cc1 223407695 GNBRSNILVXTMDQ-CQSZACIVSA-N 338.473 4.161 5 40 EIBB COc1ccccc1NC(=O)c1cccc2nc3ccccc3nc12 4814854 OIFHMJBKQGCLSA-UHFFFAOYSA-N 329.359 4.044 5 40 EIBB O=C(Nc1ccc(Cl)cc1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 6623609 GNYWGRHDOOUVKS-UHFFFAOYSA-N 349.749 4.214 5 40 EIBB Cc1ccc([N+](=O)[O-])c(C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c1 500617343 QLMOKXURSWHDGS-QZTJIDSGSA-N 348.402 4.364 5 40 EIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(F)(F)F)cc1 3566717 AFJVSLLMTRKSIW-XCVCLJGOSA-N 336.269 4.266 5 40 EIBB Cc1cc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)c(C)o1 58202204 TXJOKRQYNDELAR-UHFFFAOYSA-N 343.364 4.180 5 40 EIBB c1ccc2c(CNCc3nnc4ccccn34)c3ccccc3cc2c1 39976558 AAWWJDTYLIIKFC-UHFFFAOYSA-N 338.414 4.326 5 40 EIBB CCN(CC)CCn1c2ccccc2c(=O)c2cc(Cl)ccc21 95917943 PEBZPKQLQNGHCL-UHFFFAOYSA-N 328.843 4.150 5 40 EIBB Cc1c(CN[C@@H](C)c2nc(C(F)(F)F)cs2)cccc1[N+](=O)[O-] 390833421 HIAFLQLSNOAELT-VIFPVBQESA-N 345.346 4.229 5 40 EIBB COc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1Cl 408571181 OBLLLFNTOOGLDY-AWEZNQCLSA-N 330.771 4.239 5 40 EIBB COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C)c2C)cc1SC 69433719 JAYMWTBTZHVTAC-UHFFFAOYSA-N 346.408 4.194 5 40 EIBB CCN(CC)C(=O)c1ccc2sc3nc4ccccc4nc3c2c1 408975101 HMPMFQMKNGCYRX-UHFFFAOYSA-N 335.432 4.480 5 40 EIBB O=C(OCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl 571999 NPXPFIBIFBVTJX-UHFFFAOYSA-N 326.135 4.259 5 40 EIBB O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccccc1 4079326 OVMHYRYWJHFDJB-UHFFFAOYSA-N 331.378 4.032 5 40 EIBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)cc1 14602601 ZYPJDYPRFFONDV-INIZCTEOSA-N 332.787 4.438 5 40 EIBB Cc1ccc(Cl)c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc12 4330813 IYYYPCSSRPKDAF-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB O=[N+]([O-])c1ccc2sc(/C=C/c3ccc4c(c3)OCO4)nc2c1 6049162 UBQKBPZRDCTOMV-QHHAFSJGSA-N 326.333 4.104 5 40 EIBB COc1cc(C(=O)Nc2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1 14142151 AHBNATGUTRAVFR-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)NC1CC1 408993854 XHWSEKJUXXFRLE-UHFFFAOYSA-N 334.404 4.282 5 40 EIBB Cc1nc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)oc1-c1ccccc1 1712365 UZEIJUQVHDRPIA-UHFFFAOYSA-N 325.280 4.133 5 40 EIBB OC[C@@H]1CCC[N+]2(Cc3ccc(Cl)c(Cl)c3)CCCC[C@H]12 4083964 HHQCFQRIFDLCHB-ZUIVQFGISA-N 329.291 4.265 5 40 EIBB Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1 44948866 ZVMVNRDLSQMIBQ-LBPRGKRZSA-N 332.787 4.356 5 40 EIBB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc([N+](=O)[O-])c1 222953478 AOWYEBNASDMXRR-INIZCTEOSA-N 328.368 4.008 5 40 EIBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Cl)cc1 3015462 ZQWOIEUBYZHHOM-UHFFFAOYSA-N 333.756 4.110 5 40 EIBB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 32895669 STBGUZLUURNNMY-JTQLQIEISA-N 335.310 4.098 5 40 EIBB Cc1nn(-c2ccccc2)c(C)c1CNc1cccc(F)c1[N+](=O)[O-] 95954774 WPNAASMRAXWOKL-UHFFFAOYSA-N 340.358 4.149 5 40 EIBB O=C(NCc1ccccc1)Nc1cc2cccnc2c2cccnc12 408973942 CVMUUQGYFLXUGB-UHFFFAOYSA-N 328.375 4.105 5 40 EIBB Cc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])c1 36621231 NGSBIKKGKOJOPV-MRXNPFEDSA-N 325.368 4.272 5 40 EIBB C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@H](C)S1 80951428 TZHDHVLXQYXJKG-ZIAGYGMSSA-N 336.460 4.354 5 40 EIBB COP(=O)(OC)[C@H](Nc1ccccc1)c1cccc([N+](=O)[O-])c1 1816291 LOASWEXTTFLOCR-HNNXBMFYSA-N 336.284 4.191 5 40 EIBB O=c1[nH]c(-c2cccc([N+](=O)[O-])c2)nc2scc(-c3ccccc3)c12 73478317 QXDXWWWVVGKBJJ-UHFFFAOYSA-N 349.371 4.227 5 40 EIBB Cc1ccc(Cl)c2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc12 4331297 JDMWXSMJPBDGHI-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB CSc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] 11213973 XPEGBRRBLYWNJQ-KRWDZBQOSA-N 342.420 4.198 5 40 EIBB COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 15583783 XSCGEVIBCBMZSD-UHFFFAOYSA-N 342.376 4.403 5 40 EIBB O=Cc1cc([N+](=O)[O-])ccc1Sc1ccc(Br)cc1 59974291 RJJPYEXRJNAMEA-UHFFFAOYSA-N 338.182 4.321 5 40 EIBB CCCOc1cccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)c1 72228678 IRHOQKXMQIJQQU-UHFFFAOYSA-N 328.368 4.253 5 40 EIBB CCc1ccc(CC)c(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 223639140 BIEXPKWMTAEOAY-UHFFFAOYSA-N 346.814 4.303 5 40 EIBB O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)n[nH]2)c2ccncc12 12764413 YOXPSQLFXJEYCH-UHFFFAOYSA-N 349.375 4.079 5 40 EIBB O=C(CN1CCCCCC1)Nc1ccnc2c1ccc1ccccc12 40384248 YDSJKBUYKMLJHS-UHFFFAOYSA-N 333.435 4.203 5 40 EIBB C[C@H]1C[C@@H](C)CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 13930246 DPRAFSUVXUZUOC-DTORHVGOSA-N 347.293 4.004 5 40 EIBB CN(Cc1cccs1)C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 35122200 KOCIWNLHVNUXNN-UHFFFAOYSA-N 345.207 4.235 5 40 EIBB C[C@@H](c1ccccc1F)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 58166664 CZWAVBYMKZZDHU-ZDUSSCGKSA-N 342.370 4.029 5 40 EIBB Cc1cc(C)cc(NC(=O)CSCc2cccc([N+](=O)[O-])c2)c1 408723773 LFMLTXJTUAKQLX-UHFFFAOYSA-N 330.409 4.084 5 40 EIBB O=C(Cc1cccc([N+](=O)[O-])c1)Sc1nc2ccccc2s1 35254 ZJYJLBUCEKEUDJ-UHFFFAOYSA-N 330.390 4.066 5 40 EIBB O=C(Nc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl 311574 UGOWBSLFCSAXHB-UHFFFAOYSA-N 329.114 4.293 5 40 EIBB Cc1cc(C)cc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])c1 12565217 RFFZQDHPPRDVPB-UHFFFAOYSA-N 327.384 4.042 5 40 EIBB C[N+](C)(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 27987055 ZMYYVGBPSVVFQS-UHFFFAOYSA-N 326.851 4.399 5 40 EIBB Cc1ccc2oc(Nc3nc4ccc([N+](=O)[O-])cc4s3)nc2c1 57352635 GASHGJZCZZOYBV-UHFFFAOYSA-N 326.337 4.398 5 40 EIBB O=[N+]([O-])c1ccc(Oc2ccc(-n3cccn3)cc2)c2ccncc12 77985175 YUTVWIIMXJZHGL-UHFFFAOYSA-N 332.319 4.121 5 40 EIBB O=[N+]([O-])c1ccccc1NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100014263 BAMBRAKLPMTTIS-ROUUACIJSA-N 337.423 4.202 5 40 EIBB O=C(Nc1cnc2ccccc2c1)c1ccc([N+](=O)[O-])cc1Cl 174753 GQBMBLDVWZLMNK-UHFFFAOYSA-N 327.727 4.049 5 40 EIBB COP(=O)(OC)[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 4733724 LYEWFFIVWWQBIQ-OAHLLOKOSA-N 336.284 4.191 5 40 EIBB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1 5510263 JOHGMLSXWNTMFY-UHFFFAOYSA-N 339.178 4.174 5 40 EIBB Cc1nc([N+](=O)[O-])c(SCc2ccccc2)n1Cc1ccccc1 27246761 PSSGKONZBVXISQ-UHFFFAOYSA-N 339.420 4.440 5 40 EIBB O=[N+]([O-])c1ccccc1CN1CCn2cccc2[C@@H]1c1ccccc1 40086095 HUQIJNFZLJYHSP-FQEVSTJZSA-N 333.391 4.002 5 40 EIBB Cc1nn(C)c(NCc2cccc(Oc3ccccc3)c2)c1[N+](=O)[O-] 71811013 UBMJUKAJUPRZOI-UHFFFAOYSA-N 338.367 4.041 5 40 EIBB Cc1c(C)n(-c2ccc(F)cc2)c2cc(Cl)c([N+](=O)[O-])cc2c1=O 72434071 GNAYWMOWCUQMQK-UHFFFAOYSA-N 346.745 4.308 5 40 EIBB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 20457890 XRQITWOWFYNAPG-HNNXBMFYSA-N 342.395 4.234 5 40 EIBB C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1cc2ccccc2o1 52610251 DJOSYVFUKIELDY-NSHDSACASA-N 349.346 4.313 5 40 EIBB COc1cccc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 87234 ZAKDFJPZFUEUFS-UHFFFAOYSA-N 327.258 4.201 5 40 EIBB Cc1ccc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 3592150 WVQBSUDSASTEPZ-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(OC)c(C)c1 225280233 YTZVHYLJLHCYMD-MRXNPFEDSA-N 342.395 4.101 5 40 EIBB [O-][N+]12CCCC[C@@H]1[C@H]1C[C@H](C2)[C@@H]2CCC[C@H](c3ccccc3)N2C1 104004390 ALIOABLFDVSQOG-CCAMKGBSSA-N 326.484 4.099 5 40 EIBB Cc1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)cccc1[N+](=O)[O-] 9141831 HMYQNVCLXXYHHB-UHFFFAOYSA-N 328.412 4.448 5 40 EIBB COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]1c1cccs1 15837644 KZUMQBASFZDQLY-CYBMUJFWSA-N 347.396 4.034 5 40 EIBB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 509018 RRQMALHVPORILF-UHFFFAOYSA-N 342.395 4.353 5 40 EIBB O=[N+]([O-])c1ccc2ncnc(Nc3ccc(Br)cc3)c2c1 4342274 XIVZHKYNZHEAOB-UHFFFAOYSA-N 345.156 4.044 5 40 EIBB CCCOc1ccc([C@@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1OC 4454476 KAUXNPGIAYFZIH-IBGZPJMESA-N 341.363 4.235 5 40 EIBB CC(=O)c1cc(N[C@H](c2ncc(C)s2)C2CC2)ccc1[N+](=O)[O-] 252495836 PCRWNDZJUMCWAD-HNNXBMFYSA-N 331.397 4.126 5 40 EIBB O=C(OCc1cccc([N+](=O)[O-])c1)C1(c2ccccc2F)CCCC1 3309999 YVWZERZISAEKMA-UHFFFAOYSA-N 343.354 4.289 5 40 EIBB Cc1c(NC(=O)CCSCc2ccccc2)cccc1[N+](=O)[O-] 13688103 KOJRBADEXMLJCA-UHFFFAOYSA-N 330.409 4.165 5 40 EIBB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1C 20110507 YMWLOAQRQOWOMC-GOSISDBHSA-N 342.395 4.316 5 40 EIBB CC(C)(C)N1C[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 5105205 WEZHBJDGHRBJML-ROUUACIJSA-N 338.407 4.249 5 40 EIBB C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)c1nnc(-c2ccccc2)o1 7932752 GSZDBRZSVIIVQL-JTQLQIEISA-N 345.742 4.438 5 40 EIBB O=C(OCc1csc([N+](=O)[O-])c1)C1(c2ccc(F)cc2)CCCC1 71821938 ZJQXKCYQJRQFEK-UHFFFAOYSA-N 349.383 4.351 5 40 EIBB Cc1ccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1 1914095 BULGNQDNNPJETE-UHFFFAOYSA-N 342.395 4.318 5 40 EIBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12 2626086 JMBCTSJDCYRMIG-UHFFFAOYSA-N 338.388 4.479 5 40 EIBB CC1CCN(C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC1 5482693 RLYNWFAVPDSNOJ-UHFFFAOYSA-N 340.379 4.259 5 40 EIBB CCc1ccc2c(CC(=O)Nc3cccc([N+](=O)[O-])c3C)coc2c1 23243954 OTCNLGGSFPUVMI-UHFFFAOYSA-N 338.363 4.393 5 40 EIBB CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(C(C)C)cc1 6509099 KRWKQHMXIWNFAT-JXMROGBWSA-N 340.379 4.460 5 40 EIBB O=[N+]([O-])c1cc([C@H]2OCCCN2Cc2ccccc2)ccc1Cl 59489936 QLOLIVHSGBPFLJ-QGZVFWFLSA-N 332.787 4.169 5 40 EIBB Cc1c(C=O)c2ccccc2n1C(=O)c1cc([N+](=O)[O-])ccc1Cl 216960016 XCLJMGCMKJIIBN-UHFFFAOYSA-N 342.738 4.012 5 40 EIBB COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C(C)C)cc1 7922886 RFCGCYXCOFXNIF-SFHVURJKSA-N 342.395 4.039 5 40 EIBB Cc1cc([N+](=O)[O-])sc1N1CCC(c2nc3ccccc3[nH]2)CC1 65514624 CFAYBGZVKPXXRT-UHFFFAOYSA-N 342.424 4.225 5 40 EIBB CCC[C@@]1(CO)CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 290589078 JYWWWABJZHXZCG-JOCHJYFZSA-N 348.446 4.013 5 40 EIBB O=C(COc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2ccccc2)cc1 38551 KSDSTQQUCWYLOH-UHFFFAOYSA-N 349.342 4.246 5 40 EIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccc(C)c1OC 72228755 NDKLGBHISHYUDZ-UHFFFAOYSA-N 328.368 4.035 5 40 EIBB CCCC[C@H](CC)CNC(=O)CSCc1ccc([N+](=O)[O-])cc1 223407749 GNBRSNILVXTMDQ-AWEZNQCLSA-N 338.473 4.161 5 40 EIBB CC(C)(C)c1ccc(CC[C@H]2OC[C@H](C[N+]3(C)CCCCC3)O2)cc1 202510 DWPLDLNFZDPPMG-SFTDATJTSA-N 346.535 4.289 5 40 EIBB Clc1ccccc1-c1nc2sc3nc4ccccc4nc3n2n1 1051675 DMNNXEMBWTXZCO-UHFFFAOYSA-N 337.795 4.208 5 40 EIBB O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 7155733 UNGSCWIBSOOVLG-VZUCSPMQSA-N 335.146 4.394 5 40 EIBB Cc1c(CSc2nc3cc(F)c(F)cc3[nH]2)cccc1[N+](=O)[O-] 58342032 BHXWDIAKOORQQU-UHFFFAOYSA-N 335.335 4.350 5 40 EIBB O=C(Nc1ccc(F)c(Cl)c1)c1coc2ccc([N+](=O)[O-])cc12 165284216 SJGJNWOQUJKVNK-UHFFFAOYSA-N 334.690 4.386 5 40 EIBB CC(C)Oc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 408574033 HOBDWFVGCJFOMG-UHFFFAOYSA-N 334.759 4.288 5 40 EIBB O=C(O)c1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2s1 5949205 IISNEBYPPCWGOO-UHFFFAOYSA-N 332.362 4.054 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 8286405 SKSWCLVRQOKYKD-UHFFFAOYSA-N 348.358 4.426 5 40 EIBB O=[N+]([O-])c1ccc([C@@H]2[C@H]3C(c4ccccc4)=NC4(CCCC4)N32)cc1 20289149 SLIMGDFBHBKUFV-IERKJGKXSA-N 333.391 4.093 5 40 EIBB C[C@H]1CCCCN1Cc1ccc(Nc2ncccc2[N+](=O)[O-])cc1 40119607 HRAUREYCDQVQGB-AWEZNQCLSA-N 326.400 4.108 5 40 EIBB C[N+](C)(C)CCCOC1=Nc2ccccc2O/C1=C\c1ccccc1 16245289 MHUOZJMODBEIMS-SILNSSARSA-N 337.443 4.263 5 40 EIBB C/C=C/c1ccc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c(OC)c1 16903834 FYXNLJAAPMAGPY-ONEGZZNKSA-N 339.351 4.092 5 40 EIBB Cc1ccccc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 216435312 FBWBOJGYUVYXRN-FQEVSTJZSA-N 346.386 4.423 5 40 EIBB O=[N+]([O-])c1ccc(-c2cn3nc(-c4ccccc4F)sc3n2)cc1 4678749 NDTKPRFEOZHLQE-UHFFFAOYSA-N 340.339 4.172 5 40 EIBB CCN(CC)c1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 5794950 MRENQEZZADGQNK-UHFFFAOYSA-N 347.802 4.347 5 40 EIBB O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 11201309 LEXTZQUYPJMPFI-INIZCTEOSA-N 330.771 4.129 5 40 EIBB