smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N[C@@H](C(=O)O)[C@@H](C(=O)O)c1ccc([N+](=O)[O-])cc1 71784931 XTVUQRMWMZQWHQ-JGVFFNPUSA-N 254.198 0.175 5 50 CCBA O=C1NCCNc2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 4018203 DURANIMFVQVBFK-UHFFFAOYSA-N 252.186 0.658 5 50 CCBA C[C@H]1CC(=O)NN=C1c1ccc(NCCO)c([N+](=O)[O-])c1 4193622 RCDCUPNJOXNWIQ-QMMMGPOBSA-N 292.295 0.859 5 50 CCBA O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)O)c([N+](=O)[O-])c1 59344333 NHJVRSWLHSJWIN-UHFFFAOYSA-N 293.169 0.658 5 50 CCBA in-vivo COc1cc2nc3nc(O)[nH]c(=O)c3nc2cc1OC 71772170 CSKATYGSXBJRKY-UHFFFAOYSA-N 274.236 0.589 5 50 CCBA Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H](O)[C@@H](CO)O1 16667286 YKYQIOUXQJGQKF-UTUOFQBUSA-N 268.269 0.783 5 50 CCBA CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 120325852 ZUDZIRZCXLGWEQ-UHFFFAOYSA-N 280.328 0.952 5 50 CCBA CNC(=O)NC1CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 253398183 PJJMOJJABSFAHD-UHFFFAOYSA-N 285.691 0.761 5 50 CCBA O=[N+]([O-])c1ccc(OC[C@@H](O)CN2CCOCC2)cc1 19789888 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295.299 0.747 5 50 CCBA C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)Cc2c[nH]nc21 585134382 QFXLKYNAAVXCLY-LURJTMIESA-N 276.256 0.801 5 50 CCBA O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCOCC1 1604727 KKSXPSGNMCINHN-UHFFFAOYSA-N 281.224 0.975 5 50 CCBA O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(O)c1 328106 QZTJWSXHMLZJHC-UHFFFAOYSA-N 263.213 0.531 5 50 CCBA CCC[C@@H](O)[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 596273397 PJHDTZMFYGDEFN-ZYHUDNBSSA-N 297.311 0.628 5 50 CCBA O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC12COC2 597731286 TYYWWPKPFUPLSF-UHFFFAOYSA-N 292.247 0.938 5 50 CCBA O=C(NN1C(=O)CCC1=O)c1cccc([N+](=O)[O-])c1 2881638 OUWJSLOURFVRFL-UHFFFAOYSA-N 263.209 0.389 5 50 CCBA CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3878783 VIIQBVNBFQUOTO-UHFFFAOYSA-N 285.325 0.676 5 50 CCBA O=[N+]([O-])c1cccc(CO/N=c2/ncnc3[nH]onc2-3)c1 36789 MJKNKKDWYCYUEU-UHFFFAOYSA-N 288.223 0.838 5 50 CCBA O=C(O[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] 4813812 CACOTFFIOIQJLP-MRVPVSSYSA-N 285.277 0.939 5 50 CCBA CCOC(=O)CNC(=O)Nc1ncc([N+](=O)[O-])s1 4761518 NWJKFWASOQZFCS-UHFFFAOYSA-N 274.258 0.736 5 50 CCBA CCOC(=O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3136279 YADMCXFUOLWVGR-UHFFFAOYSA-N 297.223 0.796 5 50 CCBA O=[N+]([O-])c1ccc(OC[C@@H](O)CO)c([N+](=O)[O-])c1 3080633 FXCCOPLXPREAQY-ZETCQYMHSA-N 258.186 0.235 5 50 CCBA CCO[C@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 170615000 JRMXBFRWTOHODX-ZJUUUORDSA-N 251.242 0.897 5 50 CCBA O=C(Cn1cc([N+](=O)[O-])cn1)NCCN1CC=CCC1 280362295 YGMGQNMKEWDQPV-UHFFFAOYSA-N 279.300 0.169 5 50 CCBA C[C@@H]1[C@@H](CO)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 424055820 FZVUVDOKBPXEQZ-NXEZZACHSA-N 282.300 0.411 5 50 CCBA COC(=O)C1(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 521396408 VGRGGVQKUQWJND-UHFFFAOYSA-N 294.267 0.255 5 50 CCBA C[C@@H]1NCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C 262787537 QUZCPDMLUMDKAE-VHSXEESVSA-N 299.352 0.966 5 50 CCBA CCOC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1 1595219 FGQTXDKZTAZFRS-UHFFFAOYSA-N 252.226 0.888 5 50 CCBA NS(=O)(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4158823 ZSBMDNNVMUADGF-UHFFFAOYSA-N 287.297 0.079 5 50 CCBA C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)Cc2c[nH]nc21 585134383 QFXLKYNAAVXCLY-ZCFIWIBFSA-N 276.256 0.801 5 50 CCBA CN(C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 4700936 UIYMVJWCFMJTKB-UHFFFAOYSA-N 251.286 0.815 5 50 CCBA O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCCO1 1428152 KQGBSOWZLHWJRB-MRVPVSSYSA-N 254.246 0.087 5 50 CCBA CC(=O)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 1857796569 IPTADXUTBUFBMZ-UWVGGRQHSA-N 277.280 0.722 5 50 CCBA O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc[nH]2)cn1 170620346 LAKGKKXYQRYYLO-UHFFFAOYSA-N 282.281 0.796 5 50 CCBA CS(=O)(=O)c1ccc(CC(=O)O)c([N+](=O)[O-])c1 16125184 XTYIZYUGJXPLRU-UHFFFAOYSA-N 259.239 0.625 5 50 CCBA O=C(Nn1cnnc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1884723 SBEBHSYNBJSEGB-UHFFFAOYSA-N 278.184 0.478 5 50 CCBA O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nccs1 1067331 SOEBLASTXFRRJC-UHFFFAOYSA-N 253.243 0.887 5 50 CCBA O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H](O)[C@H](CO)O2)cc1 4256348 UWSNAJVXFGEVDK-VWYCJHECSA-N 254.242 0.475 5 50 CCBA O=[N+]([O-])c1ccc([S@](=O)N2CCOCC2)cc1 8311879 ZTIYMMCXOQLQED-QGZVFWFLSA-N 256.283 0.950 5 50 CCBA Cc1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)no1 375929 HWTOQRBVSYTBON-UHFFFAOYSA-N 251.202 0.877 5 50 CCBA C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1N 225359087 ZPOCHDJJPYRUTC-GZMMTYOYSA-N 285.325 0.563 5 50 CCBA C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 4984979 HYJCTEWPGQGLRQ-LURJTMIESA-N 274.254 0.346 5 50 CCBA CN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)CC1 59727553 QKTRIGNWBRHBFV-DUXPYHPUSA-N 265.269 0.975 5 50 CCBA in-vitro C[C@@H](C(=O)O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 2454790 XQLVZKDDGLOAII-YFKPBYRVSA-N 264.193 0.664 5 50 CCBA O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCCO 4046656 UXSLLBHVLVVURZ-UHFFFAOYSA-N 266.301 0.409 5 50 CCBA COC(=O)COc1cc(C(=O)OC)ccc1[N+](=O)[O-] 40545847 LSAYBLOZWLGJSQ-UHFFFAOYSA-N 269.209 0.933 5 50 CCBA NC(=O)C[C@@H](NSc1ccccc1[N+](=O)[O-])C(=O)O 19537706 SCYCMFQAMTUOEU-ZCFIWIBFSA-N 285.281 0.520 5 50 CCBA biogenic,in-vitro CS(=O)(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 19787943 IWEOQZSECUTOAL-UHFFFAOYSA-N 299.352 0.672 5 50 CCBA CN(C)[C@@H]1CCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 584906812 IOFBFUUSCIPFOF-VXGBXAGGSA-N 295.343 0.780 5 50 CCBA COc1ccc([N+](=O)[O-])cc1/C=C1/NC(=O)NC1=O 303090 TZVCFZNBOSHPQL-VMPITWQZSA-N 263.209 0.784 5 50 CCBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2 601347181 GXMAJTQZNLEFTM-AOOOYVTPSA-N 297.336 0.720 5 50 CCBA CCC[C@H](O)[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 596273396 PJHDTZMFYGDEFN-PWSUYJOCSA-N 297.311 0.628 5 50 CCBA COC(=O)COc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 4789052 VKSRMFSVFZGLSP-UHFFFAOYSA-N 299.235 0.698 5 50 CCBA Cc1nc(N2CC(N[C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] 952994361 ZWHQBSZIGCVYMC-SNVBAGLBSA-N 278.312 0.865 5 50 CCBA O=[N+]([O-])c1cc(F)ccc1N1CC(O)(c2cnn[nH]2)C1 952993006 LDNPJRFSBWFMLR-UHFFFAOYSA-N 279.231 0.560 5 50 CCBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H]2CNCC[C@@H]21 725274170 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Cn1cc(N2CC[C@H](n3cc([N+](=O)[O-])cn3)C2=O)cn1 170592931 FEEPOTSLFFKEKO-JTQLQIEISA-N 276.256 0.503 5 50 CCBA CN1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 19536375 QJXVCACSGJSKAR-UHFFFAOYSA-N 294.267 0.891 5 50 CCBA O=[N+]([O-])c1ccc(OC[C@H](O)CN2CCOCC2)cc1 19789887 ZBJXESADGOQCJE-GFCCVEGCSA-N 282.296 0.667 5 50 CCBA O=[N+]([O-])c1cc(S(=O)(=O)O)c(Cl)cc1NCCO 4211617 MLZYBPWLQCCERO-UHFFFAOYSA-N 296.688 0.899 5 50 CCBA CC(=O)Nc1ccc(S(=O)(=O)O)cc1[N+](=O)[O-] 4799633 MJFRENRSEBLCIO-UHFFFAOYSA-N 260.227 0.800 5 50 CCBA O=C(C[C@H]1NCCNC1=O)Nc1ccccc1[N+](=O)[O-] 4565448 GBMIVXHBGSJVEX-SECBINFHSA-N 278.268 0.011 5 50 CCBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1n1cnnc1 290334 DWJYZYVVESFQMV-UHFFFAOYSA-N 259.181 0.119 5 50 CCBA N[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 170091488 RRWGRWAISAGVNK-OCAPTIKFSA-N 271.298 0.363 5 50 CCBA O=c1[nH]c2cc(-n3ccnc3)c([N+](=O)[O-])cc2nc1O 14951272 GBWIZNYOJITVFI-UHFFFAOYSA-N 273.208 0.723 5 50 CCBA in-vitro CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 35880352 DIVBSLFLEUQVSP-UHFFFAOYSA-N 285.325 0.531 5 50 CCBA CC1(C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1 212786230 XTLFKBFKRJZSJK-UHFFFAOYSA-N 299.352 0.967 5 50 CCBA O=[N+]([O-])c1nccn1C[C@H](O)CN1CCCCC1 630 WVWOOAYQYLJEFD-SNVBAGLBSA-N 254.290 0.638 5 50 CCBA investigational COCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 2055567 ODTRPJAVGKARTK-UHFFFAOYSA-N 260.271 0.520 5 50 CCBA C[C@@H](CC(=O)O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 6020363 HFCPFJNSBPQJDP-VHSXEESVSA-O 290.336 0.580 5 50 CCBA endogenous,in-man CCN1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 424054481 ACMQUASLFJICQH-SECBINFHSA-N 267.289 0.002 5 50 CCBA O=C(O)C[S@](=O)CC(=O)Nc1cccc([N+](=O)[O-])c1 5714405 YJXZIBCBNSRROQ-IBGZPJMESA-N 286.265 0.367 5 50 CCBA Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](O)C2(C)C)n1 275258982 NYOVKHSWKBLHOE-JGVFFNPUSA-N 268.273 0.218 5 50 CCBA Cn1nnnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 4688971 YLPTYIVKQCDMHE-UHFFFAOYSA-N 294.296 0.849 5 50 CCBA CCN1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 585088125 LESOAFMXRIXXIE-NSHDSACASA-N 295.343 0.734 5 50 CCBA O=C(c1ccc([N+](=O)[O-])cc1)C12CN3CN(CN(C3)C1)C2 19312982 ZDBYQPUKIMCPAB-UHFFFAOYSA-N 288.307 0.583 5 50 CCBA O=C(O)C[S@@](=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1 6863321 YPGCWLWWEWKHIO-LJQANCHMSA-N 286.265 0.367 5 50 CCBA CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])n[nH]1 585134291 LRWMDRKHRWURTP-OCAPTIKFSA-N 265.273 0.237 5 50 CCBA CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2C[N+](=O)[O-] 77291852 QJFHJCOBVKZJKK-SOYHJAILSA-N 289.284 0.660 5 50 CCBA in-vitro C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)N1CCCCC1=O 170088723 QAUGRIQXSLDKQX-MRVPVSSYSA-N 294.315 0.780 5 50 CCBA O=C(O)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2675146 SGRSMHPZWJZEHD-UHFFFAOYSA-N 288.281 0.738 5 50 CCBA CCOC(=O)[C@H](N)Cc1ccc(O)c([N+](=O)[O-])c1 156839 VDFGKWYGLJURQQ-MRVPVSSYSA-N 254.242 0.733 5 50 CCBA Nc1cc(N2CCN(CCO)CC2)ccc1[N+](=O)[O-] 33632748 MAGAFWCADCQCEJ-UHFFFAOYSA-N 266.301 0.291 5 50 CCBA in-vitro Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O 101146866 ZKCLGQZHQXASOJ-BIRIHMBJSA-N 298.295 0.143 5 50 CCBA NC(=O)c1cnn2cc(-c3n[nH]cc3[N+](=O)[O-])cnc12 297454 VNVDLCOVZPSGLR-UHFFFAOYSA-N 273.212 0.127 5 50 CCBA O=C1[C@@H](n2ncc([N+](=O)[O-])n2)CCN1CC(F)(F)F 863374102 KPDPYIXBTHZZNB-YFKPBYRVSA-N 279.178 0.522 5 50 CCBA CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N 3878391 URXUJJOSLVGRKD-ZCFIWIBFSA-N 298.255 0.586 5 50 CCBA CC(=O)N[C@@H](COC(C)=O)C(=O)c1ccc([N+](=O)[O-])cc1 71771034 HRGZUDGIIKHEEX-LBPRGKRZSA-N 294.263 0.845 5 50 CCBA CNS(=O)(=O)c1ccc(N2CC=CC2)c([N+](=O)[O-])c1 408522954 FKKXCLWEIHEBHG-UHFFFAOYSA-N 283.309 0.879 5 50 CCBA CC(C)(CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N 3878392 IBANUEAUISPZCM-UHFFFAOYSA-N 298.255 0.586 5 50 CCBA NC(=O)C[C@@H]1CCCN(c2ccnc([N+](=O)[O-])c2N)C1 225541509 WUGIZKFNQBEJEO-QMMMGPOBSA-N 279.300 0.664 5 50 CCBA CNC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 178951083 HJGDOBVLRGURPE-UHFFFAOYSA-N 299.352 0.967 5 50 CCBA O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CCNC1 133766602 JXMKARBFYHJPAR-VIFPVBQESA-N 285.325 0.483 5 50 CCBA O=C(C[C@H]1NCCNC1=O)Nc1cccc([N+](=O)[O-])c1 4702799 RBOCNWCDURNZFQ-SNVBAGLBSA-N 278.268 0.011 5 50 CCBA CS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCOCC1 95218026 LULWQIMQMAMWPX-UHFFFAOYSA-N 286.309 0.835 5 50 CCBA Cn1c(=O)c(=O)n(C)c2cc([N+](=O)[O-])c(NC3CC3)cc21 4865836 QSGXPOGKNYIORC-UHFFFAOYSA-N 290.279 0.720 5 50 CCBA O=C(c1cccc([N+](=O)[O-])c1)C12CN3CN(CN(C3)C1)C2 95545614 IGZHOJVHMBULCK-UHFFFAOYSA-N 288.307 0.583 5 50 CCBA C[N+]1([C@@H]2CS(=O)(=O)[C@]23C[C@H]2C=C[C@H]3C2)CCOCC1 101093949 VQAUIPWNKHYINQ-FQUUOJAGSA-N 284.401 0.595 5 50 CCBA Nc1ncc(C(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] 521396390 UHGXSMCICJMERE-MRVPVSSYSA-N 266.257 0.481 5 50 CCBA CNC(=O)[C@H](CO)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] 170595671 FMYRSAPPEJXKRJ-JTQLQIEISA-N 281.268 0.316 5 50 CCBA CC(C)[C@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1O)C(N)=O 288019744 SQUORGZLGXFZSN-ZDUSSCGKSA-N 295.295 0.930 5 50 CCBA C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 4517287 PWOCOTZWYFGDMO-CDUCUWFYSA-N 285.212 0.749 5 50 CCBA in-vitro COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])o1 458074 VUSKUMDTTWLJHB-SECBINFHSA-N 281.224 0.989 5 50 CCBA CS(=O)(=O)NCCCNc1ccc([N+](=O)[O-])cc1 4562274 VTLKPKWHXUGHCZ-UHFFFAOYSA-N 273.314 0.946 5 50 CCBA C[C@H](Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-])C(N)=O 4521442 NEPLBHLFDJOJGP-BYPYZUCNSA-N 272.192 0.928 5 50 CCBA in-vitro Cc1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)no1 1068664 ZKCMELXOQNGHCC-UHFFFAOYSA-N 