smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 2597263 WJLWAMHSDWVEHN-UHFFFAOYSA-N 333.771 4.765 5 50 EJBA O=C(Nc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl 4583049 JYSLAILXIQDBOY-UHFFFAOYSA-N 326.139 4.546 5 50 EJBA N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1ccccc1Cl 17072474 SKFPMOHGBADEPN-UHFFFAOYSA-N 348.789 4.971 5 50 EJBA Cc1cc(C)cc(NC(=O)c2cc3c(ccc4ccccc43)oc2=N)c1 17071524 GDUHJQWITSKWGP-UHFFFAOYSA-N 342.398 4.935 5 50 EJBA C[C@@H](Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12)c1ccccc1 3878825 RFANQQXGARXPKX-GFCCVEGCSA-N 337.335 4.829 5 50 EJBA COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc12 1165273 OSKHHVAANPGEID-UHFFFAOYSA-N 341.750 4.641 5 50 EJBA COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O 95910230 DGGQUKOLHQXDLV-QTNXRKSWSA-N 342.435 4.698 5 50 EJBA biogenic,in-vitro Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 314897 DDXJXKZBJGZAPS-XYOKQWHBSA-N 338.407 4.853 5 50 EJBA CCCCn1c2ccccc2c2nc3cc(OC)c(OC)cc3nc21 2475944 KGFVJZVJMPARTB-UHFFFAOYSA-N 335.407 4.555 5 50 EJBA O=C(Nc1ccc2ccccc2c1)c1ccc(Cl)cc1[N+](=O)[O-] 473348 IBFCVOGZWGKFOY-UHFFFAOYSA-N 326.739 4.654 5 50 EJBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccc(Cl)c2)o1 5101476 AQEVXZHMRSKAEN-UHFFFAOYSA-N 342.738 4.761 5 50 EJBA Cc1c(C(=O)Nc2ccccc2-c2ccccc2)cccc1[N+](=O)[O-] 272495 ZFOHHGPJVGYYCY-UHFFFAOYSA-N 332.359 4.823 5 50 EJBA Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 145253 KIVGFBNAKHSVPC-UHFFFAOYSA-N 339.178 4.771 5 50 EJBA CCCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 2897592 FUTUGUHWEHBAFG-UHFFFAOYSA-N 348.786 4.679 5 50 EJBA Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(C(C)C)cc1 4657352 OIIAKPLQACESNL-UHFFFAOYSA-N 332.787 4.932 5 50 EJBA CCCCc1ccc(NC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 5591170 AFOYZHGIZCAAKC-UHFFFAOYSA-N 328.368 4.686 5 50 EJBA CC(/C=C\C=C(/C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O 1772715490 PANKHBYNKQNAHN-KZALKWPTSA-N 328.408 4.609 5 50 EJBA biogenic O=[N+]([O-])c1cccc(-c2noc(-c3c(Cl)cccc3Cl)n2)c1 466811 HUMLABVMTZNBTB-UHFFFAOYSA-N 336.134 4.619 5 50 EJBA C[C@@H]1[C@@H]2CCCN2CCN1Cc1c2ccccc2cc2ccccc12 23471814 TWQLIIWDBXNQRR-HXOBKFHXSA-N 330.475 4.662 5 50 EJBA CC[C@H](C)c1ccc(NC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 5666027 IVFBLAKCJWAHLB-ZDUSSCGKSA-N 328.368 4.857 5 50 EJBA O=C(Nc1cccc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 241705 DAUUMOUZFNOINO-UHFFFAOYSA-N 326.739 4.654 5 50 EJBA O=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccc(Cl)cc2)CCCC1 620405 XFNUBPVXOSXUKX-UHFFFAOYSA-N 344.798 4.699 5 50 EJBA COc1ccc2c([N+](=O)[O-])c(Sc3ccc(Cl)cc3)[nH]c2c1 617108 QKBGPKPHAXCKNV-UHFFFAOYSA-N 334.784 4.889 5 50 EJBA CC(C)(C)c1ccc(/C=C/C(=O)Oc2cccc([N+](=O)[O-])c2)cc1 302016 GDFUBFRSXBZRPI-FMIVXFBMSA-N 325.364 4.511 5 50 EJBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC12CC3CC(CC(C3)C1)C2 4821311 SMFSKNNLLXFPPE-UHFFFAOYSA-N 340.345 4.994 5 50 EJBA Cc1c(C(=O)OC(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 466887 CXYIRHOUSRUMOR-UHFFFAOYSA-N 347.370 4.850 5 50 EJBA Cc1ccccc1NC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 4857603 LWHLAJIFJBTDPK-UHFFFAOYSA-N 348.358 4.948 5 50 EJBA O=C(Nc1ccc2ccccc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 353641 MDCTWISLGRZRRH-UHFFFAOYSA-N 326.739 4.654 5 50 EJBA CCOC(=O)[C@@H]1CCCCN1Cc1c2ccccc2cc2ccccc12 4987345 ZDIZOZCYVOUPAU-QFIPXVFZSA-N 347.458 4.911 5 50 EJBA CC(C)COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 447518 SBWSACKZJDPSQF-UHFFFAOYSA-N 348.786 4.535 5 50 EJBA Cc1cccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c1C 4866657 BBDJAMRMVAFKLP-UHFFFAOYSA-N 343.382 4.815 5 50 EJBA COC[C@H](Nc1cccc(Cl)c1[N+](=O)[O-])c1ccc2[nH]ccc2c1 2325828528 JWDHVFVZVVUKPK-INIZCTEOSA-N 345.786 4.529 5 50 EJBA COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccccc1C(C)C 17072006 HDONHTWXBGEHAV-UHFFFAOYSA-N 345.424 4.536 5 50 EJBA Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc2ccccc12 44560083 POYIRIYKHAJDHS-CQSZACIVSA-N 334.375 4.547 5 50 EJBA CCN(Cc1ccccc1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 4985822 LEFZHNZNCQWAOQ-UHFFFAOYSA-N 336.391 4.877 5 50 EJBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cc1ccccc1 5060672 XMYLLVPJGNIPCJ-UHFFFAOYSA-N 347.374 4.830 5 50 EJBA O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1N1CCCCCC1 3904836 NECZHNVYJABXSC-UHFFFAOYSA-N 348.406 4.585 5 50 EJBA O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 125235 BVHYZWAMYFVJFH-UHFFFAOYSA-N 326.139 4.546 5 50 EJBA CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nc(=S)c2c1CCCC2 202433 YPIOIFKGDDLRCC-UHFFFAOYSA-N 343.452 4.723 5 50 EJBA Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)csc1-c1ccccc1 308578 VQSIMGZYWMLUOD-UHFFFAOYSA-N 338.388 4.884 5 50 EJBA CCCC[N+](C)(CCCC)C[C@@H](O)COc1ccc2ccccc2c1 2665520 QEDZLEPMSZWYJM-OAQYLSRUSA-N 344.519 4.626 5 50 EJBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccc(Cl)c2)o1 452334 RDISZCJWILWCTO-UHFFFAOYSA-N 342.738 4.761 5 50 EJBA O=C(Nc1ccccc1Oc1ccccc1)c1cccc([N+](=O)[O-])c1 312803 WPEFRVLFTSYXQL-UHFFFAOYSA-N 334.331 4.639 5 50 EJBA Cc1ccc(NC(=S)Nc2ccc(F)cc2[N+](=O)[O-])cc1Cl 13840569 GWQZYSFDCRCZPP-UHFFFAOYSA-N 339.779 4.505 5 50 EJBA O=[N+]([O-])c1ccc(CSc2nc3cc4ccccc4cc3[nH]2)cc1 5050091 MMWLGQHHVLPOKK-UHFFFAOYSA-N 335.388 4.917 5 50 EJBA O=[N+]([O-])c1ccc2nc(SCc3c[nH]c4ccccc34)sc2c1 2909310 SXIPWXIMVNGXAG-UHFFFAOYSA-N 341.417 4.978 5 50 EJBA Cc1c(C(=O)OCc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 3444486 OBVBJMPKDKWUFN-UHFFFAOYSA-N 340.162 4.567 5 50 EJBA Cc1ccc(C(=O)Oc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 22340355 KWOUTUXTJLVLMC-UHFFFAOYSA-N 349.342 4.915 5 50 EJBA O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccc([N+](=O)[O-])c1 4322718 BTMRRAJNHSCHHJ-UHFFFAOYSA-N 332.315 4.747 5 50 EJBA O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 58638454 MUOKSQABCJCOPU-UHFFFAOYSA-N 349.777 4.878 5 50 EJBA in-man O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)c(Cl)c1 2879099 GHTQUTUILHBWJO-UHFFFAOYSA-N 336.134 4.619 5 50 EJBA COc1cccc(COc2ccc3c(oc(=O)c4ccccc43)c2C)c1 457792 FVQGKKXPDQACEJ-UHFFFAOYSA-N 346.382 4.842 5 50 EJBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC=C(c2ccccc2)CC1 4998788 XWGHNCQKENXXSH-UHFFFAOYSA-N 348.324 4.907 5 50 EJBA O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 5338452 ARBSEGGUPPCQOT-UHFFFAOYSA-N 333.347 4.591 5 50 EJBA O=C(Nc1ccccc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 2881044 SHFCYDYJDDCCKN-UHFFFAOYSA-N 334.331 4.639 5 50 EJBA O=[N+]([O-])c1c(Nc2ccc(Oc3ccccc3)cc2)ccc2nonc12 3879188 ZIAIKCODYNHHTQ-UHFFFAOYSA-N 348.318 4.667 5 50 EJBA O=C(c1ccc([N+](=O)[O-])o1)N1c2ccccc2Sc2ccccc21 33786 UTWXYDAVYSKTMJ-UHFFFAOYSA-N 338.344 4.631 5 50 EJBA COc1ccc2c(c1)N(Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C=C2C 173833 HGNURZFKFDKSOL-UHFFFAOYSA-N 338.407 4.806 5 50 EJBA O=[N+]([O-])c1ccc2oc(C=C3CCCCC3)c(N3CCOCC3)c2c1 4147148 BSVFZBCADXXWBS-UHFFFAOYSA-N 342.395 4.525 5 50 EJBA O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 455425 FYUIDYXCDFDEPJ-UHFFFAOYSA-N 344.676 4.519 5 50 EJBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1Cl 1957350 NMCRJVIBLCARGX-BQYQJAHWSA-N 337.162 4.554 5 50 EJBA CC[C@](C)([N+](=O)[O-])C(C)(C)c1ccc(C(=O)c2ccccc2)cc1 3080760 QMKCRAPASOFFPS-FQEVSTJZSA-N 325.408 4.641 5 50 EJBA O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc2ccccc12 567707 HKZPHSZYGPAAHN-UHFFFAOYSA-N 349.371 4.610 5 50 EJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(C(F)(F)F)c1 1752682 QOQKGEVYRROSFO-UHFFFAOYSA-N 339.273 4.566 5 50 EJBA Cc1cccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1C 310186 HHUOBCUDCMYSQQ-VQHVLOKHSA-N 330.771 4.517 5 50 EJBA O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc2ccccc2c1 619004 JLDCIUDARNVBLJ-UHFFFAOYSA-N 349.389 4.657 5 50 EJBA Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 439796 HRXQMJQSYKUKOT-ACCUITESSA-N 348.358 4.815 5 50 EJBA COc1ccc([N+](=O)[O-])cc1COc1ccc(-c2ccccc2)cc1 2166683 NXPJPRIPTFANJG-UHFFFAOYSA-N 335.359 4.849 5 50 EJBA O=C(Nc1cccc(Cl)c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 1071752 DVIJRXRHTKSZGQ-UHFFFAOYSA-N 344.798 4.699 5 50 EJBA COc1cc([N+](=O)[O-])ccc1NC(=O)Oc1cc(C)ccc1C(C)C 4797204 OQGIZFJROXYLPD-UHFFFAOYSA-N 344.367 4.646 5 50 EJBA Fc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1 558747 RJXQQMBCVNVOIP-UHFFFAOYSA-N 327.362 4.925 5 50 EJBA O=[N+]([O-])c1ccccc1NC(=S)Nc1cc(Cl)ccc1Cl 13790871 YOOJBOQARPMJGB-UHFFFAOYSA-N 342.207 4.711 5 50 EJBA Cc1c(Br)ccc(N2Cc3ccccc3[C@H]2C)c1[N+](=O)[O-] 2325826797 NANZCJLMFQDLAX-LLVKDONJSA-N 347.212 4.747 5 50 EJBA Cc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 439760 SEWRJIVSYZOMJP-ACCUITESSA-N 348.358 4.815 5 50 EJBA C[C@@H]1[C@H]2CCCN2CCN1Cc1c2ccccc2cc2ccccc12 23471818 TWQLIIWDBXNQRR-UZUQRXQVSA-N 330.475 4.662 5 50 EJBA Cc1nc2sc(-c3ccc([N+](=O)[O-])cc3)c(N)c2c(C)c1Cl 32749 OOHKKNNIGXEFLH-UHFFFAOYSA-N 333.800 4.724 5 50 EJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)C(c1ccccc1)c1ccccc1 295458 OOGFWLIZACYXJR-UHFFFAOYSA-N 346.386 4.674 5 50 EJBA Cc1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1C(C)C 436580 ZNSIOPQQUSBXLQ-UHFFFAOYSA-N 333.771 4.899 5 50 EJBA CCc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 535775 MIRYQSDWLDZEDL-UHFFFAOYSA-N 336.347 4.670 5 50 EJBA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Cl 259091 IPVGLBVBHFKFRP-UHFFFAOYSA-N 344.676 4.519 5 50 EJBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Nc2ccccc2)cc1 461075 JJYBEVZTYWOCFK-UHFFFAOYSA-N 347.374 4.520 5 50 EJBA COc1cc(/C=C\[N+](=O)[O-])ccc1OCc1cccc2ccccc12 139658846 HCLXGBLVWVFARU-QXMHVHEDSA-N 335.359 4.675 5 50 EJBA O=C1Nc2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3ccccc3)c21 28991 RYKLYFDPFWMNBA-UHFFFAOYSA-N 348.314 4.745 5 50 EJBA CC(C)OC(=O)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 316467 ISXDMUUUZGWUAC-UHFFFAOYSA-N 335.743 4.606 5 50 EJBA O=[N+]([O-])c1cccc(C2N(c3ccccc3)CCN2c2ccccc2)c1 88610 HIIHAYFNKUFGER-UHFFFAOYSA-N 345.402 4.620 5 50 EJBA Cc1cccc(C(C)C)c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 140360 