CCc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 78457633 YMPULHMYQDQIMH-LLVKDONJSA-N 332.787 4.302 5 40 EIBB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 5105918 UKGJFCGRUXRPKB-JTQLQIEISA-N 336.800 4.368 5 40 EIBB CC[C@H](C)c1ccccc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 569029 SXPZZGGNELOGPL-LBPRGKRZSA-N 328.368 4.369 5 40 EIBB CC[C@@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccc(OC)cc1 8204493 BMNDSFFBTAIFLV-MRXNPFEDSA-N 328.368 4.369 5 40 EIBB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 216471321 GALDNDWPMZLJPD-OAHLLOKOSA-N 334.759 4.044 5 40 EIBB Cc1ccccc1N1C(=O)S/C(=C\c2ccccc2[N+](=O)[O-])C1=O 12289129 GBGMFGZHKWNELE-GDNBJRDFSA-N 340.360 4.144 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 44904410 JXPPSXTZHKCRRH-AWEZNQCLSA-N 342.395 4.433 5 40 EIBB O=C(N[C@@H](c1cccs1)C1CCCC1)c1csc([N+](=O)[O-])c1 84436933 KTVNHWMJQOBMFG-CQSZACIVSA-N 336.438 4.379 5 40 EIBB COc1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2OCCC[C@H]12 409189969 OQNSZNOZLURBBJ-MDASCCDHSA-N 340.379 4.238 5 40 EIBB O=[N+]([O-])c1cc2c(cc1/C=C/c1nc3ccccc3s1)OCO2 6507644 DOGCLAIHPXMKMW-AATRIKPKSA-N 326.333 4.104 5 40 EIBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OC(F)F 6656556 BRHIUQZDEOJJPJ-FNORWQNLSA-N 340.282 4.062 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NCc1ccc(Br)cc1F 8189740 FBLRAVUGRARWSW-UHFFFAOYSA-N 339.164 4.417 5 40 EIBB O=C(Oc1cccc([N+](=O)[O-])c1)c1ccccc1OCc1ccccc1 24684719 KLUVCBSBEDVRGV-UHFFFAOYSA-N 349.342 4.393 5 40 EIBB CC(C)c1n[nH]c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 22420391 SEZORXNRTNLXLZ-UHFFFAOYSA-N 332.307 4.006 5 40 EIBB O=C(Oc1cccc2cccnc12)c1cc([N+](=O)[O-])ccc1Cl 68144 JDHHWQOTMUBCNC-UHFFFAOYSA-N 328.711 4.016 5 40 EIBB O=C(OCc1nc2ccccc2s1)c1cc(Cl)ccc1[N+](=O)[O-] 4072660 AGPAJWUIFARGOP-UHFFFAOYSA-N 348.767 4.215 5 40 EIBB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 4176773 QTQWBCILERBQHP-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB CO[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 40051151 GZILJAGCXHFHKQ-HNNXBMFYSA-N 340.301 4.413 5 40 EIBB CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(C)cc1 44085521 FSHYKYZMDHNEPI-UHFFFAOYSA-N 325.393 4.478 5 40 EIBB Cc1ccc(OCCNc2nc3ccc([N+](=O)[O-])cc3s2)cc1C 59461244 QOWKOPNFDOAILR-UHFFFAOYSA-N 343.408 4.312 5 40 EIBB O=C(Nc1ccc(Oc2ncccc2[N+](=O)[O-])cc1)c1ccsc1 69771590 GWLYUQAMUJHYDG-UHFFFAOYSA-N 341.348 4.096 5 40 EIBB O=c1oc(-c2cc([N+](=O)[O-])ccc2Cl)nc2cc(Cl)ccc12 89156 IXLZTBLUUBPNGL-UHFFFAOYSA-N 337.118 4.070 5 40 EIBB Cc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 72229021 WNCFJHSVDPFAKH-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1cccc([N+](=O)[O-])c1 8257622 PJOAKDQWDXMNNN-SNVBAGLBSA-N 330.413 4.252 5 40 EIBB CCCOc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 408586128 LHWFJCNYELWNDH-UHFFFAOYSA-N 334.759 4.289 5 40 EIBB O=C(Nc1cc(Cl)cc(Cl)c1)c1c(F)ccc([N+](=O)[O-])c1F 165794 QSOTVEYENNHNQD-UHFFFAOYSA-N 347.104 4.432 5 40 EIBB CC(C)c1nc2oc3ccccc3c(=O)c2c2nc3ccccc3n12 5206346 FPILZIAMQYKFKY-UHFFFAOYSA-N 329.359 4.266 5 40 EIBB O=[N+]([O-])c1ccccc1CN1CCC[C@H](c2nc3ccccc3o2)C1 29826074 IBDKRXAWMLXLFT-HNNXBMFYSA-N 337.379 4.116 5 40 EIBB Cc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] 3603143 SSCXKSAROHQNLK-UHFFFAOYSA-N 339.178 4.140 5 40 EIBB CCNc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] 5939492 CWWNPEXMXZFWJJ-UHFFFAOYSA-N 333.775 4.241 5 40 EIBB O=[N+]([O-])c1cccc(OCc2csc(-c3ccc(F)cc3)n2)c1 25393625 DKOJQLRXUHRAOI-UHFFFAOYSA-N 330.340 4.436 5 40 EIBB C[N+](C)(C)CCCOC1=Nc2ccccc2O/C1=C/c1ccccc1 1849746 MHUOZJMODBEIMS-CAPFRKAQSA-N 337.443 4.263 5 40 EIBB Cc1ccc(Oc2ccc(Oc3c([N+](=O)[O-])ncn3C)cc2)cc1 24834649 RMBWCRODCXYYPK-UHFFFAOYSA-N 325.324 4.221 5 40 EIBB Cc1cccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)c1 428482 DXXLALKCUQIVCO-UHFFFAOYSA-N 344.370 4.210 5 40 EIBB Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 5618330 VDAZPMLPURDMOS-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB O=[N+]([O-])c1ccc(NCCCOC2CCCCC2)c2ncccc12 24059528 MCHRCIQHMLQUDZ-UHFFFAOYSA-N 329.400 4.294 5 40 EIBB O=[N+]([O-])c1ccc(CN2CCC(c3cc4ccccc4[nH]3)CC2)cc1 65966278 PHHXFOVCRPBIHY-UHFFFAOYSA-N 335.407 4.456 5 40 EIBB COc1c(NC(=O)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-] 1739857 UFFFFOKYJJPGGA-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB CC(C)Nc1nnc(Sc2ccc(Cl)cc2[N+](=O)[O-])s1 3416881 LCTCUPLYBJWMPU-UHFFFAOYSA-N 330.822 4.071 5 40 EIBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(Cl)cc(Cl)c1 5717234 DBEHNFBHNPUAML-UHFFFAOYSA-N 325.151 4.083 5 40 EIBB Cc1cc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(C)c1Cl 14397772 UFPNCXDBDRKKGM-LBPRGKRZSA-N 348.786 4.271 5 40 EIBB CSc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1[N+](=O)[O-] 11213992 XPEGBRRBLYWNJQ-QGZVFWFLSA-N 342.420 4.198 5 40 EIBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCc2ccccn2)cc1 31752814 OYSBWFLZOFLYED-UHFFFAOYSA-N 336.347 4.244 5 40 EIBB CO[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 40051152 GZILJAGCXHFHKQ-OAHLLOKOSA-N 340.301 4.413 5 40 EIBB Cc1ccc(-c2cnc(NCc3cccc([N+](=O)[O-])c3)n2C)cc1C 4678759 ZARKAMRUPNIUOQ-UHFFFAOYSA-N 336.395 4.224 5 40 EIBB O=[N+]([O-])c1ccc(Oc2nc3ccccc3nc2C(F)(F)F)cc1 1401713 KAQJBKIJZIPEKC-UHFFFAOYSA-N 335.241 4.349 5 40 EIBB O=C(OC1(CC2=CCCCC2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2191339 SZBQXNMJTWIJOK-UHFFFAOYSA-N 346.339 4.083 5 40 EIBB Cc1sc(NC(=O)c2ccc([N+](=O)[O-])o2)nc1-c1ccc(F)cc1 20461755 FQHYAHVNCKJTRP-UHFFFAOYSA-N 347.327 4.011 5 40 EIBB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 44845312 PGOVPYPGIXBOPV-QGZVFWFLSA-N 342.395 4.316 5 40 EIBB Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 8687968 UCNNLUFXUJQOTI-UHFFFAOYSA-N 343.166 4.063 5 40 EIBB O=c1[nH]c2nc(C(F)(F)F)cc(-c3ccncc3)c2c2ccccc12 12610355 NZCGCLGNWNFAKI-UHFFFAOYSA-N 341.292 4.157 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1OCc1ccccc1 60514270 BQDLGOPUBVHDSX-UHFFFAOYSA-N 348.358 4.426 5 40 EIBB CC(C)Cn1cc(NC(=O)c2cc3ccccc3c3cccnc23)cn1 81280292 IYYPFBBFIYUCML-UHFFFAOYSA-N 344.418 4.493 5 40 EIBB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 10542762 OOQVGJAPHIHECR-GFCCVEGCSA-N 332.787 4.356 5 40 EIBB Cc1ccc(Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1Cl 17147454 SFAKLVLAQFXUFC-UHFFFAOYSA-N 330.727 4.407 5 40 EIBB CC(C)[C@@H](C)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 225185440 RLRGVXRYLFWLSV-DQPIFXJKSA-N 338.407 4.296 5 40 EIBB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C 223396032 LQEWWYATVISJDE-HNNXBMFYSA-N 326.396 4.319 5 40 EIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(C)(C)C)cc1 265939 JOSZXXKYMLQYSJ-UHFFFAOYSA-N 328.368 4.153 5 40 EIBB O=C(OCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])s1 3269933 KRIYPTMICJJFJI-UHFFFAOYSA-N 332.164 4.320 5 40 EIBB CC(C)(C)c1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2)cc1 3291971 RUJVJCGEUWCKDV-UHFFFAOYSA-N 337.375 4.360 5 40 EIBB Cc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1[N+](=O)[O-] 6278673 KEROLTVGWPKJOH-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)SCc1ccccc1 22904314 DHDWNRUOBZIPMT-CYBMUJFWSA-N 330.409 4.164 5 40 EIBB O=[N+]([O-])c1ccc(N2CCc3[nH]c4ccc(Cl)cc4c3C2)s1 64029676 YEZWLFFBXQOFGO-UHFFFAOYSA-N 333.800 4.354 5 40 EIBB CCCCCCC(C)(C)NCCOC(=O)c1ccc([N+](=O)[O-])cc1 1710558 FODSYNIGUBMRTD-UHFFFAOYSA-N 336.432 4.090 5 40 EIBB CC[N+](C)(CC)CC(C)(C)COC(=O)c1oc2ccccc2c1C 1829851 PPRBVDSNBDMPES-UHFFFAOYSA-N 332.464 4.411 5 40 EIBB C[C@H]1CCCCN1c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 14268982 HWLKJZMXWFOZLC-AWEZNQCLSA-N 339.395 4.226 5 40 EIBB C[C@H]1C[C@@H](C)CN(c2c(Cl)cc([N+](=O)[O-])cc2Br)C1 226316648 AVLXVPWEBRTLEK-DTORHVGOSA-N 347.640 4.493 5 40 EIBB O=[N+]([O-])c1ccc(NCCNCc2c(Cl)cccc2Cl)cc1 8417997 HTIPFNMIXRLHPA-UHFFFAOYSA-N 340.210 4.103 5 40 EIBB CCOc1cc(NCc2ccc(OC)cc2)c([N+](=O)[O-])cc1OCC 9220538 XKRZOHABZBEZIZ-UHFFFAOYSA-N 346.383 4.013 5 40 EIBB CCn1c(S[C@@H](C)c2cccc([N+](=O)[O-])c2)nnc1-c1ccco1 12688476 RZGAKMWKCAPQGB-NSHDSACASA-N 344.396 4.320 5 40 EIBB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl 40069856 FPSLVTSUOSFGES-LLVKDONJSA-N 348.786 4.090 5 40 EIBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(Br)cc1 45888850 OLPDIFHNQGIEFY-UHFFFAOYSA-N 349.184 4.226 5 40 EIBB Cc1cccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1[N+](=O)[O-] 40510902 CUFMDGHVLOHICG-UHFFFAOYSA-N 337.335 4.174 5 40 EIBB O=[N+]([O-])c1ccc(NCCc2cccc(Cl)c2)c2ccncc12 69447937 MGFRORDZKMASBX-UHFFFAOYSA-N 327.771 4.451 5 40 EIBB O=C(O)c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 216853928 AVANCNIHHAMDNZ-UHFFFAOYSA-N 342.134 4.179 5 40 EIBB CC[C@H](C)[C@H](C(=O)OCCC[N+]1(C)CCCCC1)c1ccccc1 1726480 HCEGVHWGWQUIJQ-ICSRJNTNSA-N 332.508 4.380 5 40 EIBB C[C@@H](c1ccccc1)c1ccc(C(=O)O[C@H](C)CC[N+](C)(C)C)o1 1906518 FGPQKYITWNJHON-CVEARBPZSA-N 330.448 4.073 5 40 EIBB biogenic Cc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1[N+](=O)[O-] 4902465 XUZBTOFGMISCPX-UHFFFAOYSA-N 339.395 4.146 5 40 EIBB CC(C)Oc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 5644347 QIDQCXKGJPZELX-UHFFFAOYSA-N 334.759 4.288 5 40 EIBB O=C(CSc1ccsc1[N+](=O)[O-])Nc1cc(Cl)ccc1F 32933515 VVARUEKFTVDFCA-UHFFFAOYSA-N 346.792 4.180 5 40 EIBB CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H](c1ccc(F)cc1)C1CC1 72307712 BPECOGDOTUEIGU-CYBMUJFWSA-N 346.387 4.031 5 40 EIBB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cccc([N+](=O)[O-])c1 216467566 GNCNQKYHKQJTHW-MRXNPFEDSA-N 328.368 4.008 5 40 EIBB O=c1c(Cl)c2oc3ccc([N+](=O)[O-])cc3nc-2c(Cl)c1Cl 4750939 JJWBORSJJGVQCB-UHFFFAOYSA-N 345.525 4.161 5 40 EIBB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C 14013318 VXKKBKIFIPEXGA-QGZVFWFLSA-N 328.368 4.008 5 40 EIBB CC1CCN(c2c(Br)cc(Cl)cc2[N+](=O)[O-])CC1 45886186 GSQJYFGCTHBXTC-UHFFFAOYSA-N 333.613 4.247 5 40 EIBB CC1(C)[C@]2(C)CC[C@]1(C(=O)O)c1nc3cc4ccccc4cc3nc12 103674081 RCDMZQUGLGNBCM-NHCUHLMSSA-N 332.403 4.197 5 40 EIBB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 222957286 GDKUQIWRUGNNAG-QGZVFWFLSA-N 342.395 4.316 5 40 EIBB Cc1c(Cl)cccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 225991001 INCPJDRSTBJDLM-UHFFFAOYSA-N 330.771 4.227 5 40 EIBB COc1cc(Cl)cc2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)oc12 9239544 XWSSDNXPXAMBHJ-UHFFFAOYSA-N 331.711 4.030 5 40 EIBB Cc1cc2occ(CC(=O)Nc3ccccc3[N+](=O)[O-])c2cc1Cl 39892821 MWOUGDHHZYAIAG-UHFFFAOYSA-N 344.754 4.484 5 40 EIBB Cc1c(C(=O)NCc2ccccc2[N+](=O)[O-])sc2ccccc12 48363934 SUHRJNLAZJVEOM-UHFFFAOYSA-N 326.377 4.048 5 40 EIBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cccc2ccccc12 70863 AYCUKPGGQFHGHR-LDADJPATSA-N 344.326 4.093 5 40 EIBB Cc1cc(C)c([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1C 223394383 QTSASKAXXBSYJO-HNNXBMFYSA-N 326.396 4.319 5 40 EIBB O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2ccncc2)o1 244855 HKSVCGTUACNKNU-UHFFFAOYSA-N 341.326 4.058 5 40 EIBB Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)n1C1CC1 3395003 YPIUGTGELDRIDS-UHFFFAOYSA-N 348.786 4.263 5 40 EIBB O=[N+]([O-])c1ccc(Nc2ccc(N3CCCC3)cc2)c2ccncc12 12557628 CFGIJXWBUAGMFO-UHFFFAOYSA-N 334.379 4.487 5 40 EIBB CN1C=C(c2ccc3ccccc3n2)[C@H](C[N+](=O)[O-])c2ccccc21 173009 OBLCUUGXPIDEBD-MRXNPFEDSA-N 331.375 4.086 5 40 EIBB Brc1c(Br)c2cccnc2c2ncccc12 95830602 DIBSWPVSJWETQC-UHFFFAOYSA-N 338.002 4.308 5 40 EIBB O=C(Nc1ccc(OC2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 10542598 ZYOHGSKKEAGQQQ-UHFFFAOYSA-N 326.352 4.169 5 40 EIBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc2c(F)cccc2s1 12792758 VREJOWPNPVFLMD-UHFFFAOYSA-N 334.303 4.340 5 40 EIBB CCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 25877099 PXBIWXPDSRAJFA-NSHDSACASA-N 348.786 4.138 5 40 EIBB O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(c2ccccc2)CC1 48317833 OMXXAFUXCVAONN-UHFFFAOYSA-N 349.390 4.096 5 40 EIBB CN(Cc1ccc2ccccc2c1)c1nc2sccn2c1[N+](=O)[O-] 8337410 BBFXKTMKOWZEGJ-UHFFFAOYSA-N 338.392 4.094 5 40 EIBB C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2S1 12882981 ZQDNWAAAFXLLMQ-LBPRGKRZSA-N 328.393 4.126 5 40 EIBB CC(C)C(=O)Nc1cccc(CNc2ccc([N+](=O)[O-])cc2Cl)c1 24211275 BYEFPQGQCYACTN-UHFFFAOYSA-N 