251.202 0.726 5 50 CCBA CCOC(=O)[C@H](NC(C)=O)[C@@H](O)c1ccccc1[N+](=O)[O-] 2907288 FJHHHIKWLAOVQH-NEPJUHHUSA-N 296.279 0.696 5 50 CCBA Cc1cc([N+](=O)[O-])cn(CCCC(=O)N(C)C)c1=O 188112856 YCIYXSLDZMMBLH-UHFFFAOYSA-N 267.285 0.933 5 50 CCBA COc1cc([N+](=O)[O-])cc(C=O)c1OCC(=O)O 2546067 OJPOLKGDNZXQPS-UHFFFAOYSA-N 255.182 0.879 5 50 CCBA CCOC(=O)[C@@H]1[C@H]([N+](C)(C)C)C(C)(C)S1(=O)=O 71785398 CGPVBRCEVBVLIL-IUCAKERBSA-N 264.367 0.200 5 50 CCBA C[C@@H](CCN)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 310725821 BZMKFVNJFSZNAK-QMMMGPOBSA-N 273.314 0.610 5 50 CCBA CS(=O)(=O)N1CC[C@H](Cn2cc([N+](=O)[O-])cn2)C1 408145410 HOKXVFHCIORMKZ-MRVPVSSYSA-N 274.302 0.073 5 50 CCBA CNc1nc(N2CCOCC2)nc(C)c1[N+](=O)[O-] 4426766 VEGGEIQKRJRCSA-UHFFFAOYSA-N 253.262 0.572 5 50 CCBA CCN(CC)CCNc1ncnc(N)c1[N+](=O)[O-] 3912508 LJPULWDQGQAKHF-UHFFFAOYSA-N 254.294 0.721 5 50 CCBA Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](O)C2(C)C)n1 275258985 NYOVKHSWKBLHOE-SFYZADRCSA-N 268.273 0.218 5 50 CCBA NC1=NC(=O)C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)S1 1822229 VNTWMEXDMPXWRG-QMMMGPOBSA-N 294.292 0.880 5 50 CCBA C[C@@H]1CNCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 262756099 IATGDDFSEMBADV-SKDRFNHKSA-N 299.352 0.871 5 50 CCBA Nc1ccc(NC(=O)[C@@H]2CCCC(=O)N2)cc1[N+](=O)[O-] 818027567 ZPWBYJBBBDERIE-VIFPVBQESA-N 278.268 0.784 5 50 CCBA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] 247856390 UKAKOBHHLONQLK-OKDNFBLISA-N 282.296 0.356 5 50 CCBA Cc1c(CC(=O)N[C@@H](C)C(N)=O)cccc1[N+](=O)[O-] 160135368 BIKBVPBNDSWMFS-QMMMGPOBSA-N 265.269 0.436 5 50 CCBA O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOCC1 261493491 CCQPAOWBWFEYOU-UHFFFAOYSA-N 252.226 0.773 5 50 CCBA NC(=O)CC[C@H](N)C(=O)OCc1ccc([N+](=O)[O-])cc1 37245931 GREONXVWZTVIIG-JTQLQIEISA-N 281.268 0.231 5 50 CCBA in-vitro O=C(Cn1cnc([N+](=O)[O-])n1)OCc1ccccc1 113892 NPECHOQHFXRDRD-UHFFFAOYSA-N 262.225 0.930 5 50 CCBA NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5061706 ZMGPYARVASVNAO-UHFFFAOYSA-N 251.242 0.530 5 50 CCBA O=C(Cn1cc([N+](=O)[O-])cn1)NCCO[C@H]1CCCCO1 408517359 CQQQICKWQNREDH-LBPRGKRZSA-N 298.299 0.451 5 50 CCBA CC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 174039 PIVQDUYOEIAFDM-GHMZBOCLSA-N 254.242 0.125 5 50 CCBA biogenic,in-vivo O=[N+]([O-])c1ccc(N[C@@H]2C[C@H](O)[C@H](CO)O2)cc1 4256346 UWSNAJVXFGEVDK-DCAQKATOSA-N 254.242 0.475 5 50 CCBA CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N 3878390 URXUJJOSLVGRKD-LURJTMIESA-N 298.255 0.586 5 50 CCBA NS(=O)(=O)C1CN(c2ccccc2[N+](=O)[O-])C1 413578692 TWAOOMHYINAXBT-UHFFFAOYSA-N 257.271 0.072 5 50 CCBA CC(=O)N[C@@H](CO)C(=O)c1ccc([N+](=O)[O-])cc1 47211 MXTCOGZRSFDQTK-JTQLQIEISA-N 252.226 0.275 5 50 CCBA COC(=O)C(C(=O)OC)c1ccc([N+](=O)[O-])cn1 153469 VTEVSGUDKFSYGJ-UHFFFAOYSA-N 254.198 0.419 5 50 CCBA in-vitro CCN(CCN)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 302417032 LFFSDDRZMVVHKQ-UHFFFAOYSA-N 273.314 0.564 5 50 CCBA Cn1nc([N+](=O)[O-])c([N+](=O)[O-])c1Br 223253687 FPVVGPJNBPYWSI-UHFFFAOYSA-N 250.996 0.999 5 50 CCBA O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)c2nonc12 19707219 WDVCZSSWRMVHAU-UHFFFAOYSA-N 293.283 0.245 5 50 CCBA C[C@](O)(CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 281099 ZKACGJGADUBRSP-JTQLQIEISA-N 259.283 0.847 5 50 CCBA COc1ccc(C(=O)NN2CCOCC2)cc1[N+](=O)[O-] 4749165 QJSBAAJNHYFGSG-UHFFFAOYSA-N 281.268 0.580 5 50 CCBA Cn1c(=O)[nH]c(=O)c2[nH]c(-c3ccccc3[N+](=O)[O-])nc21 170091453 UEIJAJMHXRTEJY-UHFFFAOYSA-N 287.235 0.525 5 50 CCBA O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccco1 1069679 JLXHFPKLQFKZJG-UHFFFAOYSA-N 250.214 0.701 5 50 CCBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H]2CN[C@@H]2C1 725373481 WAYTZOPCMLTROG-NXEZZACHSA-N 297.336 0.577 5 50 CCBA O=C(O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 123592 WBULOUVRHAKHDN-UHFFFAOYSA-N 274.254 0.348 5 50 CCBA Cc1nc(N2CC(NC3COC3)C2)ccc1[N+](=O)[O-] 952878100 YYBWWINTQSJBRF-UHFFFAOYSA-N 264.285 0.475 5 50 CCBA O=C1NC[C@@H](O)CC12CN(c1ccccc1[N+](=O)[O-])C2 952994289 OMKXFWUVWQVRTK-VIFPVBQESA-N 277.280 0.282 5 50 CCBA O=C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCC[C@H]12 888093740 HCIMJBQVDHXZRI-QWRGUYRKSA-N 292.295 0.761 5 50 CCBA CC(C)NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 578753827 HSWLWDVMZGTWIU-UHFFFAOYSA-N 288.281 0.980 5 50 CCBA COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1C 438770 WASJYXIOVVLIDY-UHFFFAOYSA-N 252.226 0.806 5 50 CCBA O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCNC2)cc1 133765750 WEYMZFRQUBCBJB-VIFPVBQESA-N 285.325 0.483 5 50 CCBA CN1CC[C@@](N)(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 591634756 YEOIXJYQUGMHOW-LBPRGKRZSA-N 280.284 0.272 5 50 CCBA CS(=O)(=O)c1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1 4180213 GZNCKEGJECDSPF-UHFFFAOYSA-N 261.215 0.489 5 50 CCBA Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H](O)[C@H](CO)O1 4981803 YKYQIOUXQJGQKF-WOPDTQHZSA-N 268.269 0.783 5 50 CCBA CCOc1cc(N2CCN[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] 356511996 XIUURQUNZLNKNI-SNVBAGLBSA-N 294.311 0.257 5 50 CCBA CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 72408190 YTBRETYBKDSWAR-UHFFFAOYSA-N 274.254 0.274 5 50 CCBA O=C(NN1C[C@@H](C(=O)O)CC1=O)c1ccc([N+](=O)[O-])cc1 40451235 BKYOLTDJWPOLJL-QMMMGPOBSA-N 293.235 0.173 5 50 CCBA Cc1cc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])cc1C 245297684 WLLHTFRIRXXZRS-UMSGYPCISA-N 298.295 0.063 5 50 CCBA biogenic CNC(=O)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CCO1 184073019 BNHUXFMCODIIJH-ZDUSSCGKSA-N 293.323 0.850 5 50 CCBA CN[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 128969517 BTWMOTMWZRGCKW-SECBINFHSA-N 285.325 0.577 5 50 CCBA Cc1nc(N2CCOCC2)nc(-n2cccn2)c1[N+](=O)[O-] 4812297 NXVIMWDSIPVPBE-UHFFFAOYSA-N 290.283 0.716 5 50 CCBA O=[N+]([O-])c1ccc(N2CCOCC2)c(-c2nn[nH]n2)c1 6444521 UPEBQUJJBWYIIY-UHFFFAOYSA-N 276.256 0.612 5 50 CCBA COC(=O)CN1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 301545056 SZRLGHFTJMPGSS-UHFFFAOYSA-N 294.311 0.593 5 50 CCBA O=C1NC[C@H](O)CC12CN(c1ccccc1[N+](=O)[O-])C2 952994288 OMKXFWUVWQVRTK-SECBINFHSA-N 277.280 0.282 5 50 CCBA Cc1ccc([N+](=O)[O-])cc1N[C@@H]1C[C@H](O)[C@H](CO)O1 3897404 XGKMKROZJTWHQZ-SRVKXCTJSA-N 268.269 0.783 5 50 CCBA biogenic NC(=O)C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 4517570 NILMEQUBTVNETI-ZETCQYMHSA-N 298.211 0.244 5 50 CCBA CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 10542926 GEGXGUCRMUOISR-UHFFFAOYSA-N 292.339 0.572 5 50 CCBA NC(=O)[C@@]1(O)CCN(c2cc(F)ccc2[N+](=O)[O-])C1 240540921 GQHNMECYQLBSQE-LLVKDONJSA-N 269.232 0.160 5 50 CCBA O=[N+]([O-])c1cc[n+]([O-])cc1/C=C\N1CCOCC1 33909286 KKNGLZRTKCBOAI-IWQZZHSRSA-N 251.242 0.531 5 50 CCBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3CNC[C@@H]32)cc1 209469482 HKGNJJWUNBFTHY-SKDRFNHKSA-N 297.336 0.577 5 50 CCBA COC[C@@H](C)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 456239 YIWDQIVERNWVKW-MRVPVSSYSA-N 274.298 0.908 5 50 CCBA Cc1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1 101632669 UQLDNZUUGCNIGG-AJSQTZRNSA-N 298.295 0.143 5 50 CCBA CN1C=CC(C(=O)NCC[N+](C)(C)C)=C/C1=C\N=O 137176324 XUAYSZSGAXLHNT-ZRDIBKRKSA-O 265.337 0.802 5 50 CCBA Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O 239439095 ZKCLGQZHQXASOJ-WDAHDJQVSA-N 298.295 0.143 5 50 CCBA CS(=O)(=O)c1ccc(NCC(=O)O)c([N+](=O)[O-])c1 3888839 LKZQHVDISCQPDE-UHFFFAOYSA-N 274.254 0.495 5 50 CCBA O=C1NCC[C@H]1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 408358301 NQMDWUOETOMKLS-SNVBAGLBSA-N 279.300 0.317 5 50 CCBA CC(=O)NCC(=O)OCc1ccc([N+](=O)[O-])cc1 466815 KYPBHINZHLFJMJ-UHFFFAOYSA-N 252.226 0.774 5 50 CCBA CN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 5063784 ZHEAQYWUBKQPIO-UHFFFAOYSA-N 278.312 0.781 5 50 CCBA C[C@H](C(=O)/N=c1\[nH]cn[nH]1)c1ccc([N+](=O)[O-])cc1 5911999 DZZDPZKEIKWDFO-ZETCQYMHSA-N 261.241 0.877 5 50 CCBA Cc1onc(C(=O)O)c1Cn1cc([N+](=O)[O-])cn1 4237687 ISCOXEHSPHPMGP-UHFFFAOYSA-N 252.186 0.834 5 50 CCBA in-vitro Cn1c(=O)c([N+](=O)[O-])c(NCCO)c2ccccc21 4859672 OEQINBIHGMIVIV-UHFFFAOYSA-N 263.253 0.851 5 50 CCBA O=C1CCCN1c1ccc(S(=O)(=O)O)cc1[N+](=O)[O-] 100498265 VANFTXAZIGIWEO-UHFFFAOYSA-N 286.265 0.968 5 50 CCBA O=[N+]([O-])c1nonc1NCn1nnc2ccccc21 5048421 JPPXFJCSHNTBKM-UHFFFAOYSA-N 261.201 0.792 5 50 CCBA Cc1c(N)cc(S(=O)(=O)NC2CC2)cc1[N+](=O)[O-] 4624030 UTZMEQINLZRPMO-UHFFFAOYSA-N 271.298 0.926 5 50 CCBA NC(=O)C1(O)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 241588514 PDUBWYBGGPEEIT-UHFFFAOYSA-N 279.296 0.407 5 50 CCBA CN1C=CC(=CN=O)C=C1C(=O)NCC[N+](C)(C)C 1857525214 MKLJIFWHSKDQSV-UHFFFAOYSA-O 265.337 0.802 5 50 CCBA CC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 3175934 SOPVYCYKWGPONA-JTQLQIEISA-N 252.226 0.727 5 50 CCBA CS(=O)(=O)c1ccc(N2CCNCC2)cc1[N+](=O)[O-] 42684196 PXJCLNPAGNIXTJ-UHFFFAOYSA-N 285.325 0.408 5 50 CCBA in-vitro NCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 2529179 NEIRGPMZEKSCSV-UHFFFAOYSA-N 273.314 0.612 5 50 CCBA C[N+](C)(C)C[C@@H](O)CSc1nnnn1-c1ccccc1 4831608 QWACPSRUKIHJJQ-GFCCVEGCSA-N 294.404 0.822 5 50 CCBA CS(=O)(=O)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O 95217868 RSGVCSRGBJWRPO-UHFFFAOYSA-N 279.295 0.402 5 50 CCBA COC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 40413494 UTMATWZYCCUMAM-UHFFFAOYSA-N 288.281 0.436 5 50 CCBA O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccco1 181496 ZWUUDAVSPPWADR-UHFFFAOYSA-N 251.202 0.096 5 50 CCBA O=C(CSc1ccc([N+](=O)[O-])cn1)N1CCOCC1 2845945 BRVIAGKWHYGVTF-UHFFFAOYSA-N 283.309 0.941 5 50 CCBA COC(=O)c1[nH]c(C)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 170623596 QOZYQUUDAQSXSL-HTRCEHHLSA-N 267.241 0.713 5 50 CCBA O=C(NCCN1CCOCC1)c1ccccc1[N+](=O)[O-] 19805500 SZHWVQCYJDQNFP-UHFFFAOYSA-N 279.296 0.657 5 50 CCBA O=C1[C@H]2[C@@H](O)CCCN2C(=O)N1c1ccc([N+](=O)[O-])cc1 192414833 XNTUHRXBEARONC-WDEREUQCSA-N 291.263 0.887 5 50 CCBA NC1=NC(=O)C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)S1 4681221 SWIODBZZKHTHIJ-QMMMGPOBSA-N 294.292 0.880 5 50 CCBA CS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCCO 95494798 XNIVBUCQZYGBAL-UHFFFAOYSA-N 274.298 0.793 5 50 CCBA O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCCO 3878795 FSZZLFBJCHDNJW-UHFFFAOYSA-N 285.212 0.996 5 50 CCBA CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)NC1=S 4725626 XQSADVAZOQSCQV-DAXSKMNVSA-N 279.277 0.988 5 50 CCBA C[C@@H]1[C@@H](O)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 395044739 UPEDFKWSQBYIMD-SCZZXKLOSA-N 268.273 0.163 5 50 CCBA O=C(NCCNc1cnc([N+](=O)[O-])c(O)c1)C1CC1 1616037608 NIZOSHGSLDPEOA-UHFFFAOYSA-N 266.257 0.634 5 50 CCBA C[C@@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4955685 ZVYGJWZRLBIBOP-SSDOTTSWSA-N 260.271 0.254 5 50 CCBA O=C(NCC1CCC2(CC1)OCCO2)[C@H]1C[C@@H]1[N+](=O)[O-] 170650260 FOARQHNFVUEODM-QWRGUYRKSA-N 284.312 0.701 5 50 CCBA O=C(NCCN1CCNCC1)c1cccc([N+](=O)[O-])c1 8378493 JDCLLULVOYMJML-UHFFFAOYSA-N 278.312 0.230 5 50 CCBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1c[nH]c(=O)[nH]c1=O 470134 UGYROFUWSPCOFK-UHFFFAOYSA-N 290.235 0.153 5 50 CCBA CN(C[C@H]1CCCN1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 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N=c1nc([C@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)[nH][nH]1 585092546 DHPKGRGQKGOWPY-QMMMGPOBSA-N 289.299 0.904 5 50 CCBA CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 460301 DHDSYGFRCZZSEU-UHFFFAOYSA-N 287.297 0.107 5 50 CCBA NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 131700372 KIJNMJJLIBQDBY-VIFPVBQESA-N 285.325 0.707 5 50 CCBA CC(C)(O)C(C)(C)OB(O)c1ccc([N+](=O)[O-])cc1 169835322 FFYAIEQPKTXESJ-UHFFFAOYSA-N 267.090 0.848 5 50 CCBA C[C@H]1[C@@H](CO)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 424055822 FZVUVDOKBPXEQZ-VHSXEESVSA-N 282.300 0.411 5 50 CCBA Nc1nc(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 5045636 BMDISNAOAJURMB-UHFFFAOYSA-N 283.269 0.269 5 50 CCBA CNC(=O)NC1CN(c2ccc(F)cc2[N+](=O)[O-])C1 253398088 KZROLJMFRXIYRL-UHFFFAOYSA-N 268.248 0.852 5 50 CCBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H](O)CN1 35231996 IZEBIZBBOZJDHO-ZJUUUORDSA-N 251.242 0.256 5 50 CCBA COC(=O)c1ccc(NCC(=O)O)c([N+](=O)[O-])c1 1775937575 NJWKIKSOYMANOK-UHFFFAOYSA-N 254.198 0.878 5 50 CCBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 3901352 RAXMLADXHCSONC-UHFFFAOYSA-N 286.309 0.924 5 50 CCBA CN1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 5063959 KLWNHEVOODPTHX-UHFFFAOYSA-N 278.312 0.781 5 50 CCBA