KDLUAJQJUTULEO-UHFFFAOYSA-N 332.787 4.932 5 50 EJBA O=[N+]([O-])c1cc(CN2CC=C(c3ccc(F)cc3)CC2)ccc1Cl 4986844 UWCHZCQASKAIDB-UHFFFAOYSA-N 346.789 4.677 5 50 EJBA O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 2845473 ODPOEYNCYHEFTI-UHFFFAOYSA-N 342.207 4.711 5 50 EJBA COc1ccc(-c2csc(Nc3ccc([N+](=O)[O-])cc3C)n2)cc1 4049857 PUYHNGJJEWPKAK-UHFFFAOYSA-N 341.392 4.779 5 50 EJBA O=[N+]([O-])c1ccc(-c2nc(N3CCCCCC3)c3ccccc3n2)cc1 72033 HIUUTLFDXOJYHH-UHFFFAOYSA-N 348.406 4.585 5 50 EJBA CCCCNc1c2c(nc3ccc([N+](=O)[O-])cc13)CC(C)(C)CC2=O 22205415 IRDKHLMHKYOIKG-UHFFFAOYSA-N 341.411 4.510 5 50 EJBA O=[N+]([O-])c1ccc(O)cc1Oc1ccc(C(F)(F)F)cc1Cl 34929083 KBDFDHPBOBHNMN-UHFFFAOYSA-N 333.649 4.765 5 50 EJBA Cc1cc(SCc2ccc([N+](=O)[O-])c(F)c2)n(-c2ccccc2)n1 328589719 DKPJKJRLFZRQGJ-UHFFFAOYSA-N 343.383 4.520 5 50 EJBA CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 466858 KKQFMMOAQIBADH-UHFFFAOYSA-N 346.814 4.689 5 50 EJBA COc1ccccc1C(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 2902225 ZHSUITFENQYBPG-UHFFFAOYSA-N 348.358 4.523 5 50 EJBA COc1ccc(OCCCCCCOc2ccc([N+](=O)[O-])cc2)cc1 2906429 QXRVVPQKNCSGFF-UHFFFAOYSA-N 345.395 4.622 5 50 EJBA Cc1cccc(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 318748 YPRFCGAMUZKGSJ-UHFFFAOYSA-N 348.358 4.948 5 50 EJBA O=C(Nc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1Cl 102111 RMAVITUDHMSPKM-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA Cc1sc2nc(-c3ccc([N+](=O)[O-])cc3)cn2c1-c1ccccc1 2875787 URVNWNDGSVXKGB-UHFFFAOYSA-N 335.388 4.946 5 50 EJBA O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1[N+](=O)[O-] 2999754 IIRHDNJMTUCVQF-UHFFFAOYSA-N 344.676 4.519 5 50 EJBA C[C@H](CCc1ccccc1)Nc1cc(N2CCCC2)ccc1[N+](=O)[O-] 4543435 FFZOMMKSBOHSTC-MRXNPFEDSA-N 339.439 4.628 5 50 EJBA COCCc1cc(NCc2c3ccccc3cc3ccccc23)n(C)n1 136621097 XZEUNHXWSXYHQY-UHFFFAOYSA-N 345.446 4.528 5 50 EJBA O=[N+]([O-])c1ccc2c(c1)nc(-c1ccccc1)c1cc([N+](=O)[O-])ccc12 2545324 FCDIEAMONAJOJE-UHFFFAOYSA-N 345.314 4.871 5 50 EJBA in-vitro O=[N+]([O-])c1ccc(Nc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 4616266 VEXAPKARXOZMKV-UHFFFAOYSA-N 328.111 4.553 5 50 EJBA COc1ccc(NC(=S)Nc2ccc(C(C)C)cc2)c([N+](=O)[O-])c1 5041383 MCDMFGHEKSVZLM-UHFFFAOYSA-N 345.424 4.536 5 50 EJBA CCc1ccccc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 308319 TUYFJCBVAGOJHN-UHFFFAOYSA-N 336.347 4.670 5 50 EJBA Cc1cc(Cl)cc(C)c1OC(=O)Nc1ccc(F)cc1[N+](=O)[O-] 4795126 JVLNYCSRKOZBEY-UHFFFAOYSA-N 338.722 4.615 5 50 EJBA O=[N+]([O-])c1ccc(Oc2cccc(Br)c2)c(Cl)c1 610249 XFKFYVVEDZFGPV-UHFFFAOYSA-N 328.549 4.803 5 50 EJBA Cc1nc(C)c(-c2csc(Nc3ccc([N+](=O)[O-])cc3)n2)s1 4123318 HFFHWQYSNMAYJM-UHFFFAOYSA-N 332.410 4.535 5 50 EJBA O=C(Nc1ccc(Cl)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 102792 GDMZZEMLYSYLQW-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 3997703 QLKDNVPFIAIRSF-UHFFFAOYSA-N 346.386 4.674 5 50 EJBA O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccco3)C2)cc1 4265723 DCFSIJLWXJXSQC-GOSISDBHSA-N 333.347 4.544 5 50 EJBA C[C@H](Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc([N+](=O)[O-])c1 742140525 AWTVIVGLHXDZGT-ZDUSSCGKSA-N 340.379 4.809 5 50 EJBA Cc1ccc(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 859850 LLMDJGQLYRTMJD-UHFFFAOYSA-N 348.358 4.948 5 50 EJBA O=[N+]([O-])c1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1 88601 ADVRMZNPSFCWTI-UHFFFAOYSA-N 345.402 4.620 5 50 EJBA O=C(Oc1cccc([N+](=O)[O-])c1)N(c1ccccc1)c1ccccc1 464849 VCHDOTRSRDQOLY-UHFFFAOYSA-N 334.331 4.932 5 50 EJBA Cc1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)c([N+](=O)[O-])c1 13793012 HSQZECPYSHKCHT-UHFFFAOYSA-N 335.816 4.674 5 50 EJBA O=[N+]([O-])c1ccc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)nc1 90367483 GZONLGPIHCCJOI-GOSISDBHSA-N 348.358 4.848 5 50 EJBA in-vitro COc1ccc(-c2cc(C(=O)O)c3c(ccc4ccccc43)n2)c(F)c1 86373 WXCSPHXZUJQZIE-UHFFFAOYSA-N 347.345 4.901 5 50 EJBA O=[N+]([O-])c1ccccc1CN[C@@H](Cc1ccccc1)c1ccccc1 23634181 TXXPHWMGKXGHGL-FQEVSTJZSA-N 332.403 4.668 5 50 EJBA C[C@H]1[C@@H]2CCCN2CCN1Cc1c2ccccc2cc2ccccc12 23471816 TWQLIIWDBXNQRR-SBUREZEXSA-N 330.475 4.662 5 50 EJBA CCOc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 463961 PLVSEQLRCZTDMJ-UHFFFAOYSA-N 327.258 4.805 5 50 EJBA O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@@H]21 245238545 TVPSUVVLKOFAJS-PLCCKUGISA-N 340.423 4.862 5 50 EJBA O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)C=Cc1c(ccc3ccccc13)O2 2186328 XIHJOBWXVAGSCV-UHFFFAOYSA-N 334.287 4.932 5 50 EJBA biogenic O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1[C@H]2CC/C=C/CC/C=C\CC[C@H]21 245238542 TVPSUVVLKOFAJS-HIVMJAFUSA-N 340.423 4.862 5 50 EJBA O=[N+]([O-])c1ccc2c(c1)C=C1CCCC[C@@]1(NC1CCCCC1)O2 55443998 IDGGQSCDTZNZLD-LJQANCHMSA-N 328.412 4.563 5 50 EJBA CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nc(=S)c2c1CCCC2 202435 QFPSGUFHIGJBTJ-UHFFFAOYSA-N 343.452 4.723 5 50 EJBA O=[N+]([O-])c1ccc2nonc2c1Nc1ccc(Oc2ccccc2)cc1 3879189 VLISLEMRANMOSP-UHFFFAOYSA-N 348.318 4.667 5 50 EJBA Cc1ccc(NC(=O)c2c(C)c(C)c(C)c(C)c2C)c([N+](=O)[O-])c1 4996612 CHSQQBXJVQTFQT-UHFFFAOYSA-N 326.396 4.698 5 50 EJBA O=C(Nc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl 74891 VNASRRRSTNMWGR-UHFFFAOYSA-N 344.676 4.519 5 50 EJBA CCN(CC)c1ccc2cc3ccc(N)cc3[n+](-c3ccccc3)c2c1 16678677 DSSZQJOCFHMMHL-UHFFFAOYSA-O 342.466 4.698 5 50 EJBA Clc1cc2nc3sc4nc5ccccc5n4c3nc2cc1Cl 2882928 LIAIXVBOYLBAMO-UHFFFAOYSA-N 345.214 4.952 5 50 EJBA O=C(c1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 2989867 YKXYUXFCGFBVKX-UHFFFAOYSA-N 330.554 4.786 5 50 EJBA CC[C@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](C)c1ccccc1 3137114 LXSWIXTZZJRXIN-PXAZEXFGSA-N 342.351 4.516 5 50 EJBA COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 5041482 BUHMSXLGYYPCJH-UHFFFAOYSA-N 343.383 4.545 5 50 EJBA Cc1cc(C)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(Cl)c1 145274 NAIVELYYMSLVHG-VOTSOKGWSA-N 330.771 4.517 5 50 EJBA CC[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](CC)c1ccccc1 4795078 IJYZEAYSSXMGPU-MSOLQXFVSA-N 327.380 4.724 5 50 EJBA Cc1sc2ncnc(SCc3ccc([N+](=O)[O-])cc3)c2c1C 132254 PXINTLDFHXKBDE-UHFFFAOYSA-N 331.422 4.509 5 50 EJBA C[C@H]1[C@H]2CCCN2CCN1Cc1c2ccccc2cc2ccccc12 23471821 TWQLIIWDBXNQRR-GAJHUEQPSA-N 330.475 4.662 5 50 EJBA O=C(Oc1ccccc1[N+](=O)[O-])c1sc2ccccc2c1Cl 358728 AMBLGWWFNAMRQO-UHFFFAOYSA-N 333.752 4.682 5 50 EJBA O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl 102987 FRGRXFABEOMSAV-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA Cc1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)ccc1[N+](=O)[O-] 4758645 JDVIBASNOTYKSC-UHFFFAOYSA-N 347.374 4.899 5 50 EJBA O=C(/C=C/c1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 302656 YCJLARPPTSOLDA-FPYGCLRLSA-N 337.162 4.554 5 50 EJBA O=C(OC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 466907 CHMVNCZOEUNBIJ-UHFFFAOYSA-N 333.343 4.541 5 50 EJBA Cc1ccc(C(C)C)c(OC(=O)/C=C/c2ccc([N+](=O)[O-])s2)c1 448348 FWTGIWOEGXDDRA-RMKNXTFCSA-N 331.393 4.707 5 50 EJBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1Oc1ccccc1 4854519 WIMYEJCCJNQKIL-UHFFFAOYSA-N 348.358 4.568 5 50 EJBA O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc(Cl)cc3)no2)c1 316687 NJFKDVLDLZBTKJ-UHFFFAOYSA-N 336.134 4.619 5 50 EJBA Cc1cccc(NC(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 4542782 VEHXHXFLQIERPJ-PKNBQFBNSA-N 348.358 4.815 5 50 EJBA O=C(Nc1ccccc1C(F)(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 271572 NZIVOERCGNHADM-UHFFFAOYSA-N 344.676 4.519 5 50 EJBA CC(C)COc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 4819664 SITOKFPMMANICA-UHFFFAOYSA-N 348.786 4.535 5 50 EJBA CCOc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 4159341 KYXYMTHHKSJJSJ-UHFFFAOYSA-N 342.395 4.543 5 50 EJBA Cc1c(C(=O)Nc2ccc(Nc3ccccc3)cc2)cccc1[N+](=O)[O-] 5073285 LYRJNLJTSULQRX-UHFFFAOYSA-N 347.374 4.899 5 50 EJBA C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1csc(C2CC2)n1 170626283 YBKLORNQOBCDBG-JTQLQIEISA-N 340.408 4.650 5 50 EJBA C[C@H]1CC(C)(C)Nc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc21 316819 JMEBGWUQJNIWHG-LBPRGKRZSA-N 340.379 4.512 5 50 EJBA CCCc1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccn1 438623 FMDCVWQGLSXCRO-UHFFFAOYSA-N 325.393 4.733 5 50 EJBA CC(C)(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 462536 OCDBLPGQIIILJL-UHFFFAOYSA-N 332.787 4.798 5 50 EJBA O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12 245238544 TVPSUVVLKOFAJS-IMTPOMJSSA-N 340.423 4.862 5 50 EJBA O=C(Nc1csc([N+](=O)[O-])c1)Nc1c(Cl)cccc1Cl 4323515 AATXXTHMITUAOJ-UHFFFAOYSA-N 332.168 4.607 5 50 EJBA O=C(NC1CCCCC1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 4858528 VSUIAYSEUIWFOB-UHFFFAOYSA-N 348.786 4.571 5 50 EJBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ccccc2)cc1 66062 ZKBAFLGTSWOJCP-UHFFFAOYSA-N 348.358 4.523 5 50 EJBA CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 271907 YIIDQSLHQHNHIJ-UHFFFAOYSA-N 346.814 4.689 5 50 EJBA O=[N+]([O-])c1cccc(C(=C(Cl)Cl)c2cccc([N+](=O)[O-])c2)c1 3129713 OYPLHPPBPSFIMQ-UHFFFAOYSA-N 339.134 4.698 5 50 EJBA O=C(Nc1ccccc1Cl)c1cc2c(ccc3ccccc32)oc1=O 4810350 DCGZFIVTMSZBEU-UHFFFAOYSA-N 349.773 4.852 5 50 EJBA O=[N+]([O-])c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1 61515 KWZZPKWQBUBSBE-UHFFFAOYSA-N 327.343 4.872 5 50 EJBA CC[C@H](C)c1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 472030 SPSOOZFIKZUEGP-KBPBESRZSA-N 326.396 4.851 5 50 EJBA Cc1cc2oc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c(C)c2cc1C 617053 DHBRJNJUDNYDEV-UHFFFAOYSA-N 338.363 4.827 5 50 EJBA Cc1cccc(C)c1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 447573 GHRFRNFZRHROPT-UHFFFAOYSA-N 336.347 4.724 5 50 EJBA CC[N+]1(CCCCCC[N@+]2(CC)C[C@@H](C)[C@@H](C)C2)C[C@@H](C)[C@H](C)C1 1775973371 AAONOOFHVZOPJX-SWAMLEPWSA-N 338.624 4.792 5 50 EJBA Cc1cc(C(=O)OCc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] 466915 RUSHERKCPPYBJL-UHFFFAOYSA-N 340.162 4.567 5 50 EJBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1CCc1ccccc1 129757 FFNFLOSMHCFXME-UHFFFAOYSA-N 346.386 4.632 5 50 EJBA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 1959599 MRVPNQKJORSKBA-FPYGCLRLSA-N 337.162 