347.802 4.455 5 40 EIBB Cc1cc(C)cc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)c1 4981552 BVYFPLSYRJWEKR-UHFFFAOYSA-N 338.323 4.412 5 40 EIBB CCc1ccc(OCC(=O)Nc2c(C)cc([N+](=O)[O-])cc2CC)cc1 72228783 RTIBTEHSRBSQBU-UHFFFAOYSA-N 342.395 4.046 5 40 EIBB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 225741770 SJZTYWLTLIJXPN-AWEZNQCLSA-N 342.395 4.433 5 40 EIBB O=[N+]([O-])c1ccccc1-c1nnc(-c2ccc(Br)cc2)o1 54850 YBNSIWMYUQEZJF-UHFFFAOYSA-N 346.140 4.074 5 40 EIBB Cc1[nH]c2ccccc2c1[C@@H](c1ccc2c(c1)OCO2)[C@@H](C)[N+](=O)[O-] 121948 HBTJDPLUCRBUDO-CWTRNNRKSA-N 338.363 4.002 5 40 EIBB O=C(/N=c1/[nH]c2ccc3ccccc3c2s1)c1cccc([N+](=O)[O-])c1 1506181 WAQYVSAMOUPTAV-UHFFFAOYSA-N 349.371 4.032 5 40 EIBB O=c1cc(CSc2nncs2)c2c(ccc3ccccc32)o1 3413104 NFIGAAKRHGEVNM-UHFFFAOYSA-N 326.402 4.090 5 40 EIBB Cc1ccc(NC(=O)CSc2ccc(Cl)cc2)c([N+](=O)[O-])c1 4673220 PWKAONGGBRQFEV-UHFFFAOYSA-N 336.800 4.287 5 40 EIBB Cc1nc(N(C)c2ccccc2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] 4718404 GWCKHRSBVLDOSV-UHFFFAOYSA-N 349.394 4.229 5 40 EIBB Cc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)ccc1[N+](=O)[O-] 83245 KEPANEPMAYJAKA-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C 223395970 LQEWWYATVISJDE-OAHLLOKOSA-N 326.396 4.319 5 40 EIBB O=[N+]([O-])c1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 226248627 DPIXDIJAATVZJN-UHFFFAOYSA-N 330.168 4.099 5 40 EIBB Cc1ccc(Oc2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])c2c1CCC2 163546 HGKCAEOXQBCCPP-JXMROGBWSA-N 339.347 4.282 5 40 EIBB O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1Nc1ccc(Cl)cc1 4981613 BHBOAODLVRLIEM-UHFFFAOYSA-N 344.714 4.448 5 40 EIBB C[N+]12CCCC[C@@H]1[C@H](COc1ccccc1Br)CCC2 5748886 SEPYUZLOJMQPCJ-FSGMKPHLSA-N 339.297 4.237 5 40 EIBB biogenic,in-vitro CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 7080084 STPVIXJMXMAZHG-AWEZNQCLSA-N 342.395 4.434 5 40 EIBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)C)cc1 10111724 ZZNUGDDBLRETMJ-CYBMUJFWSA-N 326.396 4.383 5 40 EIBB O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H]1c1ccsc1 48323428 QFIHVPVXNVEGAT-AWEZNQCLSA-N 341.392 4.115 5 40 EIBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Cl)s1 3199176 TYZSWUZLNMKCFS-UHFFFAOYSA-N 339.785 4.172 5 40 EIBB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 44845307 PGOVPYPGIXBOPV-KRWDZBQOSA-N 342.395 4.316 5 40 EIBB Cc1ccc(OCCNc2ccc([N+](=O)[O-])c3cccnc23)cc1C 59463911 PWLKLFYYKNVNRN-UHFFFAOYSA-N 337.379 4.251 5 40 EIBB COc1ccc(Cl)cc1NC(=O)c1coc2ccc([N+](=O)[O-])cc12 408963863 AMTDXHARJOXZDZ-UHFFFAOYSA-N 346.726 4.255 5 40 EIBB CCCCN(Cc1ccccc1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 4699346 VCZOWHAKXSZERP-UHFFFAOYSA-N 342.395 4.046 5 40 EIBB O=C(O)/C=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 12370928 SMDXKQQBZBHRFO-WAPJZHGLSA-N 335.768 4.497 5 40 EIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nccn1C1CC1 14322339 QUAWTNUXPHWJBA-UHFFFAOYSA-N 329.303 4.296 5 40 EIBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 29240081 RMGIZPNJMXPCMC-SNVBAGLBSA-N 338.285 4.105 5 40 EIBB CCCOc1ccccc1[C@@H](CC(C)C)Nc1c([N+](=O)[O-])ncn1C 76092861 MSTUDGIPFUWVMF-OAHLLOKOSA-N 346.431 4.316 5 40 EIBB O=[N+]([O-])C[C@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12 3296751 WBEZFUUESLEDAL-OAHLLOKOSA-N 345.196 4.339 5 40 EIBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 6526553 MYORGNGVTSIEIU-UHFFFAOYSA-N 326.135 4.259 5 40 EIBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCCCCC1 32968988 SPRBQTBRSXQXAI-UHFFFAOYSA-N 328.368 4.261 5 40 EIBB O=S(=O)(Nc1ccnc2c1ccc1ccccc12)c1ccccc1 40384233 ZKMOLRTVWLTHNP-UHFFFAOYSA-N 334.400 4.189 5 40 EIBB CC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)c(C)c1 223653898 TYDMSYCINNIKPF-INIZCTEOSA-N 342.395 4.101 5 40 EIBB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(C[N+](=O)[O-])=CC[C@@]43C)[C@@H]1CCC2=O 3849800 ZINUHMYIMBDCGQ-BGZMIMFDSA-N 331.456 4.411 5 40 EIBB biogenic O=C1CCCN1c1cccc(Nc2ccc([N+](=O)[O-])cc2Cl)c1 26710514 YCMRKOZULFYNBY-UHFFFAOYSA-N 331.759 4.119 5 40 EIBB C[C@H]1CCCCN1CCCCNc1ccc([N+](=O)[O-])c2cccnc12 71811038 QSEVNZYPMDTJOJ-HNNXBMFYSA-N 342.443 4.210 5 40 EIBB Cc1c(C(=O)Nc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] 311671 JUFLZPLFWFSJEX-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB COc1cccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c1 3414899 MDWQMMOJGYZLBP-UHFFFAOYSA-N 337.788 4.066 5 40 EIBB Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1-c1ccccc1 31968399 COFVSOGWRCMGIW-UHFFFAOYSA-N 339.376 4.279 5 40 EIBB O=[N+]([O-])c1cccc(CN2CCC(c3cc4ccccc4[nH]3)CC2)c1 58392330 VKCHAJKXGJRKJN-UHFFFAOYSA-N 335.407 4.456 5 40 EIBB CCO[P@@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 1719956 DSCQFSLITRQSPU-JOCHJYFZSA-N 341.687 4.182 5 40 EIBB COc1ccc(NC(=O)c2cccc3nc4ccccc4nc23)cc1 5024854 GBSJVYULTMGCJP-UHFFFAOYSA-N 329.359 4.044 5 40 EIBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccccc1O 3510695 BIAUQPCOANZMHR-UHFFFAOYSA-N 346.338 4.009 5 40 EIBB O=C(OCc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccco1 5945219 XMDDVCBRFXCNDW-UHFFFAOYSA-N 347.710 4.458 5 40 EIBB CCCCCCOC(=O)c1ccc(Nc2[nH]nc(C)c2[N+](=O)[O-])cc1 6077865 VJGDVCUSUGVPCX-UHFFFAOYSA-N 346.387 4.107 5 40 EIBB C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 18174115 UCXRQPCTIHGZES-NSHDSACASA-N 325.324 4.224 5 40 EIBB O=[N+]([O-])c1ccccc1CNc1ncnc2sc3c(c12)CCCC3 71811101 LWSXXLPFYWTODP-UHFFFAOYSA-N 340.408 4.090 5 40 EIBB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 8987540 GEMCIBKWMRHWCL-SECBINFHSA-N 347.421 4.099 5 40 EIBB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc([N+](=O)[O-])cc1 27123806 WPAXIUVOQCZSTF-UHFFFAOYSA-N 345.405 4.341 5 40 EIBB O=[N+]([O-])c1cccc(CNC2(c3ccc(Cl)cc3)CCOCC2)c1 69563184 JYENHNYJBACASO-UHFFFAOYSA-N 346.814 4.044 5 40 EIBB Cc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1C 223394726 FQDHEZAKWVZPNE-OJXHRBAXSA-N 338.407 4.411 5 40 EIBB Cc1ccc([C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)cc1 11233868 XSEIRTXJDWZLTC-QGZVFWFLSA-N 344.798 4.438 5 40 EIBB C[C@@H](NC(=O)N(C)Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 58175551 XGIJYYIORDVTOV-GFCCVEGCSA-N 347.802 4.151 5 40 EIBB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-] 293842 IYYWQCLZZKGSOQ-UHFFFAOYSA-N 336.347 4.399 5 40 EIBB CC(=O)Nc1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1 5155752 HEVATPFVMRQJIX-YRNVUSSQSA-N 333.347 4.272 5 40 EIBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCCc2ccccc21 17068159 RLUXHBQUUZZUDE-UHFFFAOYSA-N 331.759 4.233 5 40 EIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCc1ccc(Cl)cc1 217887295 XTQXRCBQOFUYKE-DHZHZOJOSA-N 344.798 4.010 5 40 EIBB O=[N+]([O-])c1ccccc1Oc1ncnc2sc3c(c12)CCCC3 942659 GPOIBHLQOOIFKH-UHFFFAOYSA-N 327.365 4.271 5 40 EIBB C[C@H]1CCCCN1c1cc(N2CCCC[C@H]2C)c([N+](=O)[O-])cc1C=O 408976529 RWTVGFFGMXVUHR-LSDHHAIUSA-N 345.443 4.165 5 40 EIBB C[C@@H]1CCC[C@H](Nc2nc3cc(C(=O)O)ccc3c3cnccc23)C1 1529084305 HRYCOABRALLKFO-OCCSQVGLSA-N 335.407 4.472 5 40 EIBB CCOc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 25877095 PXBIWXPDSRAJFA-LLVKDONJSA-N 348.786 4.138 5 40 EIBB O=[N+]([O-])c1ccccc1CN1CCC(c2cc3ccccc3[nH]2)CC1 58345099 ZEZKHKOGPRACQV-UHFFFAOYSA-N 335.407 4.456 5 40 EIBB Cc1ccccc1OCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F 59475457 MBXXVXOTOGWEBU-UHFFFAOYSA-N 340.301 4.413 5 40 EIBB CCCC(=O)Nc1cc(N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1Cl 72229029 IPARATCMBYYBMC-NSHDSACASA-N 339.823 4.366 5 40 EIBB Cc1c(Cl)ccc2sc(NC(=O)c3ccc([N+](=O)[O-])o3)nc12 2723860 LUHDHFVEMGEDRY-UHFFFAOYSA-N 337.744 4.012 5 40 EIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)cc(Cl)c1 4070508 NTDBYUPAOBBOIH-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB COc1ccc(CN(C2CC2)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] 65951542 MYUBXSRHDQGDJR-GOSISDBHSA-N 338.407 4.255 5 40 EIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1cccc(C)c1C 72228809 WFMQXSHEICSZHH-UHFFFAOYSA-N 342.395 4.100 5 40 EIBB CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(C)c(C)c1 218161043 AVZMKDYKUNSFTJ-QGZVFWFLSA-N 326.396 4.022 5 40 EIBB Cc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3C)sc2c1 138460 YHDNXFHTEPBCOK-UHFFFAOYSA-N 327.365 4.074 5 40 EIBB CCN(C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1cccc(O)c1 70039239 XKSNXXFTNGCVQC-ZDUSSCGKSA-N 343.383 4.224 5 40 EIBB O=[N+]([O-])c1ccc(-c2csc(N3CCc4ccccc4C3)n2)cc1 33466 OEDLAFZNROBKDF-UHFFFAOYSA-N 337.404 4.281 5 40 EIBB biogenic,in-vitro CC[N+](C)(CC)CCN[C@H](c1ccccc1)C(Cl)(Cl)Cl 5885900 AHXANNDLCSDYGK-CQSZACIVSA-N 338.730 4.174 5 40 EIBB O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1 12556099 SVFMUOWUTYPNMO-UHFFFAOYSA-N 333.775 4.079 5 40 EIBB CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1cc(C)ccc1OC 1754256 GJKNQYKIDAJLAY-UHFFFAOYSA-N 343.383 4.279 5 40 EIBB O=[N+]([O-])c1c(Oc2ccc(Oc3ccccn3)cc2)nc2ccccn12 58393527 GTRWTAXCXOSDTQ-UHFFFAOYSA-N 348.318 4.222 5 40 EIBB CCOc1ccc(C(=O)N[C@@H](c2cccs2)C(C)C)cc1[N+](=O)[O-] 7122028 SCVBXBXLUFPUCN-MRXNPFEDSA-N 348.424 4.182 5 40 EIBB COc1ccc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)c(OC)c1 8321790 UYAOSQBHTBXVFG-SOFGYWHQSA-N 336.347 4.331 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCSc2ccc(F)cc21 12983537 GSLJBEJNDUPLKK-CQSZACIVSA-N 347.371 4.093 5 40 EIBB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 14258296 XJWXLPGNWZLDMA-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB Cc1cccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3)o2)c1 19927449 DCRQOQAZJOQGBN-UHFFFAOYSA-N 327.365 4.246 5 40 EIBB Cc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C 59351115 SYTXBWZMZCIGOI-GFCCVEGCSA-N 332.787 4.356 5 40 EIBB O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]1c1ccc(Cl)cc1 89780816 KLTRDCMDMJJLCG-QGZVFWFLSA-N 344.798 4.154 5 40 EIBB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc([N+](=O)[O-])c1C 222957615 QFRKAEAUWXPHDH-KRWDZBQOSA-N 342.395 4.316 5 40 EIBB COc1cc(F)ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 25310377 QVBXNLRUUGLWRZ-UHFFFAOYSA-N 346.339 4.210 5 40 EIBB O=C(NCc1ccc2ccccc2c1)c1cc([N+](=O)[O-])ccc1Cl 222750171 AWJRHJWJTHFYQI-UHFFFAOYSA-N 340.766 4.331 5 40 EIBB O=[N+]([O-])c1ccc(-c2cn3c(n2)CCc2ccc4cccnc4c2-3)cc1 5072387 UBKYJQGCYLXTET-UHFFFAOYSA-N 342.358 4.094 5 40 EIBB CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2[nH]c(C)cc2c1 225555649 SYZXEOPTTSWRLP-UHFFFAOYSA-N 339.351 4.036 5 40 EIBB COc1cc(-c2cc(C(=O)O)c3c(ccc4ccccc43)n2)ccc1O 184093 FVBGZRWNOCCQRK-UHFFFAOYSA-N 345.354 4.467 5 40 EIBB COc1ccc2c(C)[n+]3ccc4cc(OC)c(OC)cc4c3cc2c1 1669233 KZRHIDUVDRMDNO-UHFFFAOYSA-N 334.395 4.066 5 40 EIBB Cc1cc(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1C1CC1 25833752 ZPVQEVROWJMZON-ZDUSSCGKSA-N 341.411 4.181 5 40 EIBB CC(C)C(=O)Nc1cc(N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1Cl 45891878 WPOWZFIBFWERTR-NSHDSACASA-N 339.823 4.222 5 40 EIBB COP(=O)(OC)[C@@H](Nc1ccccc1)c1ccccc1[N+](=O)[O-] 4815431 KFXMMQFQOKTJHD-OAHLLOKOSA-N 336.284 4.191 5 40 EIBB COc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 9549335 LDIJYVBXIVDJHK-UHFFFAOYSA-N 328.349 4.070 5 40 EIBB CC(=O)c1ccc(Nc2cc(F)cc(N3CCCC3)c2)c([N+](=O)[O-])c1 58266101 XQDYZTSSTJWLAV-UHFFFAOYSA-N 343.358 4.280 5 40 EIBB Cc1cc([N+](=O)[O-])cc2nc(Cc3ccc(Br)cc3)oc12 73639283 FQMLSUSCQUZOQW-UHFFFAOYSA-N 347.168 4.398 5 40 EIBB CCCCOC(=O)Cn1c2ccc(C)cc2c2nc3ccccc3nc21 4919261 HULLICHJWCFNER-UHFFFAOYSA-N 347.418 4.389 5 40 EIBB C[N+](C)(C)CCC[N+]1(C)C[C@H]2[C@H]3CCCCC3=C3CCCC[C@@H]3[C@H]2C1 4946265 WSQHOCASWIJBAV-LTCNHSEVSA-N 346.603 4.466 5 40 EIBB O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1 72229119 FGGWZTJJMKWTCS-UHFFFAOYSA-N 345.786 4.101 5 40 EIBB O=C(Nc1nc2ccccc2s1)c1cc(Cl)ccc1[N+](=O)[O-] 1518578 WZZRBKYWMNABNE-UHFFFAOYSA-N 333.756 4.110 5 40 EIBB Cc1nc2oc3ccc(Cl)cc3c(=O)c2c2nc3ccccc3n12 5207677 WFRMPBDHKXETSY-UHFFFAOYSA-N 335.750 4.104 5 40 EIBB CC(C)c1nc2c(c(=O)c3ccccc3n2C)c2nc3ccccc3n12 5209199 RNIRFSHJYZYAQL-UHFFFAOYSA-N 342.402 4.011 5 40 EIBB O=C(CCSc1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1 2627249 IIXNKHOCQMOBID-UHFFFAOYSA-N 336.800 4.369 5 40 EIBB