O=C1[C@@H]2[C@@H](O)CCCN2C(=O)N1c1ccc([N+](=O)[O-])cc1 192414829 XNTUHRXBEARONC-QWRGUYRKSA-N 291.263 0.887 5 50 CCBA CC1(C)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)N1 585086016 JGZZMGOTDMKXKK-UHFFFAOYSA-N 295.343 0.780 5 50 CCBA O=C(O)c1cc([N+](=O)[O-])cc(C(=O)O)c1C(=O)O 2513008 KIRNHRJGEAFKPM-UHFFFAOYSA-N 255.138 0.689 5 50 CCBA in-vitro O=[N+]([O-])c1ccccc1N1CC(O)(c2cnn[nH]2)C1 1775984978 VCLLNJQWUIMCTN-UHFFFAOYSA-N 261.241 0.421 5 50 CCBA O=[N+]([O-])c1ccc(CN2CCN(CCO)CC2)cc1 95626626 JEJMPSCCDHCPIT-UHFFFAOYSA-N 265.313 0.705 5 50 CCBA O=[N+]([O-])c1cccc(S(=O)(=O)Nn2cnnc2)c1 5060418 YOSOVWBIYRLESO-UHFFFAOYSA-N 269.242 0.119 5 50 CCBA COc1ccccc1Oc1nc([N+](=O)[O-])nn1CC(N)=O 1063770 SOJDPCBGJCYKCJ-UHFFFAOYSA-N 293.239 0.473 5 50 CCBA C[C@@H]1[C@@H](N(C)C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 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262787539 QUZCPDMLUMDKAE-ZJUUUORDSA-N 299.352 0.966 5 50 CCBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CCO)CC1 19805482 UJNCXOXNSHNUGX-UHFFFAOYSA-N 279.296 0.345 5 50 CCBA O=S1(=O)CC[N+]2(CC1)C[C@H]1CC[C@H]2[C@@H](CO)C1 1615055015 GBEFVEFYFHUSHF-TUAOUCFPSA-N 260.379 0.022 5 50 CCBA O=[N+]([O-])c1ccc(-n2cccn2)c(-c2nnn[nH]2)c1 13118644 TTXMHOWZNPDSJM-UHFFFAOYSA-N 257.213 0.961 5 50 CCBA CC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 174037 PIVQDUYOEIAFDM-WDEREUQCSA-N 254.242 0.125 5 50 CCBA biogenic COc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] 16092090 FTUMQRKEMKZWOH-UHFFFAOYSA-N 260.271 0.854 5 50 CCBA CCn1nnc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 557396 DUDGTHUHMHRQLF-UHFFFAOYSA-N 292.255 0.862 5 50 CCBA NCCN1CCN(c2ccc([N+](=O)[O-])c3nonc23)CC1 86000382 NVZUWOYZGHZCGG-UHFFFAOYSA-N 292.299 0.212 5 50 CCBA O=C(CN1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 19285982 OAALILYXVYVIOP-UHFFFAOYSA-N 265.269 0.866 5 50 CCBA O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN[C@H](CO)C1 952883643 OLFSHALAYJJZMT-JTQLQIEISA-N 280.284 0.393 5 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IEMQUGWQVRWORL-LURJTMIESA-N 268.200 0.521 5 50 CCBA O=S1(=O)CC[N+]2(CCC=C(Br)C2)CC1 1776005945 QXPZEMUQLRLSRV-UHFFFAOYSA-N 281.195 0.914 5 50 CCBA NC(=O)[C@]1(O)CCN(c2cc(F)ccc2[N+](=O)[O-])C1 240540922 GQHNMECYQLBSQE-NSHDSACASA-N 269.232 0.160 5 50 CCBA C[C@@H]1[C@H](N(C)C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 408518499 KWPJKTSUZCTBTJ-MWLCHTKSSA-N 281.316 0.342 5 50 CCBA CC(C)(O)C(C)(C)OB(O)c1ccc([N+](=O)[O-])cc1F 200321412 QVYPTKSUXFBYKL-UHFFFAOYSA-N 285.080 0.988 5 50 CCBA CC(C)N(C(=O)Cn1cc([N+](=O)[O-])cn1)C1COC1 295799075 RRLGGCJSSKGVFJ-UHFFFAOYSA-N 268.273 0.427 5 50 CCBA O=C(C[C@@H]1NC(=O)NC1=O)Nc1ccc([N+](=O)[O-])cc1 5065073 PGJVXGJGJUSFQL-QMMMGPOBSA-N 278.224 0.131 5 50 CCBA NC(=O)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 453141 SNVOULZUENOXJN-UHFFFAOYSA-N 291.307 0.861 5 50 CCBA O=C(N[C@@H]1CCCC[C@H]1CO)c1n[nH]cc1[N+](=O)[O-] 170070425 KPVSLTSXRQUDDI-JGVFFNPUSA-N 268.273 0.599 5 50 CCBA Cc1nc(N2CC(N[C@H]3CCOC3)C2)ccc1[N+](=O)[O-] 952994360 ZWHQBSZIGCVYMC-JTQLQIEISA-N 278.312 0.865 5 50 CCBA O=C(Cn1cnc([N+](=O)[O-])n1)N1CCc2ccccc2C1 275904 WZLPFDQQFLAJME-UHFFFAOYSA-N 287.279 0.771 5 50 CCBA O=[N+]([O-])c1nn(-c2cccc(Cl)c2)[n+]([O-])c1NCCO 4828946 WDCURIXCTHCVNW-UHFFFAOYSA-N 299.674 0.472 5 50 CCBA C[C@@H](C(=O)NN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 471721 RZYPPXGMSWLDQG-LLVKDONJSA-N 292.339 0.977 5 50 CCBA O=C(N[C@H]1C=CS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 1155105 VTXDPLCUALWTLT-VIFPVBQESA-N 282.277 0.635 5 50 CCBA O=C(NCCN1CCOC1=O)c1ccc([N+](=O)[O-])cc1 438483 SNOZVCULBSHSDB-UHFFFAOYSA-N 279.252 0.777 5 50 CCBA COC[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 455809 HVYCSFINUTUHOA-QMMMGPOBSA-N 274.298 0.908 5 50 CCBA Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@@H]1O 1233816 ZKCLGQZHQXASOJ-DNJOBQDOSA-N 298.295 0.143 5 50 CCBA NC(=O)C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 4517572 NILMEQUBTVNETI-SSDOTTSWSA-N 298.211 0.244 5 50 CCBA C[C@H]1CNCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 262756092 IATGDDFSEMBADV-CABZTGNLSA-N 299.352 0.871 5 50 CCBA NC(=O)CSCC(=O)Nc1cccc([N+](=O)[O-])c1 2506193 FVYJQJLKVFLEPO-UHFFFAOYSA-N 269.282 0.752 5 50 CCBA C[C@@H]1[C@H](CO)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 424055823 FZVUVDOKBPXEQZ-ZJUUUORDSA-N 282.300 0.411 5 50 CCBA CNC(=O)[C@@H](CO)Nc1ncc([N+](=O)[O-])cc1Cl 170079944 GMQGNJDVYHICJQ-SSDOTTSWSA-N 274.664 0.162 5 50 CCBA Cc1ccnc(N2CCN[C@@H](CO)C2)c1[N+](=O)[O-] 952993423 HBSNOHWZSKMEDY-SECBINFHSA-N 252.274 0.069 5 50 CCBA C[C@@H](CN)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 170615007 VLCLTHCBICLTDJ-QMMMGPOBSA-N 273.314 0.468 5 50 CCBA NC(=O)COc1cc(=O)oc2ccc([N+](=O)[O-])cc12 185103 YTJOUIJYWZTSPV-UHFFFAOYSA-N 264.193 0.565 5 50 CCBA CCn1c(=N)c(C(=O)OC)cc2c(=O)n3ccccc3nc21 100627698 PCLFWMZRUWFRBG-UHFFFAOYSA-N 298.302 0.935 5 50 CCBA aggregator,biogenic COc1n[nH]c(C(=O)NCc2ccncc2)c1[N+](=O)[O-] 371402 WGBNCTLGFFZGPZ-UHFFFAOYSA-N 277.240 0.652 5 50 CCBA O=C1[C@H]2C[C@H]3[C@H]4[C@H]5[C@@H]([C@H]1C[C@H]5C3([N+](=O)[O-])[N+](=O)[O-])[C@H]24 257358628 VMTYGGVTYYDSRE-MLXHAUAKSA-N 264.237 0.583 5 50 CCBA 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NC(=O)CSCC(=O)Nc1ccccc1[N+](=O)[O-] 4517848 KNAILUPUUHNUCD-UHFFFAOYSA-N 269.282 0.752 5 50 CCBA Cc1cc(N2CC[C@@](O)(C(N)=O)C2)ccc1[N+](=O)[O-] 170606537 DCWKGNBTGQAOLN-LBPRGKRZSA-N 265.269 0.330 5 50 CCBA Cc1cc(C(=O)NN2CCOCC2)ccc1[N+](=O)[O-] 437245 OPCUXKXLFXTMKT-UHFFFAOYSA-N 265.269 0.880 5 50 CCBA COCCNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 2886417 NSYOFTRMOOWRIU-UHFFFAOYSA-N 283.309 0.846 5 50 CCBA O=C1NCC[C@@H]1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 408358300 NQMDWUOETOMKLS-JTQLQIEISA-N 279.300 0.317 5 50 CCBA CCOC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 5458603 IUFNZEBZYYCLOL-UHFFFAOYSA-N 282.252 0.896 5 50 CCBA biogenic,in-vitro CN(Cc1ccc([N+](=O)[O-])cc1)C1CS(=O)(=O)C1 585133903 ZIQZDMPBFYEIEA-UHFFFAOYSA-N 270.310 0.824 5 50 CCBA NC(=O)CCN(C(=O)C1CC1)c1ncc([N+](=O)[O-])s1 71771565 ODSIVSVNJYKYKR-UHFFFAOYSA-N 284.297 0.670 5 50 CCBA COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 3159775 FXFBYZUADRYZQT-UHFFFAOYSA-N 270.266 0.959 5 50 CCBA O=[N+]([O-])c1cncc(Br)c1NC[C@@H](O)CO 133455383 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0.481 5 50 CCBA Nc1nonc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 4183466 LRCLEXYCDDVRIB-UHFFFAOYSA-N 292.255 0.402 5 50 CCBA O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 4071101 UQCGCRFQAPOVEU-VIFPVBQESA-N 284.293 0.512 5 50 CCBA CC(C)(CO)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 192462 LCHSCCLGDKYESA-UHFFFAOYSA-N 274.298 0.644 5 50 CCBA O=C(N[C@@H]1CCCC[C@@H]1CO)c1n[nH]cc1[N+](=O)[O-] 170070419 KPVSLTSXRQUDDI-HTQZYQBOSA-N 268.273 0.599 5 50 CCBA CCOC(=O)C(C)(C)N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 351945164 YKHQXOTVRIQQPV-UHFFFAOYSA-N 298.299 0.591 5 50 CCBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCOC1 253426935 BZMUKWYBBPPOIX-UHFFFAOYSA-N 272.282 0.963 5 50 CCBA O=C(NCC1(O)CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] 170631680 WNVSLSDNEKURDJ-NXEZZACHSA-N 256.302 0.853 5 50 CCBA CC[C@@H]1C(=O)N(C)CCN1c1ncc([N+](=O)[O-])cn1 585098793 BEUQBEOMKLFSCI-SECBINFHSA-N 265.273 0.442 5 50 CCBA C[C@@H]1OCC[C@@]1(C)NC(=O)c1c([N+](=O)[O-])cnn1C 408190057 ZNQXUBDWAWMKRE-WRWORJQWSA-N 268.273 0.626 5 50 CCBA 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O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccccc1 196081 UDRJLOXZZHKSFX-UHFFFAOYSA-N 261.241 0.503 5 50 CCBA CS(=O)(=O)c1cc([N+](=O)[O-])c(NC#N)c([N+](=O)[O-])c1 19899271 HZNIXFLSMUDBNL-UHFFFAOYSA-N 286.225 0.799 5 50 CCBA O=c1c([N+](=O)[O-])cccn1Cc1nnnn1-c1ccccc1 225529389 XCXTXMDSHRQCRK-UHFFFAOYSA-N 298.262 0.781 5 50 CCBA C[C@H]1[C@H](N(C)C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 408518497 KWPJKTSUZCTBTJ-GXSJLCMTSA-N 281.316 0.342 5 50 CCBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2CNCC[C@H]21 725274169 DUUIXIHKLMAEGX-VHSXEESVSA-N 297.336 0.577 5 50 CCBA C[C@H](C(=O)O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 2454791 XQLVZKDDGLOAII-RXMQYKEDSA-N 264.193 0.664 5 50 CCBA C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@@]2(CCOC2)O1 280287138 QEGARBUKVKZGBY-JOYOIKCWSA-N 282.300 0.713 5 50 CCBA Cc1cc([N+](=O)[O-])cn(CCCN2CCN(C)CC2)c1=O 131089461 AOWTZEDKPVTAPF-UHFFFAOYSA-N 294.355 0.702 5 50 CCBA Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccco1 311302 SNODSOQSDNJSIN-UHFFFAOYSA-N 250.214 0.851 5 50 CCBA O=C(COc1ccc([N+](=O)[O-])cc1)N1CCOCC1 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COCC1=NN(c2ccc([N+](=O)[O-])cn2)C(=O)C1 536948678 QKGSRCQUGZRPGX-UHFFFAOYSA-N 250.214 0.729 5 50 CCBA O=C1CCC(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5749645 KIJSMTYHXCSAJM-UHFFFAOYSA-N 280.196 0.979 5 50 CCBA COCCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 2824737 MMSKFRRHSWFPRR-UHFFFAOYSA-N 284.268 0.988 5 50 CCBA CN1C(=O)[C@](O)(N2CCOCC2)c2cc([N+](=O)[O-])ccc21 4427298 IWWASSCFQIDPRP-ZDUSSCGKSA-N 293.279 0.049 5 50 CCBA O=c1nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)[nH][nH]1 225815145 OYACZQRABJNCGT-MRVPVSSYSA-N 290.283 0.785 5 50 CCBA CN(C)[C@@H]1CCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 577570400 WNXMCNVUBLVENU-GHMZBOCLSA-N 281.316 0.390 5 50 CCBA CCN1CCN(c2ncnc(N)c2[N+](=O)[O-])CC1 5064089 YQHKSMAKPWMDAD-UHFFFAOYSA-N 252.278 0.109 5 50 CCBA C[C@@H](CN)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 447241611 BHLLQOUAQSYWCY-QMMMGPOBSA-N 273.314 0.468 5 50 CCBA O=[N+]([O-])c1ccc(N2CCN[C@@H](CO)C2)c([N+](=O)[O-])c1 952991725 DNHRVJNFKQGBDO-MRVPVSSYSA-N 282.256 0.274 5 50 CCBA CC(C)[C@H]1CN(C)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 408072534 NLLREEWQOABLML-SNVBAGLBSA-N 281.316 0.730 5 50 CCBA O=C(O)C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 4517575 VPBRVQFBZHIBPS-SSDOTTSWSA-N 299.195 0.843 5 50 CCBA O=C(Cn1ccc([N+](=O)[O-])n1)N1CCc2cccnc21 1458421126 IMCLGFCTKOMTDI-UHFFFAOYSA-N 273.252 0.776 5 50 CCBA C[C@H]1OC(=O)N[C@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] 496791290 NCOVTTZUKXGFTK-LHLIQPBNSA-N 296.235 0.841 5 50 CCBA C[C@H](C(=O)NN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 4700011 RZYPPXGMSWLDQG-NSHDSACASA-N 292.339 0.977 5 50 CCBA CS(=O)(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 6250463 YSUQVTKIDPKBKZ-UHFFFAOYSA-N 286.309 0.835 5 50 CCBA O=C(O)C[S@](=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1 5715365 YPGCWLWWEWKHIO-IBGZPJMESA-N 286.265 0.367 5 50 CCBA Cc1ccc(S(=O)(=O)n2cnc([N+](=O)[O-])n2)cc1 56586 ZQMJAWSQRGYFBM-UHFFFAOYSA-N 268.254 0.732 5 50 CCBA in-vitro CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)CC1=O 6843503 XJRIPOSNFNKUIP-UHFFFAOYSA-N 277.236 0.903 5 50 CCBA CNC(=O)[C@@H](C)CN(C)c1ccnc(F)c1[N+](=O)[O-] 585118441 OWEFDFDWKRTEBC-ZETCQYMHSA-N 270.264 0.947 5 50 CCBA Cc1ccnc(N2CCN[C@H](CO)C2)c1[N+](=O)[O-] 952993424 HBSNOHWZSKMEDY-VIFPVBQESA-N 252.274 0.069 5 50 CCBA CN1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 13672206 YYDYVOPPDAXYGQ-UHFFFAOYSA-N 292.339 0.572 5 50 CCBA COC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 284778 JVTVNDZNTWPWBK-UHFFFAOYSA-N 268.225 0.506 5 50 CCBA CC[C@H](CO)N1C[C@@]2([N+](=O)[O-])C=CC[C@@]([N+](=O)[O-])(C1)C2 36026115 FQRLCQWJNNNAFT-UTUOFQBUSA-N 285.300 0.454 5 50 CCBA O=[N+]([O-])c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 59406787 QPBYSMISNMBHLE-UHFFFAOYSA-N 290.272 0.755 5 50 CCBA COC(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC 37226398 XINSZEQRFPEALJ-UHFFFAOYSA-N 269.209 0.968 5 50 CCBA CN1CC[C@](N)(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 591634755 YEOIXJYQUGMHOW-GFCCVEGCSA-N 280.284 0.272 5 50 CCBA CC[C@@H](CO)N1C[C@@]2([N+](=O)[O-])C=CC[C@@]([N+](=O)[O-])(C1)C2 36026113 FQRLCQWJNNNAFT-TUAOUCFPSA-N 285.300 0.454 5 50 CCBA 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O=[N+]([O-])[C@@H]1[C@H]2[C@H]3[C@H]4[C@H]1[C@@H]1[C@@H]2[C@H]2[C@H]3[C@H]4[C@H]1C2([N+](=O)[O-])[N+](=O)[O-] 257357895 QQZZAEUTAHWLPL-MIHYCGBDSA-N 293.235 0.125 5 50 CCBA COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C 58312977 DWHVEQLUHJWBQI-UHFFFAOYSA-N 260.271 0.854 5 50 CCBA in-vitro C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@]2(CCOC2)O1 280287145 QEGARBUKVKZGBY-SKDRFNHKSA-N 282.300 0.713 5 50 CCBA O=C(Cn1cc([N+](=O)[O-])cn1)NCc1cccnc1 4707231 AZVWAJUVJFJDMK-UHFFFAOYSA-N 261.241 0.503 5 50 CCBA