4.554 5 50 EJBA O=C(Oc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1Cl 268118 DWGGFIXIPXJJIW-UHFFFAOYSA-N 327.723 4.621 5 50 EJBA O=[N+]([O-])c1cc(/C=C/c2ccc3cccc(O)c3n2)ccc1Cl 4755380 LBARMIVCAAWUMK-QPJJXVBHSA-N 326.739 4.672 5 50 EJBA Clc1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 6392689 VWQCKBPJSRTLEJ-UHFFFAOYSA-N 330.778 4.980 5 50 EJBA O=[N+]([O-])c1ccc(-c2nc(Nc3ccccc3)c3ccccc3n2)cc1 16956751 ZQABADCRERUSFM-UHFFFAOYSA-N 342.358 4.949 5 50 EJBA CC1=CC[C@H]2CO[C@H](C[N+]3(Cc4ccccc4)CCCCC3)[C@H]1C2 139322178 ULQYYPQXTLRTOA-BHIFYINESA-N 326.504 4.559 5 50 EJBA O=C(Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl 103063 GYIYHNSMEARCOA-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA O=[N+]([O-])c1ccc(/C=C/c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 2170565 LGFFIISIZVCKKN-OWOJBTEDSA-N 339.134 4.980 5 50 EJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cccc(C(F)(F)F)c1 5041503 BCFWVVQJGZKVRH-UHFFFAOYSA-N 339.273 4.566 5 50 EJBA Cc1cc(C(c2ccc(C)o2)c2ccc(C)o2)c(O)c([N+](=O)[O-])c1 19733258 GMEXVTITDABLEK-UHFFFAOYSA-N 327.336 4.592 5 50 EJBA aggregator,biogenic CC(C)c1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 318158 HNWCMVIYDHNVBO-BJMVGYQFSA-N 328.343 4.509 5 50 EJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cccc2ccccc12 453490 QAPQSCRANLOIQN-ZRDIBKRKSA-N 332.359 4.708 5 50 EJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)C(c1ccccc1)c1ccccc1 4020384 QZGDKFQMFMANKP-UHFFFAOYSA-N 346.386 4.674 5 50 EJBA CC[C@@H](C)c1ccc(NC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 25559952 IVFBLAKCJWAHLB-CYBMUJFWSA-N 328.368 4.857 5 50 EJBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2ccccc12 450707 CHLYBDULJRKMDX-UHFFFAOYSA-N 326.739 4.654 5 50 EJBA CCOc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Br 82046487 IOPHYMPBKOVGFY-UHFFFAOYSA-N 343.221 4.501 5 50 EJBA in-vitro C[C@@H]1CCC[C@@H](N[C@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)C1 248079639 CMNZFXFFEKYCDQ-VFVRVIDISA-N 327.428 4.622 5 50 EJBA O=C(Nc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 103074 RANFEBZTFZJQMH-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA O=C(Nc1ccc(F)cc1[N+](=O)[O-])Oc1cc(Cl)ccc1Cl 4759374 LKGGWLJVPACPDO-UHFFFAOYSA-N 345.113 4.652 5 50 EJBA CCOc1ccc(C(=O)Nc2ccccc2[C@@H](C)CC)cc1[N+](=O)[O-] 463737 ZBIDJBQUDBCCTQ-ZDUSSCGKSA-N 342.395 4.759 5 50 EJBA CC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 2380795 VBLACFVBSWNRSL-UHFFFAOYSA-N 325.242 4.609 5 50 EJBA O=C1c2ccc([N+](=O)[O-])cc2Oc2ccccc2N1Cc1ccccc1 1430631 VIBSVYSMVOGKPZ-UHFFFAOYSA-N 346.342 4.548 5 50 EJBA O=C(Nc1cccc2[nH]cnc12)c1cc2ccccc2c2cccnc12 225402394 PYCJCGRDAKOGAW-UHFFFAOYSA-N 338.370 4.517 5 50 EJBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nc2ccccc2[nH]1 344695 DJUBQPHESZKDIY-UHFFFAOYSA-N 339.298 4.641 5 50 EJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1c(C)c(C)c(C)c(C)c1C 4996855 XLKMWSZHXRUERP-UHFFFAOYSA-N 326.396 4.698 5 50 EJBA CC[C@H](Nc1nc(C(F)(F)F)cs1)c1cccc([N+](=O)[O-])c1 301754600 JZEBRFWNOIAPAN-JTQLQIEISA-N 331.319 4.633 5 50 EJBA COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1 349096 XNKYREUUHSLSBW-UHFFFAOYSA-N 339.398 4.795 5 50 EJBA O=C(Nc1ccccc1)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 4983208 PHWJZSVQRCSSEB-UHFFFAOYSA-N 339.395 4.592 5 50 EJBA Cc1cc(C)cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 1060172 GXUAYMMBULCNLC-UHFFFAOYSA-N 336.347 4.724 5 50 EJBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2Cl)o1 4542682 PHHMKDBHHLJULZ-UHFFFAOYSA-N 342.738 4.761 5 50 EJBA Cc1ccc(C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cc1 315099 XPPKYEZYZOCEKI-UHFFFAOYSA-N 332.359 4.823 5 50 EJBA CCCCn1c2ccccc2n2cc(-c3ccc([N+](=O)[O-])cc3)nc12 1813655 GIPUVDVXENRQAP-UHFFFAOYSA-N 334.379 4.664 5 50 EJBA CCOc1ccc(OCCCCOc2ccc(C)cc2[N+](=O)[O-])cc1 2983878 LCOBUNDASSLUDZ-UHFFFAOYSA-N 345.395 4.540 5 50 EJBA CC[C@@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](C)c1ccccc1 3137115 LXSWIXTZZJRXIN-SJKOYZFVSA-N 342.351 4.516 5 50 EJBA O=[N+]([O-])c1ccc(-c2cn3c(n2)sc2cc(Cl)ccc23)cc1 3877639 RRQXOWMCHFIRHV-UHFFFAOYSA-N 329.768 4.778 5 50 EJBA O=[N+]([O-])c1cc(OCc2ccccc2)ccc1OCc1ccccc1 1603315 QDZFMSSFDIBXED-UHFFFAOYSA-N 335.359 4.753 5 50 EJBA in-vitro Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 149954 KJQYZRJYXCPAPJ-UHFFFAOYSA-N 340.166 4.854 5 50 EJBA O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1 60033 NWHDXRGJIYUWFL-UHFFFAOYSA-N 336.322 4.653 5 50 EJBA O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1F)N2 239386709 QBSIEWSEDMESAI-ROILNYFKSA-N 338.382 5.030 5 50 EJBA Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)ccc1[N+](=O)[O-] 436589 NVOQVYBGHRIXEB-UHFFFAOYSA-N 332.359 4.823 5 50 EJBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(Oc2ccccc2)c1 3898676 NZSNNAVBTXFTIR-UHFFFAOYSA-N 334.331 4.639 5 50 EJBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl 303465 ZVGVNVDBIMOHRG-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA O=[N+]([O-])c1cc(CN2CCCC2)ccc1Sc1ccc(Cl)cc1 1406212 RTVDPQBHFPOHDW-UHFFFAOYSA-N 348.855 4.995 5 50 EJBA O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])cc1 3661686 VLGQQTAYXYQRGV-UHFFFAOYSA-N 332.315 4.747 5 50 EJBA O=[N+]([O-])c1cc2c3c(c[nH]c3c1)Cc1cc(Br)ccc1O2 1428672 NFNPUXIWAPSOCZ-UHFFFAOYSA-N 345.152 4.535 5 50 EJBA CCc1c(-c2nnc(-c3cc([N+](=O)[O-])ccc3Cl)o2)csc1C 17072637 HLBUJGICHFSJIH-UHFFFAOYSA-N 349.799 4.898 5 50 EJBA O=[N+]([O-])c1ccc(-c2csc(Nc3ccc(F)cc3)n2)c(F)c1 2325824021 MKXCJNABOMQVLV-UHFFFAOYSA-N 333.319 4.740 5 50 EJBA Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1[N+](=O)[O-] 859321 OYKULQVSGLDBIM-UHFFFAOYSA-N 348.358 4.948 5 50 EJBA O=C(Oc1ccc2ccccc2c1Cl)c1ccccc1[N+](=O)[O-] 620861 JQZSFIIKUOXHGC-UHFFFAOYSA-N 327.723 4.621 5 50 EJBA O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 112738 GDWKBKTVROCPNZ-UHFFFAOYSA-N 334.331 4.639 5 50 EJBA in-vitro CCCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 1808588 FHPYNHDCFVCASB-UHFFFAOYSA-N 348.786 4.679 5 50 EJBA O=C(Oc1ccc(C2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 3123142 QJQNXBOJROZTJG-UHFFFAOYSA-N 325.364 4.862 5 50 EJBA C[C@@H](NC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)C(C)(C)C 1056528 JWUACHIPJWCTHH-MRVPVSSYSA-N 340.832 4.627 5 50 EJBA O=Cc1cc2c(s1)c1cc(C=O)sc1c1cc(C=O)sc21 1848350160 VANOLPNZHSSDOC-UHFFFAOYSA-N 330.411 4.768 5 50 EJBA COc1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl 5661780 KHKJUBTYSRLSOK-UHFFFAOYSA-N 327.167 4.522 5 50 EJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1c(Cl)cccc1Cl 4794788 VAKAABNKPKIHOS-UHFFFAOYSA-N 340.166 4.854 5 50 EJBA O=[N+]([O-])c1ccc2sc(-c3nnc(-c4cccs4)o3)cc2c1 1392869 YMWUDZIGXXUDBL-UHFFFAOYSA-N 329.362 4.588 5 50 EJBA Clc1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 5519661 KVABYTVEDZGDHC-UHFFFAOYSA-N 330.778 4.980 5 50 EJBA Cc1c(NC(=O)C(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 38834 ZTWOUZCJELLHDT-UHFFFAOYSA-N 346.386 4.674 5 50 EJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cc(Cl)ccc1Cl 2156343 HQEYHEZWULPSTO-UHFFFAOYSA-N 340.166 4.854 5 50 EJBA Cc1cc(C)c2nc(SCc3ccc([N+](=O)[O-])cc3)nc(C)c2c1 476964 AEMGPSGMTWMFSS-UHFFFAOYSA-N 339.420 4.756 5 50 EJBA O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 4010714 ZGDYTSLOYSXIER-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA CC[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](CC)c1ccccc1 4795075 IJYZEAYSSXMGPU-ROUUACIJSA-N 327.380 4.724 5 50 EJBA CCCC[N+](C)(CCCC)C[C@H](O)COc1ccc2ccccc2c1 2665519 QEDZLEPMSZWYJM-NRFANRHFSA-N 344.519 4.626 5 50 EJBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1csc2ccccc12 1000031 FDLWYBHFSPCWGO-UHFFFAOYSA-N 332.768 4.715 5 50 EJBA C[C@H](Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12)c1ccccc1 3878824 RFANQQXGARXPKX-LBPRGKRZSA-N 337.335 4.829 5 50 EJBA O=C(Nc1ccccc1)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 4840160 RJZWWUGCRNJRDM-UHFFFAOYSA-N 342.738 4.761 5 50 EJBA CC(C)(C)c1ccc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)c2)cc1 17355388 OONQICAXMKRCAH-UHFFFAOYSA-N 335.407 4.804 5 50 EJBA O=Cc1ccc(Sc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 166396 ZLWIWPAQMKICRR-UHFFFAOYSA-N 327.283 4.577 5 50 EJBA O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])cc1 4841098 IHUYWFJSPZDYAW-UHFFFAOYSA-N 344.676 4.519 5 50 EJBA Cc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 466877 BKCQTWUXGNHYKE-UHFFFAOYSA-N 340.162 4.567 5 50 EJBA CCc1cccc(CC)c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 449717 BYPVBBFTYVDZGV-UHFFFAOYSA-N 332.787 4.625 5 50 EJBA COc1ccc(-c2cc(C(=O)O)c3ccc4ccccc4c3n2)cc1 71770445 SQBDBDSRDICIFB-UHFFFAOYSA-N 329.355 4.762 5 50 EJBA O=C(Oc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl 299475 MYZNBZWQEAREQC-UHFFFAOYSA-N 346.553 4.774 5 50 EJBA Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1NSc1ccc([N+](=O)[O-])cc1 4566413 QTGDKCJUNVZPGG-UHFFFAOYSA-N 347.396 4.856 5 50 EJBA CC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 8146722 JAGHOGINQNAZKU-UHFFFAOYSA-N 326.135 4.897 5 50 EJBA CCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 4819617 PSMWQERLSORHAA-UHFFFAOYSA-N 348.786 4.679 5 50 EJBA O=[N+]([O-])c1ccccc1/C=C/CN1CC=C(c2ccc(F)cc2)CC1 4985430 DBLYOLDMIPAFHM-HWKANZROSA-N 338.382 4.536 5 50 EJBA O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 38839 SIZATGSLEPGRJF-UHFFFAOYSA-N 334.331 4.639 5 50 EJBA O=[N+]([O-])c1ccc(-c2ncc(-c3ccc(Br)cc3)o2)cc1 1588812 HQFYSZAPVRHQNX-UHFFFAOYSA-N 345.152 4.679 5 50 EJBA O=[N+]([O-])c1ccc(Sc2ccc(F)cc2)c(Br)c1 1383648 IQCSKYWDNDPSGN-UHFFFAOYSA-N 328.162 4.648 5 50 EJBA O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccccc1Cc1ccccc1 17072245 JZRPEUIPMOMLNQ-UHFFFAOYSA-N 347.374 4.830 5 50 EJBA CC(/C=C/C=C(\C)C(=O)O)=C\C=C/C=C(C)/C=C/C=C(\C)C(=O)O 169321098 PANKHBYNKQNAHN-LOZDXUEGSA-N 328.408 4.609 5 50 EJBA biogenic,investigational O=C(Nc1ccccc1Oc1ccccc1)c1ccccc1[N+](=O)[O-] 859330 WPJNXGUHMJIVJG-UHFFFAOYSA-N 334.331 4.639 5 50 EJBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccccc2)cc1 168494 FJKAFKAPAIPSIM-UHFFFAOYSA-N 348.358 4.568 5 50 EJBA CC/N=c1\cc2oc3cc(NCC)c(C)cc3nc-2c2ccccc12 4272043 