O=[N+]([O-])c1cccc2ccc(/C=C/c3ccc4c(c3)OCCO4)nc12 5155757 QTDRQRMANFWRBC-QPJJXVBHSA-N 334.331 4.085 5 40 EIBB O=C(Cc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 5944753 MKRDTQZIKHAJLT-UHFFFAOYSA-N 325.151 4.083 5 40 EIBB O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)c[nH]2)c([N+](=O)[O-])c1 25523533 FCURMSCKNYJJAP-UHFFFAOYSA-N 342.336 4.044 5 40 EIBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N+](C)(C)Cc1ccccc1 41690040 KWSQSVIKAJJHLO-PSWRPDDJSA-N 348.551 4.101 5 40 EIBB O=C(CSc1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-] 409180169 URWUTEIESNJTBJ-UHFFFAOYSA-N 338.388 4.479 5 40 EIBB Cc1nc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2s1 971143 DDKPJTSGMWLVTI-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@H]1c1cccnc1 12563695 FUGREYLWYKYWON-ZDUSSCGKSA-N 337.301 4.350 5 40 EIBB O=[N+]([O-])c1ccc(NCc2ccc(-n3cccn3)cc2)c(Cl)c1 32926993 KOAYHEVPWYXKKP-UHFFFAOYSA-N 328.759 4.046 5 40 EIBB Cc1cc([N+](=O)[O-])cc2nc(-c3ccc(Br)cc3)oc12 73639438 FRECPGSWRCBNBM-UHFFFAOYSA-N 333.141 4.474 5 40 EIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1cccc2ccccc12 222825620 OXBKSUALHQLHRP-JLHYYAGUSA-N 332.359 4.078 5 40 EIBB COc1ccc2c(c1)c1c(C)c3cnccc3c(C)c1n2CCCN 1720645 FFGIBLYMAQEJFJ-UHFFFAOYSA-N 333.435 4.317 5 40 EIBB in-vitro CSc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 12038902 OINKHKVCXCIDNK-NSHDSACASA-N 348.449 4.436 5 40 EIBB O=C(Nc1cccc(OC(F)(F)F)c1)Nc1cccc([N+](=O)[O-])c1 24691184 OLWKWSOKCDMUHG-UHFFFAOYSA-N 341.245 4.137 5 40 EIBB CN(C(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)c1ccccc1 97102842 IBWZEYPNBBJUGQ-UHFFFAOYSA-N 346.361 4.097 5 40 EIBB CCc1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 1892718 VLQUJIJRYQNWSC-UHFFFAOYSA-N 330.409 4.029 5 40 EIBB O=C(Nc1ccccc1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 3473589 INMDBSVTEFKWIY-UHFFFAOYSA-N 332.359 4.438 5 40 EIBB O=[N+]([O-])c1c(NC[C@@H]2CCN(c3ccccc3)C2)ccc2ncccc12 52001427 JGQOQWILDCNCDW-HNNXBMFYSA-N 348.406 4.081 5 40 EIBB Cc1cc(N[C@H]2CCc3ccccc32)nc(-c2ccc([N+](=O)[O-])cc2)n1 60858547 CJXXVZKISRYRSU-SFHVURJKSA-N 346.390 4.460 5 40 EIBB S=C(NCc1ccccc1)Nc1cc2ccncc2c2ncccc12 408974838 HHQPYQGBNMXROK-UHFFFAOYSA-N 344.443 4.270 5 40 EIBB O=C(OCc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 515059 FOHDFCQXAZZAEF-UHFFFAOYSA-N 326.135 4.259 5 40 EIBB COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C(C)C)cc1 7922885 RFCGCYXCOFXNIF-GOSISDBHSA-N 342.395 4.039 5 40 EIBB CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC)cc1 20489738 YQHIHQRQKFAUCB-HNNXBMFYSA-N 348.786 4.138 5 40 EIBB Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC=C(c2ccccc2)C1 95467139 JWVHADDKXJRCBF-UHFFFAOYSA-N 337.379 4.143 5 40 EIBB Cc1cc(N[C@@H]2CCc3ccccc32)nc(-c2ccc([N+](=O)[O-])cc2)n1 84114679 CJXXVZKISRYRSU-GOSISDBHSA-N 346.390 4.460 5 40 EIBB O=[N+]([O-])c1ccc(CCc2ncc(C(F)(F)F)cc2Cl)cc1 5673635 CYGYCWULPJMMBG-UHFFFAOYSA-N 330.693 4.447 5 40 EIBB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 8493086 WHQOUXQHXCBENJ-HNNXBMFYSA-N 334.759 4.044 5 40 EIBB O=C(NCc1ccccc1Cl)c1cccc2nc3ccccc3nc12 9910278 FFODQFQVQHWYOR-UHFFFAOYSA-N 347.805 4.366 5 40 EIBB Cc1cccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C 20461613 FHUURZDUTTZIIK-LBPRGKRZSA-N 348.786 4.271 5 40 EIBB O=C(COc1ccccc1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 5704477 VWBPRPKJKYWXGN-UHFFFAOYSA-N 348.358 4.279 5 40 EIBB Cc1c(NC(=O)N(C)Cc2ccccc2Cl)cccc1[N+](=O)[O-] 40099069 LFTUOIJFJBNMDV-UHFFFAOYSA-N 333.775 4.221 5 40 EIBB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 58969474 SJZTYWLTLIJXPN-CQSZACIVSA-N 342.395 4.433 5 40 EIBB Cc1c(Cl)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 3196410 UGZCFENTIHORTE-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB O=C(CNc1ccccc1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 11618728 AAXBKBNMKKJYEO-UHFFFAOYSA-N 347.374 4.312 5 40 EIBB CCOC(=O)c1c(C)oc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc12 26706272 KZHRIEFOGDZFJX-UHFFFAOYSA-N 342.307 4.013 5 40 EIBB C[C@H](Nc1ncc([N+](=O)[O-])c(NC2CC2)n1)c1ccc2ccccc2c1 26707426 XHZKLEPVVDCMFJ-LBPRGKRZSA-N 349.394 4.285 5 40 EIBB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)c1ccc([N+](=O)[O-])o1 5752345 YYPOTBLJWXNXRD-UHFFFAOYSA-N 331.368 4.459 5 40 EIBB O=C(Nc1cccc2ccccc12)n1ncc2ccc([N+](=O)[O-])cc21 6238020 UAKIQPCURGHBSO-UHFFFAOYSA-N 332.319 4.178 5 40 EIBB O=[N+]([O-])c1ccc(F)cc1OCc1noc(-c2ccc(Cl)cc2)n1 28187372 KPOSSPBBGDPLIW-UHFFFAOYSA-N 349.705 4.016 5 40 EIBB COC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 216890154 PELDDBBYOIRFDZ-WEVVVXLNSA-N 347.754 4.013 5 40 EIBB Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])c1 36621230 NGSBIKKGKOJOPV-INIZCTEOSA-N 325.368 4.272 5 40 EIBB O=C(Nc1ccccc1Cc1ccccc1)c1ccccc1[N+](=O)[O-] 3473574 AQUGQUONXLWVOL-UHFFFAOYSA-N 332.359 4.438 5 40 EIBB O=C(CSc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 3512087 DHONGUWXNPRFGB-UHFFFAOYSA-N 340.763 4.118 5 40 EIBB Cc1ccc([C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 20491144 MYHDVGNZAHJQGO-CQSZACIVSA-N 344.436 4.014 5 40 EIBB C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2o1 17369106 MQMGVBYYPVWNNS-JTQLQIEISA-N 344.754 4.485 5 40 EIBB COc1ccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc1Cl 72228722 INRPWRGUOCLHSD-UHFFFAOYSA-N 334.759 4.126 5 40 EIBB CC[C@H](C)Oc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OC 408542999 MTALXRGAEICXMJ-DJYGCBNOSA-N 332.356 4.248 5 40 EIBB O=[N+]([O-])c1ccc(Sc2ccccn2)nc1Sc1ccccn1 13208311 ZVIJUWXMWHDHEZ-UHFFFAOYSA-N 342.405 4.082 5 40 EIBB CC[N+](C)(C)C[C@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 36631483 URHWABGLMQYBND-SFHVURJKSA-N 336.540 4.236 5 40 EIBB CCCOC(=O)c1cc(Cl)c(N2CCCC[C@H]2C)c([N+](=O)[O-])c1 70462592 ZKIPXXOSVXORDO-LLVKDONJSA-N 340.807 4.194 5 40 EIBB Cc1sc(NC(=O)CC(C)(C)C)nc1-c1cccc([N+](=O)[O-])c1 95364873 WQZARTSDYAPBAO-UHFFFAOYSA-N 333.413 4.401 5 40 EIBB Cc1nn(-c2ccccc2)c(C)c1NCc1cccc([N+](=O)[O-])c1C 97104254 LBDQDUGUOJBPBJ-UHFFFAOYSA-N 336.395 4.318 5 40 EIBB CCCCNC(=O)COC(=O)c1c2ccccc2cc2ccccc12 2655409 DQRWIXWDPOOZNY-UHFFFAOYSA-N 335.403 4.066 5 40 EIBB O=[N+]([O-])c1ccc(COc2ncnc3sc4c(c23)CCCC4)cc1 3578177 VZKHFQFRYHMZHZ-UHFFFAOYSA-N 341.392 4.057 5 40 EIBB CCCCOc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 3896941 ZAMHDXUEOFCUNA-UHFFFAOYSA-N 339.351 4.491 5 40 EIBB O=[N+]([O-])c1ccc(/C=C/c2nc3ccccn3c2Br)cc1 4248237 JOXYDHHLNMVBDM-RMKNXTFCSA-N 344.168 4.175 5 40 EIBB Cc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1C 138889 ROCHDQBVFQXJPJ-UHFFFAOYSA-N 327.383 4.121 5 40 EIBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cccc(F)c1 3512848 XGEDZZLDRYAXQJ-UHFFFAOYSA-N 348.329 4.442 5 40 EIBB CN(Cc1csc(Br)c1)Cc1ccccc1[N+](=O)[O-] 47701956 GOPDYLPTHXEOQO-UHFFFAOYSA-N 341.230 4.051 5 40 EIBB O=[N+]([O-])c1cc(NC(=S)Nc2cccc(Cl)c2)ccc1F 6787709 BDZPVKVQOLYJNM-UHFFFAOYSA-N 325.752 4.196 5 40 EIBB O=C(Nc1cc(Cl)cc2cccnc12)c1ccccc1[N+](=O)[O-] 24832645 UAVHQZOQBZIEFV-UHFFFAOYSA-N 327.727 4.049 5 40 EIBB Cc1nc(CCNC(=O)c2cc3ccccc3c3cccnc23)cs1 46762995 IDQAZEBMIXHFJZ-UHFFFAOYSA-N 347.443 4.125 5 40 EIBB O=c1oc2c3c(ccc2c2ccccc12)OCN(c1ccccc1F)C3 2118799 CNBKXSCJJFJSSD-UHFFFAOYSA-N 347.345 4.442 5 40 EIBB biogenic Cc1cccc(CSCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 15790675 FQGHTZJPKNVCDF-UHFFFAOYSA-N 330.409 4.084 5 40 EIBB COc1cc([N+](=O)[O-])c2nc(Nc3nc4ccccc4o3)sc2c1 57352546 QPOICSUTDHFNBR-UHFFFAOYSA-N 342.336 4.098 5 40 EIBB O=[N+]([O-])c1ccc(Cl)c(NC(=S)N[C@@H]2C[C@H]2c2ccccc2)c1 71827949 UCZNBTZWNAROJN-GXTWGEPZSA-N 347.827 4.091 5 40 EIBB Cc1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1C 344993 NXXASHQHBMODSL-UHFFFAOYSA-N 346.342 4.165 5 40 EIBB Cc1ccc(OCc2csc(-c3ccsc3)n2)c([N+](=O)[O-])n1 7370866 LSAMHJQIOZUHMC-UHFFFAOYSA-N 333.394 4.062 5 40 EIBB Cc1ccccc1C(O)(c1ccccc1C)[C@@H]1C[N+]2(C)CCC1CC2 1240605 CNIGOONYHPRPAV-HWDGFJGFSA-N 336.499 4.026 5 40 EIBB O=[N+]([O-])c1ccc(NCCNCc2cccc(Cl)c2Cl)cc1 8418001 MEQSNCKOXJQFQJ-UHFFFAOYSA-N 340.210 4.103 5 40 EIBB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl 40069855 FPSLVTSUOSFGES-NSHDSACASA-N 348.786 4.090 5 40 EIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCC[C@@H]1c1cn[nH]c1 89768312 DFTCSQCIUKGFEN-GFCCVEGCSA-N 340.305 4.068 5 40 EIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc2c3c(cccc13)CC2 4078854 NCBGDIVDEYLQKM-AWNIVKPZSA-N 344.370 4.499 5 40 EIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1-c1ccn(-c2ccccc2)n1 1391193 RBNYHBYSLSDIIO-UHFFFAOYSA-N 333.269 4.466 5 40 EIBB CCc1noc(-c2ccc(N[C@H](C)c3ccccc3)c([N+](=O)[O-])c2)n1 8587140 KLWIBNXXYKBWDP-GFCCVEGCSA-N 338.367 4.380 5 40 EIBB O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCCO3)cc1C(F)(F)F 9646892 HQQDUVYKUOFSNW-UHFFFAOYSA-N 340.257 4.128 5 40 EIBB CC(=O)c1ccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 3504004 JBZVXWRNSKCGOG-UHFFFAOYSA-N 349.799 4.260 5 40 EIBB CCOc1ccc2c(c1)c(=O)c1cccnc1n2Cc1ccccc1C 6901754 WDLAIUHKWZSQND-UHFFFAOYSA-N 344.414 4.305 5 40 EIBB O=[N+]([O-])c1ccc(NCCNCc2cccc(Cl)c2)c(Cl)c1 16398839 WUPVBSDCGJEPFM-UHFFFAOYSA-N 340.210 4.103 5 40 EIBB COc1ccc([C@H]2CCCN2c2ccc3ncccc3c2[N+](=O)[O-])cc1 42110051 BPWORDAUAWGBIA-GOSISDBHSA-N 349.390 4.493 5 40 EIBB O=[N+]([O-])c1ccc2c(CSc3nnc(-c4ccco4)o3)c[nH]c2c1 59474749 YCDMTTCIKUOVDA-UHFFFAOYSA-N 342.336 4.011 5 40 EIBB Cc1cc(N[C@@H]2CCc3ccccc32)nc(-c2cccc([N+](=O)[O-])c2)n1 65512949 RLZVXBNYQDAWCK-GOSISDBHSA-N 346.390 4.460 5 40 EIBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1cc(C)cc(C)c1 72228814 DFJVLWXYJSKQEG-UHFFFAOYSA-N 342.395 4.100 5 40 EIBB COc1cc2nccc(Nc3ccc([N+](=O)[O-])cc3C)c2cc1OC 65005293 RUEXINHGCJJKMG-UHFFFAOYSA-N 339.351 4.212 5 40 EIBB O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cc1 424073 PXKCOHVHRUVHEI-OAHLLOKOSA-N 334.784 4.027 5 40 EIBB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 8497985 MXXROBWIIXENBN-MRXNPFEDSA-N 348.786 4.353 5 40 EIBB Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 8586523 LYZPCSQKLBOSTI-UHFFFAOYSA-N 347.374 4.145 5 40 EIBB C[C@H]1c2[nH]c3ccccc3c2CCN1CCc1ccc([N+](=O)[O-])cc1 84718153 SESOAYZPIREFSU-AWEZNQCLSA-N 335.407 4.238 5 40 EIBB O=[N+]([O-])c1ccc(CN2CCCC[C@H]2c2nccs2)cc1Cl 95940908 AGJDMHDNHZFYNQ-AWEZNQCLSA-N 337.832 4.432 5 40 EIBB COc1ccc(-c2c(N)oc3cc4ccccc4cc3c2=O)cc1OC 1280714 SOKPLFIXWMGPIO-UHFFFAOYSA-N 347.370 4.213 5 40 EIBB COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 3552143 ZOJIAMSYFRUDPU-UHFFFAOYSA-N 342.395 4.462 5 40 EIBB COc1cccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 7843715 UBKLOXIABITJKH-UHFFFAOYSA-N 327.365 4.471 5 40 EIBB Cc1ccc([C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 20491146 MYHDVGNZAHJQGO-AWEZNQCLSA-N 344.436 4.014 5 40 EIBB CCCCOc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OC 33732106 YMIYHANOINIOQJ-VQHVLOKHSA-N 332.356 4.249 5 40 EIBB CCCOc1ccc(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1 253377312 WRNCXQUMXVISMV-RCZSKKKRSA-N 346.491 4.041 5 40 EIBB biogenic,in-vitro COc1ccc([N+](=O)[O-])cc1OCc1cc2ccccc2nc1Cl 18438323 KNYWIVMDJIFPTE-UHFFFAOYSA-N 344.754 4.384 5 40 EIBB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 25328665 WYBADNMUEOMVBK-LLVKDONJSA-N 348.786 4.090 5 40 EIBB CCCOc1ccc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1OC 4454475 KAUXNPGIAYFZIH-LJQANCHMSA-N 341.363 4.235 5 40 EIBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)CCCC2 225631333 UVEBNOWGLBUVGQ-UHFFFAOYSA-N 330.771 4.379 5 40 EIBB O=[N+]([O-])c1ccc(COc2cccn3cc(-c4ccccc4)nc23)cc1 20030691 MPDHXJVVZPLNJL-UHFFFAOYSA-N 345.358 4.489 5 40 EIBB Cc1cc(OCC(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)ccc1Cl 72228845 BDMWIFSWIGSZFT-UHFFFAOYSA-N 348.786 4.191 5 40 EIBB Cc1cc([N+](=O)[O-])cc2nc(-c3c(F)c(F)c(F)c(F)c3F)oc12 226248615 CGFLILJXMLKTEU-UHFFFAOYSA-N 344.195 4.407 5 40 EIBB O=[N+]([O-])c1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc1 5938888 SAPXERHKESAEGU-FPYGCLRLSA-N 327.321 4.283 5 40 EIBB COc1ccc(-c2nccc3c2cnc2cc4c(cc23)OCO4)cc1 12952380 ONFZSZVSEHEPHI-UHFFFAOYSA-N 330.343 4.187 5 40 EIBB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc([N+](=O)[O-])cc1 13140835 LWXIIQYHBHYEBI-JXMROGBWSA-N 345.358 4.413 5 40 EIBB CC1(C)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C=C(Cl)Cl 