NC(=O)c1ccnc(NCC[C@@]2(O)CCOC2)c1[N+](=O)[O-] 593494838 ABRWZLDVGQAFBW-GFCCVEGCSA-N 296.283 0.042 5 50 CCBA CCN(CCN)S(=O)(=O)c1ccccc1[N+](=O)[O-] 305921642 BUGUOXIEWYYFIL-UHFFFAOYSA-N 273.314 0.564 5 50 CCBA CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 35880354 RBFCSRBPYODCFY-UHFFFAOYSA-N 299.352 0.921 5 50 CCBA C[C@H]1CNCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 262756096 IATGDDFSEMBADV-JOYOIKCWSA-N 299.352 0.871 5 50 CCBA O=C1[C@H]2[C@H](O)CCCN2C(=O)N1c1ccc([N+](=O)[O-])cc1 192414828 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Cc1cc(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])cc1C 245297685 WLLHTFRIRXXZRS-WUHRBBMRSA-N 298.295 0.063 5 50 CCBA biogenic CC[C@@H]1[C@H](CO)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 331342678 YVKLMHZPUUZLKQ-GXSJLCMTSA-N 282.300 0.411 5 50 CCBA COC(=O)C(=O)CC(=O)c1ccc([N+](=O)[O-])cc1 100177490 WKRICHRWYJZLCY-UHFFFAOYSA-N 251.194 0.910 5 50 CCBA C[C@H]1OC(=O)N[C@@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] 496791289 NCOVTTZUKXGFTK-LDWIPMOCSA-N 296.235 0.841 5 50 CCBA CN(CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21)[N+](=O)[O-] 4380282 ROSQORRYEDKGNQ-UHFFFAOYSA-N 280.196 0.205 5 50 CCBA O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nccs1 1070348 ZKSAJSNOEBPEEE-UHFFFAOYSA-N 253.243 0.887 5 50 CCBA COC(=O)CNC(=O)Cc1ccccc1[N+](=O)[O-] 445552 RBXAWSIVJPKHKF-UHFFFAOYSA-N 252.226 0.427 5 50 CCBA Cc1nn(C)c(NCCNc2ccn(C)n2)c1[N+](=O)[O-] 225648805 CTGRQPNDWFUEHP-UHFFFAOYSA-N 279.304 0.894 5 50 CCBA CN(C)c1ccc2nc3c(=O)[nH]c(O)nc3nc2c1 503399 DMGMZFIMPVVIDL-UHFFFAOYSA-N 257.253 0.638 5 50 CCBA C[C@H](C(=O)NC[C@H]1CCCO1)n1cc([N+](=O)[O-])cn1 1068997 CLPFGJUEERUWJN-PSASIEDQSA-N 268.273 0.648 5 50 CCBA O=[N+]([O-])c1ccc(N2CCNCC2)c([N+](=O)[O-])c1 8418168 NHIZXWJIYCQIRS-UHFFFAOYSA-N 252.230 0.913 5 50 CCBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2CNCC[C@@H]21 725274168 DUUIXIHKLMAEGX-UWVGGRQHSA-N 297.336 0.577 5 50 CCBA O=C1[C@@H](n2cc([N+](=O)[O-])cn2)CCN1C1CCOCC1 408146256 NUVLPJDLZIQFPK-NSHDSACASA-N 280.284 0.744 5 50 CCBA CN1CCC[C@@H](CCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 408519988 CWILOKXWJHCJGQ-NSHDSACASA-N 295.343 0.639 5 50 CCBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2CN[C@@H]2C1 725373483 WAYTZOPCMLTROG-VHSXEESVSA-N 297.336 0.577 5 50 CCBA CS(=O)(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 19787866 FLAHZAYDXMHGPO-UHFFFAOYSA-N 299.352 0.672 5 50 CCBA O=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1508346 IYUGAIHDSMCVCC-UHFFFAOYSA-N 250.166 0.275 5 50 CCBA in-vitro NC(=O)c1ccc(SCC(=O)O)c([N+](=O)[O-])c1 78096 YIJOHDDGBAUSSL-UHFFFAOYSA-N 256.239 0.870 5 50 CCBA O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCCO1 4698333 KQGBSOWZLHWJRB-QMMMGPOBSA-N 254.246 0.087 5 50 CCBA O=S1(=O)CC[N+]2(CC1)C[C@H]1CC[C@H]2[C@H](CO)C1 1615055014 GBEFVEFYFHUSHF-SRVKXCTJSA-N 260.379 0.022 5 50 CCBA Cc1ccc(S(=O)(=O)NCC(=O)O)cc1[N+](=O)[O-] 4993719 DKXFVFHOSYICDW-UHFFFAOYSA-N 274.254 0.266 5 50 CCBA O=C(N[C@H]1CCCC[C@H]1CO)c1n[nH]cc1[N+](=O)[O-] 170070427 KPVSLTSXRQUDDI-YUMQZZPRSA-N 268.273 0.599 5 50 CCBA COC(=O)c1ccc([N+](=O)[O-])c(NCC2=NOCC2)n1 1775994977 YKRSBKRCFJILHW-UHFFFAOYSA-N 280.240 0.965 5 50 CCBA Cc1cccc(C(=O)NCCN2CCOCC2)c1[N+](=O)[O-] 20169613 XLUZSYNJCSCOOD-UHFFFAOYSA-N 293.323 0.965 5 50 CCBA O=C1[C@H]2C[C@H]3[C@@H]4[C@H]5[C@@H]([C@H]1C[C@H]5C3([N+](=O)[O-])[N+](=O)[O-])[C@H]24 257358629 VMTYGGVTYYDSRE-PLHDQFAPSA-N 264.237 0.583 5 50 CCBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2CN[C@H]2C1 725373482 WAYTZOPCMLTROG-UWVGGRQHSA-N 297.336 0.577 5 50 CCBA O=[N+]([O-])c1ccc(NCCn2ncnn2)c(F)c1 352051228 AOUWTGOHHGCENV-UHFFFAOYSA-N 252.209 0.833 5 50 CCBA C[C@@H](O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1225893 KIRYIGBGISXGAX-SSDOTTSWSA-N 260.271 0.254 5 50 CCBA COCCN1CN(c2ccccc2[N+](=O)[O-])CC1=O 253398454 VVHHRSNNVFKSES-UHFFFAOYSA-N 265.269 0.847 5 50 CCBA CS(=O)(=O)N(c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 35587991 ZLKTWFXITGZKLW-UHFFFAOYSA-N 294.310 0.320 5 50 CCBA NNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3885849 JCIYPXNOFMKDLV-UHFFFAOYSA-N 251.651 0.400 5 50 CCBA Cc1ccc(C(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 20146264 SYAXEJKLYALVLS-UHFFFAOYSA-N 293.323 0.965 5 50 CCBA CC[C@H]1C(=O)N(C)CCN1c1ncc([N+](=O)[O-])cn1 585098794 BEUQBEOMKLFSCI-VIFPVBQESA-N 265.273 0.442 5 50 CCBA CC1=CCN(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 355314823 JMHKNIOMZVBVDK-UHFFFAOYSA-N 293.327 0.560 5 50 CCBA Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O 245380177 SMOCAIOGNVIDED-WDAHDJQVSA-N 298.295 0.143 5 50 CCBA O=[N+]([O-])[C@@H]1[C@H]2[C@H]3[C@H]4[C@H]1[C@@H]1[C@@H]2[C@H]2[C@H]3[C@@H]4[C@H]1C2([N+](=O)[O-])[N+](=O)[O-] 257357897 QQZZAEUTAHWLPL-QVKUEXJPSA-N 293.235 0.125 5 50 CCBA Cc1cc(N2CCN[C@H](CO)C2)ncc1[N+](=O)[O-] 952883201 RZTFRTGLWLEVNC-VIFPVBQESA-N 252.274 0.069 5 50 CCBA O=C1NC[C@@H](O)CC12CN(c1ccc(F)cc1[N+](=O)[O-])C2 952992833 DGPYMUKOWBIWMQ-VIFPVBQESA-N 295.270 0.421 5 50 CCBA COCCNC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 4359334 FOKDQRCREUEZNM-UHFFFAOYSA-N 285.281 0.280 5 50 CCBA CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc([N+](=O)[O-])cc1)NN2C 101129271 GTXWHSJHZYYLNH-VWYCJHECSA-N 290.279 0.069 5 50 CCBA CNc1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] 4773212 OHESFZVCNWZCND-UHFFFAOYSA-N 275.242 0.948 5 50 CCBA C[C@H]1NCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C 262787532 QUZCPDMLUMDKAE-NXEZZACHSA-N 299.352 0.966 5 50 CCBA Cc1ccc([N+](=O)[O-])cc1N[C@@H]1C[C@@H](O)[C@@H](CO)O1 13155076 XGKMKROZJTWHQZ-UTUOFQBUSA-N 268.269 0.783 5 50 CCBA biogenic Cc1ccc([N+](=O)[O-])cc1N[C@@H]1C[C@@H](O)[C@H](CO)O1 236582 XGKMKROZJTWHQZ-WOPDTQHZSA-N 268.269 0.783 5 50 CCBA biogenic Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C(N)=O 170071936 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O=C(O)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4517281 SBQZBOCQYMVLTC-SSDOTTSWSA-N 271.185 0.360 5 50 CCBA in-vitro C[C@@H](CN)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 111303469 SYOCCYWFRADXFP-ZETCQYMHSA-N 259.287 0.220 5 50 CCBA CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 35989414 WXLNVAHDEMUAMA-UHFFFAOYSA-N 285.325 0.531 5 50 CCBA in-vitro CC(=O)Nc1cc(S(=O)(=O)O)cc([N+](=O)[O-])c1O 2562576 LGRLLEACBHQPTE-UHFFFAOYSA-N 276.226 0.506 5 50 CCBA O=[N+]([O-])c1cc[n+]([O-])c(-c2cc([N+](=O)[O-])cc[n+]2[O-])c1 4101062 QVRTYCMSRZUOJO-UHFFFAOYSA-N 278.180 0.437 5 50 CCBA Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 388516513 IQIZROWGKMVKTN-SRQGCSHVSA-N 264.285 0.534 5 50 CCBA N[C@H]1[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]12 252587064 VKVGZJQAEPTXEQ-URLYPYJESA-N 283.309 0.172 5 50 CCBA CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(OC)OC 408515220 IPSNJPGETSLWND-SECBINFHSA-N 286.288 0.305 5 50 CCBA O=C(O)Cn1nc(-c2ccc([N+](=O)[O-])o2)sc1=O 71772851 IJSLHHIMHMZBOA-UHFFFAOYSA-N 271.210 0.558 5 50 CCBA CN(CCCN)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 133768160 MJOCFIMEDMFRGX-UHFFFAOYSA-N 273.314 0.564 5 50 CCBA COC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCO1 408521140 JRIZFZACEYFKRR-VIFPVBQESA-N 271.248 0.981 5 50 CCBA Cc1cc([N+](=O)[O-])c(N2CCN(CCO)CC2)cc1N 19955611 KMZBPXCAVUVGTM-UHFFFAOYSA-N 280.328 0.600 5 50 CCBA Cc1ccnc(N2CC(OCCO)C2)c1[N+](=O)[O-] 952963885 MZPVBANXCSGSPM-UHFFFAOYSA-N 253.258 0.496 5 50 CCBA COc1ccc(Cn2ccc(=O)[nH]c2=O)cc1[N+](=O)[O-] 205982 XSOSOSFPAWZWJP-UHFFFAOYSA-N 277.236 0.502 5 50 CCBA NC(=O)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-] 4475105 WOCXQMCIOTUMJV-UHFFFAOYSA-N 252.186 0.422 5 50 CCBA investigational O=C(CNc1ccc(Cl)cc1[N+](=O)[O-])NCCO 276269213 UTEFWDJJXSMRNU-UHFFFAOYSA-N 273.676 0.769 5 50 CCBA O=C(CCC(=O)Nc1cccc([N+](=O)[O-])c1)NCCO 2226450 MJFGKOMEMHIIML-UHFFFAOYSA-N 281.268 0.422 5 50 CCBA O=[N+]([O-])c1ccc(CN2CCN(CCO)CC2)o1 4832345 KKCHWRJFLUNOOI-UHFFFAOYSA-N 255.274 0.298 5 50 CCBA COC[C@@]1(C(=O)OC)CCCN1c1ncc([N+](=O)[O-])cn1 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128969747 BTWMOTMWZRGCKW-VIFPVBQESA-N 285.325 0.577 5 50 CCBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc[nH]2)cc1 3161043 TYQOAKPVKGPIFL-UHFFFAOYSA-N 269.242 0.514 5 50 CCBA O=C1CS(=O)CC(=O)N1c1ccc([N+](=O)[O-])cc1 4517583 WGHSASCOTQRSNB-UHFFFAOYSA-N 268.250 0.217 5 50 CCBA COC(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1 32991459 PJUNHQYQGWQAKN-UHFFFAOYSA-N 252.226 0.888 5 50 CCBA Cc1nc2ccccc2c2nc3c(c(=O)[nH]c(=O)n3C)n12 170614855 DJLKNDXMDHVOKG-UHFFFAOYSA-N 281.275 0.731 5 50 CCBA NC(=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 16672001 MEJZBOUNGMDLMC-RFZWMSCOSA-N 291.311 0.967 5 50 CCBA O=C(COc1cccc([N+](=O)[O-])c1)N1CCOCC1 1061677 FWLAPZFEDJOVRS-UHFFFAOYSA-N 266.253 0.832 5 50 CCBA C[N+]1([C@H]2CS(=O)(=O)[C@]23C[C@H]2C=C[C@H]3C2)CCOCC1 101093951 VQAUIPWNKHYINQ-XUXIUFHCSA-N 284.401 0.595 5 50 CCBA O=[N+]([O-])c1ccc(S(=O)(=O)n2cncn2)cc1 2568068 HMNOLKQVFZCVIW-UHFFFAOYSA-N 254.227 0.423 5 50 CCBA CC(C)(CO)NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 5074031 PUIOULMCHISUTF-UHFFFAOYSA-N 299.308 0.404 5 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N[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 129270153 MHDVCTLROJBZDH-LLVKDONJSA-N 285.325 0.610 5 50 CCBA O=[N+]([O-])[C@@H]1[C@H]2[C@@H]3[C@H]4[C@@H]5[C@@H]3[C@H]1[C@@H]1[C@@H]2[C@@H]4C([N+](=O)[O-])([N+](=O)[O-])[C@@H]15 257357894 QQZZAEUTAHWLPL-HSOMJEQCSA-N 293.235 0.125 5 50 CCBA CN1CCN(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 5041881 SSHWCTCDLBAQGL-UHFFFAOYSA-N 279.300 0.879 5 50 CCBA O=[N+]([O-])c1ccc(N2CCN[C@H](CO)C2)c([N+](=O)[O-])c1 952991726 DNHRVJNFKQGBDO-QMMMGPOBSA-N 282.256 0.274 5 50 CCBA COC(=O)C(=O)CC(=O)c1ccccc1[N+](=O)[O-] 100020173 JTDMQZOIDZHUJC-UHFFFAOYSA-N 251.194 0.910 5 50 CCBA CC(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O 3175936 SOPVYCYKWGPONA-SNVBAGLBSA-N 252.226 0.727 5 50 CCBA C[C@H](Nc1ncccc1[N+](=O)[O-])C(=O)NCCN(C)C 585092404 VBWRSDYBRCYQDT-VIFPVBQESA-N 281.316 0.468 5 50 CCBA O=C(O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 43546 RDUYZCLCAUKCDC-ZZXKWVIFSA-N 250.210 0.809 5 50 CCBA COCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 2880040 CZZSADGNBBARLW-UHFFFAOYSA-N 250.210 0.837 5 50 CCBA Cc1ccnc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c1[N+](=O)[O-] 284596826 PNSVPRAPVBVIDX-ZJUUUORDSA-N 291.311 0.901 5 50 CCBA O=C(O)C[S@@](=O)CC(=O)Nc1cccc([N+](=O)[O-])c1 5714408 YJXZIBCBNSRROQ-LJQANCHMSA-N 286.265 0.367 5 50 CCBA CC(=O)NCCNc1ccc(C(=O)O)cc1[N+](=O)[O-] 4706695 RPHBLXXKYHYUSV-UHFFFAOYSA-N 267.241 0.841 5 50 CCBA O=C1[C@H](n2cc([N+](=O)[O-])cn2)CCN1C1CCOCC1 408146255 NUVLPJDLZIQFPK-LLVKDONJSA-N 280.284 0.744 5 50 CCBA CC[C@@H]1[C@@H](CO)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 331342680 YVKLMHZPUUZLKQ-MWLCHTKSSA-N 282.300 0.411 5 50 CCBA Cn1nnnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 58446 JWSRARLTSZLKKX-UHFFFAOYSA-N 294.296 0.849 5 50 CCBA O=C(C[C@H]1NCCNC1=O)Nc1ccc([N+](=O)[O-])cc1 4223133 RVIJHYPVAVITQN-SNVBAGLBSA-N 278.268 0.011 5 50 CCBA C[C@@H]1CNCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 262756088 IATGDDFSEMBADV-BXKDBHETSA-N 299.352 0.871 5 50 CCBA CN1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 20352008 PNKHRCFDPDJQAA-UHFFFAOYSA-N 279.296 0.748 5 50 CCBA C[C@H]1[C@@H](C)NCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 262799817 VGFWPDPMSLBQPH-ZJUUUORDSA-N 299.352 0.966 5 50 CCBA O=c1[nH]c(/C=C\c2cccnc2)c([N+](=O)[O-])c(=O)[nH]1 13544882 WBICTMFPYISFRO-ARJAWSKDSA-N 260.209 0.537 5 50 CCBA NC1[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 170091494 VKVGZJQAEPTXEQ-NXEZZACHSA-N 283.309 0.172 5 50 CCBA CNC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4007008 CASHKRWQAYIUMJ-CQSZACIVSA-N 294.355 0.297 5 50 CCBA Cc1cc(S(=O)(=O)NCCN)ccc1[N+](=O)[O-] 225477566 BQCDMLVBWALUBH-UHFFFAOYSA-N 259.287 0.140 5 50 CCBA C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)N1C 408169275 PNQRCTYEUCBHOQ-AOOOYVTPSA-N 281.316 0.342 5 50 CCBA CCOC(=O)[C@@H](NC(C)=O)[C@@H](O)c1ccccc1[N+](=O)[O-] 2907289 FJHHHIKWLAOVQH-RYUDHWBXSA-N 296.279 0.696 5 50 CCBA CC[C@@H]1CN(C)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 537719665 GKYWBVOKGPJSIV-LLVKDONJSA-N 295.343 0.734 5 50 CCBA CC(C)(O)C(C)(C)OB(O)c1ccc(N)c([N+](=O)[O-])c1 169980638 HYCVGWCTLZTIMW-UHFFFAOYSA-N 282.105 0.431 5 50 CCBA CNc1cc(N2CCN(CCO)CC2)ccc1[N+](=O)[O-] 19890382 GQUYZRXPMHXBFG-UHFFFAOYSA-N 280.328 0.751 5 50 CCBA C(CC[N+]12CCN(CC1)CC2)C[N+]12CCN(CC1)CC2 