UIFOTNODQJSLTF-HAVVHWLPSA-N 331.419 4.747 5 50 EJBA O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 3898824 UJRZNOKABKPMIK-NRFANRHFSA-N 343.386 4.951 5 50 EJBA CCCCSc1cc2c(c([N+](=O)[O-])c1)C(=O)Nc1ccccc1O2 4722428 YUNYSIVHRIYKEC-UHFFFAOYSA-N 344.392 4.845 5 50 EJBA Cc1ccc(C(c2ccc(C)o2)c2cc([N+](=O)[O-])cc(C)c2O)o1 19733030 JIDFKSDQIXMXLT-UHFFFAOYSA-N 327.336 4.592 5 50 EJBA biogenic Cc1cc(OC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc(C)c1Cl 1738282 JDEWBYISVULIJH-UHFFFAOYSA-N 338.722 4.615 5 50 EJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 4367526 GPNDHDDOTKYMKR-UHFFFAOYSA-N 340.166 4.854 5 50 EJBA O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1[N+](=O)[O-] 103157 IWLWJYOQIYGDKH-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA in-vivo O=C(Oc1ccccc1[N+](=O)[O-])N(c1ccccc1)c1ccccc1 377015 CBVUENBOEYPLTN-UHFFFAOYSA-N 334.331 4.932 5 50 EJBA COc1ccccc1COc1ccc2c(oc(=O)c3ccccc32)c1C 307682 OWKLSGIEGOCTAG-UHFFFAOYSA-N 346.382 4.842 5 50 EJBA biogenic CCOC(=O)c1ccc(N=c2c3ccccc3[nH]c3ccccc23)cc1 4015364 AZGLTYFDKZEJGU-UHFFFAOYSA-N 342.398 4.730 5 50 EJBA Cc1ccc(NC(=S)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 98178025 VYPJSSWQUSLNKG-UHFFFAOYSA-N 340.326 4.710 5 50 EJBA O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(Cc2ccccc2)CC1 207022 SYPOYABLPUZIHW-UHFFFAOYSA-N 344.842 4.703 5 50 EJBA Cn1c(CN2CCCCC2)c(-c2ccccc2)c2cc([N+](=O)[O-])ccc21 4123274 NLCRJYLQKFVYDY-UHFFFAOYSA-N 349.434 4.739 5 50 EJBA Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-] 272872 MWQRMSVWLOPBAD-UHFFFAOYSA-N 332.359 4.823 5 50 EJBA O=C(Cc1cc2c(ccc3ccccc32)oc1=O)c1ccc(F)cc1 1051396 UXDKIJFIGDZKIL-UHFFFAOYSA-N 332.330 4.511 5 50 EJBA Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 170634630 RCHMLXWYGONATF-INIZCTEOSA-N 343.383 4.645 5 50 EJBA O=[N+]([O-])c1ccc(Cl)nc1NCCc1c(Cl)cccc1Cl 670429345 GNRYAVPSCMVTPP-UHFFFAOYSA-N 346.601 4.605 5 50 EJBA O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3Cl)o2)cc1 261736 XSSRXWYJDQTDJR-UHFFFAOYSA-N 347.783 4.591 5 50 EJBA CCCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 4583109 CCYLVNIKZLHEFO-UHFFFAOYSA-N 327.384 4.742 5 50 EJBA O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)oc(=O)c1ccccc12 146173 MROUDHWHVMXJSI-JLHYYAGUSA-N 342.350 4.565 5 50 EJBA Cc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1 239339257 LXGRJWOLAZPOJC-IFCUIPEHSA-N 334.419 5.200 5 50 EJBA c1ccc2[nH]c(-n3c4nc5ccccc5c-4nc4ccccc43)nc2c1 409418106 SWVLSSFNEWRLQR-UHFFFAOYSA-N 335.370 4.555 5 50 EJBA CC(C)n1c(-c2ccc([N+](=O)[O-])cc2)nc(=S)c2c1CCCC2 202439 LCTHINNEZZLRFE-UHFFFAOYSA-N 329.425 4.647 5 50 EJBA Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 60402 SPUKUBVAMONLTA-UHFFFAOYSA-N 331.784 4.621 5 50 EJBA CN1CCCN(Cc2ccc3ccc4cccc5ccc2c3c45)CC1 19634085 BOVTVVASZNPZCF-UHFFFAOYSA-N 328.459 4.722 5 50 EJBA O=[N+]([O-])c1ccc(Cl)c(CN2CC=C(c3ccc(F)cc3)CC2)c1 55291839 HKFOLZLDFMJZMK-UHFFFAOYSA-N 346.789 4.677 5 50 EJBA COc1ccccc1Nc1cc(C)nc2c(C)cc(C)c([N+](=O)[O-])c12 183390 USIJSJBRGYSPFO-UHFFFAOYSA-N 337.379 4.820 5 50 EJBA O=C(c1ccccc1)c1ccc(/C=C/c2cc([N+](=O)[O-])ccc2O)cc1 19883893 ZFUSGRWHEKOHDG-DHZHZOJOSA-N 345.354 4.702 5 50 EJBA Cc1cccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 859965 CMGMJXDWEYDRDA-UHFFFAOYSA-N 348.358 4.948 5 50 EJBA O=[N+]([O-])c1ccc(Nc2ccc(Oc3ccccc3)cc2)c2nonc12 3879187 GPEFCJMKKRHHOG-UHFFFAOYSA-N 348.318 4.667 5 50 EJBA Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)csc1-c1ccccc1 4844616 JOYABWHAFKTPML-UHFFFAOYSA-N 338.388 4.884 5 50 EJBA CC[C@@H](C)c1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 472031 SPSOOZFIKZUEGP-ZIAGYGMSSA-N 326.396 4.851 5 50 EJBA O=[N+]([O-])c1cccc(-c2noc(-c3ccc(Cl)c(Cl)c3)n2)c1 548945 PKROBRPKPYNQHD-UHFFFAOYSA-N 336.134 4.619 5 50 EJBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1c[nH]c2ccccc12 4167851 OLVOOKVBWQEOMH-UHFFFAOYSA-N 349.312 4.750 5 50 EJBA O=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 435953 BLGFQDCWXBYLKS-UHFFFAOYSA-N 333.347 4.591 5 50 EJBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1Cl 5102764 IZNULWQIHMACNK-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA O=[N+]([O-])c1ccc(/C=C/c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 2170521 FTESRNYERDDTDU-FNORWQNLSA-N 339.134 4.980 5 50 EJBA Cc1cc(Cl)ccc1OC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4800797 UHAKVSIHABPZDE-UHFFFAOYSA-N 341.150 4.821 5 50 EJBA CCCCC1CCC(C(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])CC1 5028188 IVAPAHBGXDSGQD-UHFFFAOYSA-N 348.443 4.929 5 50 EJBA Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)oc2ccc(F)cc12 5028180 FQGRDMFZWWXJHV-UHFFFAOYSA-N 348.717 4.694 5 50 EJBA CC(C)COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 5073132 XIRWJHZTNDFXJH-UHFFFAOYSA-N 348.786 4.535 5 50 EJBA O=[N+]([O-])c1ccc(Sc2nc3ccccc3s2)c2ncccc12 6584380 HXGIBLMSVYCAOT-UHFFFAOYSA-N 339.401 4.904 5 50 EJBA O=[N+]([O-])c1cccc(-c2noc(-c3ccc(-c4ccccc4)cc3)n2)c1 550225 JGDIDZXIBTYACS-UHFFFAOYSA-N 343.342 4.979 5 50 EJBA O=[N+]([O-])c1ccccc1CN[C@H](Cc1ccccc1)c1ccccc1 23634182 TXXPHWMGKXGHGL-HXUWFJFHSA-N 332.403 4.668 5 50 EJBA CC(C)=CCc1cc2c(cc1O)oc(=O)c1c3ccc(O)cc3oc21 899902 YABIJLLNNFURIJ-UHFFFAOYSA-N 336.343 4.612 5 50 EJBA endogenous,in-man O=[N+]([O-])C[C@H]1c2ccccc2C=CN1Cc1c(Cl)cccc1Cl 20506637 RXWVHONZSNOENW-KRWDZBQOSA-N 349.217 4.798 5 50 EJBA CCOc1cc(/C=C\[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 139173469 OPPUZFADVMQZQS-KTKRTIGZSA-N 333.771 4.565 5 50 EJBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 6863333 NDMZPBIWTNKUSW-UHFFFAOYSA-N 326.139 4.546 5 50 EJBA O=[N+]([O-])c1ccc(Cc2nc3ccccc3nc2-c2ccccc2)cc1 324931 DESAQHCFQVNQIE-UHFFFAOYSA-N 341.370 4.796 5 50 EJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)Oc1ccc(Cl)cc1Cl 4795406 HCWHKMOTOSWECP-UHFFFAOYSA-N 341.150 4.821 5 50 EJBA Cc1ccc(NC(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 439722 NXTUGIJDHKDTRZ-ZRDIBKRKSA-N 348.358 4.815 5 50 EJBA Cc1c(NC(=O)Nc2cccc(Cl)c2Cl)cccc1[N+](=O)[O-] 610368 GTRSAYRLXXXHCB-UHFFFAOYSA-N 340.166 4.854 5 50 EJBA O=C1c2ccccc2C(=Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 2162201 BPZYCLNHYSVYML-UHFFFAOYSA-N 327.339 4.728 5 50 EJBA O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cccc([N+](=O)[O-])c1 2167927 TYWWSKCZFTYMKX-UHFFFAOYSA-N 326.139 4.546 5 50 EJBA Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 4367525 ZBHYTQJHUZIRHB-UHFFFAOYSA-N 340.166 4.854 5 50 EJBA C[C@H](OSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)c1ccccc1 2166275 WVQFLVUVBIPBSO-RYUDHWBXSA-N 348.380 4.719 5 50 EJBA O=[N+]([O-])c1ccc(Oc2ccc(Br)c3cccnc23)cc1 444363 KFZTUZKLWSIIPW-UHFFFAOYSA-N 345.152 4.698 5 50 EJBA CC[C@@H](Nc1nc(C(F)(F)F)cs1)c1cccc([N+](=O)[O-])c1 301754601 JZEBRFWNOIAPAN-SNVBAGLBSA-N 331.319 4.633 5 50 EJBA O=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1Cl 59903 QTYBCXVLXNGYMN-UHFFFAOYSA-N 326.739 4.654 5 50 EJBA Cc1cc(OC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc(C)c1Cl 4794275 WYWKITFWKOBMQK-UHFFFAOYSA-N 338.722 4.615 5 50 EJBA Cc1noc(/C=C/c2ccc(-c3cccc(Cl)c3)o2)c1[N+](=O)[O-] 3125448 OGXVUGWYTQYERN-SOFGYWHQSA-N 330.727 4.975 5 50 EJBA C[C@@H]1CCC[C@H](N[C@@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)C1 5032081 CMNZFXFFEKYCDQ-FHSNZYRGSA-N 327.428 4.622 5 50 EJBA O=[N+]([O-])c1ccc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)nc1 90367482 GZONLGPIHCCJOI-SFHVURJKSA-N 348.358 4.848 5 50 EJBA in-vitro Cc1cccc(C)c1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 309679 QSOUVDSNHIZOST-VQHVLOKHSA-N 330.771 4.517 5 50 EJBA Cc1c(C(=O)Nc2ccccc2[N+](=O)[O-])csc1-c1ccccc1 4844585 QAGBAWCZEZFFDW-UHFFFAOYSA-N 338.388 4.884 5 50 EJBA CCCCOc1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1777436 IPJYSWLITTYHCB-UHFFFAOYSA-N 348.786 4.679 5 50 EJBA C[C@@H]1CCC[C@@H](N[C@@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)C1 5032086 CMNZFXFFEKYCDQ-SNUQEOBHSA-N 327.428 4.622 5 50 EJBA Cc1c(OC(=O)C2CCCCC2)ccc2c1oc(=O)c1ccccc12 457659 OIVMYGYADRGDOM-UHFFFAOYSA-N 336.387 4.740 5 50 EJBA CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 5008241 QFINIEYYVWVAPR-UHFFFAOYSA-N 332.787 4.798 5 50 EJBA Cc1ccccc1-c1c2cc(F)c(=O)cc-2oc2cc(O)c(F)cc12 196264848 OLGHTNOAGHLUQB-UHFFFAOYSA-N 338.309 4.857 5 50 EJBA in-vitro O=[N+]([O-])C[C@@H]1c2ccccc2C=CN1Cc1c(Cl)cccc1Cl 20506639 RXWVHONZSNOENW-QGZVFWFLSA-N 349.217 4.798 5 50 EJBA O=[N+]([O-])c1ccccc1OCCn1c2ccccc2c2ccccc21 2989258 ZPQUSIHCFXFEOL-UHFFFAOYSA-N 332.359 4.782 5 50 EJBA CC(C)(C)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1Cl 4014283 ILLWCRRSZOZUFP-UHFFFAOYSA-N 347.802 4.711 5 50 EJBA O=C(Nc1cccc2ccsc12)c1c(Cl)cccc1[N+](=O)[O-] 408513632 YABVTSJVMXQTPD-UHFFFAOYSA-N 332.768 4.715 5 50 EJBA O=[N+]([O-])c1ccccc1SN(Cc1ccccc1)c1ccccn1 307450 NMXBZXWCFUWXIY-UHFFFAOYSA-N 337.404 4.704 5 50 EJBA Cc1ccc(-c2nnc(-c3cc4cc([N+](=O)[O-])ccc4s3)o2)cc1 4050376 COBNYAYCQGBDOI-UHFFFAOYSA-N 337.360 4.835 5 50 EJBA O=[N+]([O-])c1ccc(Cl)c(CN2CCC(Cc3ccccc3)CC2)c1 4978625 DBYDATAHAAXDFS-UHFFFAOYSA-N 344.842 4.703 5 50 EJBA Cc1ccccc1NC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 307400 APOPOFGEIAOQJO-ACCUITESSA-N 348.358 4.815 5 50 EJBA C[C@H]1CCCCN1c1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12 2813637 BSVBOTMYVUJNBM-AWEZNQCLSA-N 348.406 4.584 5 50 EJBA O=[N+]([O-])c1cccc(-c2ccc(-c3cccc([N+](=O)[O-])c3)s2)c1 3107516 ILPOWKIXWYYJGV-UHFFFAOYSA-N 326.333 4.899 5 50 EJBA Cc1cccc(C(C)C)c1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 370128 ZKIYUUSARBWFMR-UHFFFAOYSA-N 332.787 4.932 5 50 EJBA CCN1CCN(Cc2ccc3ccc4cccc5ccc2c3c45)CC1 19634505 MZYWKOAWFPYMTA-UHFFFAOYSA-N 328.459 4.722 5 50 EJBA O=[N+]([O-])c1ccccc1-c1nnc(SCc2ccccc2Cl)o1 616904 PGYSPDAYZDXVNB-UHFFFAOYSA-N 347.783 4.591 5 50 EJBA Cc1c(OCc2cccc(F)c2)ccc2c1oc(=O)c1ccccc12 317841 DOIBOCIZPSTDOA-UHFFFAOYSA-N 334.346 4.973 5 50 EJBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1Cl 258855 XZVQSJGMIIOMCU-QPJJXVBHSA-N 337.162 4.554 5 50 EJBA O=c1c2cccc3cccc(c32)c2nc3ccc4c5c(ccc(c35)n12)CC4 321940 SQAXDHUDIKRHGH-UHFFFAOYSA-N 346.389 4.844 5 50 EJBA O=[N+]([O-])c1cccc(-c2noc(-c3cc(Cl)ccc3Cl)n2)c1 471794 DQFZVNIFIBPNRP-UHFFFAOYSA-N 336.134 4.619 5 50 EJBA