4016808 VXOZEHBONIJFQO-CMPLNLGQSA-N 329.183 4.125 5 40 EIBB aggregator CC[C@H](C)N(C(=S)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)CC 17071137 CEEORMKDHNWNLI-TXEJJXNPSA-N 339.461 4.199 5 40 EIBB CC[C@H](C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 32714764 UJLCRPPJEKUJDI-SCLBCKFNSA-N 342.395 4.372 5 40 EIBB CCCOc1ccc(C(=O)[C@H](C[N+](C)(C)C)c2ccccc2)cc1 2255639 UCWHXPJTYNCOFV-HXUWFJFHSA-N 326.460 4.148 5 40 EIBB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 10542763 OOQVGJAPHIHECR-LBPRGKRZSA-N 332.787 4.356 5 40 EIBB O=[N+]([O-])c1ccc(Cl)c([C@H]2SCc3nc4ccccc4n32)c1 12942687 MYXKHRSTGNIYQC-OAHLLOKOSA-N 331.784 4.392 5 40 EIBB O=[N+]([O-])c1c(F)cccc1NCCCOc1cccc2cccnc12 78680049 MCTOLIBDMQGXIB-UHFFFAOYSA-N 341.342 4.163 5 40 EIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2ccccc2)cn1 95954358 JGHJWKAWNVQDTQ-MDWZMJQESA-N 345.358 4.309 5 40 EIBB O=[N+]([O-])c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1 3097938 HMNVREUITHREJF-UHFFFAOYSA-N 327.321 4.202 5 40 EIBB CCCCOc1ccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 9141592 VNQUMJMHWHDUTK-UHFFFAOYSA-N 344.367 4.035 5 40 EIBB O=C(c1ccc(Cl)cc1)n1c2ccccc2c(=O)c2ccccc21 16525198 TUDWODAVZFJJSM-UHFFFAOYSA-N 333.774 4.497 5 40 EIBB C[C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Br)C1 226316633 MSNNZHVBKBLHDX-MRVPVSSYSA-N 333.613 4.247 5 40 EIBB CCC[C@]1(CO)CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 290589081 JYWWWABJZHXZCG-QFIPXVFZSA-N 348.446 4.013 5 40 EIBB Cc1oc(-c2ccccc2)nc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 390833131 CNHMAPIHCCWTCV-CYBMUJFWSA-N 337.379 4.409 5 40 EIBB C[N+]12CCCC[C@@H]1[C@H](OC(=O)C1(c3ccccc3)CCCC1)CCC2 234102 ZIVXSNSWRIBHKJ-VJOPYQGCSA-N 342.503 4.203 5 40 EIBB CCCN(CC1CC1)C(=S)Nc1cc([N+](=O)[O-])ccc1Cl 3325954 LXVOVLFIXAASDZ-UHFFFAOYSA-N 327.837 4.067 5 40 EIBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2ccccc2)cc1 3516101 HICBRTOLOJLMCL-UHFFFAOYSA-N 348.358 4.279 5 40 EIBB Cc1csc(N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)n1 3554650 HBQGWGIKRXPSOU-UHFFFAOYSA-N 339.376 4.338 5 40 EIBB O=C(Nc1ccc(F)cc1F)c1cc2cc([N+](=O)[O-])ccc2s1 4078783 GSGCAPPWEFOFQT-UHFFFAOYSA-N 334.303 4.340 5 40 EIBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1ccncc1 43342404 XEENOWWDDGORQD-HNNXBMFYSA-N 346.774 4.012 5 40 EIBB COc1ccc([C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C(C)C)cc1 8338283 XUQXAIJWTILWQK-ZDUSSCGKSA-N 346.412 4.122 5 40 EIBB COc1cc([N+](=O)[O-])ccc1Oc1nc(C(F)F)nc2ccccc12 66466118 ZGNBJKPVYIOOLG-UHFFFAOYSA-N 347.277 4.277 5 40 EIBB CCOc1ccc(C(=O)OCC[C@@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1 504082725 JKGLLRLAYPIYPO-RBDMOPTHSA-N 346.491 4.041 5 40 EIBB COC(=O)c1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc1 5130197 FFXQYRUUICMEPB-RUDMXATFSA-N 340.360 4.162 5 40 EIBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1ccc2c(c1)OCO2 5688334 ZGWCZWHKPZIMKC-UHFFFAOYSA-N 326.230 4.086 5 40 EIBB Cc1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1C 6832197 OBVUKHGFAKTSIB-UHFFFAOYSA-N 325.368 4.038 5 40 EIBB Cc1nc(Oc2ccccc2[N+](=O)[O-])c2c3c(sc2n1)CCC3 8146697 IOQLADIPAZRCDF-UHFFFAOYSA-N 327.365 4.189 5 40 EIBB Cc1nn(Cc2csc(-c3ccc(Cl)cc3)n2)c(C)c1[N+](=O)[O-] 8315000 GUYWZNSPBDGKRG-UHFFFAOYSA-N 348.815 4.233 5 40 EIBB Cc1nc(Cc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cs1 40086300 GMSPPEBRVMABOX-UHFFFAOYSA-N 331.422 4.382 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccccc1Cl 40095712 SDUUPDWRFRKOTQ-UHFFFAOYSA-N 333.775 4.221 5 40 EIBB O=[N+]([O-])c1cc(-c2n[nH]c(-c3cccc(Cl)c3)n2)ccc1Cl 40169664 NOFQPMJKNYOLMY-UHFFFAOYSA-N 335.150 4.354 5 40 EIBB O=[N+]([O-])c1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)o1 409003829 VHCZBWQKQXKVTQ-UHFFFAOYSA-N 345.380 4.224 5 40 EIBB Cc1c(NCc2ccc(Br)cc2F)cccc1[N+](=O)[O-] 8392414 QRKWTDNJMGZXOT-UHFFFAOYSA-N 339.164 4.417 5 40 EIBB O=c1cc(CSc2nncn2C2CC2)c2c(ccc3ccccc32)o1 26156095 SLEFFZLJPAROEO-UHFFFAOYSA-N 349.415 4.165 5 40 EIBB Cn1c(-c2cc3c(ccc4ccccc43)oc2=O)nc2ccccc21 3114545 AGOORGXUONZKMR-UHFFFAOYSA-N 326.355 4.500 5 40 EIBB COC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(C(C)C)cc1 40146056 UQXUFKVCWBMUOO-RMKNXTFCSA-N 326.352 4.070 5 40 EIBB Cc1cccc2c(O)nc(/C(Cl)=C/c3csc([N+](=O)[O-])c3)nc12 53106244 FFJQSECLLWTFMW-WZUFQYTHSA-N 347.783 4.350 5 40 EIBB O=[N+]([O-])c1cccc(F)c1CSc1nnc(Cc2ccccc2)o1 78412143 RDISVXJWQMBPDK-UHFFFAOYSA-N 345.355 4.000 5 40 EIBB O=c1oc2c3c(ccc2c2ccccc12)OCN(c1cccc(F)c1)C3 2125896 UBKXQYDOJDQCOQ-UHFFFAOYSA-N 347.345 4.442 5 40 EIBB biogenic Cc1cccc(C)c1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 7093783 XMOJYDPTJMYFPQ-UHFFFAOYSA-N 330.409 4.084 5 40 EIBB O=C(O)c1ccc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cc1 8038085 HGYBTSUIRDTUSW-FPYGCLRLSA-N 326.333 4.073 5 40 EIBB CCc1ccc(O[C@H](CC)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 222885129 OHEKBVYLHVJADC-GOSISDBHSA-N 342.395 4.262 5 40 EIBB COc1ccc(N(C)C(=O)c2ccc3nc4ccccc4nc3c2)cc1 408973851 CDMBFTRIABMJOI-UHFFFAOYSA-N 343.386 4.068 5 40 EIBB CC(=O)Nc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 24831985 PSPMQHQPFWXQET-UHFFFAOYSA-N 339.376 4.344 5 40 EIBB CC(=O)c1csc(NC(=O)c2cc3ccccc3c3cccnc23)n1 58189937 LGJMNBJLAANPBE-UHFFFAOYSA-N 347.399 4.299 5 40 EIBB Cc1ccc(OCCNc2nc3ccc([N+](=O)[O-])cc3s2)c(C)c1 59461243 UPNDRGSZPUTKGA-UHFFFAOYSA-N 343.408 4.312 5 40 EIBB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] 222902603 AOFMUIKEMHKJMC-CQSZACIVSA-N 338.407 4.273 5 40 EIBB O=C(CSCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 408723832 SLMBPXATPWSVRA-UHFFFAOYSA-N 336.800 4.120 5 40 EIBB CC[N+](C)(CC)CC(C)(C)COC(=O)c1cc2cc(C)ccc2o1 3068213 GUCBYMIBERSPLC-UHFFFAOYSA-N 332.464 4.411 5 40 EIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCc1ccccc1Cl 217887189 OJXHCYUFIZJZLD-ZHACJKMWSA-N 344.798 4.010 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 242480 YYUYGTPETXKVAA-UHFFFAOYSA-N 332.359 4.365 5 40 EIBB O=C(OCc1cccc(Cl)c1)c1cc(Cl)ccc1[N+](=O)[O-] 3281056 REZLHMFJESJSQS-UHFFFAOYSA-N 326.135 4.259 5 40 EIBB O=[N+]([O-])c1cccc(-c2ccc(SCc3ccccc3F)nn2)c1 4355823 FCWPNASDYVVINV-UHFFFAOYSA-N 341.367 4.483 5 40 EIBB O=C(CSc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])c[nH]1 37353808 DDZAHBYPJRGVLX-UHFFFAOYSA-N 331.180 4.205 5 40 EIBB COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl 72434074 RUTKRAJGDKGLMB-UHFFFAOYSA-N 326.135 4.355 5 40 EIBB C[C@@H]1C[C@@H](C)CN(c2c(Cl)cc([N+](=O)[O-])cc2Br)C1 226316644 AVLXVPWEBRTLEK-RKDXNWHRSA-N 347.640 4.493 5 40 EIBB Cc1cc2cc[nH]c2cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 390835435 NSHLNNUKAMORBG-UHFFFAOYSA-N 329.743 4.290 5 40 EIBB COc1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 258352 LFTSRMWIDOLOQW-UHFFFAOYSA-N 338.319 4.116 5 40 EIBB NC(=O)c1ccc(Oc2ccc(Cl)c3ccccc23)c([N+](=O)[O-])c1 2622849 MKHNZXAQFBGSAT-UHFFFAOYSA-N 342.738 4.293 5 40 EIBB Nc1nc2c(Cl)cc([N+](=O)[O-])c(NC3CCCCC3)c2s1 45891410 LFYFWGLQPQGACA-UHFFFAOYSA-N 326.809 4.185 5 40 EIBB CC[C@H](C)n1cc(OC(C)=O)c2c1nc(C)n1c3ccccc3nc21 5484494 ACLPZPYDLNFYGF-NSHDSACASA-N 336.395 4.042 5 40 EIBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)C(C)(C)C)cc1 6537254 WWALUDVRBZEEGV-UHFFFAOYSA-N 343.379 4.264 5 40 EIBB Cc1cc([N+](=O)[O-])cc2nc(-c3cccc(Br)c3)oc12 73639430 HOPAXFCDMJYWAF-UHFFFAOYSA-N 333.141 4.474 5 40 EIBB Sc1nc2ccc(Br)cc2c2nc3ccccc3n12 6896859 NFFZACIULUFTOF-UHFFFAOYSA-N 330.210 4.087 5 40 EIBB CCCCOc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 3030647 BVPIIANQMWEAOE-UHFFFAOYSA-N 339.351 4.491 5 40 EIBB O=C(Nc1ccc2ncccc2c1)c1cc2cc([N+](=O)[O-])ccc2o1 530762 ABPJONMTVDFJIO-UHFFFAOYSA-N 333.303 4.142 5 40 EIBB Cc1cccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c1[N+](=O)[O-] 12974975 LPPHSXDRKPZPPA-AWEZNQCLSA-N 346.383 4.009 5 40 EIBB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 13710879 LZOQKMGQAXFUTF-GFCCVEGCSA-N 348.786 4.271 5 40 EIBB Cc1cccc(C(=O)N[C@H](CC(C)C)c2ccccc2)c1[N+](=O)[O-] 21835566 YOQKLLDQTJEFIN-QGZVFWFLSA-N 326.396 4.420 5 40 EIBB CC(C)(C(=O)Nc1ccnc2ccccc12)c1ccc([N+](=O)[O-])cc1 27643586 MLTCWKSPMZTHGU-UHFFFAOYSA-N 335.363 4.059 5 40 EIBB CC[C@@H](C)c1ccccc1NC(=O)COc1cc(F)ccc1[N+](=O)[O-] 6510390 JPKAABQGAOOJHL-GFCCVEGCSA-N 346.358 4.265 5 40 EIBB CN(Cc1csc([N+](=O)[O-])c1)Cc1cc(Br)cs1 54175334 MMMOPEPTWZRZKC-UHFFFAOYSA-N 347.259 4.112 5 40 EIBB CC[C@@H](C)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 3515343 SRTHOIWLNFWGNH-CYBMUJFWSA-N 328.368 4.126 5 40 EIBB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 21125696 GXKAKOIDAXAMHB-GFCCVEGCSA-N 348.786 4.271 5 40 EIBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)C12CC3CC(CC(C3)C1)C2 7779598 XYYRNDMTDOEOMX-XUXNNNHQSA-N 329.396 4.148 5 40 EIBB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 13856390 NIKVNJHECTXSNG-MRXNPFEDSA-N 348.786 4.353 5 40 EIBB Cc1cccc(/N=c2\oc3ccc4ccccc4c3cc2C(N)=O)c1 17122502 HWTNASHXWGUPEV-LNVKXUELSA-N 328.371 4.226 5 40 EIBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)c1ccccc1 25614442 OFSRIRIIKQGFRO-KGLIPLIRSA-N 344.436 4.295 5 40 EIBB O=[N+]([O-])c1ccc2[nH]c(/C=C/c3cnc(-c4ccccc4)nc3)nc2c1 84564843 MNBQYMRKYANPAX-RMKNXTFCSA-N 343.346 4.099 5 40 EIBB COc1ccc(C(=O)Nc2ccc3c(=O)c4ccccc4oc3c2)cc1 6660666 INKJJENWJGDWEO-UHFFFAOYSA-N 345.354 4.207 5 40 EIBB Cc1cccc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1[N+](=O)[O-] 12906259 GNQIZJBCCARJKS-ZDUSSCGKSA-N 338.363 4.483 5 40 EIBB C[N+]1(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CCCCCC1 36631466 ZXMNEKSSHQDLME-OAQYLSRUSA-N 340.487 4.114 5 40 EIBB O=C(CCc1ccc2ccccc2c1)N1CCc2ccc([N+](=O)[O-])cc21 89878753 FNXZHUXBTGSOMH-UHFFFAOYSA-N 346.386 4.270 5 40 EIBB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 223015273 TZKOCPHPNCPKFS-MRXNPFEDSA-N 348.786 4.353 5 40 EIBB CCCCCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 4919223 XUOKYLWOQFHSCQ-UHFFFAOYSA-N 347.418 4.471 5 40 EIBB CC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1C 217889885 WMAQQJHSVVWOKV-SINXNMPMSA-N 338.407 4.492 5 40 EIBB Cc1ccc2cccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2n1 3603886 WATRUCJQTBCQEB-UHFFFAOYSA-N 342.738 4.324 5 40 EIBB O=c1c2ccccc2oc2cc(OCc3ccccc3F)cc(O)c12 8515540 IUPPEHWDVVGVOA-UHFFFAOYSA-N 336.318 4.370 5 40 EIBB biogenic Cc1ccc(OCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 59475459 UWWNJKPESSWDAV-UHFFFAOYSA-N 340.301 4.413 5 40 EIBB CCN(CC)C(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 408977178 VSOINFHBAFMHAK-UHFFFAOYSA-N 349.463 4.303 5 40 EIBB O=C(Nc1cccc(F)c1)c1cc2c(ccc3ccccc32)oc1=O 28982 DVNHSORDZOONNW-UHFFFAOYSA-N 333.318 4.338 5 40 EIBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cc(F)cc2cccnc12 40086044 GNGWFIQXJXLCNL-CYBMUJFWSA-N 339.370 4.475 5 40 EIBB O=c1c2ccccc2c2ccccc2c(=O)n1-c1cccc(Cl)c1 426927 PASSHZYUKVTSKU-UHFFFAOYSA-N 333.774 4.158 5 40 EIBB Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 6815380 DMURSEQCXOBPHQ-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB CC[C@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])c1ccc(OC)cc1 8204490 BMNDSFFBTAIFLV-INIZCTEOSA-N 328.368 4.369 5 40 EIBB O=C(c1ccc2sc3nc4ccccc4nc3c2c1)N1CCCC1 33666909 LJNKGYPKPNTIOP-UHFFFAOYSA-N 333.416 4.234 5 40 EIBB O=[N+]([O-])c1ccc(Nc2cnn(Cc3ccccc3)c2)c2ccncc12 52488591 OHZWTSVJTRTVJA-UHFFFAOYSA-N 345.362 4.131 5 40 EIBB CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C)c(C)c1 217896069 BKOTVFYIBVBFHC-BEBFYNPSSA-N 338.407 4.492 5 40 EIBB O=[N+]([O-])c1cc(Br)c(Nc2ccccc2)c([N+](=O)[O-])c1 4183729 GGNFTBUSSNQONZ-UHFFFAOYSA-N 338.117 4.009 5 40 EIBB O=[N+]([O-])c1ccc2sc(/C=C/c3ccc4c(c3)OCCO4)nc2c1 6510153 DFBDDBKCDGAZDB-QHHAFSJGSA-N 340.360 4.146 5 40 EIBB O=[N+]([O-])c1ncccc1Oc1ncnc2sc3c(c12)CCCCC3 13055883 ZKRLHFJXZCNOEN-UHFFFAOYSA-N 342.380 4.056 5 40 EIBB Cc1cc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1Cl 21381934 XZFUMUZZAQYEFW-GFCCVEGCSA-N 348.786 4.271 5 40 EIBB O=C(Nc1nccs1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57315587 IKPFHGQMBFLDMS-UHFFFAOYSA-N 339.785 4.172 5 40 EIBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(OC(C)C)cc1 72228713 HHIJHPSCDGQANN-UHFFFAOYSA-N 328.368 4.251 5 40 EIBB O=[N+]([O-])c1ccc(OCc2csc(-c3ccc(F)cc3)n2)cc1 7168650 