34320385 BNHPKDXZBXPOAL-UHFFFAOYSA-N 280.460 0.059 5 50 CCBA in-vitro O=[N+]([O-])c1cc(Cl)ccc1N1CC(O)(CO)C1 408524297 SBCRUKGTWPZTSD-UHFFFAOYSA-N 258.661 0.792 5 50 CCBA O=[N+]([O-])c1ccc([C@@H](O)C23CN4CN(CN(C4)C2)C3)cc1 19318829 MLQRKNIXSOEBMC-CYBMUJFWSA-N 290.323 0.434 5 50 CCBA COC(=O)c1[nH]c(C)cc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] 170623597 QOZYQUUDAQSXSL-POYBYMJQSA-N 267.241 0.713 5 50 CCBA O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCOCC1 163965800 SUWVXNWQKCANDX-UHFFFAOYSA-N 252.226 0.773 5 50 CCBA COC(=O)c1[nH]c(C)cc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] 170623595 QOZYQUUDAQSXSL-XPUUQOCRSA-N 267.241 0.713 5 50 CCBA c1ccc(OC[C@H]2C[N+]34CCO[B-]3(OCC4)O2)cc1 169830807 ICTVANSPAWUTNR-WLYUNCDWSA-N 263.102 0.777 5 50 CCBA O=S(=O)(O)CCCC[N+]12CN3CN(CP(C3)C1)C2 1875251681 KGJWBSOVUYDJAT-UHFFFAOYSA-O 294.337 0.343 5 50 CCBA O=C(Cc1ccccc1[N+](=O)[O-])N1CCOCC1 348082 HHNWUVFHZWJTRU-UHFFFAOYSA-N 250.254 0.996 5 50 CCBA C[N+](C)(C)C[C@H](O)CSc1nnnn1-c1ccccc1 402524 QWACPSRUKIHJJQ-LBPRGKRZSA-N 294.404 0.822 5 50 CCBA CN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 4754654 CYNYEPZRJDLUGQ-UHFFFAOYSA-N 264.285 0.446 5 50 CCBA O=S1(=O)CC[N+]2(CCC3(CCC(O)CC3)CC2)CC1 1615610915 QGPQNTNGDOXUMD-UHFFFAOYSA-N 288.433 0.947 5 50 CCBA CCN1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 344435075 VILAXJPNCDVULI-PHIMTYICSA-N 295.343 0.732 5 50 CCBA O=c1oc(=O)c2ccc3c(=O)oc(=O)c4ccc1c2c43 22347605 YTVNOVQHSGMMOV-UHFFFAOYSA-N 268.180 0.649 5 50 CCBA CS(=O)(=O)N1CC[C@@H](Cn2cc([N+](=O)[O-])cn2)C1 408145411 HOKXVFHCIORMKZ-QMMMGPOBSA-N 274.302 0.073 5 50 CCBA O=C(CN1C(=O)CCC1=O)Nc1ncc([N+](=O)[O-])s1 4474867 GJNABYDVXMJZEI-UHFFFAOYSA-N 284.253 0.139 5 50 CCBA CC1(C)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1 212762910 MLMYSBAQQDIRLB-UHFFFAOYSA-N 299.352 0.967 5 50 CCBA N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O 4069928 WMZTYIRRBCGARG-VIFPVBQESA-N 267.241 0.725 5 50 CCBA in-vitro CC(CO)(CO)NC(=O)c1cccc([N+](=O)[O-])c1 25572672 VBDSYSJIESHMGH-UHFFFAOYSA-N 254.242 0.068 5 50 CCBA O=S1(=O)CC[N+]2(CCC(O)(c3ccccc3)CC2)CC1 1615056632 LMKARKIBNDARBY-UHFFFAOYSA-N 296.412 0.913 5 50 CCBA NS(=O)(=O)c1cccc(NCC(F)F)c1[N+](=O)[O-] 225584412 CBRFUWUDGLATBL-UHFFFAOYSA-N 281.240 0.919 5 50 CCBA COC(=O)C(C(=O)OC)c1ccncc1[N+](=O)[O-] 584646315 ABEKXTHLCPDVMX-UHFFFAOYSA-N 254.198 0.419 5 50 CCBA O=c1[nH]c(O)nc2nc3ccc([N+](=O)[O-])cc3nc12 297367 YPGLLOHXTGDELR-UHFFFAOYSA-N 259.181 0.480 5 50 CCBA C[N+]1(C)CCN([C@@H]2CS(=O)(=O)[C@@]23C[C@H]2C=C[C@H]3C2)CC1 101094024 QOSJLPPOQARFNI-BYNSBNAKSA-N 297.444 0.510 5 50 CCBA C[C@@H]1CN(c2ncnc(N)c2[N+](=O)[O-])C[C@@H](C)O1 3912671 HCYAPSPLJQHTCB-RNFRBKRXSA-N 253.262 0.581 5 50 CCBA C[C@H]1CN(c2ccc([N+](=O)[O-])c(NCCO)c2)CCN1 4046677 LWKATNRNJGJLAS-JTQLQIEISA-N 280.328 0.797 5 50 CCBA COC(=O)c1[nH]c(C)cc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 170623594 QOZYQUUDAQSXSL-SVRRBLITSA-N 267.241 0.713 5 50 CCBA C[C@@H](Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-])C(N)=O 4521443 NEPLBHLFDJOJGP-SCSAIBSYSA-N 272.192 0.928 5 50 CCBA in-vitro CCN1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 585088124 LESOAFMXRIXXIE-LLVKDONJSA-N 295.343 0.734 5 50 CCBA Cn1ccc(NC(=O)CNc2ncccc2[N+](=O)[O-])n1 253430200 QCQBHOWTNQVYTC-UHFFFAOYSA-N 276.256 0.774 5 50 CCBA C[C@@H]1COC2(CC[N+]3(CC2)CCS(=O)(=O)CC3)O1 1775988936 SCNHQCXHQJQJHX-LLVKDONJSA-N 276.378 0.157 5 50 CCBA C[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 347031 VUHUHCNGEHTIQR-SSDOTTSWSA-N 260.271 0.254 5 50 CCBA O=C(NCC1CCC2(CC1)OCCO2)[C@H]1C[C@H]1[N+](=O)[O-] 170650264 FOARQHNFVUEODM-WDEREUQCSA-N 284.312 0.701 5 50 CCBA O=C1[C@H]2C[C@@H]3[C@H]4[C@H]5[C@@H]([C@H]1C[C@H]5C3([N+](=O)[O-])[N+](=O)[O-])[C@H]24 257358627 VMTYGGVTYYDSRE-KGFJWRBBSA-N 264.237 0.583 5 50 CCBA COC[C@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 19907285 TYHGZJMFAMIXCJ-GFCCVEGCSA-N 295.339 0.724 5 50 CCBA O=C(O)CCC(CCC(=O)O)(CCC(=O)O)[N+](=O)[O-] 2149737 JCMYUFMDOYGRKD-UHFFFAOYSA-N 277.229 0.596 5 50 CCBA in-vitro Nc1nc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n[nH]1 6974260 MDEWLNJXGGKYKH-UHFFFAOYSA-N 250.174 0.870 5 50 CCBA O=C(O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 11804456 ZCGJFIPBEYNNCQ-UHFFFAOYSA-N 274.254 0.348 5 50 CCBA O=c1[nH]c(=O)n(Cc2ccc(O)c([N+](=O)[O-])c2)cc1F 19316007 PUPUYXSTDJWALU-UHFFFAOYSA-N 281.199 0.338 5 50 CCBA NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 4544880 NCOCKEVUJUIWRX-LLVKDONJSA-N 292.295 0.483 5 50 CCBA O=C(NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 170620501 IJLZOFRDOISHIP-VXGBXAGGSA-N 295.339 0.559 5 50 CCBA O=c1[nH]c2cc([N+](=O)[O-])c(NCCO)c([N+](=O)[O-])c2[nH]1 13555003 KYMTYHWWSGHHQC-UHFFFAOYSA-N 283.200 0.077 5 50 CCBA O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCS(=O)(=O)C1 5027891 WWMJKMPLBWUCKQ-VIFPVBQESA-N 299.308 0.903 5 50 CCBA CCN1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 424054483 ACMQUASLFJICQH-VIFPVBQESA-N 267.289 0.002 5 50 CCBA O=[N+]([O-])c1ccc([S@@](=O)N2CCOCC2)cc1 46536 ZTIYMMCXOQLQED-KRWDZBQOSA-N 256.283 0.950 5 50 CCBA Cc1cc(NC(=O)CCCn2cnc([N+](=O)[O-])n2)no1 215161 JYRLEEPIDYMMGK-UHFFFAOYSA-N 280.244 0.902 5 50 CCBA O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4699497 ZGWVXVSSOFVVGO-NSHDSACASA-N 293.279 0.829 5 50 CCBA CCN1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 344435074 VILAXJPNCDVULI-GHMZBOCLSA-N 295.343 0.732 5 50 CCBA Nc1[nH]c(=O)c(I)cc1[N+](=O)[O-] 38314692 YPSCFDIDAMTMKR-UHFFFAOYSA-N 281.009 0.470 5 50 CCBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2C[C@H]1CN2 601346766 XYJZXXHJLOJLGD-IUCAKERBSA-N 283.309 0.330 5 50 CCBA O=[N+]([O-])c1ccc2nc(NCCO)c(NCCO)nc2c1 2862396 JRQLXBISHBRSCF-UHFFFAOYSA-N 293.283 0.346 5 50 CCBA O=[N+]([O-])c1cccnc1N[C@@H](CO)CN1CCOCC1 585092486 ZVEWXVOKIPKULB-SNVBAGLBSA-N 282.300 0.095 5 50 CCBA Cc1nnnn1CC(=O)Nc1ccccc1[N+](=O)[O-] 4524448 KMSXCFBNTIZWDL-UHFFFAOYSA-N 262.229 0.528 5 50 CCBA C[N+]1([C@@H]2CS(=O)(=O)[C@@]23C[C@H]2C=C[C@H]3C2)CCOCC1 101093952 VQAUIPWNKHYINQ-IGQOVBAYSA-N 284.401 0.595 5 50 CCBA CN(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 252925 BPHLMIDHXPVULA-UHFFFAOYSA-N 260.271 0.208 5 50 CCBA Cn1c([N+](=O)[O-])cnc1COc1cnc([S@](C)=O)nc1 4517584 YZKATILJQLOXKY-HXUWFJFHSA-N 297.296 0.435 5 50 CCBA C[N+]1(C)CCN([C@H]2CS(=O)(=O)[C@]23C[C@H]2C=C[C@H]3C2)CC1 101094019 QOSJLPPOQARFNI-AJNGGQMLSA-N 297.444 0.510 5 50 CCBA CNC(=O)[C@H](CO)Nc1ncc([N+](=O)[O-])cc1Cl 170079949 GMQGNJDVYHICJQ-ZETCQYMHSA-N 274.664 0.162 5 50 CCBA O=[N+]([O-])c1cc(Cl)cnc1N1CCS(=O)(=O)CC1 153689020 FZWFQUMQIPXSTF-UHFFFAOYSA-N 291.716 0.878 5 50 CCBA NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1C[C@@H](O)C1 599174920 MAJJKGGQBRGAMF-WRXNHJIOSA-N 266.257 0.272 5 50 CCBA COCCNC(=O)c1cc([N+](=O)[O-])c(N)cc1F 253405196 IJCBUZTVCXWYSF-UHFFFAOYSA-N 257.221 0.692 5 50 CCBA Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1nnc(N)o1 170601734 SEBSOAHSNOMSCR-UHFFFAOYSA-N 277.240 0.798 5 50 CCBA C[C@H](N)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 132293625 CAMFJKQJGYRDAN-UWVGGRQHSA-N 299.352 0.953 5 50 CCBA COCCNc1c([N+](=O)[O-])nn(-c2ccccc2)[n+]1[O-] 4828756 ANVBECSAMCOZRS-UHFFFAOYSA-N 279.256 0.472 5 50 CCBA CN(CCS(C)(=O)=O)c1ncc(F)cc1[N+](=O)[O-] 865506516 AMONAAGPOBILOS-UHFFFAOYSA-N 277.277 0.610 5 50 CCBA O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc2c(c1)OCO2 197130 IPRWRZFHCCYJKO-UHFFFAOYSA-N 291.223 0.554 5 50 CCBA CN(C)C(=O)c1ccc(C(=O)N(C)C)c([N+](=O)[O-])c1 247953255 CKYZFHPNOSSUKQ-UHFFFAOYSA-N 265.269 0.998 5 50 CCBA C[C@H](N(C)C(=O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)O 296756364 CIPDBNXGULPONQ-QMMMGPOBSA-N 270.289 0.409 5 50 CCBA CN[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 129010686 XKECTWOQBVELGW-VIFPVBQESA-N 285.325 0.577 5 50 CCBA CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)O 358584556 RGUQGKDWRAQWGV-SECBINFHSA-N 270.289 0.457 5 50 CCBA Cc1ncc([N+](=O)[O-])n1CCN1C(=O)CCC1=O 71772891 GLBCFTZMBFJEGU-UHFFFAOYSA-N 252.230 0.249 5 50 CCBA O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOCC(F)(F)C1 377508329 PWOJMTAPUHJANW-UHFFFAOYSA-N 290.226 0.285 5 50 CCBA NC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 3883697 GRAJYPRJHNYASS-UHFFFAOYSA-N 251.242 0.530 5 50 CCBA O=[N+]([O-])c1cccnc1N1CCC[C@H](c2nnn[nH]2)C1 159508774 VFPXIDBVKHGYOA-QMMMGPOBSA-N 275.272 0.887 5 50 CCBA O=[N+]([O-])c1cccnc1N1CCC[C@@H](c2nnn[nH]2)C1 159508915 VFPXIDBVKHGYOA-MRVPVSSYSA-N 275.272 0.887 5 50 CCBA Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N)n1C 170088192 MMOIOTUUNORYFV-UHFFFAOYSA-N 276.256 0.866 5 50 CCBA C[C@@H](CNc1ccc([N+](=O)[O-])cc1)NS(C)(=O)=O 12383527 NFPRADBMDLEOKR-QMMMGPOBSA-N 273.314 0.944 5 50 CCBA Cc1ccnc(NCC2=NN(C)C(=O)C2)c1[N+](=O)[O-] 225535454 ZSJCNFIAIGEKAE-UHFFFAOYSA-N 263.257 0.928 5 50 CCBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1[C@H]2CC[C@H]1CNC2 596049723 GPXDBKGYNDKADN-UWVGGRQHSA-N 297.336 0.720 5 50 CCBA CN1C(=O)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)NN(C)[C@H]2C1=O 19169742 GTXWHSJHZYYLNH-OUAUKWLOSA-N 290.279 0.069 5 50 CCBA COC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 4005880 XAUMQBFXHCRFGM-UHFFFAOYSA-N 288.281 0.436 5 50 CCBA CN(C[C@@H]1CCCN1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 234301754 ZWNMWPYVHNHBJD-JTQLQIEISA-N 299.352 0.967 5 50 CCBA O=[N+]([O-])c1cc(Cl)cnc1N1CCOC[C@H]1CO 168707973 UGCLOHTZNPWLMI-MRVPVSSYSA-N 273.676 0.841 5 50 CCBA O=C(O)c1cc([N+](=O)[O-])c(NCCCO)c([N+](=O)[O-])c1 3877748 SIMIBTVPAYYYAT-UHFFFAOYSA-N 285.212 0.996 5 50 CCBA CN1C=C(C(=O)NCC[N+](C)(C)C)C=C/C1=C\N=O 137645045 KXIKACZTXVJNGZ-FMIVXFBMSA-O 265.337 0.802 5 50 CCBA Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1S(N)(=O)=O 1084476 CAGNIPQNIRXJBZ-UHFFFAOYSA-N 283.269 0.038 5 50 CCBA O=C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1 92612 KMJIFRSYOIESNK-UHFFFAOYSA-N 299.308 0.105 5 50 CCBA C[C@@H](Nc1ncccc1[N+](=O)[O-])C(=O)NCCN(C)C 585092403 VBWRSDYBRCYQDT-SECBINFHSA-N 281.316 0.468 5 50 CCBA CCOC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)CC1=O 2519712 OPPMOVOULMBMEI-UHFFFAOYSA-N 277.236 0.903 5 50 CCBA O=C(c1cccc([N+](=O)[O-])c1O)N1CCC[C@H](O)C1 159820093 GYRRNYIDRAZNPY-QMMMGPOBSA-N 266.253 0.897 5 50 CCBA C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)C(=O)O 141301138 PTWBLORHAVYMNJ-YFKPBYRVSA-N 253.214 0.380 5 50 CCBA Cn1cc(N2CC[C@@H](n3cc([N+](=O)[O-])cn3)C2=O)cn1 170592932 FEEPOTSLFFKEKO-SNVBAGLBSA-N 276.256 0.503 5 50 CCBA Cc1nn(CC(=O)N2CCOCC2)c(C)c1[N+](=O)[O-] 197059 GZPZRSIYFXXFEF-UHFFFAOYSA-N 268.273 0.267 5 50 CCBA C[C@H](CCN)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 310725820 BZMKFVNJFSZNAK-MRVPVSSYSA-N 273.314 0.610 5 50 CCBA C[C@@H](N)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 132293408 CAMFJKQJGYRDAN-NXEZZACHSA-N 299.352 0.953 5 50 CCBA O=[N+]([O-])c1cc2c(N3C[C@@H](O)C[C@@H](O)C3)ncnc2s1 587989780 VBKRCMKNGIXKFO-KNVOCYPGSA-N 296.308 0.531 5 50 CCBA C[C@H](O)CNCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4046671 ULPHZEOVTROAPS-QMMMGPOBSA-N 284.272 0.885 5 50 CCBA C[C@@H](C(=O)NC(N)=O)N(C)CCc1ccccc1[N+](=O)[O-] 239722493 CCYDUFVSZTWTQR-VIFPVBQESA-N 294.311 0.653 5 50 CCBA O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CC[C@H](O)C1 164865050 FPDFILNMQRSQDP-QMMMGPOBSA-N 252.226 0.507 5 50 CCBA O=C1NC[C@H](O)CC12CN(c1ccc(F)cc1[N+](=O)[O-])C2 952992820 DGPYMUKOWBIWMQ-SECBINFHSA-N 295.270 0.421 5 50 CCBA CS(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1 4703601 NCKDSHWIAXTZDM-UHFFFAOYSA-N 259.287 0.556 5 50 CCBA CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 37022397 SRGVOCCSQYZPAK-UHFFFAOYSA-N 260.271 0.902 5 50 CCBA Cc1ccc(N[C@@H]2C[C@H](O)[C@H](CO)O2)cc1[N+](=O)[O-] 4358210 MBXAQKREJCGGLD-SRVKXCTJSA-N 268.269 0.783 5 50 CCBA O=[N+]([O-])c1ccccc1CN1CCN(CCO)CC1 95788055 GQGBDZNZZFYODZ-UHFFFAOYSA-N 265.313 0.705 5 50 CCBA COc1ccc(C(=O)Nn2cnnc2)cc1[N+](=O)[O-] 117095 DRHORLSKMXAQKG-UHFFFAOYSA-N 263.213 0.579 5 50 CCBA O=C(O)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 2036149 NOJZBJAFCSWMKC-SECBINFHSA-N 296.235 0.643 5 50 CCBA in-vitro COc1ccc(N[C@@H]2C[C@@H](O)[C@H](CO)O2)c([N+](=O)[O-])c1 33838019 SFCLGTXYVJBYGH-WOPDTQHZSA-N 284.268 0.484 5 50 CCBA Cc1cc(NC[C@@H]2CC[C@H](C(N)=O)O2)ncc1[N+](=O)[O-] 253421029 OLMSMYCQXQADGS-WCBMZHEXSA-N 280.284 0.743 5 50 CCBA O=C1CC[C@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)N1 446027 QZDOXGDFHXKYON-SNVBAGLBSA-N 292.247 0.599 5 50 CCBA O=[N+]([O-])C1([N+](=O)[O-])[C@@H]2C[C@@H]3C(=NO)[C@@H]4C[C@@H]1[C@@H]1[C@@H]4[C@H]3[C@@H]12 