Cc1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1C(C)C 436579 ZKIKJGODBRIDOD-UHFFFAOYSA-N 333.771 4.899 5 50 EJBA O=C(Nc1ccccc1)c1sc2cc([N+](=O)[O-])ccc2c1Cl 2763993 WNBWWPFUNFAJHF-UHFFFAOYSA-N 332.768 4.715 5 50 EJBA CCCCCN(CCCCC)C(=S)Nc1cccc([N+](=O)[O-])c1 2857845 IPTZDPPRFSYHEF-UHFFFAOYSA-N 337.489 4.974 5 50 EJBA C[C@@H](Nc1cc(N2CCCCC2)ccc1[N+](=O)[O-])c1ccccc1 4187864 RKNWSDFREPEKGV-OAHLLOKOSA-N 325.412 4.758 5 50 EJBA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc([N+](=O)[O-])cc1Cl 5063348 LDYLGOQVXKIJHK-UHFFFAOYSA-N 348.830 4.793 5 50 EJBA O=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 467580 WMKCVFHUUMTQQO-UHFFFAOYSA-N 345.660 4.872 5 50 EJBA Cc1ccc(C(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)cc1 407233 SUVHEVLHHOJSMM-UHFFFAOYSA-N 344.366 4.516 5 50 EJBA Cc1nn(-c2ccccc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 83004 HDOYEIKRJRBQRD-UHFFFAOYSA-N 325.393 4.549 5 50 EJBA Nc1cc(Oc2cccc(Cl)c2Cl)c(Cl)cc1[N+](=O)[O-] 34277348 WZFITXMPNXRORE-UHFFFAOYSA-N 333.558 4.930 5 50 EJBA in-vitro O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1ccccc1 473515 GRBYSKQBDGKZMA-UHFFFAOYSA-N 348.358 4.568 5 50 EJBA Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 140359 ZHKTYZBAVOLZLF-UHFFFAOYSA-N 332.787 4.932 5 50 EJBA Cc1ccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 119919 PEDWNTZURKITSB-UHFFFAOYSA-N 333.343 4.789 5 50 EJBA CC(=O)c1ccc(-c2ccc(/C=C\c3onc(C)c3[N+](=O)[O-])o2)cc1 16249581 XQPDPRKCUMHSEL-NTMALXAHSA-N 338.319 4.524 5 50 EJBA CC[N@+]1(CCCCCC[N@+]2(CC)C[C@@H](C)[C@@H](C)C2)C[C@@H](C)[C@@H](C)C1 1775973369 AAONOOFHVZOPJX-SSIAJPCRSA-N 338.624 4.792 5 50 EJBA COc1ccc(/C=C/C(=O)NO)c(-c2ccc(-c3ccccc3)cc2)c1 205643356 ASHPRZYGCOMVHO-WYMLVPIESA-N 345.398 4.548 5 50 EJBA in-vitro Cc1ccc(NC(=O)Oc2cc(C)c(Cl)cc2C)c([N+](=O)[O-])c1 4799751 TUUAAIZEVXUXLE-UHFFFAOYSA-N 334.759 4.784 5 50 EJBA O=C(Nc1cccc2ccccc12)c1ccc(Cl)cc1[N+](=O)[O-] 310429 HHIJFKWTUNKUKP-UHFFFAOYSA-N 326.739 4.654 5 50 EJBA Cc1ccc(Sc2ccc(COC(=O)C3CC3)cc2[N+](=O)[O-])cc1 1405586 DSZCNKXPIZXZCI-UHFFFAOYSA-N 343.404 4.508 5 50 EJBA O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cccc([N+](=O)[O-])c1 4842389 VVNQKAPOOYFKFH-UHFFFAOYSA-N 344.676 4.519 5 50 EJBA CC1CC(N[C@H](C)c2cccc([N+](=O)[O-])c2)(c2ccccc2F)C1 2325829569 MYHUFTJTYXFNOH-SHYRYGCCSA-N 328.387 4.710 5 50 EJBA Cc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1CCCCC1 5050793 BULHXDAQKZBCHX-UHFFFAOYSA-N 344.462 4.532 5 50 EJBA C[C@@]12CC3CC(C(=O)Nc4ccc([N+](=O)[O-])cc4)(C1)C[C@](C)(C3)C2 15746424 RBXSMVLMZRTZCW-DFDFAMMDSA-N 328.412 4.530 5 50 EJBA O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Cl 260856 SFJFXIOPXAMPRV-UHFFFAOYSA-N 344.676 4.519 5 50 EJBA Cc1ccc(C)c(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c1 2867428 CYHSAURUZOAFSF-UHFFFAOYSA-N 343.382 4.815 5 50 EJBA CC(C)n1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1ccccc1 16711428 CTEXDFLYGPGAGR-HNENSFHCSA-N 339.420 4.938 5 50 EJBA O=[N+]([O-])c1ccc2c(c1)C=C1CCCC[C@]1(NC1CCCCC1)O2 55443997 IDGGQSCDTZNZLD-IBGZPJMESA-N 328.412 4.563 5 50 EJBA Cc1ccc(NC(=O)Nc2ccc(O)c(C(C)(C)C)c2)cc1[N+](=O)[O-] 1875361163 SMBKQBCXWZBUOM-UHFFFAOYSA-N 343.383 4.550 5 50 EJBA COc1ccc(COc2cc(C)c3c(c2)oc(=O)c2ccccc23)cc1 2812139 QPMJEJYNJALXCN-UHFFFAOYSA-N 346.382 4.842 5 50 EJBA biogenic CC(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)C)c1O 262371 VFRQHTCLMHSJKA-UHFFFAOYSA-N 342.395 4.800 5 50 EJBA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc([N+](=O)[O-])c1 799316 CQGJEVZHKMLSNN-UHFFFAOYSA-N 344.676 4.519 5 50 EJBA Cc1c(NC(=O)/C=C/c2cccc3ccccc23)cccc1[N+](=O)[O-] 450361 PTVFIGHINOJCGV-OUKQBFOZSA-N 332.359 4.708 5 50 EJBA CCOc1ccc2c(c1)sc1nc(-c3cccc([N+](=O)[O-])c3)cn12 1390343 WHNSCKRERBOGHG-UHFFFAOYSA-N 339.376 4.523 5 50 EJBA O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 102801 HFQOMTGFSFHQMB-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA O=C(CCc1ccccc1)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 98657 BVRSZVZYIAFOIE-UHFFFAOYSA-N 346.386 4.833 5 50 EJBA CCCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 1909386 GCROSISSFPFKJP-UHFFFAOYSA-N 332.787 4.843 5 50 EJBA O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC1CCCCCC1 5032181 BKOUAMVADYSSTN-SFHVURJKSA-N 327.428 4.766 5 50 EJBA O=[N+]([O-])/C=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 465765 XCVXZFRNLJKXBC-AATRIKPKSA-N 328.549 4.610 5 50 EJBA Cc1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1C 2997646 HULJAUCPGFTAFY-UHFFFAOYSA-N 336.347 4.724 5 50 EJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(-c2ccccc2)cc1 4953367 BKNQVSBDAWQHPY-UHFFFAOYSA-N 332.359 4.823 5 50 EJBA O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)cc1 85366 VHCYHVUSJKRVDZ-UHFFFAOYSA-N 336.134 4.619 5 50 EJBA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] 131499 VCPZUGGKOPRFFP-UHFFFAOYSA-N 344.676 4.519 5 50 EJBA C[C@H](NC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)C(C)(C)C 1056527 JWUACHIPJWCTHH-QMMMGPOBSA-N 340.832 4.627 5 50 EJBA CC(C)(C)c1ccc(NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 4382602 RFDVQBIGBADNRS-UHFFFAOYSA-N 332.787 4.798 5 50 EJBA C/C=C1/C[N@+]2(CCCC)CC[C@]34C(=Nc5ccccc53)/C(=C/O)[C@H]1C[C@@H]42 1772493002 LQDGJFHWZHMWLV-QKKFFMOOSA-O 349.498 4.821 5 50 EJBA Cc1cccc(C(C)C)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 140356 GVYHUAYLNUHLAF-UHFFFAOYSA-N 332.787 4.932 5 50 EJBA CC[C@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 3137112 LXSWIXTZZJRXIN-SJCJKPOMSA-N 342.351 4.516 5 50 EJBA O=C(CCNc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 2522050 CICDFKKRNUNKHI-UHFFFAOYSA-N 346.386 4.947 5 50 EJBA O=[N+]([O-])c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 55194 QSJFEWWENJXUCR-UHFFFAOYSA-N 327.343 4.872 5 50 EJBA in-vitro Cc1ccc(-c2nc(N)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 453347 YKYMDLRJJKKEGA-UHFFFAOYSA-N 325.393 4.584 5 50 EJBA O=[N+]([O-])c1ccc(Oc2cc(C(F)(F)F)ccc2Cl)cc1O 34925457 LAQHVVDEDALXRE-UHFFFAOYSA-N 333.649 4.765 5 50 EJBA Cc1ccc(N(Cc2ccccc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 577227 QQEJSMVGHYLAIY-UHFFFAOYSA-N 346.386 4.750 5 50 EJBA O=[N+]([O-])c1ccc(Nc2ccccc2-c2ccccc2)c2nonc12 3879010 KMJPYSQOCBYMCF-UHFFFAOYSA-N 332.319 4.542 5 50 EJBA in-vitro CC(=O)Oc1ccc(C)c2ccc(/C=C/c3ccccc3[N+](=O)[O-])nc12 5019907 HTEYJUXHIJCSCW-CMDGGOBGSA-N 348.358 4.547 5 50 EJBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2Cl)o1 543930 MGHQLWONXNHKIB-UHFFFAOYSA-N 342.738 4.761 5 50 EJBA COc1ccc([N+](=O)[O-])cc1NC1CCC(c2ccccc2)CC1 758747 FYXOIOQVGBFMND-UHFFFAOYSA-N 326.396 4.742 5 50 EJBA CCCCCn1c2ccc([N+](=O)[O-])cc2c2cc([N+](=O)[O-])ccc21 3130003 NNIZZPGVNKZMFN-UHFFFAOYSA-N 327.340 4.801 5 50 EJBA CCOC(=O)[C@H]1CCCCN1Cc1c2ccccc2cc2ccccc12 4987349 ZDIZOZCYVOUPAU-JOCHJYFZSA-N 347.458 4.911 5 50 EJBA Cc1c(Br)ccc(N2Cc3ccccc3[C@@H]2C)c1[N+](=O)[O-] 2325826798 NANZCJLMFQDLAX-NSHDSACASA-N 347.212 4.747 5 50 EJBA CCC(C)(C)C1CCC(NC(=S)Nc2cccc([N+](=O)[O-])c2)CC1 621570 CNFYNSFZSABGTJ-UHFFFAOYSA-N 349.500 4.876 5 50 EJBA O=C(Nc1ccc(Cl)cc1)c1ccc2nc3ccccc3nc2c1 3997401 ROBRISJRSONTBB-UHFFFAOYSA-N 333.778 4.689 5 50 EJBA COc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1 3893122 FKVHCMRBKKNTHE-UHFFFAOYSA-N 339.398 4.795 5 50 EJBA CC(C)=CCCCCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4980841 QGOHQPYKOZVJTR-UHFFFAOYSA-N 345.487 4.634 5 50 EJBA O=c1oc2cc(OCc3c(F)cccc3F)ccc2c2ccccc12 609433 LVLSIJYGOZMCFU-UHFFFAOYSA-N 338.309 4.803 5 50 EJBA CC(C)(C)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 143337 AIHKFJPEEDMKEA-UHFFFAOYSA-N 333.771 4.765 5 50 EJBA O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2)c(Cl)c1 3159905 OJCPNNLSNDNXLX-UHFFFAOYSA-N 328.549 4.803 5 50 EJBA O=[N+]([O-])c1ccc2c(c1)c1cc([N+](=O)[O-])ccc1n2Cc1ccccc1 3129822 RLMAEHHDDARVSK-UHFFFAOYSA-N 347.330 4.659 5 50 EJBA OC[C@@H]1CCCN(Cc2ccc3ccc4cccc5ccc2c3c45)C1 4988756 JXRUARRADMFWKY-MRXNPFEDSA-N 329.443 4.788 5 50 EJBA CSc1ccc(NC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 4771231 YOVXEPLEGNQXPN-UHFFFAOYSA-N 337.788 4.614 5 50 EJBA Cc1c(OCc2ccccc2F)ccc2c1oc(=O)c1ccccc12 46595 DCFSEKGTAARFBB-UHFFFAOYSA-N 334.346 4.973 5 50 EJBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 438572 XCVOHIVIAJOERN-FPYGCLRLSA-N 337.162 4.554 5 50 EJBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cccc(Cl)c2)o1 5094280 HZCUZIUZUOOYGM-UHFFFAOYSA-N 342.738 4.761 5 50 EJBA CC(C)(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Cl)cc1 22015540 GCXMUDMHRSBJEH-UHFFFAOYSA-N 346.814 4.689 5 50 EJBA COc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccc(C(C)C)cc1 4999130 AXRRVWITCIOGCJ-UHFFFAOYSA-N 345.424 4.536 5 50 EJBA CC1=CC(C)(C)N(C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21 173264 STXFPBSHQJHYNP-UHFFFAOYSA-N 337.379 4.829 5 50 EJBA COc1ccccc1OCCCCCCOc1ccccc1[N+](=O)[O-] 2906406 NYMVVUNRTJVLGW-UHFFFAOYSA-N 345.395 4.622 5 50 EJBA C[C@@H](OSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)c1ccccc1 2166273 WVQFLVUVBIPBSO-NWDGAFQWSA-N 348.380 4.719 5 50 EJBA COc1ccc(Cc2c3ccccc3nc3ccccc23)cc1OC 96028118 GZWDWQIROWCJKK-UHFFFAOYSA-N 329.399 4.996 5 50 EJBA O=[N+]([O-])c1ccc2nc(-c3nccs3)cc(-c3ccccc3)c2c1 482165316 COJGNJYNXACWEO-UHFFFAOYSA-N 333.372 4.934 5 50 EJBA O=[N+]([O-])c1cccc(-c2nc(NC3CCCC3)c3ccccc3n2)c1 2814889 DESHFYNUCSAVNE-UHFFFAOYSA-N 334.379 4.560 5 50 EJBA CC1CC(N[C@@H](C)c2cccc([N+](=O)[O-])c2)(c2ccccc2F)C1 2325829568 MYHUFTJTYXFNOH-BIWSTMPVSA-N 328.387 4.710 5 50 EJBA Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cc2ccccc2o1 4526060 BAQRVTBQMUOXJQ-UHFFFAOYSA-N 330.727 4.555 5 50 EJBA O=[N+]([O-])c1cccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)c1 4851927 DJTKIILFRBLODT-OAQYLSRUSA-N 343.386 4.951 5 50 EJBA O=C(/C=C/c1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 441759 VXOWURLJSKXGMV-VMPITWQZSA-N 337.162 4.554 5 50 EJBA O=[N+]([O-])c1ccc2nc(Sc3nc4ccccc4s3)sc2c1 2909621 JSHAAIAVKYJQTQ-UHFFFAOYSA-N 345.430 4.965 5 50 EJBA Cc1ccc(NC(=O)Oc2cc(C)c(C)cc2Cl)c([N+](=O)[O-])c1 4799752 GRHLNMWECZVSLX-UHFFFAOYSA-N 334.759 4.784 5 50 EJBA Cc1nn(-c2ccccc2)c(C)c1Sc1ccccc1[N+](=O)[O-] 189871 HLLNZYSBIVVXQI-UHFFFAOYSA-N 325.393 4.549 5 50 EJBA