OFRAXXOFEQYJEE-UHFFFAOYSA-N 330.340 4.436 5 40 EIBB Cc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1 9198882 MTLJZJFRPRRMKF-UHFFFAOYSA-N 341.392 4.169 5 40 EIBB Cc1ccc(-c2nc(CCNc3ncccc3[N+](=O)[O-])cs2)cc1 20365740 SSTVPKMWYMEYQI-UHFFFAOYSA-N 340.408 4.076 5 40 EIBB S=C(Nc1ccc2cc3ccccc3nc2c1)N1CCSCC1 409188840 GVIRPJWFIVXSAB-UHFFFAOYSA-N 339.489 4.134 5 40 EIBB Cc1c(NC(=O)c2csc(-c3cccs3)n2)cccc1[N+](=O)[O-] 12751888 LGIFFDZXDJBIBF-UHFFFAOYSA-N 345.405 4.341 5 40 EIBB Nc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 20031817 BLGNUHDQWHQPEJ-UHFFFAOYSA-N 341.154 4.128 5 40 EIBB c1ccc2c(c1)c1ccccc1n1c(-c3ccc4c(c3)OCO4)nnc21 500239 HAMRVMJHJGEOEC-UHFFFAOYSA-N 339.354 4.431 5 40 EIBB O=C1Nc2ccccc2/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 195752734 BEFJZKNRPAAOLB-LFIBNONCSA-N 332.315 4.348 5 40 EIBB O=C(NC1CCCC1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408920974 ADCUDZNAPSSFKE-XMHGGMMESA-N 336.391 4.194 5 40 EIBB O=c1oc2ccc(Br)cc2cc1-c1ccc([N+](=O)[O-])cc1 70516 UXDMGRYXQKIQFP-UHFFFAOYSA-N 346.136 4.131 5 40 EIBB CC[C@@H](C)c1ccc(O)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 5655482 YNBNCMRMSBFVFN-LLVKDONJSA-N 328.368 4.375 5 40 EIBB C[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc12 6061295 VJNBLDPGUQKOKT-CYBMUJFWSA-N 336.347 4.154 5 40 EIBB O=C(CSc1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])ccc1Cl 7342109 ITXKUZDJDOOSED-UHFFFAOYSA-N 347.783 4.100 5 40 EIBB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc([N+](=O)[O-])cc3)s2)o1 33158696 DBBUTPBOPGOJAO-UHFFFAOYSA-N 343.364 4.180 5 40 EIBB C[C@@H]1CCCCN1c1c(Br)cc(Cl)cc1[N+](=O)[O-] 45886190 DXCDLDBEYZVKAU-MRVPVSSYSA-N 333.613 4.390 5 40 EIBB COc1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 266462 BNJFEGJQNJFUCF-UHFFFAOYSA-N 338.319 4.116 5 40 EIBB CCOc1cc(NCc2ccc(C)cc2)c([N+](=O)[O-])cc1OCC 8705230 LAZGPINDEQAAGV-UHFFFAOYSA-N 330.384 4.313 5 40 EIBB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 10542596 JBPOZBUMMMHHBJ-UHFFFAOYSA-N 326.352 4.169 5 40 EIBB CC(=O)c1ccc(N[C@H](c2ccccc2)c2ccccn2)c([N+](=O)[O-])c1 24153850 VYZAYRMCBIOKDK-HXUWFJFHSA-N 347.374 4.394 5 40 EIBB CC[C@H]1C=C(c2ccc([N+](=O)[O-])cc2)O[C@H](N2CCCCC2)[C@@H]1C 55178338 UKBFXKYZXNIXTF-VCBZYWHSSA-N 330.428 4.440 5 40 EIBB CCOc1ccc(CCNc2cccc(F)c2[N+](=O)[O-])cc1OCC 72027253 KNBPRXQLSZCDEF-UHFFFAOYSA-N 348.374 4.186 5 40 EIBB O=[N+]([O-])c1ccc(SNC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 408733100 WCPYWSSURIEIQE-UHFFFAOYSA-N 349.412 4.069 5 40 EIBB Cc1cc2ccccn2c1[C@@H](C[N+](=O)[O-])c1c(F)cccc1Cl 3207285 QIWKQHQOTPQNNX-ZDUSSCGKSA-N 332.762 4.449 5 40 EIBB O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(C(F)(F)F)c1 6224821 YMVOSIYICPKCFX-UHFFFAOYSA-N 328.221 4.005 5 40 EIBB O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1ccccc1Cl 12555022 MPVHWVNUGPCECU-UHFFFAOYSA-N 333.775 4.079 5 40 EIBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C2SCCS2)cc1 15544072 YPQMJIDGAGPALL-UHFFFAOYSA-N 346.433 4.326 5 40 EIBB CCC[C@H](c1ccccn1)N(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 69700703 BKWNNTQBOFFSDL-QGZVFWFLSA-N 342.399 4.303 5 40 EIBB C[C@H]1CC[C@@](C)(C(=O)CCOC(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C 3846194 CWZKOCPDFRUOKH-DJJJIMSYSA-N 347.411 4.173 5 40 EIBB biogenic CC1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Br)CC1 45885830 HAIRLZYKXCVZMF-UHFFFAOYSA-N 333.613 4.247 5 40 EIBB O=C(Nc1scnc1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 69595073 YFUGCIRBMCJBNX-UHFFFAOYSA-N 343.339 4.110 5 40 EIBB CCCCn1c2nc3ccccc3nc2c2c(=O)n([C@@H](C)CC)cnc21 2407018 IYVRFRDBQGMBLA-ZDUSSCGKSA-N 349.438 4.066 5 40 EIBB Cc1cc(OC[C@H](O)C[N+](C)(C)Cc2ccccc2)ccc1C(C)C 41690015 SYKJXCIJIPOKCE-HXUWFJFHSA-N 342.503 4.135 5 40 EIBB CC(C)Cn1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 58003245 DFBMIWFTDQHQAM-UHFFFAOYSA-N 337.379 4.458 5 40 EIBB C[C@@H]1CCCCN1c1cc(N2CCCC[C@H]2C)c([N+](=O)[O-])cc1C=O 408976527 RWTVGFFGMXVUHR-HUUCEWRRSA-N 345.443 4.165 5 40 EIBB O=C(OCc1csc(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-] 3308978 FJVXVEKVPPSKGM-UHFFFAOYSA-N 340.360 4.075 5 40 EIBB O=C(COc1cc(F)ccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 6561665 NYPVUPDRSZIDAN-UHFFFAOYSA-N 344.125 4.302 5 40 EIBB COC(=O)c1ccc(C[N+](C)(C)C[C@H]2[C@@H](C)CC(C)=C[C@H]2C)cc1 2370497 WBDRYJJPLIJBNL-FUHIMQAGSA-N 330.492 4.288 5 40 EIBB Cc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])cc1 36619757 JKJIRPFHQNKRDZ-MRXNPFEDSA-N 325.368 4.272 5 40 EIBB Cc1nc2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2s1 6510134 HDFVTKPRBOBBKT-UHFFFAOYSA-N 347.783 4.419 5 40 EIBB Cc1ccc(NC(=O)c2[nH]c3ccccc3c2Cl)cc1[N+](=O)[O-] 40143013 LBEKCBQYJNPZHL-UHFFFAOYSA-N 329.743 4.290 5 40 EIBB O=Cc1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 35662329 KNWOSEIXUVHXMX-UHFFFAOYSA-N 326.135 4.293 5 40 EIBB Cc1ccc(NC(=O)c2c(Cl)c3ccccc3n2C)cc1[N+](=O)[O-] 36397520 VMNWNLVQIXWOTJ-UHFFFAOYSA-N 343.770 4.301 5 40 EIBB Cc1ccc(-n2cccc2C(=O)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 2387789 HCQBJHWPTCTTBJ-UHFFFAOYSA-N 347.585 4.247 5 40 EIBB O=C(Nc1cccc(OC2CCCC2)c1)c1ccccc1[N+](=O)[O-] 29028103 CCVYAOFIBUMJEE-UHFFFAOYSA-N 326.352 4.169 5 40 EIBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NC1CCCCCCC1 408563752 PCSLTBMPYWTVOK-UHFFFAOYSA-N 336.457 4.057 5 40 EIBB CCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 11169483 SUOMRKWBQJRDQV-NSHDSACASA-N 348.786 4.138 5 40 EIBB CCCNc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1[N+](=O)[O-] 20897653 ZVBGAMKNFSBSSE-UHFFFAOYSA-N 338.367 4.442 5 40 EIBB COc1ccc([N+](=O)[O-])cc1-c1ccc(-c2nc3ccccc3[nH]2)o1 85345503 IMLHGLYQUMSEAC-UHFFFAOYSA-N 335.319 4.407 5 40 EIBB Cc1ccc(OCCCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 1914091 XRCZITPCXHUQNW-UHFFFAOYSA-N 328.368 4.009 5 40 EIBB Cc1c(NC(=O)CCCSc2ccccc2)cccc1[N+](=O)[O-] 3174404 ZZORZBSTLZOWIV-UHFFFAOYSA-N 330.409 4.414 5 40 EIBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccccc1F 3511138 GJXBRZFNHPXYNN-UHFFFAOYSA-N 348.329 4.442 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCCC[C@@H]1c1ccncc1 45951116 NCRUTQATRFIYTG-QGZVFWFLSA-N 340.383 4.139 5 40 EIBB CC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)c(C)c1 217943303 GZYKTBKGTBQRMN-KRWDZBQOSA-N 326.396 4.401 5 40 EIBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCC2 223155539 MCAQDEZHAROPIF-NSHDSACASA-N 344.798 4.228 5 40 EIBB Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1[N+](=O)[O-] 10542608 VDJLKGPPKYYQPF-UHFFFAOYSA-N 340.379 4.477 5 40 EIBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(C)C 408545464 YYJAMDAFHNEBLS-VQHVLOKHSA-N 346.383 4.495 5 40 EIBB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 505681 HJSCKDVYNCLTCD-CYBMUJFWSA-N 342.395 4.434 5 40 EIBB Cc1ccc2c(C)nc(SCc3cccc([N+](=O)[O-])c3)nc2c1 509205 LZUOODYSXKQMRK-UHFFFAOYSA-N 325.393 4.447 5 40 EIBB O=C(/N=c1/[nH]c2ccc3ccccc3c2s1)c1ccc([N+](=O)[O-])cc1 15356968 YNOMIANUOXGMJK-UHFFFAOYSA-N 349.371 4.032 5 40 EIBB Fc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1CCCCC1 9419638 VCYYFBFIXHJOJC-UHFFFAOYSA-N 348.425 4.363 5 40 EIBB Cc1ccc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])c(Cl)c1 12555004 COYUEDKOGGANMK-UHFFFAOYSA-N 347.802 4.387 5 40 EIBB CCn1c([C@H](C)Nc2ccc(F)cc2[N+](=O)[O-])nc2ccccc21 95956412 VKOQEJSXFFMIGX-NSHDSACASA-N 328.347 4.277 5 40 EIBB CC(C)c1noc(-c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)n1 15833929 CNBCBOXFRPXSRF-LBPRGKRZSA-N 330.388 4.005 5 40 EIBB COc1ccc([C@@H]2CCCN2c2ccc3ncccc3c2[N+](=O)[O-])cc1 42110049 BPWORDAUAWGBIA-SFHVURJKSA-N 349.390 4.493 5 40 EIBB COc1ccc(OC(=O)c2ccc3nc4ccccc4nc3c2)cc1 408978017 XQRGQAAEEIVQRJ-UHFFFAOYSA-N 330.343 4.011 5 40 EIBB CCCCc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 5652251 RVYMUPKDCJKZMO-UHFFFAOYSA-N 348.424 4.047 5 40 EIBB Cc1cc(C(=O)Nc2ccc(OC3CCCC3)cc2)ccc1[N+](=O)[O-] 13668596 KVCVZDYTKWBVPK-UHFFFAOYSA-N 340.379 4.477 5 40 EIBB O=c1c([N+](=O)[O-])c(-c2ccccc2)oc2ccc(Br)cc12 1570003639 VTDTVOAYRLEPSB-UHFFFAOYSA-N 346.136 4.131 5 40 EIBB O=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 7438712 DLOPVJAXWUTJMN-UHFFFAOYSA-N 326.135 4.293 5 40 EIBB Cc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 11234051 YANSJXZOMSOXRR-QGZVFWFLSA-N 344.798 4.438 5 40 EIBB O=[N+]([O-])c1ccccc1Oc1nc(C(F)(F)F)nc2ccccc12 9740989 GISXGWLMBDJSBB-UHFFFAOYSA-N 335.241 4.349 5 40 EIBB CCOc1cc2c(cc1CNc1cccc(F)c1[N+](=O)[O-])O[C@H](C)C2 69326933 FVONASUAHUKRQY-LLVKDONJSA-N 346.358 4.068 5 40 EIBB Nc1ccc([N+](=O)[O-])cc1-c1nc(-c2cc(F)ccc2F)cs1 96003822 MDIDREWCBKUCNO-UHFFFAOYSA-N 333.319 4.246 5 40 EIBB O=[N+]([O-])c1ccc(SC2=NCCN2Cc2ccccc2)c(Cl)c1 1573974 LOMLRNLABDZHRP-UHFFFAOYSA-N 347.827 4.212 5 40 EIBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1Sc1ccccc1N 3207946 ZDHBGYOCQMYZHQ-UHFFFAOYSA-N 340.408 4.131 5 40 EIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)Cc1ccc(Cl)cc1 4657353 WJEDBSORWUWXEM-UHFFFAOYSA-N 339.178 4.391 5 40 EIBB C[N+]12CCCC[C@H]1[C@H](COc1ccccc1Br)CCC2 5575627 SEPYUZLOJMQPCJ-QAQDEBIESA-N 339.297 4.237 5 40 EIBB biogenic,in-vitro Cc1ccc(OCc2csc(-c3ccccn3)n2)c([N+](=O)[O-])c1 25078099 AWVYYBNKQCKUPJ-UHFFFAOYSA-N 327.365 4.001 5 40 EIBB O=C(O)[C@@H](Cc1cccc([N+](=O)[O-])c1)Sc1ccc(Cl)cc1 225126940 IMILARNEDZDMRG-CQSZACIVSA-N 337.784 4.036 5 40 EIBB O=[N+]([O-])c1cnc(N[C@H](CC2CCOCC2)c2ccccc2)s1 225696435 FGVWPMYXQIWINO-CQSZACIVSA-N 333.413 4.021 5 40 EIBB CSc1ccccc1NC(=O)c1coc2ccc([N+](=O)[O-])cc12 408968489 ZNPFTQMEWMMIBM-UHFFFAOYSA-N 328.349 4.315 5 40 EIBB O=C(O)c1cc(-c2ccccc2)nc2cc(Cl)c([N+](=O)[O-])cc12 1857793925 XJUDMBDAEOKMMV-UHFFFAOYSA-N 328.711 4.162 5 40 EIBB O=C(NC1c2ccccc2Oc2ccccc21)c1ccc([N+](=O)[O-])cc1 1865397 QRQFYNCKXPASSB-UHFFFAOYSA-N 346.342 4.220 5 40 EIBB Cc1cc(C)c(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)c1 7093570 SXNBRAQYESCVQZ-UHFFFAOYSA-N 344.436 4.392 5 40 EIBB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cccc([N+](=O)[O-])c1 12895817 YGQFYCPNQWNXMW-MRXNPFEDSA-N 330.771 4.129 5 40 EIBB C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 5559212 FTJBMDQGGICCPE-VIFPVBQESA-N 339.178 4.393 5 40 EIBB Cc1ccc(SCCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 15791024 AWKFGFAOSWKJRA-UHFFFAOYSA-N 330.409 4.333 5 40 EIBB Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)c1cc(C)n(C2CC2)c1C 31459878 FOPAXTBMVQDLGM-UHFFFAOYSA-N 342.395 4.227 5 40 EIBB COc1ccc2c(c1[N+](=O)[O-])CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 40533553 QDFCXLJPTBSDPF-QUHUKJRKSA-N 329.396 4.029 5 40 EIBB CN(Cc1cccc2ccccc12)c1nc2sccn2c1[N+](=O)[O-] 83864204 SEBOFMOPJJTVOY-UHFFFAOYSA-N 338.392 4.094 5 40 EIBB Cc1nc(NCc2ccc([N+](=O)[O-])cc2)c2c3c(sc2n1)CCC3 84271743 HDOSIDUCTUAXRA-UHFFFAOYSA-N 340.408 4.009 5 40 EIBB CC(=O)Nc1cc([N+](=O)[O-])cc(C)c1OCc1ccc(Cl)cc1 584904519 KWCGREJVOPRDGT-UHFFFAOYSA-N 334.759 4.094 5 40 EIBB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 14268881 XXDCRGONKMQHKG-CQSZACIVSA-N 339.395 4.226 5 40 EIBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(OC2CCCC2)cc1 29024675 ZEJRAWZTPBINCI-UHFFFAOYSA-N 340.379 4.097 5 40 EIBB C[N@+]12CCCC[C@H]1[C@H](COc1ccccc1Br)CCC2 247661029 SEPYUZLOJMQPCJ-URLQWDBASA-N 339.297 4.237 5 40 EIBB biogenic,in-vitro COc1cc(/C=C/c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC 6850227 HOEHIZLXKVARHG-BQYQJAHWSA-N 342.376 4.392 5 40 EIBB O=c1cc(Cn2cnc3ccccc32)c2c(ccc3ccccc32)o1 8342226 QMOFYDJLDPWTQZ-UHFFFAOYSA-N 326.355 4.344 5 40 EIBB Cc1ccc(C(=O)N2CCCSc3ccccc32)cc1[N+](=O)[O-] 32675983 ADFJJPOXUSEJRN-UHFFFAOYSA-N 328.393 4.046 5 40 EIBB CCN(Cc1csc(-c2ccco2)n1)Cc1ccccc1[N+](=O)[O-] 97679536 WPEFYEZEPCTCFE-UHFFFAOYSA-N 343.408 4.333 5 40 EIBB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 22533344 SKTOYAYUKHDVTR-SFHVURJKSA-N 342.395 4.121 5 40 EIBB O=C(Nc1ccc(SC2CCCC2)cc1)c1ccc([N+](=O)[O-])o1 30510779 DFNPNKQIKJTNLY-UHFFFAOYSA-N 332.381 4.475 5 40 EIBB O=C1c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccccc1 32579 NOYMRVYYBRJRGO-UHFFFAOYSA-N 344.326 4.062 5 40 EIBB Cc1ccc(-c2onc(C)c2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 35671915 SYYQFCLOHAHJAZ-UHFFFAOYSA-N 337.335 4.119 5 40 EIBB O=C(NCc1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1 4923461 