104300577 DVIHSUYDZGBEPA-PCALKWHLSA-N 279.252 0.844 5 50 CCBA Cc1cc(C(=O)NCCN2CCOCC2)ccc1[N+](=O)[O-] 19571558 BEKMMZYSRNTJAV-UHFFFAOYSA-N 293.323 0.965 5 50 CCBA Nc1nonc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 2983464 XEOHTWLHVFWPHG-UHFFFAOYSA-N 292.207 0.600 5 50 CCBA Cc1cc(N(C[C@H](C)O)[C@@H](C)CO)ncc1[N+](=O)[O-] 225814863 HXGJWSMVDFIDLG-UWVGGRQHSA-N 269.301 0.866 5 50 CCBA CO[C@H]1CC[N+]2(CCS(=O)(=O)CC2)CC1(C)C 1775988777 HJNVFOWHVWRHFG-NSHDSACASA-N 262.395 0.677 5 50 CCBA CCOC(=O)c1ccnc(N2CC(C)(O)C2)c1[N+](=O)[O-] 170088074 DJOMVVFNCTXENF-UHFFFAOYSA-N 281.268 0.738 5 50 CCBA CC(C)(N)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 129634599 VXYXDNGALZBKCX-UHFFFAOYSA-N 287.341 0.752 5 50 CCBA COc1ccc(N[C@@H]2C[C@@H](O)[C@@H](CO)O2)c([N+](=O)[O-])c1 15746371 SFCLGTXYVJBYGH-UTUOFQBUSA-N 284.268 0.484 5 50 CCBA O=C1CC[C@@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)N1 446028 QZDOXGDFHXKYON-JTQLQIEISA-N 292.247 0.599 5 50 CCBA Cc1ccnc(C2CC[N+]3(CC2)CCS(=O)(=O)CC3)n1 1775988911 QHTMIUICNKMZSX-UHFFFAOYSA-N 296.416 0.908 5 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CCBA Nc1ccn(CC(=O)NC2CCCC2)c(=O)c1[N+](=O)[O-] 585118732 ZVPYUUYXLVZXGA-UHFFFAOYSA-N 280.284 0.398 5 50 CCBA COc1ccc(NC(=O)CN2CCOCC2)c([N+](=O)[O-])c1 19296335 GYIAJQVUZQRYJH-UHFFFAOYSA-N 295.295 0.874 5 50 CCBA O=C(Cn1cc([N+](=O)[O-])cn1)NCCO[C@@H]1CCCCO1 408517358 CQQQICKWQNREDH-GFCCVEGCSA-N 298.299 0.451 5 50 CCBA O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ncccc1O 195436900 BYCMIBYKLQMDSM-UHFFFAOYSA-N 290.235 0.496 5 50 CCBA N=c1[nH]c2cc(S(=O)(=O)O)cc([N+](=O)[O-])c2o1 585662357 WLJYOPBQYDHTQM-UHFFFAOYSA-N 259.199 0.395 5 50 CCBA Cc1noc(=O)n1CC(=O)Nc1ccc([N+](=O)[O-])cc1 1875391552 ARJQWIGNVASXNE-UHFFFAOYSA-N 278.224 0.692 5 50 CCBA Cc1cc([N+](=O)[O-])cc2c1NC(=O)[C@]2(O)N1CCOCC1 5015788 LLQANBYCBIAPTJ-ZDUSSCGKSA-N 293.279 0.333 5 50 CCBA Cc1c([N+](=O)[O-])cc2nc(O)c(=O)[nH]c2c1[N+](=O)[O-] 16675747 TVBHFQRDZXDKKZ-UHFFFAOYSA-N 266.169 0.754 5 50 CCBA CNCCCNc1ncc([N+](=O)[O-])cc1C(N)=O 420142599 UTGGXGBXKXYOJN-UHFFFAOYSA-N 253.262 0.110 5 50 CCBA 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O=[N+]([O-])c1ccc(N[C@@H]2C[C@H](O)[C@@H](CO)O2)cc1 13603337 UWSNAJVXFGEVDK-AXFHLTTASA-N 254.242 0.475 5 50 CCBA CC(=O)OCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 187335 SWPURVOSXQNNLH-UHFFFAOYSA-N 278.220 0.754 5 50 CCBA O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC[C@H]1CO 133340324 HJRIBZLWQQOVIQ-VIFPVBQESA-N 266.253 0.897 5 50 CCBA Cc1ccnc(NCCn2ccc(O)nc2=O)c1[N+](=O)[O-] 952880318 AFNQOUHIZKZIFV-UHFFFAOYSA-N 291.267 0.673 5 50 CCBA O=[N+]([O-])c1c(N2CCN(CCO)CC2)ccc2nonc12 19708165 FTUJMLRZRUABPN-UHFFFAOYSA-N 293.283 0.245 5 50 CCBA CCOC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 2865001 HXUOECRCZBJIAJ-UHFFFAOYSA-N 252.226 0.888 5 50 CCBA O=[N+]([O-])c1c(N2CCN[C@H](CO)C2)ccc2ncccc12 952994464 PPRDOUHZSGRKJP-JTQLQIEISA-N 288.307 0.914 5 50 CCBA Nn1cnn2c(SCc3ccc([N+](=O)[O-])cc3)nnc12 225485 KQOWFRWVZDIFOI-UHFFFAOYSA-N 291.296 0.840 5 50 CCBA Nn1ccc2nc3ccn(C4CC4)c(=O)c3cc2c1=O 40398609 CHOVTSDDNKDPBU-UHFFFAOYSA-N 268.276 0.760 5 50 CCBA COc1ccc(N[C@@H]2C[C@H](O)[C@@H](CO)O2)c([N+](=O)[O-])c1 15746374 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CCBA COCCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 2080922 JMIRTLSBOSSLLY-UHFFFAOYSA-N 254.242 0.980 5 50 CCBA c1ccc(OC[C@@H]2C[N+]34CCO[B-]3(OCC4)O2)cc1 169830805 ICTVANSPAWUTNR-NFOMZHRRSA-N 263.102 0.777 5 50 CCBA CCOc1ccc(C(=O)Nc2nnn(C)n2)cc1[N+](=O)[O-] 558132 VJVPFQZPMIDOTM-UHFFFAOYSA-N 292.255 0.769 5 50 CCBA Cc1nn2cc(-n3cc([N+](=O)[O-])cn3)cnc2c1C(N)=O 4821307 ZGBDOBRBMRNZTQ-UHFFFAOYSA-N 287.239 0.231 5 50 CCBA Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](O)C2(C)C)n1 275258989 NYOVKHSWKBLHOE-YUMQZZPRSA-N 268.273 0.218 5 50 CCBA CCC[C@@H](O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 206771389 VYEONLJQPYRKAN-GHMZBOCLSA-O 276.353 0.630 5 50 CCBA CC(=O)[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 565593418 WAZMFHICOUZDBR-LLVKDONJSA-N 280.284 0.761 5 50 CCBA CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1 5180959 MWFZDJLPWDCQIL-UHFFFAOYSA-N 279.256 0.121 5 50 CCBA in-vitro O=[N+]([O-])c1cccc(OCCNCCN2CCOCC2)c1 4832243 HRDGZWSYJFGWGE-UHFFFAOYSA-N 295.339 0.895 5 50 CCBA O=[N+]([O-])c1cccnc1N[C@H](CO)CN1CCOCC1 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0.966 5 50 CCBA O=C(O)C[C@H](Nc1ccccc1[N+](=O)[O-])C(=O)O 124327486 RWSDSNMBLLDYCJ-ZETCQYMHSA-N 254.198 0.935 5 50 CCBA CCNCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 237022043 TZKINGMDDMDVFK-UHFFFAOYSA-N 287.341 0.791 5 50 CCBA O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2[C@@H]3CNC[C@@H]32)cc1 249904342 JKDQYOSYJNMENX-URLYPYJESA-N 283.309 0.091 5 50 CCBA C=C(C)C(=O)OCC[N+](C)(C)CCCCS(=O)(=O)O 116674577 GPVILMAFGAKQPP-UHFFFAOYSA-O 294.393 0.850 5 50 CCBA Nc1ncnc(NCCCN2CCOCC2)c1[N+](=O)[O-] 20388389 VTTIMGYZNNGONA-UHFFFAOYSA-N 282.304 0.101 5 50 CCBA CCn1c(=N)c(C(=O)NC)cc2c(=O)n3ccccc3nc21 100617646 WECRCKBJGKOHFT-UHFFFAOYSA-N 297.318 0.508 5 50 CCBA O=[N+]([O-])c1c(N2CCOCC2)ccc2nonc12 3996100 LGSHYUGBOWBJBI-UHFFFAOYSA-N 250.214 0.968 5 50 CCBA C[C@@H]1NCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C 262799815 VGFWPDPMSLBQPH-UWVGGRQHSA-N 299.352 0.966 5 50 CCBA O=[N+]([O-])c1cccc([C@H](O)C23CN4CN(CN(C4)C2)C3)c1 19320617 LDAFHMJTODDPDN-ZDUSSCGKSA-N 290.323 0.434 5 50 CCBA CC(=O)[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 584404932 WAZMFHICOUZDBR-NSHDSACASA-N 280.284 0.761 5 50 CCBA COCCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 2931390 QLVKZBGGPPXEPX-UHFFFAOYSA-N 282.252 0.758 5 50 CCBA O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)C3CC3)CC2)nc1 1615538821 JNIAQEVTNMVKRE-CYBMUJFWSA-N 292.339 0.883 5 50 CCBA Cc1cc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)ccc1[N+](=O)[O-] 70104 UFFGDKGPWIPDDI-UHFFFAOYSA-N 290.235 0.532 5 50 CCBA COC1=CC[C@@]2([N+](=O)[O-])CN(C)C[C@@]1([N+](=O)[O-])C2 169300558 ORVXXXBXSDPROG-UWVGGRQHSA-N 257.246 0.287 5 50 CCBA NCCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1 4132194 SRIAHABFEUBOHK-UHFFFAOYSA-N 266.301 0.802 5 50 CCBA CCOC(=O)c1cc([N+](=O)[O-])c(S(N)(=O)=O)cc1C 1857784129 BUUDEHQZONHBTR-UHFFFAOYSA-N 288.281 0.727 5 50 CCBA O=C(NN1CCOCC1)c1cccc([N+](=O)[O-])c1 437766 RBEWRSFVYLYXAD-UHFFFAOYSA-N 251.242 0.572 5 50 CCBA COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 5336299 JTKJHCOCJWYYKZ-UHFFFAOYSA-N 259.239 0.785 5 50 CCBA O=C(O)COc1ccc(OCC(=O)O)c([N+](=O)[O-])c1 4761449 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DTZNOPGDCXUNGR-UHFFFAOYSA-N 293.327 0.738 5 50 CCBA COC(=O)c1ccc(N)c([N+](=O)[O-])c1C(=O)OC 34320380 VMCZLGPQSKPJTH-UHFFFAOYSA-N 254.198 0.750 5 50 CCBA CCOC(=O)[C@@H]1[C@@H]([N+](C)(C)C)C(C)(C)S1(=O)=O 71785400 CGPVBRCEVBVLIL-DTWKUNHWSA-N 264.367 0.200 5 50 CCBA C[C@@H](CCN)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 310768999 OQOIHLNJOLRPML-QMMMGPOBSA-N 273.314 0.610 5 50 CCBA O=C(Nc1c[nH]c(=O)[nH]c1=O)c1cccc([N+](=O)[O-])c1 138722 IKSPVEPOYIEEGO-UHFFFAOYSA-N 276.208 0.224 5 50 CCBA NC[C@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 131700154 KIJNMJJLIBQDBY-SECBINFHSA-N 285.325 0.707 5 50 CCBA C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1N 170090557 ZPOCHDJJPYRUTC-KWQFWETISA-N 285.325 0.563 5 50 CCBA CCC(=O)[C@@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 585087635 YPKSOYAWVYBGEB-JTQLQIEISA-N 280.284 0.761 5 50 CCBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOCC2)cc1 102571 ORGHDHBPWCKATA-UHFFFAOYSA-N 272.282 0.616 5 50 CCBA in-vitro COC(=O)CNc1ccc(C(=O)OC)cc1[N+](=O)[O-] 4629082 WABUYJXRDJWTKO-UHFFFAOYSA-N 268.225 0.966 5 50 CCBA C[C@@H]1OCC[C@]1(C)NC(=O)c1c([N+](=O)[O-])cnn1C 408190054 ZNQXUBDWAWMKRE-CPCISQLKSA-N 268.273 0.626 5 50 CCBA CCOC(=O)[C@@]1(C)[C@H]([N+](C)(C)C)C(C)(C)S1(=O)=O 71785393 YOAMWLFECQBFCU-BXKDBHETSA-N 278.394 0.590 5 50 CCBA C[C@@H](N)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 132293854 CAMFJKQJGYRDAN-ZJUUUORDSA-N 299.352 0.953 5 50 CCBA NC(=O)C[C@H]1CCCN(c2ccnc([N+](=O)[O-])c2N)C1 225541543 WUGIZKFNQBEJEO-MRVPVSSYSA-N 279.300 0.664 5 50 CCBA CCCC(=O)CNC(=O)Cn1cc([N+](=O)[O-])cn1 585087529 FRYYJHDGJLDUJE-UHFFFAOYSA-N 254.246 0.277 5 50 CCBA Cc1nn([C@H](C)C(=O)N2CCOCC2)c(C)c1[N+](=O)[O-] 1070368 KDGBJCLELRPNNQ-SNVBAGLBSA-N 282.300 0.828 5 50 CCBA O=C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCC[C@@H]12 888093738 HCIMJBQVDHXZRI-GHMZBOCLSA-N 292.295 0.761 5 50 CCBA C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 4517289 PWOCOTZWYFGDMO-ANLVUFKYSA-N 285.212 0.749 5 50 CCBA in-vitro O=c1[nH]cc(I)cc1[N+](=O)[O-] 11919373 JCNPQYWDKONAFU-UHFFFAOYSA-N 265.994 0.888 5 50 CCBA in-vitro Cc1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1 101632673 UQLDNZUUGCNIGG-BIRIHMBJSA-N 298.295 0.143 5 50 CCBA CCN1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 344435076 VILAXJPNCDVULI-QWRGUYRKSA-N 295.343 0.732 5 50 CCBA COC(=O)COc1ccc(C(=O)OC)cc1[N+](=O)[O-] 16189832 OBBJTLAPMLAEFS-UHFFFAOYSA-N 269.209 0.933 5 50 CCBA CN(CCO)S(=O)(=O)c1ccccc1[N+](=O)[O-] 198673 XXNLNCNIRRSULU-UHFFFAOYSA-N 260.271 0.208 5 50 CCBA CNC(=O)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1F 170595677 NAUIJIIFIXIFCI-SECBINFHSA-N 257.221 0.253 5 50 CCBA CCCn1nnnc1Cn1cccc([N+](=O)[O-])c1=O 225533622 YGYBYROQJKXMBB-UHFFFAOYSA-N 264.245 0.201 5 50 CCBA CO[C@@H]1CC[N+]2(CCS(=O)(=O)CC2)CC1(C)C 1775988776 HJNVFOWHVWRHFG-LLVKDONJSA-N 262.395 0.677 5 50 CCBA Nc1ccc(NC(=O)[C@H]2CCCC(=O)N2)cc1[N+](=O)[O-] 818027565 ZPWBYJBBBDERIE-SECBINFHSA-N 278.268 0.784 5 50 CCBA N[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 129269930 MHDVCTLROJBZDH-NSHDSACASA-N 285.325 0.610 5 50 CCBA O=C(C[C@H]1NC(=O)NC1=O)Nc1ccc([N+](=O)[O-])cc1 5065072 PGJVXGJGJUSFQL-MRVPVSSYSA-N 278.224 0.131 5 50 CCBA NC[C@H](O)CNc1ccc([N+](=O)[O-])c2cccnc12 4046654 MBZPCTWLFNYBND-QMMMGPOBSA-N 262.269 0.875 5 50 CCBA in-vivo O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCNCC1 34847870 DBCUQKKNQBCTBB-UHFFFAOYSA-N 271.298 0.189 5 50 CCBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOCC2)c1 4369157 XCYXNNGNLAIXNM-UHFFFAOYSA-N 272.282 0.616 5 50 CCBA C[C@H](CCN)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 310768997 OQOIHLNJOLRPML-MRVPVSSYSA-N 273.314 0.610 5 50 CCBA C[C@H](C(=O)NC(N)=O)N(C)CCc1ccccc1[N+](=O)[O-] 239722492 CCYDUFVSZTWTQR-SECBINFHSA-N 294.311 0.653 5 50 CCBA C[C@H]1[C@@H](O)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 395044744 UPEDFKWSQBYIMD-WPRPVWTQSA-N 268.273 0.163 5 50 CCBA CCOC(=O)[C@@H](NC(C)=O)[C@H](O)c1ccccc1[N+](=O)[O-] 2907287 FJHHHIKWLAOVQH-NWDGAFQWSA-N 296.279 0.696 5 50 CCBA CCOC(=O)Cn1c(C)cc(C)c([N+](=O)[O-])c1=O 52533 MMPSNZAYTBIPKE-UHFFFAOYSA-N 254.242 0.936 5 50 CCBA C[C@H]1CN(c2ncnc(N)c2[N+](=O)[O-])C[C@H](C)O1 3912670 HCYAPSPLJQHTCB-BQBZGAKWSA-N 253.262 0.581 5 50 CCBA C[C@H]1C[C@@H](CN)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 170054985 XNHYZLBNZRVVMN-UWVGGRQHSA-N 299.352 0.953 5 50 CCBA CS(=O)(=O)N1CCCc2cc([N+](=O)[O-])cc(N)c21 1857781960 ZHZXZQNYGLLESB-UHFFFAOYSA-N 271.298 0.889 5 50 CCBA Cc1c(N)cc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 1058265 RQVOKXDGGGUFAE-UHFFFAOYSA-N 265.269 0.958 5 50 CCBA CCn1c(=O)c2cc([N+](=O)[O-])c(N)cc2n(CC)c1=O 4772925 SKPASEQAFVRWDL-UHFFFAOYSA-N 278.268 0.693 5 50 CCBA CS(=O)(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 130220410 IURXOVLQTYZZIL-UHFFFAOYSA-N 256.243 0.843 5 50 CCBA CN1C(=O)C2(OCCO2)c2cc([N+](=O)[O-])ccc21 4302123 QEELWADROJOYCV-UHFFFAOYSA-N 250.210 0.771 5 50 CCBA Cc1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1 247940906 UQLDNZUUGCNIGG-WDAHDJQVSA-N 298.295 0.143 5 50 CCBA O=C(O)C[S@@](=O)CC(=O)Nc1ccccc1[N+](=O)[O-] 5717505 GVCLFLUFHAQNRR-LJQANCHMSA-N 286.265 0.367 5 50 CCBA O=C1[C@H]2C[C@@H]3[C@@H]4[C@H]5[C@@H]([C@H]1C[C@H]5C3([N+](=O)[O-])[N+](=O)[O-])[C@H]24 104300555 VMTYGGVTYYDSRE-PCALKWHLSA-N 264.237 0.583 5 50 CCBA O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1O 18118278 RWVIMCIPOAXUDG-UHFFFAOYSA-N 252.142 0.445 5 50 CCBA in-vivo O=C(O)CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 2314520 VYPHCIPQBOUDBZ-UHFFFAOYSA-N 288.281 0.738 5 50 CCBA COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H](C)OC 952882849 KNVCNEAXCVPEKE-ZCFIWIBFSA-N 255.230 0.972 5 50 CCBA CCOC(=O)[C@H](NC(C)=O)[C@H](O)c1ccccc1[N+](=O)[O-] 2907286 FJHHHIKWLAOVQH-VXGBXAGGSA-N 296.279 0.696 5 50 CCBA O=C(O)[C@H](CO)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4517279 