O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1F)N2 239386707 QBSIEWSEDMESAI-CQTZQYROSA-N 338.382 5.030 5 50 EJBA O=C(Nc1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 4833536 FEODOIDPFQQNOA-UHFFFAOYSA-N 334.331 4.639 5 50 EJBA O=[N+]([O-])c1ccc(COc2ccc(CNc3ccccc3)cc2)cc1 617835 XMQWHVOXNYVVEE-UHFFFAOYSA-N 334.375 4.786 5 50 EJBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1CCc1ccccc1 4036585 XBCSQQJNMIWMOK-UHFFFAOYSA-N 346.386 4.632 5 50 EJBA O=[N+]([O-])c1ccc(-c2nc(NC3CCCCC3)c3ccccc3n2)cc1 72018 JCQGNPMRDJNTJP-UHFFFAOYSA-N 348.406 4.950 5 50 EJBA CCCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 2897595 KLXDDQGHBXWIHF-UHFFFAOYSA-N 348.786 4.679 5 50 EJBA CCN1CCN(Cc2c3ccccc3c(Cl)c3ccccc23)CC1 19634837 RRAUFWWBPNNBHI-UHFFFAOYSA-N 338.882 4.784 5 50 EJBA O=C(O)c1cc(-c2cccc(OCc3ccccc3)c2)cc([N+](=O)[O-])c1 85476737 VBYSQNKCQOGZNO-UHFFFAOYSA-N 349.342 4.539 5 50 EJBA in-vitro COc1ccccc1Cn1c2ccccc2c2nc3ccccc3nc21 205524 QULNZERNIQPONB-UHFFFAOYSA-N 339.398 4.795 5 50 EJBA O=[N+]([O-])c1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)cc1 19720761 XOXFTTZLYIITQI-OAQYLSRUSA-N 332.403 4.668 5 50 EJBA O=C(Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 103055 DPTAHNHKWVZHEN-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA CCOC(=O)c1c2ccccc2c(Br)c2ccccc12 85210577 CGVWQGPVBMLCSL-UHFFFAOYSA-N 329.193 4.932 5 50 EJBA O=C(CCNc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 2520624 MZLJIOOSNIKWSF-UHFFFAOYSA-N 339.178 4.587 5 50 EJBA O=[N+]([O-])c1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1 4336648 OISCBHHURZLAMT-OAQYLSRUSA-N 343.386 4.951 5 50 EJBA O=[N+]([O-])c1ccc(-c2c[nH]c(SCc3ccccc3Cl)n2)cc1 5819104 RMPJRNWBZOBVOS-UHFFFAOYSA-N 345.811 4.931 5 50 EJBA aggregator O=C(Nc1cccnc1Cl)c1cc2ccccc2c2cccnc12 225444339 KXZKYCJZAMHHRL-UHFFFAOYSA-N 333.778 4.689 5 50 EJBA O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1 619030 MALTWJLGMLVUNB-UHFFFAOYSA-N 342.207 4.711 5 50 EJBA C[C@H](OSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 2166274 WVQFLVUVBIPBSO-NEPJUHHUSA-N 348.380 4.719 5 50 EJBA O=C(Nc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])c(Cl)c1 5005070 ZPSWGBORXUBKAH-UHFFFAOYSA-N 344.676 4.519 5 50 EJBA CCCCn1c(-c2ccc([N+](=O)[O-])cc2)nc(=S)c2c1CCCC2 2814693 RXVXOTQEUNDLEJ-UHFFFAOYSA-N 343.452 4.867 5 50 EJBA Cc1cc(C)cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 316681 PAMPVFNHYINPGU-GQCTYLIASA-N 330.771 4.517 5 50 EJBA CCCCn1c(-c2cccc([N+](=O)[O-])c2)nc(=S)c2c1CCCC2 2697264 OGMLRUORVIGFBV-UHFFFAOYSA-N 343.452 4.867 5 50 EJBA O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1Cl 463800 XJOAFQSXULIRPW-VMPITWQZSA-N 337.162 4.554 5 50 EJBA O=C(Nc1ccccc1Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 370637 NZFPRJYBIKOXNP-UHFFFAOYSA-N 334.331 4.639 5 50 EJBA CN(C)c1ccc(C(=O)Cc2nc3ccccc3c3ccccc23)cc1 86000436 YXUDOLSUGNSQGS-UHFFFAOYSA-N 340.426 4.879 5 50 EJBA COc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)cc1OC 57673 QDZQDIUUJDAORK-UHFFFAOYSA-N 332.355 4.630 5 50 EJBA biogenic,in-vitro C[C@@H]1CC(C)(C)Nc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc21 316820 JMEBGWUQJNIWHG-GFCCVEGCSA-N 340.379 4.512 5 50 EJBA Cc1ccc(Cl)cc1NC(=S)Nc1ccc(F)cc1[N+](=O)[O-] 13840571 KIVADXUHZPIVDL-UHFFFAOYSA-N 339.779 4.505 5 50 EJBA CCCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 1777432 WILBKRMXCHHCKL-UHFFFAOYSA-N 348.786 4.679 5 50 EJBA CCCCN(CCCC)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4583070 ZOKDXPZFULFCFB-UHFFFAOYSA-N 327.812 4.682 5 50 EJBA C/C=C1/C[N@@+]2(CCCC)CC[C@]34C(=Nc5ccccc53)C(=CO)[C@H]1C[C@@H]42 1857525806 LQDGJFHWZHMWLV-WRQSXTAJSA-O 349.498 4.821 5 50 EJBA C[N+](C)(CCCCC[N+](C)(C)Cc1ccccc1)Cc1ccccc1 2900783 JDGXYYBHULLIEC-UHFFFAOYSA-N 340.555 4.710 5 50 EJBA O=[N+]([O-])c1ccccc1NC(=S)Nc1cccc(Cl)c1Cl 13790867 WMFKWBVJLJKOIT-UHFFFAOYSA-N 342.207 4.711 5 50 EJBA O=[N+]([O-])c1cc(C(F)(F)F)cc2c1sc1nc3ccccc3n12 306969 CHNZIMIKXQEXIS-UHFFFAOYSA-N 337.282 4.629 5 50 EJBA CCC(=O)Oc1cccc2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)nc12 4985710 YNFYRNKKQPJFHV-UXBLZVDNSA-N 348.358 4.629 5 50 EJBA C/C=C/c1c(F)c(F)c(Oc2ccc([N+](=O)[O-])cc2)c(F)c1F 472130 IIDSPPRJPREMCX-NSCUHMNNSA-N 327.233 4.977 5 50 EJBA O=C(Oc1ccccc1C1CCCCC1)c1cccc([N+](=O)[O-])c1 3123146 MSBDLCSZXAQKRW-UHFFFAOYSA-N 325.364 4.862 5 50 EJBA O=[N+]([O-])c1cccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)c1 4758432 DJTKIILFRBLODT-NRFANRHFSA-N 343.386 4.951 5 50 EJBA CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2156209 QQQVIFLKFBMOQI-UHFFFAOYSA-N 332.787 4.798 5 50 EJBA O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc2ccccc12 4543433 REDDYZRJZFCJQE-UHFFFAOYSA-N 326.739 4.654 5 50 EJBA Cc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 4652301 XITQHFVFOVRMLB-XYOKQWHBSA-N 338.407 4.853 5 50 EJBA CC[C@@H](Nc1ncc(C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 302773901 NXPGVMSTBXSVLA-SNVBAGLBSA-N 331.319 4.633 5 50 EJBA O=C(Oc1ccccc1)Oc1ccc2c(c1)oc(=O)c1ccccc12 63677 GRZFLTREEADAON-UHFFFAOYSA-N 332.311 4.524 5 50 EJBA O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1 13880525 HPPUNEJALNAVDH-FNORWQNLSA-N 337.162 4.554 5 50 EJBA CC(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 446421 IBCSIGZUVJKKGL-UHFFFAOYSA-N 330.390 4.558 5 50 EJBA Cc1cccc([N+](=O)[O-])c1NC(=O)Oc1ccc(Cl)c(Cl)c1 4760328 KICLWPUXZYGRHO-UHFFFAOYSA-N 341.150 4.821 5 50 EJBA O=C(Nc1cccc([N+](=O)[O-])c1)NC(c1ccccc1)c1ccccc1 3086089 RVYGCUQFFGPFAR-UHFFFAOYSA-N 347.374 4.506 5 50 EJBA CCCn1c2ccc(Br)cc2c2nc3ccccc3nc21 92335 GKZRFYGHDWCJQJ-UHFFFAOYSA-N 340.224 4.910 5 50 EJBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccccc1C(C)(C)C 17071660 LWPBHVMXDBXLGP-UHFFFAOYSA-N 343.383 4.545 5 50 EJBA O=c1c2ccccc2nc2nc(-c3ccccc3)cc(-c3ccccc3)n12 275182 NFWSPCAXLKXOAU-UHFFFAOYSA-N 349.393 4.577 5 50 EJBA CCOc1ccc(C(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 455959 VYFXYKNQGUEIBH-UHFFFAOYSA-N 340.162 4.531 5 50 EJBA O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 103253 GSOFFQPSRDZVKX-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA COc1ccc(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12 1165302 HSOJIRADAGJXFE-UHFFFAOYSA-N 341.750 4.641 5 50 EJBA O=[N+]([O-])c1ccc(Cl)cc1NCCOc1cccc2ccccc12 4694075 OLPSIRPVHSJNNY-UHFFFAOYSA-N 342.782 4.892 5 50 EJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(Cl)c1Cl 1738499 XQJGSTYNYFNLDI-UHFFFAOYSA-N 340.166 4.854 5 50 EJBA CC(C)N(c1ccccc1)c1ncnc(Nc2ccccc2)c1[N+](=O)[O-] 4054716 LYSHPYHYFAAWIX-UHFFFAOYSA-N 349.394 4.675 5 50 EJBA O=C(Nc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 4794686 DCUUDDXKUDUHQH-UHFFFAOYSA-N 326.139 4.546 5 50 EJBA Cc1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)c(C)c1 442939 CESCXLIXDCZOEB-UHFFFAOYSA-N 343.382 4.815 5 50 EJBA Cc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1[N+](=O)[O-] 447755 IMWCIWNBKRZTKH-UHFFFAOYSA-N 347.374 4.899 5 50 EJBA CCCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 2897593 FSZSSMKMMKHKIR-UHFFFAOYSA-N 348.786 4.679 5 50 EJBA CC[C@@H](C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 3137113 LXSWIXTZZJRXIN-YVEFUNNKSA-N 342.351 4.516 5 50 EJBA O=c1c2ccc(Cl)c3cccc(c32)c2nc3cc(Cl)ccc3n12 325850 AIMTZFSVOJTIJT-UHFFFAOYSA-N 339.181 4.899 5 50 EJBA O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 102778 CZKJNORWSDOONQ-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA CCN(CC)Cc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C 5073482 KCPLATLULSLMSK-UHFFFAOYSA-N 337.423 4.595 5 50 EJBA CCc1cccc(C)c1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4794820 PSSVHNAMSAWMAD-UHFFFAOYSA-N 333.775 4.763 5 50 EJBA O=[N+]([O-])c1cccc(Cc2cn3c(-c4ccccc4)cnc3s2)c1 63481 PLXUGBFDGFEPNM-UHFFFAOYSA-N 335.388 4.562 5 50 EJBA C[C@@H]1CCCCN1c1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12 2813638 BSVBOTMYVUJNBM-CQSZACIVSA-N 348.406 4.584 5 50 EJBA CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc(Cl)c1 1875388244 SGZORGIRXZGMFU-UHFFFAOYSA-N 340.166 4.570 5 50 EJBA Cc1ccccc1NC(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4542795 NTWVAEJOKCPMIF-ZRDIBKRKSA-N 348.358 4.815 5 50 EJBA O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 3898825 UJRZNOKABKPMIK-OAQYLSRUSA-N 343.386 4.951 5 50 EJBA Cc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 315596 PUTNDQVDSKHDRD-XYOKQWHBSA-N 338.407 4.853 5 50 EJBA O=C(Nc1cccc(Cl)c1Cl)c1cc(Cl)ccc1[N+](=O)[O-] 441693 YESLGHBDQRCHHF-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA O=[N+]([O-])c1ccc(-c2c(S)sc3c4ccccc4cc[n+]23)cc1 71767288 AGMZPFVKRIDDHT-UHFFFAOYSA-O 339.421 4.504 5 50 EJBA Cc1ccc2ncc(-c3ccc4c([N+](=O)[O-])c(C)ccc4n3)cc2c1 54271 PNIMWLPDGWKXQK-UHFFFAOYSA-N 329.359 4.975 5 50 EJBA Cc1nc(C)c(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)s1 190391 MXCVVVMUIZWHMS-UHFFFAOYSA-N 332.410 4.535 5 50 EJBA Cc1ccc(S[C@H](C)c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 2880130 PLSFOAHKIWOHMU-GFCCVEGCSA-N 341.392 4.807 5 50 EJBA CC(C)(COCc1ccccc1)c1cc2cc([N+](=O)[O-])c(F)cc2[nH]1 253496183 QSPIMYRCLPKMBI-UHFFFAOYSA-N 342.370 4.710 5 50 EJBA Cc1ccc(C)c(C(=O)Cc2cc3c(ccc4ccccc43)oc2=O)c1 304813 DHUHSYUOCSPCLM-UHFFFAOYSA-N 342.394 4.988 5 50 EJBA biogenic CC[N+]1(CCCCCC[N@+]2(CC)C[C@@H](C)[C@@H](C)C2)C[C@H](C)[C@@H](C)C1 1775973363 AAONOOFHVZOPJX-CHSSDKTLSA-N 338.624 4.792 5 50 EJBA Cc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1C 305322 HWZDZZRXPVJOKY-VMPITWQZSA-N 330.771 4.517 5 50 EJBA O=C(/C=C/c1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl 441580 XFOAWNBNGRWNAV-QPJJXVBHSA-N 337.162 4.554 5 50 EJBA CC1=CC[C@H]2CO[C@@H](C[N+]3(Cc4ccccc4)CCCCC3)[C@H]1C2 100291505 ULQYYPQXTLRTOA-FSSWDIPSSA-N 326.504 4.559 5 50 EJBA Cc1nc(C)c(-c2csc(Nc3ccccc3[N+](=O)[O-])n2)s1 5065331 WIYUWKYYPIOXMJ-UHFFFAOYSA-N 332.410 4.535 5 50 EJBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1 201807 WNSGAQRKXDCIDG-QPJJXVBHSA-N 337.162 4.554 5 50 EJBA O=[N+]([O-])c1ccc(CCCCCCc2ccc([N+](=O)[O-])cc2)cc1 3080664 VLWFPNKFKNBCGX-UHFFFAOYSA-N 328.368 4.849 5 50 EJBA O=C(Nc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Cl 4583046 IKKNWNPYWGXRGL-UHFFFAOYSA-N 326.139 4.546 5 50 EJBA O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1F 