IXQRLHWDADEFSK-UHFFFAOYSA-N 340.166 4.223 5 40 EIBB CC(C)n1nnnc1SCc1nc2ccccc2c2ccccc12 9322815 WBMKOMJPSUOTAI-UHFFFAOYSA-N 335.436 4.248 5 40 EIBB Cc1ccc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1[N+](=O)[O-] 12861826 BFFNIDSNHCWIDF-ZDUSSCGKSA-N 342.420 4.434 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1occc1COc1ccccc1 12888636 QRDGIPZEURJQHJ-UHFFFAOYSA-N 338.319 4.019 5 40 EIBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1OCc1ccccc1 60515384 RWTGMVIBLUVTGA-UHFFFAOYSA-N 348.358 4.426 5 40 EIBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 5568221 LZUJYANBVMKQIR-UHFFFAOYSA-N 329.114 4.293 5 40 EIBB CC[C@H]1C=C(c2ccc([N+](=O)[O-])cc2)O[C@@H](N2CCCCC2)[C@@H]1C 55178341 UKBFXKYZXNIXTF-ZRGWGRIASA-N 330.428 4.440 5 40 EIBB COc1cccc(C(=O)C[C@H](c2ccccc2)C(C)(C)[N+](=O)[O-])c1 1579393 JIOHXRCGQDGENL-QGZVFWFLSA-N 327.380 4.107 5 40 EIBB Cc1cc(C)c2sc(NC(=O)c3ccc([N+](=O)[O-])s3)nc2c1 2723985 AWPHALDQJFESJO-UHFFFAOYSA-N 333.394 4.135 5 40 EIBB O=[N+]([O-])c1ccc(NCCNCc2ccccc2Cl)c(Cl)c1 16449666 KAWOAWKLAYHJRA-UHFFFAOYSA-N 340.210 4.103 5 40 EIBB O=c1oc2ccccc2cc1-c1ccc([N+](=O)[O-])cc1Br 216938881 XOWMFLZNIRYJJB-UHFFFAOYSA-N 346.136 4.131 5 40 EIBB O=C(O)/C(=C\c1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 1722919 AGVDOKLGWOBWGX-LCYFTJDESA-N 337.253 4.239 5 40 EIBB Cc1cc2nc3sc4nc(-c5ccccc5)nn4c3nc2cc1C 104372555 IOQXUNKGYQVLSV-UHFFFAOYSA-N 331.404 4.171 5 40 EIBB CC1(C)[C@@]2(C)CC[C@]1(C(=O)O)c1nc3cc4ccccc4cc3nc12 72221188 RCDMZQUGLGNBCM-LEWJYISDSA-N 332.403 4.197 5 40 EIBB C[C@H](NC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1cccc([N+](=O)[O-])c1 86368628 NJYFZZKZPAOUCR-STQMWFEESA-N 343.383 4.184 5 40 EIBB Cc1ccc2c(=O)c3cc4[nH]c5cc(C)ccc5c(=O)c4cc3[nH]c2c1 91302174 SMNAVTCHDQBEEJ-UHFFFAOYSA-N 340.382 4.293 5 40 EIBB C[C@H]1CC[C@](C)(C(=O)CCOC(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C 3846196 CWZKOCPDFRUOKH-ORAYPTAESA-N 347.411 4.173 5 40 EIBB biogenic CC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1C 217943524 YOFHJNNJKJYXFL-KRWDZBQOSA-N 326.396 4.401 5 40 EIBB O=[N+]([O-])C1=Cc2c(ccc3ccccc23)O[C@@H]1c1ccc2c(c1)OCO2 91885 FFBOMGRVEIJACO-HXUWFJFHSA-N 347.326 4.320 5 40 EIBB O=C(CSc1ccc2ccccc2c1)Nc1ccc([N+](=O)[O-])cc1 5776197 YFGPYFGEXQCIKI-UHFFFAOYSA-N 338.388 4.479 5 40 EIBB CN(C(=O)Nc1cc2ccncc2c2ncccc12)c1ccccc1 408978150 YKQBCHBOOKRIIT-UHFFFAOYSA-N 328.375 4.451 5 40 EIBB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(C[N+](=O)[O-])=CC[C@@]43C)[C@@H]1CC[C@@H]2O 3849954 DTXNPOBNJOPXJO-RBZZARIASA-N 333.472 4.203 5 40 EIBB biogenic Cc1ccc(C2=NN[C@@H](c3c(Cl)cccc3[N+](=O)[O-])S2)cc1 4179985 UWPLPYMTTVJFID-OAHLLOKOSA-N 333.800 4.253 5 40 EIBB Cc1ccc(CSCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 6476561 OWSOMRXVHMHKEC-UHFFFAOYSA-N 330.409 4.084 5 40 EIBB CN(c1nc2sccn2c1[N+](=O)[O-])[C@H](c1ccc(F)cc1)C1CC1 72307713 BPECOGDOTUEIGU-ZDUSSCGKSA-N 346.387 4.031 5 40 EIBB CCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 8286182 UGUFILHRYIPNBN-UHFFFAOYSA-N 344.367 4.035 5 40 EIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(COc2ccccc2)cc1 15408247 ADJXKPAPVIYFFR-UHFFFAOYSA-N 348.358 4.426 5 40 EIBB O=C(O)/C=C/c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 33381300 OINFIUBIQMIRLK-UNXLUWIOSA-N 335.768 4.497 5 40 EIBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1F 225368531 DVFRVNPRLFFKKO-UHFFFAOYSA-N 329.114 4.293 5 40 EIBB O=Cc1cc([N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl 152852 ONMQLRAYSJPSDS-UHFFFAOYSA-N 326.135 4.293 5 40 EIBB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 25106171 ZBBVVZLLFICOFI-LLVKDONJSA-N 348.786 4.090 5 40 EIBB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cccc([N+](=O)[O-])c1C 38753510 MJSVRGHVJKUFLJ-QGZVFWFLSA-N 342.395 4.316 5 40 EIBB O=[N+]([O-])/C=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 107759533 XZMJMSDSKHUKFS-VOTSOKGWSA-N 334.715 4.075 5 40 EIBB Cc1cccnc1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 27651305 CNEYPKZZICZAJQ-UHFFFAOYSA-N 348.362 4.294 5 40 EIBB C[C@H]1C[C@H](C)CN(c2c(Cl)cc([N+](=O)[O-])cc2Br)C1 226316652 AVLXVPWEBRTLEK-IUCAKERBSA-N 347.640 4.493 5 40 EIBB COc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1Cl 408571182 OBLLLFNTOOGLDY-CQSZACIVSA-N 330.771 4.239 5 40 EIBB O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]1c1ccc(Cl)cc1 89780817 KLTRDCMDMJJLCG-KRWDZBQOSA-N 344.798 4.154 5 40 EIBB CC(C)NC(=S)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 408552415 TWYMFWWGLLOWGF-UHFFFAOYSA-N 347.465 4.441 5 40 EIBB O=[N+]([O-])c1cc(Cl)ccc1Cc1ccc(Cl)cc1[N+](=O)[O-] 1713547 BFCWWXMPXHWCJT-UHFFFAOYSA-N 327.123 4.401 5 40 EIBB Cc1ccccc1CSCC(=O)Nc1cccc([N+](=O)[O-])c1C 3380316 HDLFJNSFFNAISL-UHFFFAOYSA-N 330.409 4.084 5 40 EIBB O=C(CCCc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 4672935 AGROGKWLGKFRBN-UHFFFAOYSA-N 341.392 4.166 5 40 EIBB CCc1nc2c(c(C)c(C)n2CCCOC)c2nc3ccccc3n12 6665401 BZVFASOQNDGDHR-UHFFFAOYSA-N 336.439 4.053 5 40 EIBB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 10542751 MOKAOWISFQYECP-GFCCVEGCSA-N 332.787 4.356 5 40 EIBB CCCCCNC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 20160208 STDRGFYGDVRBFC-UHFFFAOYSA-N 326.805 4.383 5 40 EIBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 29240089 RMGIZPNJMXPCMC-JTQLQIEISA-N 338.285 4.105 5 40 EIBB Cc1c(C(=O)Nc2cccnc2Oc2ccccc2)cccc1[N+](=O)[O-] 36761081 OZJCUAHWWAFHKY-UHFFFAOYSA-N 349.346 4.343 5 40 EIBB O=C(N1CCCc2cc([N+](=O)[O-])ccc21)C12CC3CC(CC(C3)C1)C2 226794847 HSTLRLSOKAXRIS-UHFFFAOYSA-N 340.423 4.090 5 40 EIBB CC(C)[N+]12CCC(CC1)[C@@H](C(O)(c1ccccc1)c1ccccc1)C2 1247021 AZENWOFHMAQIEC-GJFCNDCISA-N 336.499 4.188 5 40 EIBB Cc1ccccc1N1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O 12289130 IZQUYIAHZOQSRD-GDNBJRDFSA-N 340.360 4.144 5 40 EIBB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 21619695 WCEYNHGVUNFFAI-OAHLLOKOSA-N 342.395 4.234 5 40 EIBB Cc1cc(N[C@H](CN2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] 71952022 OORCTFQHGRVEGU-GOSISDBHSA-N 325.412 4.152 5 40 EIBB CC(=O)c1ccc(Nc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])c1 225208911 PPSRBJKPTAMCDH-UHFFFAOYSA-N 340.257 4.440 5 40 EIBB Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C1CCCCC1 5866118 JOBNYVWCNJVQBJ-UHFFFAOYSA-N 332.429 4.292 5 40 EIBB O=[N+]([O-])c1ccccc1CN1CCC(c2c[nH]c3ccccc23)CC1 22277099 JFQQXGPOYAEJDU-UHFFFAOYSA-N 335.407 4.456 5 40 EIBB Cc1sc(C(=O)Nc2ccc3oc(C(C)C)nc3c2)cc1[N+](=O)[O-] 32818792 HIJYZQSSKRZLRW-UHFFFAOYSA-N 345.380 4.482 5 40 EIBB CCN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(F)cc1Cl 40087673 NFMDYUWQDDRLBP-UHFFFAOYSA-N 336.750 4.050 5 40 EIBB C[C@@H](c1nc2ccccc2s1)N(C)CCc1ccc([N+](=O)[O-])cc1 51877802 ZHKRTTQCLYHAPK-ZDUSSCGKSA-N 341.436 4.440 5 40 EIBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1c(Cl)cccc1Cl 5567393 OJESRGNQFQYPJR-UHFFFAOYSA-N 329.114 4.293 5 40 EIBB CC(=O)c1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 23224509 DKAFBKODSBETOB-UHFFFAOYSA-N 340.360 4.264 5 40 EIBB O=[N+]([O-])c1ccc(N2CCC(Nc3ccc(F)cc3)CC2)c(Cl)c1 59949798 YQYLTHUCGQWRBQ-UHFFFAOYSA-N 349.793 4.468 5 40 EIBB O=C(OCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])s1 2660939 MYKIBICKRICVMG-UHFFFAOYSA-N 346.389 4.137 5 40 EIBB Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)c1ccc(Cl)s1 29750836 RFOZDTNYWBKBPO-UHFFFAOYSA-N 325.773 4.188 5 40 EIBB O=C(Nc1ccccc1[N+](=O)[O-])C1[C@@H]2CCC[C@@H]1C2c1ccccc1 100547420 WCCLSRPUKLQPQP-QAQJPARQSA-N 336.391 4.363 5 40 EIBB CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1C 217896266 KGVDVKACIRFADF-BEBFYNPSSA-N 338.407 4.492 5 40 EIBB CCc1ccccc1NC(=O)CSCc1cccc([N+](=O)[O-])c1 408723708 BWAFNYOPFHDJHG-UHFFFAOYSA-N 330.409 4.029 5 40 EIBB CCN(CC)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 5321954 MGVVYAANZGSRGC-UHFFFAOYSA-N 347.802 4.347 5 40 EIBB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9515167 UOUFNHAQNITTHN-SNVBAGLBSA-N 336.800 4.368 5 40 EIBB CCc1ccccc1NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] 69707754 NXKIQUDAPWNFRP-UHFFFAOYSA-N 346.408 4.140 5 40 EIBB CCc1ccc(CNc2ncc(-c3cccc([N+](=O)[O-])c3)n2C)cc1 4678603 NQTFZTYUYQMUQL-UHFFFAOYSA-N 336.395 4.170 5 40 EIBB Cc1ccc(C(=O)Nc2cc(Cl)cc3cccnc23)cc1[N+](=O)[O-] 32753677 SRXDYEVVXICAOP-UHFFFAOYSA-N 341.754 4.357 5 40 EIBB CC1CCN(C(=S)Nc2ccc3nc4ccccc4nc3c2)CC1 6655128 OVCOWHCIZKXJAB-UHFFFAOYSA-N 336.464 4.212 5 40 EIBB COc1ccc(SCCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 10218015 KZYKFRADHCFTCG-UHFFFAOYSA-N 346.408 4.114 5 40 EIBB Cc1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c(C)c1 14258335 UOKRLZLKSVSJGL-UHFFFAOYSA-N 348.786 4.191 5 40 EIBB CCOC(=O)/C=C(/Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 3201310 FTGQTAIYWUFLOE-FOWTUZBSSA-N 329.377 4.291 5 40 EIBB CCOc1cccc2c1Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C=C2 3669830 JQDGZGVLPUPGEK-UHFFFAOYSA-N 328.280 4.178 5 40 EIBB biogenic CCOc1ccc(-c2csc(-c3cc([N+](=O)[O-])ccc3N)n2)cc1 96003821 AEZBUPRNXRWYPH-UHFFFAOYSA-N 341.392 4.366 5 40 EIBB CC[C@H](C)[C@@H](C(=O)OCCC[N+]1(C)CCCCC1)c1ccccc1 1726482 HCEGVHWGWQUIJQ-AZUAARDMSA-N 332.508 4.380 5 40 EIBB Cc1occc1-c1nnc(S[C@H](C)c2cccc([N+](=O)[O-])c2)n1C 7554344 CNVMOYQAFBZXBE-LLVKDONJSA-N 344.396 4.145 5 40 EIBB CCc1ccc(O[C@@H](CC)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 222885347 QENPSAYZJJOTNI-SFHVURJKSA-N 342.395 4.262 5 40 EIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(C(F)(F)F)cc1 3566810 LLPCXWMOWWDABH-RUDMXATFSA-N 336.269 4.266 5 40 EIBB CCN(Cc1cccc(F)c1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 18150795 CBYFQRSLDQFRSL-UHFFFAOYSA-N 348.399 4.118 5 40 EIBB O=C(Nc1ccc2[nH]c3ccccc3c2c1)c1cccc([N+](=O)[O-])c1 44781725 TXEFHJVTTKWUER-UHFFFAOYSA-N 331.331 4.482 5 40 EIBB Cn1cnc([N+](=O)[O-])c1Nc1ccc(OC2CCCC2)c(Cl)c1 84331811 VROWIXBJMZGOOH-UHFFFAOYSA-N 336.779 4.047 5 40 EIBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(OC)c(C)c1 225280268 YTZVHYLJLHCYMD-INIZCTEOSA-N 342.395 4.101 5 40 EIBB COc1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1 273895 JZFWVKZAAIUNLO-UHFFFAOYSA-N 345.354 4.207 5 40 EIBB Cc1cc(C)cc(CSCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 6456569 ICVPOILZJJYDQY-UHFFFAOYSA-N 344.436 4.392 5 40 EIBB Cc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1[N+](=O)[O-] 9456432 UMWNNFQSSZDIRI-UHFFFAOYSA-N 340.257 4.054 5 40 EIBB CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 11169069 XRXDBZFPDWJUJH-NSHDSACASA-N 348.786 4.138 5 40 EIBB COc1ccc2nc(/C=C/c3ccc(O)c([N+](=O)[O-])c3)sc2c1 13017868 WYCMZXGVZANCSM-XVNBXDOJSA-N 328.349 4.089 5 40 EIBB COc1ccc(NC(=O)N[C@@H](C)c2cc(C)ccc2C)c([N+](=O)[O-])c1 32895376 JDJYSDLNCSDCMB-ZDUSSCGKSA-N 343.383 4.103 5 40 EIBB O=C(c1ccccc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1 5819196 KQYIXAXUFKWJNO-UHFFFAOYSA-N 343.342 4.369 5 40 EIBB O=[N+]([O-])c1ccc(NC2CCN(Cc3ccccc3)CC2)c(Cl)c1 8148289 RMDLJKUKXHHAKP-UHFFFAOYSA-N 345.830 4.325 5 40 EIBB COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(C)c(Cl)c1 17070668 PHIYFJPXWPFOMY-UHFFFAOYSA-N 335.747 4.209 5 40 EIBB C[C@@H]1CCCCN1CCCCNc1ccc([N+](=O)[O-])c2cccnc12 71811037 QSEVNZYPMDTJOJ-OAHLLOKOSA-N 342.443 4.210 5 40 EIBB CC(C)Oc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 219737166 RMTBXPZFOSANPI-UHFFFAOYSA-N 334.759 4.288 5 40 EIBB Cc1cc(C)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C 223401593 OJNVIYBYPYOEIZ-HNNXBMFYSA-N 326.396 4.319 5 40 EIBB CC[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)c(C)c1 223653828 TYDMSYCINNIKPF-MRXNPFEDSA-N 342.395 4.101 5 40 EIBB CC(C)Oc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1 4028954 XGTLNLLQOKXQNE-RUYIAYPLSA-N 346.491 4.040 5 40 EIBB CCN(CC)c1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 5393330 JWQUUKBOKJYPPQ-UHFFFAOYSA-N 347.802 4.347 5 40 EIBB Cc1ccc(OCc2cc(Cl)c3c(c2)OCCCO3)c([N+](=O)[O-])c1 19297555 MMLXKBLMRZPKIU-UHFFFAOYSA-N 349.770 4.297 5 40 EIBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccccc1)C1CC1 24753927 SOJIMOVHGLCUDD-UHFFFAOYSA-N 330.771 4.053 5 40 EIBB COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 30755784 QVGFPPISLXTAAK-GOSISDBHSA-N 342.395 4.121 5 40 EIBB CC1CCN(c2c(Cl)cc(Br)cc2[N+](=O)[O-])CC1 45958961 GDCXHZJWKAMGRO-UHFFFAOYSA-N 333.613 