SBQZBOCQYMVLTC-ZETCQYMHSA-N 271.185 0.360 5 50 CCBA in-vitro Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H](O)[C@H](CO)O1 4981799 YKYQIOUXQJGQKF-SRVKXCTJSA-N 268.269 0.783 5 50 CCBA CCOC(=O)[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(C)=O 35395328 VFDMIQARHVLPBK-SNVBAGLBSA-N 296.279 0.911 5 50 CCBA Cn1cc(C[C@@H](CO)CNc2ncccc2[N+](=O)[O-])cn1 585092051 CNYODNWZBWXSFL-LLVKDONJSA-N 291.311 0.986 5 50 CCBA C[C@H](C(=O)NC[C@@H]1CCCO1)n1cc([N+](=O)[O-])cn1 1069000 CLPFGJUEERUWJN-SCZZXKLOSA-N 268.273 0.648 5 50 CCBA COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1196983 FJBYDKWGHGAJJX-UHFFFAOYSA-N 264.193 0.364 5 50 CCBA CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)NN2C 170621020 GTXWHSJHZYYLNH-MXWKQRLJSA-N 290.279 0.069 5 50 CCBA CCn1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(O)nc21 71772182 LSWLURRYBJIFBQ-UHFFFAOYSA-N 279.208 0.728 5 50 CCBA Cc1c(C(=O)NN2CCOCC2)cccc1[N+](=O)[O-] 437713 OSDVESPSNUKAQC-UHFFFAOYSA-N 265.269 0.880 5 50 CCBA O=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 175723 VEVGTTUIMHJYSO-UHFFFAOYSA-N 250.166 0.275 5 50 CCBA in-vitro CCc1[nH]nc(C(=O)N[C@@H](C)c2nc[nH]n2)c1[N+](=O)[O-] 351671203 BUPDMCUZKVFODA-YFKPBYRVSA-N 279.260 0.489 5 50 CCBA O=C(Cc1ccccc1[N+](=O)[O-])NN1CCOCC1 2872696 PKJUFBHUKUZXDZ-UHFFFAOYSA-N 265.269 0.501 5 50 CCBA COC(=O)C(C(=O)OC)c1ncc([N+](=O)[O-])cc1C 95496136 VRVBXUOXQFENEI-UHFFFAOYSA-N 268.225 0.728 5 50 CCBA C[C@@H]1CN(c2ccc([N+](=O)[O-])c(NCCO)c2)CCN1 4046674 LWKATNRNJGJLAS-SNVBAGLBSA-N 280.328 0.797 5 50 CCBA CC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 174040 PIVQDUYOEIAFDM-QWRGUYRKSA-N 254.242 0.125 5 50 CCBA biogenic,in-vivo CC[C@H]1[C@@H](CO)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 331342679 YVKLMHZPUUZLKQ-KOLCDFICSA-N 282.300 0.411 5 50 CCBA O=[N+]([O-])c1cccnc1NCCCn1cnnc1O 585092421 WEEVFTQSDAINDY-UHFFFAOYSA-N 264.245 0.789 5 50 CCBA O=c1c(I)c[nH]cc1[N+](=O)[O-] 35270274 IRCVFNRJFRGRRX-UHFFFAOYSA-N 265.994 0.888 5 50 CCBA in-vitro O=c1[nH]c(/C=C\c2cccnc2)nc(O)c1[N+](=O)[O-] 9010343 DGUKINSFYXIMIL-ARJAWSKDSA-N 260.209 0.949 5 50 CCBA O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCCO1 170603935 GYSSOGAIDCKOJR-UHFFFAOYSA-N 254.246 0.735 5 50 CCBA Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2nc[nH]c12 1670996 YFTWHEBLORWGNI-UHFFFAOYSA-N 292.284 0.728 5 50 CCBA in-man Cc1c(CNC(=O)c2c([N+](=O)[O-])cnn2C)cnn1C 76421 XYBREHXBDKRBLP-UHFFFAOYSA-N 278.272 0.300 5 50 CCBA CNC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 237103424 HTZVMVMDTFBZDM-UHFFFAOYSA-N 299.352 0.967 5 50 CCBA Cc1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1 247940902 UQLDNZUUGCNIGG-DNJOBQDOSA-N 298.295 0.143 5 50 CCBA C[C@@H](CN)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 170051037 GNSSAZLLUXBIPU-QMMMGPOBSA-N 273.314 0.563 5 50 CCBA N[C@@H](Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(=O)O 12428290 SAZOSDSFLRXREA-YFKPBYRVSA-N 271.185 0.163 5 50 CCBA in-vitro Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 388516509 IQIZROWGKMVKTN-CIQUZCHMSA-N 264.285 0.534 5 50 CCBA O=CN[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O 4673292 HPCIVXXCNSHKNU-SSDOTTSWSA-N 254.198 0.042 5 50 CCBA NC1=NC(=O)C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)S1 4681222 SWIODBZZKHTHIJ-MRVPVSSYSA-N 294.292 0.880 5 50 CCBA CC(=O)Nc1ccc2nc3c(=O)n(C)c(=O)n(C)c3nc2c1 502037 JRMBEELGYJQJQY-UHFFFAOYSA-N 299.290 0.139 5 50 CCBA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 247856386 UKAKOBHHLONQLK-LVGGVBNSSA-N 282.296 0.356 5 50 CCBA Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 35832770 SOGHFZISMOPZGY-UHFFFAOYSA-N 299.352 0.839 5 50 CCBA O=C(Cn1ncsc1=O)Nc1ccccc1[N+](=O)[O-] 170606276 MPQWBDHTOLVLBU-UHFFFAOYSA-N 280.265 0.852 5 50 CCBA CN(C)[C@H]1CCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 584906809 IOFBFUUSCIPFOF-NEPJUHHUSA-N 295.343 0.780 5 50 CCBA NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1Cl 4521326 ACYLUAGCBGTEJF-UHFFFAOYSA-N 280.645 0.594 5 50 CCBA in-vitro O=C(O)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 1758360 NOJZBJAFCSWMKC-VIFPVBQESA-N 296.235 0.643 5 50 CCBA in-vitro CC(=O)Oc1ccc(N2C(=O)C=CC2=O)cc1[N+](=O)[O-] 307559 QSDAYUSKKQONNX-UHFFFAOYSA-N 276.204 0.950 5 50 CCBA C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 347028 VUHUHCNGEHTIQR-ZETCQYMHSA-N 260.271 0.254 5 50 CCBA O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2CN3)cc1 601345779 GRVGILRUPYCIMW-WPRPVWTQSA-N 283.309 0.330 5 50 CCBA C[C@H]1CNCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 262756031 HYIWLTKMUADBMC-UWVGGRQHSA-N 299.352 0.871 5 50 CCBA COCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 2744783 ZVUMKPOHUKPDGD-UHFFFAOYSA-N 274.298 0.910 5 50 CCBA CC(=O)OC[C@H](N)C(=O)OCc1ccc([N+](=O)[O-])cc1 221683353 NJILEBGHKGZBKX-NSHDSACASA-N 282.252 0.528 5 50 CCBA CC(C)(C(N)=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 225521802 RGESJZYJRQKNHX-UHFFFAOYSA-N 265.269 0.723 5 50 CCBA Cc1ccc(C(=O)N2CCN(C=O)CC2)cc1[N+](=O)[O-] 447366 NEYYNBGVZCFTBY-UHFFFAOYSA-N 277.280 0.817 5 50 CCBA CN1CCN(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 2849865 KZKIBJLFCPUSAJ-UHFFFAOYSA-N 294.311 0.252 5 50 CCBA CN(C)c1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1 179096272 JNJWQCICUPWVHQ-UHFFFAOYSA-N 265.229 0.254 5 50 CCBA CN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 44136757 FHCBQVXMPXBMOW-UHFFFAOYSA-N 264.285 0.565 5 50 CCBA in-vitro COc1ccc([N+](=O)[O-])cc1N(CCO)CCO 3056998 CEAKEZNADDWDSZ-UHFFFAOYSA-N 256.258 0.394 5 50 CCBA C[C@H](CN)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 447241610 BHLLQOUAQSYWCY-MRVPVSSYSA-N 273.314 0.468 5 50 CCBA O=C(N[C@H]1CCCC[C@@H]1CO)c1n[nH]cc1[N+](=O)[O-] 170070422 KPVSLTSXRQUDDI-SFYZADRCSA-N 268.273 0.599 5 50 CCBA NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 435991 WTRQTFDCQZCLFL-UHFFFAOYSA-N 277.280 0.932 5 50 CCBA O=C(O)C[S@](=O)CC(=O)Nc1ccccc1[N+](=O)[O-] 5717502 GVCLFLUFHAQNRR-IBGZPJMESA-N 286.265 0.367 5 50 CCBA CC(CO)(CO)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3877758 KNOHINYZYNTSQO-UHFFFAOYSA-N 271.229 0.658 5 50 CCBA NCC(F)(F)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 162645457 GQQKLDZQKVBKPR-UHFFFAOYSA-N 295.267 0.467 5 50 CCBA CN1C(=O)[C@@](O)(N2CCOCC2)c2cc([N+](=O)[O-])ccc21 4427297 IWWASSCFQIDPRP-CYBMUJFWSA-N 293.279 0.049 5 50 CCBA Cc1cc(N2CC[C@](O)(C(N)=O)C2)ccc1[N+](=O)[O-] 170606536 DCWKGNBTGQAOLN-GFCCVEGCSA-N 265.269 0.330 5 50 CCBA O=[N+]([O-])c1ccccc1OCCN1C[C@H](O)C[C@H]1CO 245763349 ZYVQVEPLCZDFTN-WDEREUQCSA-N 282.296 0.401 5 50 CCBA O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCO1 53502 NDBAWDSSBONYMP-VIFPVBQESA-N 254.246 0.087 5 50 CCBA C[C@@H]1CNCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 262756029 HYIWLTKMUADBMC-NXEZZACHSA-N 299.352 0.871 5 50 CCBA CCOC(=O)[C@@H](N)Cc1ccc(O)c([N+](=O)[O-])c1 4521734 VDFGKWYGLJURQQ-QMMMGPOBSA-N 254.242 0.733 5 50 CCBA in-vitro O=S1(=O)CC[N+]2(CCC3(CCCCO3)CC2)CC1 1615610639 MASCHELATIRLOP-UHFFFAOYSA-N 274.406 0.965 5 50 CCBA O=[N+]([O-])c1cc([N+](=O)[O-])c2no[n+]([O-])c2c1Cl 139730627 MPAKVNRHSJKKQU-UHFFFAOYSA-N 260.549 0.931 5 50 CCBA CC(C)(C)N1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1=O 548954247 LWYWDVAHRCJQPT-ZETCQYMHSA-N 295.299 0.447 5 50 CCBA O=C1CN(CCCNc2ncc(F)cc2[N+](=O)[O-])CCN1 585092802 OFHKGUZFJPPEKK-UHFFFAOYSA-N 297.290 0.363 5 50 CCBA O=C(O)c1cc([N+](=O)[O-])c(NCCO)c([N+](=O)[O-])c1 3878796 KDRIZFZYAPCUSW-UHFFFAOYSA-N 271.185 0.605 5 50 CCBA CN[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 129010491 XKECTWOQBVELGW-SECBINFHSA-N 285.325 0.577 5 50 CCBA COC(=O)c1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1 209646 GJIJKYKQCXKFFX-UHFFFAOYSA-N 294.263 0.854 5 50 CCBA NC1=NC(=O)C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)S1 1822228 VNTWMEXDMPXWRG-MRVPVSSYSA-N 294.292 0.880 5 50 CCBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nn1cnnc1 5041912 IYTJKLNXJPYZDY-UHFFFAOYSA-N 278.228 0.971 5 50 CCBA Cc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(C)(=O)=O 555115 TVWLZPZRTGQSBY-UHFFFAOYSA-N 288.281 0.754 5 50 CCBA O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCOCC1 4561403 DPJQYITZDFYLGA-UHFFFAOYSA-N 292.339 0.841 5 50 CCBA CCN(C)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 264929047 RWUJJNHHJJSOPH-UHFFFAOYSA-N 269.305 0.249 5 50 CCBA NC(=O)c1cc([N+](=O)[O-])ccc1N1CCNCC1 4755259 YBOIQHSVDGYNNM-UHFFFAOYSA-N 250.258 0.103 5 50 CCBA COc1ccc([C@@H]2[C@@H](O)[C@H](O)[C@H](C)[N+]2(C)C)cc1OC 1772493141 QGJMCYCZPPSDJM-PSQHIMEXSA-N 282.360 0.945 5 50 CCBA CCOC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 280947 YWXUNEVKOCEMRO-UHFFFAOYSA-N 278.220 0.754 5 50 CCBA N[C@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O 4069929 WMZTYIRRBCGARG-SECBINFHSA-N 267.241 0.725 5 50 CCBA O=c1[nH]cc([N+](=O)[O-])cc1I 12957427 DPHDSYLWPVMRTM-UHFFFAOYSA-N 265.994 0.888 5 50 CCBA in-vitro O=C1CC[C@@H](N2Cc3c(cccc3[N+](=O)[O-])C2=O)C(=O)N1 28530199 JKPJLYIGKKDZDT-SNVBAGLBSA-N 289.247 0.356 5 50 CCBA in-vitro Nc1ncnc(NCCCn2ccnc2)c1[N+](=O)[O-] 3912546 DNDYUIIBLIVPRG-UHFFFAOYSA-N 263.261 0.666 5 50 CCBA CCS(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1 4688295 NEZOBNGVDAUXPI-UHFFFAOYSA-N 273.314 0.946 5 50 CCBA C[C@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4955682 ZVYGJWZRLBIBOP-ZETCQYMHSA-N 260.271 0.254 5 50 CCBA CC(=O)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C(C)C 585087779 PGNGHTIFPLBGHJ-UHFFFAOYSA-N 268.273 0.617 5 50 CCBA O=[N+]([O-])c1cc(S(=O)(=O)N2CC3(C2)N=N3)ccc1O 1775991100 PLVHHUZFDGVHBS-UHFFFAOYSA-N 284.253 0.467 5 50 CCBA NC[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 131728221 MRKYKSZVCFYHKD-SNVBAGLBSA-N 285.325 0.707 5 50 CCBA C[C@@H](C(=O)NC[C@@H]1CCCO1)n1cc([N+](=O)[O-])cn1 1068998 CLPFGJUEERUWJN-WPRPVWTQSA-N 268.273 0.648 5 50 CCBA NNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 4582348 UZFOGMJNEGHLAD-UHFFFAOYSA-N 267.213 0.877 5 50 CCBA O=C(NC1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1)C1CCC1 170620499 IJLZOFRDOISHIP-NEPJUHHUSA-N 295.339 0.559 5 50 CCBA Cc1cc([N+](=O)[O-])cc2c1NC(=O)[C@@]2(O)N1CCOCC1 5015792 LLQANBYCBIAPTJ-CYBMUJFWSA-N 293.279 0.333 5 50 CCBA CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 35982135 LLTMHDQEWCGGDU-UHFFFAOYSA-N 285.325 0.531 5 50 CCBA NC(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 1071152 FEXDLJJVPZFQLA-UHFFFAOYSA-N 289.251 0.529 5 50 CCBA CC(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1 4899549 CZAFZGHQNCYTDG-JTQLQIEISA-N 295.251 0.513 5 50 CCBA C[C@H]1[C@H](CO)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 424055821 FZVUVDOKBPXEQZ-UWVGGRQHSA-N 282.300 0.411 5 50 CCBA CCOC(=O)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] 170615442 TUBIURRIZNOVQP-UHFFFAOYSA-N 282.252 0.983 5 50 CCBA N=c1c([N+](=O)[O-])n[nH]c2nc(-c3ccccc3)nn12 100291181 LWXUGKWYQZHZDE-UHFFFAOYSA-N 257.213 0.507 5 50 CCBA CC[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(OC)OC 408515221 IPSNJPGETSLWND-VIFPVBQESA-N 286.288 0.305 5 50 CCBA COC(=O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 59363 VKNAKVQNFOZEDQ-UHFFFAOYSA-N 288.281 0.388 5 50 CCBA Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@@H]1O 245380176 SMOCAIOGNVIDED-DNJOBQDOSA-N 298.295 0.143 5 50 CCBA Nc1c(C(=O)NCCCO)cc([N+](=O)[O-])cc1[N+](=O)[O-] 3878388 CMONHCXBCWRJIZ-UHFFFAOYSA-N 284.228 0.197 5 50 CCBA COC(=O)c1nc2ncc(-c3n[nH]cc3[N+](=O)[O-])cn2n1 1230168 LMKAYFLQWOJPOE-UHFFFAOYSA-N 289.211 0.209 5 50 CCBA O=C(CCN(CCO)CCO)c1ccc([N+](=O)[O-])cc1 25503912 WTSZIJQJJOVGMZ-UHFFFAOYSA-N 282.296 0.454 5 50 CCBA O=C(c1ccc([N+](=O)[O-])cc1)N(CCO)CCO 241037 YPJBWGHOTZQGDW-UHFFFAOYSA-N 254.242 0.022 5 50 CCBA Cc1c(C(=O)NN2CCN(C)CC2)cccc1[N+](=O)[O-] 4611073 PXMRRSUNQSZGFI-UHFFFAOYSA-N 278.312 0.795 5 50 CCBA O=C(C[C@@H]1NCCNC1=O)Nc1cccc([N+](=O)[O-])c1 4702800 RBOCNWCDURNZFQ-JTQLQIEISA-N 278.268 0.011 5 50 CCBA O=C(N[C@H](CO)Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] 120346457 SPAAMSXEJMIJCS-JTQLQIEISA-N 290.279 0.651 5 50 CCBA O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccccn1 4820826 MMIVPESNQVUVLN-UHFFFAOYSA-N 261.241 0.503 5 50 CCBA Cc1nc(N(C)Cc2nc(O)n[nH]2)ccc1[N+](=O)[O-] 1775993420 QGKQUVJWBPQSQP-UHFFFAOYSA-N 264.245 0.758 5 50 CCBA C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 4984984 HYJCTEWPGQGLRQ-ZCFIWIBFSA-N 274.254 0.346 5 50 CCBA C[C@H](N)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 132293205 CAMFJKQJGYRDAN-VHSXEESVSA-N 299.352 0.953 5 50 CCBA