59332 ZKPZJEDZVGASOU-UHFFFAOYSA-N 336.322 4.653 5 50 EJBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1Cl 258875 FRNOFGROKLFPGK-QPJJXVBHSA-N 337.162 4.554 5 50 EJBA O=C(Nc1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 1403827 VYZJNXRLOHFPQZ-UHFFFAOYSA-N 332.768 4.715 5 50 EJBA O=C(c1cccc([N+](=O)[O-])c1)N(C1CCCCC1)C1CCCCC1 340582 CLJAGUAJZRHVBK-UHFFFAOYSA-N 330.428 4.702 5 50 EJBA O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 473449 CYUWDJGZORSQND-QPJJXVBHSA-N 337.162 4.554 5 50 EJBA O=[N+]([O-])c1ccc(CN(CCc2ccccc2)Cc2ccccc2)cc1 19632845 JTJQIZFGHCUMRE-UHFFFAOYSA-N 346.430 4.840 5 50 EJBA O=[N+]([O-])c1ccc(Cl)cc1CN1CC=C(c2ccc(F)cc2)CC1 55291876 YWAJVEJMNAILGF-UHFFFAOYSA-N 346.789 4.677 5 50 EJBA O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 455442 DJDXYIBOAOKCFS-UHFFFAOYSA-N 344.676 4.519 5 50 EJBA COc1ccc(-c2cc3c(ccc4ccccc43)oc2=O)cc1OC 193275 RTHLUXXSEISSOY-UHFFFAOYSA-N 332.355 4.630 5 50 EJBA biogenic O=C(CCNc1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 1197102 FQZGOZQRHSNBDS-UHFFFAOYSA-N 346.386 4.947 5 50 EJBA O=[N+]([O-])c1ccc(N2CCCCC2)cc1NCc1ccc(Cl)cc1 3894082 QORFCRIBNSKVNC-UHFFFAOYSA-N 345.830 4.851 5 50 EJBA CC[N+]1(CCCCCC[N+]2(CC)C[C@H](C)[C@@H](C)C2)C[C@H](C)[C@@H](C)C1 1775973368 AAONOOFHVZOPJX-CMOCDZPBSA-N 338.624 4.792 5 50 EJBA Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1C(C)C 238990 GNBQLQOGRFVUPT-UHFFFAOYSA-N 333.771 4.899 5 50 EJBA CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 375572 ZQPSVSUYGWVRNY-IZZDOVSWSA-N 342.370 4.683 5 50 EJBA Cc1ccc(Cl)c(NSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 2029118 SQNOVHQZUVSKKJ-UHFFFAOYSA-N 339.760 4.584 5 50 EJBA O=[N+]([O-])c1cc(Cl)ccc1Sc1nccn1Cc1ccccc1 5042245 XBJPCEYHENXDLP-UHFFFAOYSA-N 345.811 4.644 5 50 EJBA OC[C@H]1CCCCN1Cc1ccc2ccc3cccc4ccc1c2c34 4987927 AQRHZUJJYYWQEK-HXUWFJFHSA-N 329.443 4.931 5 50 EJBA O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 436142 LAPHFLDOUDSHGW-UHFFFAOYSA-N 333.347 4.591 5 50 EJBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Nc2ccccc2)cc1 2983222 QVCHUOXTWNURMO-UHFFFAOYSA-N 347.374 4.520 5 50 EJBA O=Cc1ccc(SCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 3883329 AOIPZEHALCKGIL-UHFFFAOYSA-N 341.310 4.718 5 50 EJBA O=[N+]([O-])c1ccccc1/C=C/CN1CCC(Cc2ccccc2)CC1 279380 NHHIFUHRKMGBQL-UXBLZVDNSA-N 336.435 4.563 5 50 EJBA O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1ccccc1Cl 4989827 PIPNESOUWLYPMC-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA CC(C)n1c(-c2cccc([N+](=O)[O-])c2)nc(=S)c2c1CCCC2 202437 CYEZFEPOHYTATA-UHFFFAOYSA-N 329.425 4.647 5 50 EJBA OC[C@@H]1CCCCN1Cc1ccc2ccc3cccc4ccc1c2c34 1226190 AQRHZUJJYYWQEK-FQEVSTJZSA-N 329.443 4.931 5 50 EJBA O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1F)N2 239386708 QBSIEWSEDMESAI-GPQGAXSRSA-N 338.382 5.030 5 50 EJBA CCOc1ccc(C(=O)Nc2ccccc2[C@H](C)CC)cc1[N+](=O)[O-] 463736 ZBIDJBQUDBCCTQ-CYBMUJFWSA-N 342.395 4.759 5 50 EJBA Cc1ccc(Oc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 860007 OQFXYZXIFKXFGB-UHFFFAOYSA-N 348.358 4.948 5 50 EJBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cccc1Cl 4794685 SXCJBUKFQGXJAH-UHFFFAOYSA-N 326.139 4.546 5 50 EJBA O=[N+]([O-])c1ccc(CN[C@@H](Cc2ccccc2)c2ccccc2)cc1 19720760 XOXFTTZLYIITQI-NRFANRHFSA-N 332.403 4.668 5 50 EJBA O=[N+]([O-])c1cc(Cl)c(Br)cc1OCc1ccccc1 95217816 RFUOKCSSXNEZBW-UHFFFAOYSA-N 342.576 4.590 5 50 EJBA O=C(Nc1cccc(Cl)c1Cl)c1cc([N+](=O)[O-])ccc1Cl 103079 ZHXUFADYXSAMJN-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc12 1165138 AWEDSPFBCMJRSN-UHFFFAOYSA-N 341.750 4.641 5 50 EJBA Cc1ccc(NC(=O)c2oc3ccc(Cl)cc3c2C)c([N+](=O)[O-])c1 3900135 WPBWMKBNUGPUGX-UHFFFAOYSA-N 344.754 4.864 5 50 EJBA Cc1cc(C(=O)Oc2ccc(Cc3ccccc3)cc2)ccc1[N+](=O)[O-] 317833 APJFEJSBAGIMSI-UHFFFAOYSA-N 347.370 4.713 5 50 EJBA COc1cccc(COc2ccc3c(c2)oc(=O)c2ccccc23)c1 4833369 UMLARORMNUPVLN-UHFFFAOYSA-N 332.355 4.534 5 50 EJBA biogenic O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccco1 619194 QCSQKSHPHOWEGR-UHFFFAOYSA-N 340.360 4.591 5 50 EJBA C[C@@H](NCc1cc(=O)oc2ccc3ccccc3c12)c1cccc(O)c1 181581816 AGAYCKWHGPBRFR-CQSZACIVSA-N 345.398 4.503 5 50 EJBA Cc1c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cccc1[N+](=O)[O-] 447639 WKBBYMHBQFLJPE-UHFFFAOYSA-N 344.370 4.727 5 50 EJBA CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 472029 SPSOOZFIKZUEGP-KGLIPLIRSA-N 326.396 4.851 5 50 EJBA Cc1ccc(NC(=O)Oc2c(C)cc(Cl)cc2C)c([N+](=O)[O-])c1 4799748 YAUCSOSOZKXYKT-UHFFFAOYSA-N 334.759 4.784 5 50 EJBA CC[C@H](Nc1ncc(C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1 302773900 NXPGVMSTBXSVLA-JTQLQIEISA-N 331.319 4.633 5 50 EJBA Cc1c(OCC(=O)c2ccccc2)ccc2c1oc(=O)c1ccccc12 373997 XHDUXUNTSIDPMR-UHFFFAOYSA-N 344.366 4.516 5 50 EJBA CCN(CC)C(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 2880760 QZCUCDHGADIULE-UHFFFAOYSA-N 348.786 4.523 5 50 EJBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1ccccc1 5063054 YYJSZRLCKKWQSO-UHFFFAOYSA-N 333.347 4.906 5 50 EJBA CCc1cccc(CC)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 145148 IAWPUQABOMKFRR-UHFFFAOYSA-N 332.787 4.625 5 50 EJBA O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-] 4955740 IUZJHGAAUIQMLR-UHFFFAOYSA-N 326.139 4.546 5 50 EJBA Cc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1 239339258 LXGRJWOLAZPOJC-UAADMILHSA-N 334.419 5.200 5 50 EJBA Cc1ccccc1C(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 59199 XWCJKPWVSCWFJG-UHFFFAOYSA-N 332.359 4.823 5 50 EJBA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)Oc1ccc(F)cc1Cl 2156371 FZZBMEDMDJYZJA-UHFFFAOYSA-N 345.113 4.652 5 50 EJBA Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1cccc2ccccc12 4616784 GSDAWEDLXVQLHJ-FMIVXFBMSA-N 332.359 4.708 5 50 EJBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ccccc2)cc1 125188 PICIHIQJPMRKKN-UHFFFAOYSA-N 332.359 4.823 5 50 EJBA Cc1c(NC(=O)Nc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] 610779 YXIDXIAONQOABE-UHFFFAOYSA-N 339.273 4.566 5 50 EJBA O=C(Nc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1Cl 2493618 UEKKHFYAUDJLQS-UHFFFAOYSA-N 326.739 4.654 5 50 EJBA O=[N+]([O-])c1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1 4336647 OISCBHHURZLAMT-NRFANRHFSA-N 343.386 4.951 5 50 EJBA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1Cl 452493 VIFPHUNQOIHYJW-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA O=C(Oc1ccc(C2CCCCC2)cc1)c1ccccc1[N+](=O)[O-] 285382 NQEWDGDPIRKIFL-UHFFFAOYSA-N 325.364 4.862 5 50 EJBA C[C@@H](CCc1ccccc1)Nc1cc(N2CCCC2)ccc1[N+](=O)[O-] 4543432 FFZOMMKSBOHSTC-INIZCTEOSA-N 339.439 4.628 5 50 EJBA O=[N+]([O-])c1cccc(CN[C@H](Cc2ccccc2)c2ccccc2)c1 19720511 RJWHELKYTYPFJZ-OAQYLSRUSA-N 332.403 4.668 5 50 EJBA O=C(Nc1cccc(Cl)c1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 102810 VGOOYJLWZFNZFG-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1[N+](=O)[O-] 271917 FQQFRROFIDZWHY-UHFFFAOYSA-N 344.676 4.519 5 50 EJBA Cc1ccc(S[C@@H](C)c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 2880129 PLSFOAHKIWOHMU-LBPRGKRZSA-N 341.392 4.807 5 50 EJBA O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1 233268 IUOUNQOIBQSNNB-UHFFFAOYSA-N 327.343 4.872 5 50 EJBA CCc1cccc(C)c1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 310155 USGYAHZBTFSHBJ-CSKARUKUSA-N 344.798 4.771 5 50 EJBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1Cl 437943 VAPLXPZFIFRIAU-FPYGCLRLSA-N 337.162 4.554 5 50 EJBA Cc1cc(C(=O)OC(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] 467071 IWKKUYCVDAWDPA-UHFFFAOYSA-N 347.370 4.850 5 50 EJBA CC[N+](CC)(CC)CCc1ccc(CC[N+](CC)(CC)CC)cc1 1775970421 MCYPCKWTHMCVFC-UHFFFAOYSA-N 334.592 4.525 5 50 EJBA CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccccc1Cl 473973 IDWYPWHZBSKXBF-MDZDMXLPSA-N 333.771 4.565 5 50 EJBA O=C(Nc1cccc([N+](=O)[O-])c1)Nc1c(Cl)cccc1Cl 2156306 FUCBBYGECATBEZ-UHFFFAOYSA-N 326.139 4.546 5 50 EJBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ccccc2)cc1 462106 OWTHHEGOXRPOAM-UHFFFAOYSA-N 348.358 4.568 5 50 EJBA Cc1cc(OC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(C)c1Cl 1753524 VMWCOTMEEOAMSV-UHFFFAOYSA-N 338.722 4.615 5 50 EJBA O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)[C@H](c3ccco3)C2)cc1 4265718 DCFSIJLWXJXSQC-SFHVURJKSA-N 333.347 4.544 5 50 EJBA O=C(Nc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2ccccc2)cc1 4761580 NVQXCEGPGWMJTJ-UHFFFAOYSA-N 334.331 4.873 5 50 EJBA O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)C=Nc1ccc3ccccc3c1O2 4577156 QJSDIRQNSXWXFH-UHFFFAOYSA-N 335.275 4.513 5 50 EJBA Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 6923988 FBVJBQQHWDBHNV-UHFFFAOYSA-N 339.273 4.566 5 50 EJBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl 4764839 XIZYPFIIRHVPHF-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA CC(C)c1ccc(CNc2cc(N3CCCC3)ccc2[N+](=O)[O-])cc1 4543595 WZMPHVIEYVVAIG-UHFFFAOYSA-N 339.439 4.931 5 50 EJBA Cc1ccc([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc1[N+](=O)[O-] 181173 RGKMALREZDAGAS-QGZVFWFLSA-N 332.359 4.531 5 50 EJBA aggregator CC(C)(C)c1ccc(C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)cc1 135805 PXXFDFUHAJDXCW-UHFFFAOYSA-N 347.798 4.903 5 50 EJBA O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CCC=CCCC=CCC[C@H]21 585090516 TVPSUVVLKOFAJS-MNZLEMJZSA-N 340.423 4.862 5 50 EJBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc2cccnc12 2543553 KXGWJRSSEBLGPV-UHFFFAOYSA-N 334.253 4.954 5 50 EJBA O=[N+]([O-])c1ccccc1-c1nc(-c2ccccc2)nc2ccccc12 126624 FBKJBMYRWAFHEQ-UHFFFAOYSA-N 327.343 4.872 5 50 EJBA O=[N+]([O-])c1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1 460959 UKJADNVCKXUUJF-UHFFFAOYSA-N 336.134 4.619 5 50 EJBA Cc1ccc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 433592 HNDJGTVCSNXNMF-UHFFFAOYSA-N 348.358 4.948 5 50 EJBA O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 4983746 BMQIKAIGPZQQFM-UHFFFAOYSA-N 339.395 4.592 5 50 EJBA Cc1cccc(Oc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c1 318365 HQKOACIKGXXPKO-UHFFFAOYSA-N 348.358 4.948 5 50 EJBA O=[N+]([O-])c1cccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1 1395220 UBGAMGPBGRAUFQ-UHFFFAOYSA-N 341.676 4.582 5 50 