4.247 5 40 EIBB Cc1oc(-c2ccccc2)nc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 390833132 CNHMAPIHCCWTCV-ZDUSSCGKSA-N 337.379 4.409 5 40 EIBB COc1ccc(NC(=O)Nc2cc3ncccc3c3cccnc23)cc1 408978367 YZFSOUIMFKKMTQ-UHFFFAOYSA-N 344.374 4.436 5 40 EIBB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C 14013316 VXKKBKIFIPEXGA-KRWDZBQOSA-N 328.368 4.008 5 40 EIBB CCCCC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1672199 IBJBKYZEIOYPSZ-UHFFFAOYSA-N 327.336 4.187 5 40 EIBB Cc1cc(Cl)ccc1NC(=O)CCCNc1ccccc1[N+](=O)[O-] 12554641 YOSWFJBGOMGFTG-UHFFFAOYSA-N 347.802 4.387 5 40 EIBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccc(F)cc1)C1CC1 12938581 REKYVJLWSLLHNN-UHFFFAOYSA-N 348.761 4.192 5 40 EIBB CCCCOc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1839759 XCOUFSSRHCFJDJ-UHFFFAOYSA-N 332.312 4.474 5 40 EIBB Cc1cccc(C(=O)Nc2ccccc2SC(F)F)c1[N+](=O)[O-] 9455169 JIYUDHBIYFOWKI-UHFFFAOYSA-N 338.335 4.470 5 40 EIBB O=C(c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)N1CCCCC1 59843399 FZTHICFWXDKCFX-UHFFFAOYSA-N 334.759 4.134 5 40 EIBB COc1ccccc1NC(=O)c1cc2c(ccc3ccccc32)oc1=N 4764727 ZQLJEEUORAVKHP-UHFFFAOYSA-N 344.370 4.326 5 40 EIBB CCC[C@H](NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 8448638 ZTBGDNACFJEPIL-KSSFIOAISA-N 342.395 4.020 5 40 EIBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(C)cc1C 218132814 PZPIGALXNWJOGS-QGZVFWFLSA-N 326.396 4.401 5 40 EIBB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cccc([N+](=O)[O-])c1 560695 ILRXAPQJZNXWHL-QPEQYQDCSA-N 334.253 4.106 5 40 EIBB CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[N+]2(C)CCCC2)cc1 17112799 LOEMEACAKGWBOL-IBGZPJMESA-N 348.551 4.381 5 40 EIBB Cc1cc([N+](=O)[O-])c2nc(Nc3nc4ccccc4o3)sc2c1 57352545 RKOWKZPRWGTYEF-UHFFFAOYSA-N 326.337 4.398 5 40 EIBB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 5105928 UKGJFCGRUXRPKB-SNVBAGLBSA-N 336.800 4.368 5 40 EIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCSCc1ccccc1 7685277 ZHVZYTRAXNFRTK-UHFFFAOYSA-N 330.409 4.165 5 40 EIBB O=[N+]([O-])c1ccc(Sc2nnc(C3CC3)n2C2CC2)c(Cl)c1 9386753 SHFKQFXCHLQGOD-UHFFFAOYSA-N 336.804 4.203 5 40 EIBB CC[C@H](C)N(C(=S)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)CC 17071135 CEEORMKDHNWNLI-RYUDHWBXSA-N 339.461 4.199 5 40 EIBB O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccc(Cl)cc1Cl 19231725 FIWXOSUYXKVQJM-UHFFFAOYSA-N 327.123 4.343 5 40 EIBB CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 44087107 UPABARIWRRLYKT-UHFFFAOYSA-N 329.356 4.309 5 40 EIBB COc1ccc(Br)cc1-c1nc2ccc([N+](=O)[O-])cc2o1 216730736 YMHUAEIHHVAMKD-UHFFFAOYSA-N 349.140 4.174 5 40 EIBB Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(C)(C)C)cc1 4062652 NDTIELZWVFOERH-UHFFFAOYSA-N 348.424 4.002 5 40 EIBB O=[N+]([O-])c1cc(-c2nc3ccccc3s2)ccc1N1CCCC1 4866817 OHBRFWUDEBHLSQ-UHFFFAOYSA-N 325.393 4.472 5 40 EIBB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 7080078 CHYORKXMHSUACN-ZDUSSCGKSA-N 342.395 4.434 5 40 EIBB CCc1cccc(C)c1NC(=S)Nc1ccc([N+](=O)[O-])cc1OC 17072012 WULUOYPHRHRIAR-UHFFFAOYSA-N 345.424 4.283 5 40 EIBB CN(Cc1c(F)cccc1Cl)C(=O)/C=C/c1ccccc1[N+](=O)[O-] 21197566 CJBQWQGVRCZEFD-MDZDMXLPSA-N 348.761 4.059 5 40 EIBB Cc1cc(C(=O)Nc2c(Cl)cccc2Cl)ccc1[N+](=O)[O-] 311807 JHORMWUZBLDZAN-UHFFFAOYSA-N 325.151 4.462 5 40 EIBB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 8493091 WHQOUXQHXCBENJ-OAHLLOKOSA-N 334.759 4.044 5 40 EIBB CC(=O)c1c(O)c(Nc2ccccc2)cc2nc3ccccc3nc12 104150356 RTPNFHHKPQEMIO-UHFFFAOYSA-N 329.359 4.435 5 40 EIBB C[N@+]12CCCC[C@@H]1[C@H](COc1ccccc1Br)CCC2 247661030 SEPYUZLOJMQPCJ-ZSZQSSIHSA-N 339.297 4.237 5 40 EIBB biogenic,in-vitro COc1ccc(Cl)cc1C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 26942879 KPCVULFMBCLPHM-NSHDSACASA-N 348.786 4.090 5 40 EIBB O=C(Nc1cccnc1Oc1ccccc1)c1ccccc1[N+](=O)[O-] 36759552 CDCNVLNWQDNDPN-UHFFFAOYSA-N 335.319 4.034 5 40 EIBB Cc1cccc(C)c1OCCNc1ccc([N+](=O)[O-])c2cccnc12 59463913 ZUEZFZJDEVTQMW-UHFFFAOYSA-N 337.379 4.251 5 40 EIBB Cc1cccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 1773804 XLCQFCJKDDUNSY-UHFFFAOYSA-N 328.368 4.009 5 40 EIBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1csc(-c2cccs2)n1 13018254 XVXJQRIFAFJEKN-UHFFFAOYSA-N 349.368 4.171 5 40 EIBB COc1cc(/C=C/c2nc3ccccc3s2)cc([N+](=O)[O-])c1O 34889415 ZYHIOKRKLLAIMZ-VOTSOKGWSA-N 328.349 4.089 5 40 EIBB Cc1cc(C)c([C@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1C 223394647 BYPDQHQLVYZRAN-FDMDGMSGSA-N 338.407 4.411 5 40 EIBB Cc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C 8477868 NRKDAUPLXZHVFC-LBPRGKRZSA-N 348.786 4.271 5 40 EIBB CCSc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 20041183 IDIOZVAEXQFZRZ-ZHACJKMWSA-N 328.393 4.359 5 40 EIBB Cc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 3603015 JEFIDCUZFZROFQ-UHFFFAOYSA-N 339.178 4.140 5 40 EIBB O=[N+]([O-])c1ccccc1Cn1ccc2cc(Br)ccc21 6756799 VBHJSQHUEXGEJN-UHFFFAOYSA-N 331.169 4.360 5 40 EIBB O=C(NCC1(c2ccccc2)CCC1)c1cc(Cl)ccc1[N+](=O)[O-] 10221873 NFJYRBFXSWVXBP-UHFFFAOYSA-N 344.798 4.100 5 40 EIBB CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(C)c(C)c1 217877232 WOZAGGYLXUEQOC-KRWDZBQOSA-N 326.396 4.401 5 40 EIBB O=[N+]([O-])c1c(Cl)sc(NCc2cccc(Cl)c2)c1[N+](=O)[O-] 5248958 HWSNZUGZVVMWMK-UHFFFAOYSA-N 348.167 4.483 5 40 EIBB CC[C@@H](COC(=O)c1ccc([N+](=O)[O-])cc1)NCCC1CCCCC1 6411970 LTXZXLGWNMJNAS-KRWDZBQOSA-N 348.443 4.090 5 40 EIBB O=[N+]([O-])c1cc2c(cc1I)oc1ccccc12 1857794441 FBKJBOZDDUZQBU-UHFFFAOYSA-N 339.088 4.099 5 40 EIBB CCCCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc21 4919211 SMQMIJFORQHTSM-UHFFFAOYSA-N 333.391 4.081 5 40 EIBB CC(=O)N(C(C)=O)c1ccc2ccc3cc([N+](=O)[O-])cc4ccc1c2c34 5553331 XGHAQRXWGDOMAA-UHFFFAOYSA-N 346.342 4.392 5 40 EIBB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 10542752 MOKAOWISFQYECP-LBPRGKRZSA-N 332.787 4.356 5 40 EIBB Cc1nc(-c2ccc(CNc3ccc([N+](=O)[O-])cc3F)o2)cs1 32923336 YTMTYCMUHHABPB-UHFFFAOYSA-N 333.344 4.371 5 40 EIBB O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCC[C@H]23)cc1 409190976 XLQFPKLJXUOQJX-XOKHGSTOSA-N 330.771 4.493 5 40 EIBB C[C@@H](CC[N+](C)(C)C)OC(=O)c1ccc([C@H](C)c2ccccc2)o1 1906520 FGPQKYITWNJHON-JKSUJKDBSA-N 330.448 4.073 5 40 EIBB biogenic CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 222983521 CTWPZKJPHSZLEH-KRWDZBQOSA-N 328.368 4.008 5 40 EIBB O=[N+]([O-])c1ccc(Nc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 5899660 GTBUJYUMMJNXDF-UHFFFAOYSA-N 343.217 4.145 5 40 EIBB O=C(Nc1c(Cl)cc(F)cc1Cl)c1ccc([N+](=O)[O-])cc1 95452376 QJGOWYUMWALYBJ-UHFFFAOYSA-N 329.114 4.293 5 40 EIBB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 1440953 FYSJIAKYBUPTTL-UHFFFAOYSA-N 328.221 4.005 5 40 EIBB C[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 8053897 OQMGIZXUBJFXJA-CQSZACIVSA-N 347.374 4.394 5 40 EIBB C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2S1 11055839 IDEMCPALXPFAPV-LBPRGKRZSA-N 328.393 4.126 5 40 EIBB CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(C)cc1 22525996 CXSYXKLFXJLPCQ-INIZCTEOSA-N 332.787 4.438 5 40 EIBB O=[N+]([O-])c1cc(F)ccc1NCc1ccccc1CN1CCCCC1 37122335 FGROMNCOHXTIET-UHFFFAOYSA-N 343.402 4.332 5 40 EIBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1c(Cl)cccc1Cl 478473 JWYOJIRIPBNLBO-UHFFFAOYSA-N 325.151 4.083 5 40 EIBB CCOc1ccc2ncc3c(-c4ccc([N+](=O)[O-])cc4)n[nH]c3c2c1 67341200 RYIWRGIYYVVKKD-UHFFFAOYSA-N 334.335 4.085 5 40 EIBB C[C@H](Sc1nnc(Cc2ccccc2)o1)c1cccc([N+](=O)[O-])c1 7298002 UEPBMOLRRFTEQZ-LBPRGKRZSA-N 341.392 4.422 5 40 EIBB Cc1cccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)c1[N+](=O)[O-] 21835569 YOQKLLDQTJEFIN-KRWDZBQOSA-N 326.396 4.420 5 40 EIBB Cc1cc(C)cc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1 426931 JIWBMVHBKOCABG-UHFFFAOYSA-N 327.383 4.121 5 40 EIBB CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(C)c1 225753387 WZZBPOUEVSZVGK-MRXNPFEDSA-N 342.395 4.101 5 40 EIBB Cc1ccc(Cl)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 225991034 WFMYZYVWQNRGOW-UHFFFAOYSA-N 330.771 4.227 5 40 EIBB O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3Cl)n[nH]2)cc1 9197977 URTDETSHSBGDJT-UHFFFAOYSA-N 346.799 4.326 5 40 EIBB O=[N+]([O-])c1ccc(N2CCC[C@H]2c2nc3ccccc3[nH]2)c(Cl)c1 79097755 HCUJEPYOLLHMRI-INIZCTEOSA-N 342.786 4.466 5 40 EIBB COc1ccc([C@H](Nc2nc3sccn3c2[N+](=O)[O-])C(C)C)cc1 8338286 XUQXAIJWTILWQK-CYBMUJFWSA-N 346.412 4.122 5 40 EIBB O=[N+]([O-])c1ccc(CNN2[C@H]3CCCC[C@@H]3C[C@H]3CCCC[C@H]32)cc1 19169395 XVQZTFSRIZIHRA-LFGUQSLTSA-N 343.471 4.423 5 40 EIBB CC(C)CCN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 48332795 BJMNEMGJRZFUEB-UHFFFAOYSA-N 325.796 4.291 5 40 EIBB CCN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1)C(C)C 4895740 FJWITSJFKMSZIF-UHFFFAOYSA-N 341.411 4.390 5 40 EIBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl 6057095 GLPMPGLHHJYUGZ-UHFFFAOYSA-N 326.135 4.259 5 40 EIBB Cc1c(CSc2nnc(-c3ccc(F)cc3)o2)cccc1[N+](=O)[O-] 42106858 NKJIPKAMHDKTPE-UHFFFAOYSA-N 345.355 4.385 5 40 EIBB COc1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cccc2C)cc1SC 69581756 WEDWRASDZYLQRJ-UHFFFAOYSA-N 346.408 4.194 5 40 EIBB CC[N+](C)(CC)CC[N+](C)(CCc1ccccc1)Cc1ccccc1 5469380 RJLFBBSBIUUXKI-UHFFFAOYSA-N 340.555 4.362 5 40 EIBB COC(=O)[C@@]12CC[C@@](C)(c3nc4cc5ccccc5cc4nc31)C2(C)C 85398837 WUPKUQYIWMPOFJ-FCHUYYIVSA-N 346.430 4.285 5 40 EIBB CC[C@@H](C)[C@@H](C(=O)OCC[N+](C)(CC)CC)c1ccc(C)c(C)c1 1726203 ZHRSBUKHFWYWPO-OXQOHEQNSA-N 334.524 4.463 5 40 EIBB CC(C)Oc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1 5230892 XGTLNLLQOKXQNE-LCODYBDSSA-N 346.491 4.040 5 40 EIBB CC[C@@H](CO)Nc1nc2ccc(Br)cc2c2ccccc12 31719278 RXIKBPCNBYLLTD-LBPRGKRZSA-N 345.240 4.333 5 40 EIBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)Cc1ccc2c(c1)CCCC2 72313699 LAYHCOLETSMBJE-UHFFFAOYSA-N 338.407 4.272 5 40 EIBB CC(=O)c1ccc(NC(=O)c2ccc3nc4ccccc4nc3c2)cc1 96582897 CIEOCCVHDFBBBH-UHFFFAOYSA-N 341.370 4.238 5 40 EIBB O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCc2sccc2C1 10924120 DNGZLQREHFUAAB-UHFFFAOYSA-N 344.417 4.070 5 40 EIBB Cc1ccc(-n2c(C)nnc2SCc2cccc([N+](=O)[O-])c2)cc1 28368534 SWXWFDVTLBBHID-UHFFFAOYSA-N 340.408 4.085 5 40 EIBB CCOc1ccc2c(c1)CN(c1ccc([N+](=O)[O-])c3cccnc13)CC2 63992381 MRDCLNYCGLBWQY-UHFFFAOYSA-N 349.390 4.104 5 40 EIBB CC1CCN(C(=S)Nc2cc3ccncc3c3ncccc23)CC1 408976164 PXJLIVFDLSVVPD-UHFFFAOYSA-N 336.464 4.212 5 40 EIBB COc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 4616792 CFGHDZNCOZNHFS-UHFFFAOYSA-N 341.150 4.163 5 40 EIBB C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2S1 12882968 ZQDNWAAAFXLLMQ-GFCCVEGCSA-N 328.393 4.126 5 40 EIBB O=C(Sc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1Cl 19142126 OTKJNGCQVWGFQB-UHFFFAOYSA-N 333.756 4.057 5 40 EIBB COc1cc(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(C)C 225659030 ZQEPBRKXDOXDSR-UHFFFAOYSA-N 328.368 4.288 5 40 EIBB O=C(OCc1csc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 3220228 URPZMEAOJZOGBW-UHFFFAOYSA-N 340.360 4.075 5 40 EIBB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])s1 3339644 PJSLBYASXXJDHT-UHFFFAOYSA-N 331.378 4.032 5 40 EIBB O=C(Nc1ccc(Cl)c2ncsc12)c1ccc([N+](=O)[O-])s1 7598815 AWEFRJWIEKTQFK-UHFFFAOYSA-N 339.785 4.172 5 40 EIBB Cc1nnc(CSc2nc3ccccc3c3nc4ccccc4n23)o1 9367299 PZECQPCNCPUECZ-UHFFFAOYSA-N 347.403 4.019 5 40 EIBB CCCCOc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 4071168 LQDKPFXBPUNCAV-UHFFFAOYSA-N 344.367 4.035 5 40 EIBB Cc1ccc(SCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 15411299 AJJYZASVZWLVIR-UHFFFAOYSA-N 330.409 4.333 5 40 EIBB Cc1sc(C(=O)Nc2cccc(-n3cccc3)c2)cc1[N+](=O)[O-] 58208830 OMFJXZDBHLVQKX-UHFFFAOYSA-N 327.365 4.008 5 40 EIBB CC1CCN(CC2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)CC1 58418545 NSQHVPAOOHZCSN-KRWDZBQOSA-N 345.487 4.100 5 40 EIBB O=C(Nc1ccccc1OC(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 557771 LOJHQWJYKUHYJN-UHFFFAOYSA-N 342.685 4.102 5 40 EIBB CCn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccccc21 8691855 XNIOGIPUKPQXGK-UHFFFAOYSA-N 344.352 4.024 5 40 EIBB O=c1[nH]c2ccccc2cc1/C=C/c1nc2cc([N+](=O)[O-])ccc2s1 27542619 GLIKXMKQSMKMSO-VMPITWQZSA-N 349.371 4.216 5 40 EIBB COc1cc([N+](=O)[O-])cc(Br)c1NC1CCCCC1 45958889 OKTFYALJYIGFHX-UHFFFAOYSA-N 329.194 4.111 5 40 EIBB