CCOC(=O)[C@H]1CCCN(c2ncnc(N)c2[N+](=O)[O-])C1 3912655 PXAVWSBORIKKPX-QMMMGPOBSA-N 295.299 0.747 5 50 CCBA CCn1nnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 557635 UEQVQIKFSJOBRD-UHFFFAOYSA-N 292.255 0.619 5 50 CCBA O=c1[nH]c2cc(N3CCNCC3)c([N+](=O)[O-])cc2[nH]1 4458469 AGRMMFLRPASFFO-UHFFFAOYSA-N 263.257 0.174 5 50 CCBA O=C(O)C[C@@H](Nc1ccccc1[N+](=O)[O-])C(=O)O 124327708 RWSDSNMBLLDYCJ-SSDOTTSWSA-N 254.198 0.935 5 50 CCBA COC(=O)c1nn(C2CCOCC2)cc1[N+](=O)[O-] 143662337 PJHVLQQXTSMYFA-UHFFFAOYSA-N 255.230 0.929 5 50 CCBA CCOc1cc(N2CCN[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] 356511983 XIUURQUNZLNKNI-JTQLQIEISA-N 294.311 0.257 5 50 CCBA O=C1CC[C@H](N2Cc3c(cccc3[N+](=O)[O-])C2=O)C(=O)N1 28530201 JKPJLYIGKKDZDT-JTQLQIEISA-N 289.247 0.356 5 50 CCBA in-vitro Cn1cnnc1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] 162557 LMNMRAJJPLVKJE-UHFFFAOYSA-N 282.281 0.697 5 50 CCBA O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccccn1 1067347 DLJPQDOQGHMUTL-UHFFFAOYSA-N 261.241 0.503 5 50 CCBA COc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCOCC1 4761477 FLHXVCYCNKWSAX-UHFFFAOYSA-N 296.279 0.841 5 50 CCBA N[C@H](Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(=O)O 12428291 SAZOSDSFLRXREA-RXMQYKEDSA-N 271.185 0.163 5 50 CCBA in-vitro C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1N 225327400 KLWCCBQOPNMWFX-JOYOIKCWSA-N 299.352 0.953 5 50 CCBA Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 388516512 IQIZROWGKMVKTN-OEZYJKACSA-N 264.285 0.534 5 50 CCBA COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 6734847 FNDDMTOOYJOXAW-UHFFFAOYSA-N 278.220 0.754 5 50 CCBA Cc1nn2cc(-c3n[nH]cc3[N+](=O)[O-])cnc2c1C(N)=O 4809674 NLIZUBBZWBEWGT-UHFFFAOYSA-N 287.239 0.435 5 50 CCBA CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 408072533 NLLREEWQOABLML-JTQLQIEISA-N 281.316 0.730 5 50 CCBA O=C(Cn1cc([N+](=O)[O-])cn1)N1CCSCC1 4821259 NAWIWTSGSSBGNV-UHFFFAOYSA-N 256.287 0.367 5 50 CCBA O=[N+]([O-])c1cnc(N2CCC[C@H](c3nnn[nH]3)C2)nc1 161013893 VYICXQZIKHOKLC-ZETCQYMHSA-N 276.260 0.282 5 50 CCBA C[C@@H](N(C)C(=O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)O 296756361 CIPDBNXGULPONQ-MRVPVSSYSA-N 270.289 0.409 5 50 CCBA NS(=O)(=O)CCCNc1c(F)cc([N+](=O)[O-])cc1F 170684641 QHUXEZKDFQGPOI-UHFFFAOYSA-N 295.267 0.964 5 50 CCBA O=C(Cn1cc([N+](=O)[O-])cn1)N(C1CC1)C1COC1 295859407 WVPIYLOOQNCQSQ-UHFFFAOYSA-N 266.257 0.181 5 50 CCBA C[C@H]1OCC[C@]1(C)NC(=O)c1c([N+](=O)[O-])cnn1C 408190055 ZNQXUBDWAWMKRE-HQJQHLMTSA-N 268.273 0.626 5 50 CCBA O=C1c2ccccc2C(=O)N1CC[C@H](O)C[N+](=O)[O-] 477277 PJUVZZCSBFTSAT-QMMMGPOBSA-N 264.237 0.310 5 50 CCBA COCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2874893 QYTUYKZYCSGNES-UHFFFAOYSA-N 269.213 0.879 5 50 CCBA C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@@]2(CCOC2)O1 280287126 QEGARBUKVKZGBY-BXKDBHETSA-N 282.300 0.713 5 50 CCBA Cc1cc(N2CC(OCCO)C2)ncc1[N+](=O)[O-] 952963913 NIOPFXZXNYOVPY-UHFFFAOYSA-N 253.258 0.496 5 50 CCBA NC(=O)c1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 1068807 MWXLOVJLEKNIOS-UHFFFAOYSA-N 289.251 0.529 5 50 CCBA COCCN1CN(c2cc(C)c([N+](=O)[O-])cn2)CC1=O 283046225 RUYICEZZXCADPG-UHFFFAOYSA-N 280.284 0.551 5 50 CCBA CCOc1cc(N2CC[C@@](O)(C(N)=O)C2)ccc1[N+](=O)[O-] 170606539 URCFBIFTJOMJLC-ZDUSSCGKSA-N 295.295 0.420 5 50 CCBA COC[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 455810 HVYCSFINUTUHOA-MRVPVSSYSA-N 274.298 0.908 5 50 CCBA COc1ccc(CS(=O)(=O)CC(=O)O)cc1[N+](=O)[O-] 2540045 ZHUCRFJQVSHBJR-UHFFFAOYSA-N 289.265 0.603 5 50 CCBA O=[N+]([O-])c1ccc(S(=O)(=O)NN2CCOCC2)cc1 460491 LXDVDPNKLHIGAZ-UHFFFAOYSA-N 287.297 0.120 5 50 CCBA NC(=O)[C@H](NC(=O)[C@H]1C[C@H]1[N+](=O)[O-])c1ccccc1F 240465830 GAQHHKNGWRIYLA-FXBDTBDDSA-N 281.243 0.134 5 50 CCBA CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1COC1 1615588201 ZAGNRGLFAHDOGR-UHFFFAOYSA-N 265.269 0.864 5 50 CCBA O=C1CSC(NC(=O)c2cccc([N+](=O)[O-])c2)=N1 1316658 CIMOJFWYUXWEAF-UHFFFAOYSA-N 265.250 0.954 5 50 CCBA O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCc2n[nH]cc2C1 952893000 QSQMJEUFXRFPHZ-PSASIEDQSA-N 250.258 0.350 5 50 CCBA COC[C@]1(C(=O)OC)CCCN1c1ncc([N+](=O)[O-])cn1 585098810 DSTUUXZAPJTSLS-LBPRGKRZSA-N 296.283 0.543 5 50 CCBA CCC[C@H](O)[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 596273395 PJHDTZMFYGDEFN-JQWIXIFHSA-N 297.311 0.628 5 50 CCBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCNCC2)cc1 34781234 LIZLJILNEOVKMR-UHFFFAOYSA-N 271.298 0.189 5 50 CCBA in-vitro O=C(NCC1CCC2(CC1)OCCO2)[C@@H]1C[C@@H]1[N+](=O)[O-] 170650258 FOARQHNFVUEODM-MNOVXSKESA-N 284.312 0.701 5 50 CCBA C[C@H](CC(=O)O)CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 2580736 HFCPFJNSBPQJDP-NXEZZACHSA-O 290.336 0.580 5 50 CCBA endogenous,in-man COc1ccc(N[C@@H]2C[C@H](O)[C@H](CO)O2)c([N+](=O)[O-])c1 33838017 SFCLGTXYVJBYGH-SRVKXCTJSA-N 284.268 0.484 5 50 CCBA COC(=O)C(C(=O)OC)c1ncccc1[N+](=O)[O-] 78700 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0.029 5 50 CCBA O=C(O)c1ccc(N2CCN(CCO)CC2)c([N+](=O)[O-])c1 4819316 BOURMTXDVRABCW-UHFFFAOYSA-N 295.295 0.407 5 50 CCBA COCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 4993525 AYICNPLZWIIIDT-UHFFFAOYSA-N 274.298 0.828 5 50 CCBA Cc1cc(NC[C@@H]2CC[C@@H](C(N)=O)O2)ncc1[N+](=O)[O-] 253421030 OLMSMYCQXQADGS-WPRPVWTQSA-N 280.284 0.743 5 50 CCBA CN1C[C@@]2([N+](=O)[O-])C[C@]([N+](=O)[O-])(CC=C2Cl)C1 19787108 BMBIGPHAIRCTCY-BDAKNGLRSA-N 261.665 0.879 5 50 CCBA C[C@@H]1OC(=O)N[C@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] 496791291 NCOVTTZUKXGFTK-QUBYGPBYSA-N 296.235 0.841 5 50 CCBA CS(=O)(=O)Oc1cc(C(=O)O)ccc1[N+](=O)[O-] 2170603 OOPLDJVSQRETSW-UHFFFAOYSA-N 261.211 0.631 5 50 CCBA COCCNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 2055630 BTGWASFWPLKSOM-UHFFFAOYSA-N 256.262 0.171 5 50 CCBA CCn1nnc(NC(=O)c2ccc([N+](=O)[O-])o2)n1 1123647 YRTAACQWZGOVPA-UHFFFAOYSA-N 252.190 0.447 5 50 CCBA C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC(=O)N1C 283671551 YGEFCPRWKSTGAM-SSDOTTSWSA-N 251.246 0.052 5 50 CCBA CN(C)CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 188521937 XDPOFBMHXLSCOM-UHFFFAOYSA-N 279.296 0.746 5 50 CCBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H]2CNCC[C@H]21 725274167 DUUIXIHKLMAEGX-NXEZZACHSA-N 297.336 0.577 5 50 CCBA O=[N+]([O-])c1ccc(N2CCOCC2)c2nonc12 4006690 PPMKRWMGEQTTQI-UHFFFAOYSA-N 250.214 0.968 5 50 CCBA CN1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 5063715 MQWNKLSQQGGTOH-UHFFFAOYSA-N 278.312 0.781 5 50 CCBA CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)CO 293987818 NLYOUNBFDFPUOD-QMMMGPOBSA-N 256.262 0.021 5 50 CCBA Cn1nccc1CCNC(=O)c1cc([N+](=O)[O-])ccc1N 170605231 PSZZAQICHGCTQZ-UHFFFAOYSA-N 289.295 0.883 5 50 CCBA O=C(NCC1CCC2(CC1)OCCO2)[C@@H]1C[C@H]1[N+](=O)[O-] 170650262 FOARQHNFVUEODM-GHMZBOCLSA-N 284.312 0.701 5 50 CCBA Cn1cc(C[C@H](CO)CNc2ncccc2[N+](=O)[O-])cn1 585092052 CNYODNWZBWXSFL-NSHDSACASA-N 291.311 0.986 5 50 CCBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)O 4993662 GISWIXLYKWWBTE-UHFFFAOYSA-N 274.254 0.266 5 50 CCBA Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCOCC3)cc21 3904425 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O=[N+]([O-])c1nccn1C[C@@H](O)CN1CCCCC1 1571940 WVWOOAYQYLJEFD-JTQLQIEISA-N 254.290 0.638 5 50 CCBA investigational O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)C3CC3)CC2)nc1 1615538822 JNIAQEVTNMVKRE-ZDUSSCGKSA-N 292.339 0.883 5 50 CCBA COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H](C)OC 952882845 KNVCNEAXCVPEKE-LURJTMIESA-N 255.230 0.972 5 50 CCBA O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4699498 ZGWVXVSSOFVVGO-LLVKDONJSA-N 293.279 0.829 5 50 CCBA Cc1nn([C@@H](C)C(=O)N2CCOCC2)c(C)c1[N+](=O)[O-] 1070366 KDGBJCLELRPNNQ-JTQLQIEISA-N 282.300 0.828 5 50 CCBA CN(C)[C@H]1CCCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 584906811 IOFBFUUSCIPFOF-RYUDHWBXSA-N 295.343 0.780 5 50 CCBA Cc1cc(NC[C@H]2CC[C@@H](C(N)=O)O2)ncc1[N+](=O)[O-] 253421026 OLMSMYCQXQADGS-SCZZXKLOSA-N 280.284 0.743 5 50 CCBA Cn1c(=O)n(C)c2nc([N+](=O)[O-])c(Br)cc21 2351710 NBESRZIJLLMQKX-UHFFFAOYSA-N 287.073 0.943 5 50 CCBA CN(C)S(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1 4687369 PWFOHJOKVBKMPP-UHFFFAOYSA-N 288.329 0.403 5 50 CCBA Cc1noc(Cn2cc([N+](=O)[O-])cc(C)c2=O)n1 225479097 JAYJSBLZOWDFKL-UHFFFAOYSA-N 250.214 0.805 5 50 CCBA CN(CCCN)S(=O)(=O)c1ccccc1[N+](=O)[O-] 115055809 GBKJSOXSDQLRED-UHFFFAOYSA-N 273.314 0.564 5 50 CCBA CCO[C@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 170614998 JRMXBFRWTOHODX-UWVGGRQHSA-N 251.242 0.897 5 50 CCBA O=C(C[C@@H]1NCCNC1=O)Nc1ccc([N+](=O)[O-])cc1 4223134 RVIJHYPVAVITQN-JTQLQIEISA-N 278.268 0.011 5 50 CCBA Cc1cc(=O)c2n(Cc3ccccc3[N+](=O)[O-])nc[n+]2[nH]1 16268888 HLTZBJIDDSYJRZ-UHFFFAOYSA-O 286.271 0.575 5 50 CCBA COC(=O)[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 2461932 FLPRTIQKJNVQMG-QMMMGPOBSA-N 282.252 0.651 5 50 CCBA C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C 1530820 AXOIZCJOOAYSMI-UHFFFAOYSA-N 290.404 0.265 5 50 CCBA fda O=[N+]([O-])c1c(N2CCN[C@@H](CO)C2)ccc2ncccc12 952994466 PPRDOUHZSGRKJP-SNVBAGLBSA-N 288.307 0.914 5 50 CCBA CC1(C)Cc2n[nH]cc2CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 952892209 LLHCYBNFDNKBOA-MWLCHTKSSA-N 278.312 0.986 5 50 CCBA COC(=O)C(C(=O)OC)c1ncc(C)cc1[N+](=O)[O-] 169725198 FGUFJNIXIWWCHB-UHFFFAOYSA-N 268.225 0.728 5 50 CCBA COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)O 5998897 OWVYIQJYENXHSX-UHFFFAOYSA-N 255.182 0.879 5 50 CCBA Cc1cc(NC[C@H]2CC[C@H](C(N)=O)O2)ncc1[N+](=O)[O-] 253421023 OLMSMYCQXQADGS-PSASIEDQSA-N 280.284 0.743 5 50 CCBA CNS(=O)(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F 165959609 WFOSGTNBNISVKE-UHFFFAOYSA-N 277.277 0.708 5 50 CCBA Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC(=O)N(C)C2=O)n1 253430712 NIYFDGQCVARNGI-QMMMGPOBSA-N 278.268 0.776 5 50 CCBA CN(C)c1cc(F)c(C(=O)N2CC=C(N)N2)cc1[N+](=O)[O-] 887556434 OKADVYCUZVCORY-UHFFFAOYSA-N 295.274 0.560 5 50 CCBA O=[N+]([O-])c1ccc([C@H](O)C23CN4CN(CN(C4)C2)C3)cc1 19318994 MLQRKNIXSOEBMC-ZDUSSCGKSA-N 290.323 0.434 5 50 CCBA Cc1ncc([N+](=O)[O-])n1CCOc1nonc1N 1060317 HASOVGMCJWMVMT-UHFFFAOYSA-N 254.206 0.144 5 50 CCBA CC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 174042 PIVQDUYOEIAFDM-MNOVXSKESA-N 254.242 0.125 5 50 CCBA biogenic Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O 245380174 SMOCAIOGNVIDED-AJSQTZRNSA-N 298.295 0.143 5 50 CCBA C[C@@H](C(=O)/N=c1\[nH]cn[nH]1)c1ccc([N+](=O)[O-])cc1 5954455 DZZDPZKEIKWDFO-SSDOTTSWSA-N 261.241 0.877 5 50 CCBA CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1(CO)CC1 588857151 ICQMCTAZTGIDTI-UHFFFAOYSA-N 266.253 0.897 5 50 CCBA CCOC(=O)Cn1cc([N+](=O)[O-])s/c1=N\C(=O)CC 71771558 DGCBYFWQDYTDQO-KHPPLWFESA-N 287.297 0.858 5 50 CCBA Cn1cnc([N+](=O)[O-])c1N1CC(=O)N(C2CC2)C1 408450632 HWHKZKDWMKODQQ-UHFFFAOYSA-N 251.246 0.097 5 50 CCBA Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H](O)[C@@H](CO)O1 16667289 YKYQIOUXQJGQKF-TUAOUCFPSA-N 268.269 0.783 5 50 CCBA COC(=O)[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 2461933 FLPRTIQKJNVQMG-MRVPVSSYSA-N 282.252 0.651 5 50 CCBA Cn1c(-c2ccc([N+](=O)[O-])o2)nnc1S(C)(=O)=O 33754436 BOBQQFAKASIJKC-UHFFFAOYSA-N 272.242 0.387 5 50 CCBA O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN[C@@H](CO)C1 952883645 OLFSHALAYJJZMT-SNVBAGLBSA-N 280.284 0.393 5 50 CCBA COC[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CCO1 408518363 DAVDMGPBVQBXDA-QMMMGPOBSA-N 268.273 0.424 5 50 CCBA O=C1CC(N2CCOCC2)=NN1c1ccc([N+](=O)[O-])cc1 17723447 ATQHBJIOMUCHEA-UHFFFAOYSA-N 290.279 0.977 5 50 CCBA O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2)CCCN1CCO 133173990 FHKOZOLQWZETIT-LBPRGKRZSA-N 279.296 0.990 5 50 CCBA CN1C(=O)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O 170600349 HZMCZKSRDMQISK-UHFFFAOYSA-N 292.251 0.427 5 50 CCBA COC(=O)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O 3895466 CRMWXYZOQXJLQI-UHFFFAOYSA-N 260.227 0.029 5 50 CCBA CC(=O)N[C@H](COC(C)=O)C(=O)c1ccc([N+](=O)[O-])cc1 71771036 HRGZUDGIIKHEEX-GFCCVEGCSA-N 294.263 0.845 5 50 CCBA CS(=O)(=O)c1cc(N2CCNCC2)ccc1[N+](=O)[O-] 42684439 FHEOTKKERXQVSW-UHFFFAOYSA-N 285.325 0.408 5 50 CCBA in-vitro O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCC[C@@H]1CO 153962087 HJRIBZLWQQOVIQ-SECBINFHSA-N 266.253 0.897 5 50 CCBA C[C@H]1OCC[C@@]1(C)NC(=O)c1c([N+](=O)[O-])cnn1C 408190056 ZNQXUBDWAWMKRE-RDDDGLTNSA-N 268.273 0.626 5 50 CCBA CC[C@H]1[C@H](CO)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 331342681 YVKLMHZPUUZLKQ-ONGXEEELSA-N 282.300 0.411 5 50 CCBA