EJBA Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1C 4904461 PIENSCJXTOYKKT-UHFFFAOYSA-N 339.178 4.771 5 50 EJBA CC(C)(C)C(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 258720 TWBLPCISEHITTR-UHFFFAOYSA-N 330.409 4.731 5 50 EJBA O=C(Oc1cccc([N+](=O)[O-])c1)c1sc2ccccc2c1Cl 358485 ZQFBTTHUHFXHCF-UHFFFAOYSA-N 333.752 4.682 5 50 EJBA O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl 103003 NGUNCVWFBVTSFI-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA O=[N+]([O-])c1ccc(-c2noc(-c3cc(Cl)ccc3Cl)n2)cc1 471887 NJAAVQUCZNYVIV-UHFFFAOYSA-N 336.134 4.619 5 50 EJBA O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1Sc1ccccc1 1606329 PWDBUOFAVPIYFL-UHFFFAOYSA-N 326.333 4.807 5 50 EJBA O=[N+]([O-])c1cccc(Cl)c1CSc1nnc(-c2ccccc2)o1 4843226 SBUVRRHZDFNHEL-UHFFFAOYSA-N 347.783 4.591 5 50 EJBA C[C@@H]1CCC[C@H](N[C@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)C1 248079633 CMNZFXFFEKYCDQ-VBHSOAQHSA-N 327.428 4.622 5 50 EJBA O=C(Nc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 102999 KNKDCPJVMXMNKH-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA Cc1ncsc1-c1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 888099522 OJXPOAOBHBSBIG-UHFFFAOYSA-N 325.393 4.639 5 50 EJBA CCCCc1ccc(OC(=O)CSc2ccccc2[N+](=O)[O-])cc1 1796623 NMUWARBPASXTFO-UHFFFAOYSA-N 345.420 4.635 5 50 EJBA O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1Cl 4852073 QMXSXIXRYOTQEW-UHFFFAOYSA-N 344.676 4.519 5 50 EJBA O=[N+]([O-])c1cccc(CN[C@@H](Cc2ccccc2)c2ccccc2)c1 19720510 RJWHELKYTYPFJZ-NRFANRHFSA-N 332.403 4.668 5 50 EJBA COc1ccc(COc2ccc3c(oc(=O)c4ccccc43)c2C)cc1 403695 IUDUEONZSHLLFM-UHFFFAOYSA-N 346.382 4.842 5 50 EJBA C[C@@H](Oc1cccnc1[N+](=O)[O-])c1c(Cl)ccc(F)c1Cl 66352143 VGDOUCIQKWTGJY-SSDOTTSWSA-N 331.130 4.576 5 50 EJBA CC(C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 4997359 FIGDSXWOLAKDDR-UHFFFAOYSA-N 332.787 4.798 5 50 EJBA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl 4819884 TWZWXDMZQSXWGQ-FPYGCLRLSA-N 337.162 4.554 5 50 EJBA O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(Br)cc1 2863103 ZYXHTOJTZHBCRG-UHFFFAOYSA-N 328.549 4.803 5 50 EJBA O=C(c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl 303249 XVVFUZRHVSFNQA-UHFFFAOYSA-N 330.554 4.786 5 50 EJBA CC1=CC(C)(C)N(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc21 2266723 QYMYAEKFTXPOQF-JLHYYAGUSA-N 348.402 4.837 5 50 EJBA C[C@@H](Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc([N+](=O)[O-])c1 742140519 AWTVIVGLHXDZGT-CYBMUJFWSA-N 340.379 4.809 5 50 EJBA O=[N+]([O-])c1ccc2nc(-c3ccccc3Br)sc2c1 820318037 SQJALNAEOWTUDZ-UHFFFAOYSA-N 335.182 4.634 5 50 EJBA CC[C@H](C)c1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 472032 SPSOOZFIKZUEGP-UONOGXRCSA-N 326.396 4.851 5 50 EJBA COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 4612954 KKVWJUFNMWKKGB-UHFFFAOYSA-N 348.358 4.523 5 50 EJBA Cc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 170634631 RCHMLXWYGONATF-MRXNPFEDSA-N 343.383 4.645 5 50 EJBA O=[N+]([O-])c1ccc2[nH]c(CN3CCCCC3)c(-c3ccccc3)c2c1 190845 NLUCZSYQXNMEBE-UHFFFAOYSA-N 335.407 4.729 5 50 EJBA Cc1c(C(=O)Oc2ccc(-c3ccccc3)cc2)cccc1[N+](=O)[O-] 43191231 XAKCLZQLXGWWIM-UHFFFAOYSA-N 333.343 4.789 5 50 EJBA Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 457803 NREDIBITDARKLJ-UHFFFAOYSA-N 346.386 4.750 5 50 EJBA CC(C)(C)c1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 467008 YCVOTJGXBMPUQJ-UHFFFAOYSA-N 332.787 4.798 5 50 EJBA CC(C)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 469673 NIOCQJDLJPUJRQ-UHFFFAOYSA-N 344.436 4.590 5 50 EJBA O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Cl)c(Cl)c3)n2)cc1 70437 PKBBCFBQPGRMSQ-UHFFFAOYSA-N 336.134 4.619 5 50 EJBA O=C(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 319073 ZMJJASOLGOENTF-UHFFFAOYSA-N 330.554 4.786 5 50 EJBA CCC(=O)Oc1cccc2ccc(/C=C/c3ccccc3[N+](=O)[O-])nc12 4978629 GDKCQKXZEFPKQP-ZRDIBKRKSA-N 348.358 4.629 5 50 EJBA CC[C@@](C)([N+](=O)[O-])C(C)(C)c1ccc(C(=O)c2ccccc2)cc1 3080761 QMKCRAPASOFFPS-HXUWFJFHSA-N 325.408 4.641 5 50 EJBA Cc1ccccc1Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 4455689 MHNVYACLHDHMSC-UHFFFAOYSA-N 341.245 4.574 5 50 EJBA CC(/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O 4097701 PANKHBYNKQNAHN-MQQNZMFNSA-N 328.408 4.609 5 50 EJBA biogenic,in-vitro O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@H]3NC1CCCCCC1 5032176 BKOUAMVADYSSTN-GOSISDBHSA-N 327.428 4.766 5 50 EJBA Cc1ccccc1NC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 4857327 HMOGJBGQBJGDNT-UHFFFAOYSA-N 348.358 4.948 5 50 EJBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)cc(Cl)c1 5041794 PMFFUHRVOACQCV-UHFFFAOYSA-N 326.139 4.546 5 50 EJBA O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 102805 FYQHDHBGADAFGF-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA in-vivo C[C@H](Nc1cc(N2CCCCC2)ccc1[N+](=O)[O-])c1ccccc1 4187852 RKNWSDFREPEKGV-HNNXBMFYSA-N 325.412 4.758 5 50 EJBA OC[C@H]1CCCN(Cc2ccc3ccc4cccc5ccc2c3c45)C1 4988753 JXRUARRADMFWKY-INIZCTEOSA-N 329.443 4.788 5 50 EJBA O=C(/C=C/c1ccccc1Cl)Nc1ccc(Cl)c([N+](=O)[O-])c1 441691 VYDFVNFXWVHPBS-VMPITWQZSA-N 337.162 4.554 5 50 EJBA N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1cccc(Cl)c1 17072473 ADWWIHVMQUUTOX-UHFFFAOYSA-N 348.789 4.971 5 50 EJBA CCCCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 5421561 FUVLSQBTRHGEDT-UHFFFAOYSA-N 332.787 4.843 5 50 EJBA c1ccc(OCCn2c3nc4ccccc4c-3nc3ccccc32)cc1 725343161 WXVUQRHBYJDLFX-UHFFFAOYSA-N 339.398 4.768 5 50 EJBA CCCCN(C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 261493387 ACEFORGIYRDGCF-UHFFFAOYSA-N 328.368 4.538 5 50 EJBA O=C(OC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 466823 ONXIOLLMNBGYGB-UHFFFAOYSA-N 333.343 4.541 5 50 EJBA O=C(CCNc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 2519814 KHWQQCOUBJTDSG-UHFFFAOYSA-N 339.178 4.587 5 50 EJBA Cc1ccc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)cc1[N+](=O)[O-] 181174 RGKMALREZDAGAS-KRWDZBQOSA-N 332.359 4.531 5 50 EJBA aggregator Cc1ccc2oc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c(C)c2c1 5092925 UCIQKCFQPICDBS-UHFFFAOYSA-N 344.754 4.864 5 50 EJBA O=[N+]([O-])c1ccc(Oc2ccccc2Br)c(Cl)c1 21798693 SPIOIIBATZQKAQ-UHFFFAOYSA-N 328.549 4.803 5 50 EJBA in-vitro Cn1c(-c2ccc(C=O)o2)nc2c3ccccc3c3ccccc3c21 348745 CTUAPMXFGSLMCY-UHFFFAOYSA-N 326.355 4.952 5 50 EJBA O=[N+]([O-])c1cccc(-c2noc(-c3ccccc3-c3ccccc3)n2)c1 618391 XDDMLCFKBLDZGM-UHFFFAOYSA-N 343.342 4.979 5 50 EJBA O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-] 4901846 JGOZMLGFWOSRIS-SOFGYWHQSA-N 337.162 4.554 5 50 EJBA Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cccc1[N+](=O)[O-] 379779 DDQLVBZPBPFUPH-UHFFFAOYSA-N 348.358 4.948 5 50 EJBA COc1ccc(SC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 1753328 KZMWXRSLFOOREU-UHFFFAOYSA-N 338.772 4.581 5 50 EJBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1Cl 5005313 XGTZSXJSCLZMGF-FPYGCLRLSA-N 337.162 4.554 5 50 EJBA C[C@@H](c1ccccc1)[C@@H](C)OSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2166272 WVQFLVUVBIPBSO-VXGBXAGGSA-N 348.380 4.719 5 50 EJBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Oc1ccc(F)cc1Cl 4795358 KZIYIQVXZAXKJB-UHFFFAOYSA-N 345.113 4.652 5 50 EJBA CCCCc1ccc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 2979098 RYPNFDONXXGYCP-UHFFFAOYSA-N 342.395 4.588 5 50 EJBA O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1 618260 ZKDDMSDNOPZLGY-UHFFFAOYSA-N 343.342 4.979 5 50 EJBA CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(O)cc1 34577526 ZJZKLBXEGZKOBW-UHFFFAOYSA-N 339.347 4.620 5 50 EJBA in-vitro O=[N+]([O-])c1cc(-c2ccnn2-c2ccccc2)c(Cl)cc1Cl 207518 UCHVMWPWYKBHTL-UHFFFAOYSA-N 334.162 4.754 5 50 EJBA O=C(Nc1cccc([N+](=O)[O-])c1)c1sc2ccccc2c1Cl 41618 QNAOVPRCZMQYST-UHFFFAOYSA-N 332.768 4.715 5 50 EJBA O=[N+]([O-])c1ccc(Cl)c(/C=C/c2ccc3cccc(O)c3n2)c1 4954120 WRFZCPCOOZKXHQ-FNORWQNLSA-N 326.739 4.672 5 50 EJBA COc1cc(F)ccc1NC(=O)c1cc2ccccc2c2cccnc12 225508584 DNRDVZMAHOFSET-UHFFFAOYSA-N 346.361 4.788 5 50 EJBA COc1ccc(COc2ccc3c(c2)oc(=O)c2ccccc23)cc1 403713 PEOPXQPKSGPAES-UHFFFAOYSA-N 332.355 4.534 5 50 EJBA O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1[N+](=O)[O-] 467032 SIBPTDSGNUIVDH-UHFFFAOYSA-N 333.343 4.541 5 50 EJBA COc1ccccc1COc1ccc2c(c1)oc(=O)c1ccccc12 307540 REMPOIUVBLBDMH-UHFFFAOYSA-N 332.355 4.534 5 50 EJBA biogenic O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1 5603935 MRYZPMQLGKMIMW-ZRDIBKRKSA-N 334.331 4.507 5 50 EJBA COc1ccccc1Oc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 45068477 IEHDJLQCMGJDRU-UHFFFAOYSA-N 349.342 4.627 5 50 EJBA Cc1c(OCc2ccc(F)cc2)ccc2c1oc(=O)c1ccccc12 46588 YVMMRHWLGPXUOD-UHFFFAOYSA-N 334.346 4.973 5 50 EJBA O=C(Cc1ccccc1[N+](=O)[O-])NC1CCCCCCCCCCC1 4914075 HETMAHBBKLJSPT-UHFFFAOYSA-N 346.471 4.927 5 50 EJBA Cc1ccc(C(C)C)c(OC(=O)CSc2ccccc2[N+](=O)[O-])c1 75960 KXRQHVZMSOCTPU-UHFFFAOYSA-N 345.420 4.724 5 50 EJBA CCCc1cc(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccn1 210865 HAQGTSPXFXIQER-UHFFFAOYSA-N 325.393 4.733 5 50 EJBA O=[N+]([O-])c1ccc(Sc2cccc3cccnc23)c2ncccc12 202544 BXROCCQPMIIQCW-UHFFFAOYSA-N 333.372 4.842 5 50 EJBA O=C(Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 282607 OZFBOTWQJHHVJB-UHFFFAOYSA-N 345.569 4.807 5 50 EJBA Cc1nc(CSc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cs1 5069410 WIBAAQOJTKOOOX-UHFFFAOYSA-N 349.462 4.776 5 50 EJBA O=C(Oc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1Cl 68120 FLWCPKIKGPAFOI-UHFFFAOYSA-N 327.723 4.621 5 50 EJBA C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1csc(C2CC2)n1 170626284 YBKLORNQOBCDBG-SNVBAGLBSA-N 340.408 4.650 5 50 EJBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)cc2)o1 276712 FIXLGZXGIXSMRW-UHFFFAOYSA-N 342.738 4.761 5 50 EJBA O=[N+]([O-])c1ccccc1C1N(c2ccccc2)CCN1c1ccccc1 125556 KIUZRYJVLYMHQD-UHFFFAOYSA-N 345.402 4.620 5 50 EJBA COC[C@@H](Nc1cccc(Cl)c1[N+](=O)[O-])c1ccc2[nH]ccc2c1 2325828529 JWDHVFVZVVUKPK-MRXNPFEDSA-N 345.786 4.529 5 50 EJBA O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@H]21 245238543 TVPSUVVLKOFAJS-HZPIBMMSSA-N 340.423 4.862 5 50 EJBA Fc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1 295929 OKZWKPDCOFITEH-UHFFFAOYSA-N 327.362 4.925 5 50 EJBA