smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(COC(=O)CNC(=O)c1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 2641501 WTEHFRYUYNPVTI-UHFFFAOYSA-N 414.399 2.116 5 40 HEBB CNS(=O)(=O)c1ccc(NC[C@@H](c2ccc(OC)cc2)N(C)C)c([N+](=O)[O-])c1 5688410 QMPYDWJUXPTVJJ-SFHVURJKSA-N 408.480 2.226 5 40 HEBB CCCn1nnc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 17091432 FVJKHEIFZKNUPY-UHFFFAOYSA-N 418.483 2.108 5 40 HEBB C[C@H]1CN(c2ccc(NC(=O)CN3C[C@@H](C)O[C@H](C)C3)cc2[N+](=O)[O-])C[C@@H](C)O1 23673995 OVKBQVHTBUJAAS-FPCVCCKLSA-N 406.483 2.256 5 40 HEBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc([N+](=O)[O-])cc1 59387092 XOHBOSSSNCGTJL-ZDUSSCGKSA-N 413.342 2.282 5 40 HEBB COc1cccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@@H]23)c1OC 102556981 UWXKKHUMNBVSTH-MAUKXSAKSA-N 411.370 2.213 5 40 HEBB COc1ccc(CCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220405725 YAMREBGTGUCMEJ-CQSZACIVSA-N 421.475 2.117 5 40 HEBB CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](c4ccccc4)C[C@@H]32)C1=O 9128881 IGIWMSQJNVGVPB-QXATTWAWSA-N 420.425 2.208 5 40 HEBB COc1ccc(C)cc1NC(=O)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 13022557 VGUJGJIHNNVQJD-UHFFFAOYSA-N 407.448 2.446 5 40 HEBB CCOc1cccc(CNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 44845623 VZXDRLYXFICUEH-UHFFFAOYSA-N 421.475 2.384 5 40 HEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC[C@@H](C)c1ccccc1)S(C)(=O)=O 223882057 FOMDEQODPIVUME-CQSZACIVSA-N 421.475 2.289 5 40 HEBB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1[N+](=O)[O-] 409101908 ZMJHEIRWCBXEKG-OQLLNIDSSA-N 410.386 2.443 5 40 HEBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 20239101 GHMFLDIEBOXHAF-QGZVFWFLSA-N 419.459 2.085 5 40 HEBB CS(=O)(=O)N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc21 20452149 QTXSOUXQTZQGKB-HNNXBMFYSA-N 411.823 2.414 5 40 HEBB COC(=O)CCN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccn1 5525228 NWIUVDUFFFLHFT-UHFFFAOYSA-N 414.418 2.036 5 40 HEBB C[C@@H](CCc1ccccc1)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 9667722 UWPCREPRJSASJQ-HNNXBMFYSA-N 405.476 2.498 5 40 HEBB CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16940278 SMYBRYXJNMYXQZ-VXGBXAGGSA-N 413.408 2.469 5 40 HEBB O=C(O)/C=C\C(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1 55051880 KUAURMNKNUGBDA-ARJAWSKDSA-N 423.834 2.388 5 40 HEBB Cc1ccc(NC(=O)CNc2ccc(F)c([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C 6543037 VUXFOHDFECHABO-UHFFFAOYSA-N 410.427 2.343 5 40 HEBB COc1cc(/C=C2\NC(=O)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408739063 SJAZSZVWMPXTPP-WDZFZDKYSA-N 400.303 2.484 5 40 HEBB COc1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OC 3412711 VSILTISWUGPMLK-UHFFFAOYSA-N 403.343 2.423 5 40 HEBB COC(=O)c1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 220032259 OUEUUVKTXKOUMT-UHFFFAOYSA-N 421.431 2.095 5 40 HEBB COc1cccc2c1CN(CC(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 1170342493 OESAUFZIOKSZCE-UHFFFAOYSA-N 410.474 2.310 5 40 HEBB CNc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 18125868 BFWJOOWDMSGDKB-UHFFFAOYSA-N 415.425 2.172 5 40 HEBB C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2)CC1 32440594 ZNQAJRVGOQCYOJ-INIZCTEOSA-N 404.492 2.084 5 40 HEBB COc1ccccc1CNC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220405471 LCUKEQPEZGSSJG-ZDUSSCGKSA-N 407.448 2.074 5 40 HEBB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225437319 CYVKSOFSDFQELG-CYBMUJFWSA-N 419.409 2.285 5 40 HEBB O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 229856075 WMOIDSVFHDUYQF-FBAVSBLXSA-N 418.409 2.026 5 40 HEBB COC(=O)N1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 9325281 PKKCIPDHSCHDEP-UHFFFAOYSA-N 404.404 2.132 5 40 HEBB Cc1cccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c1[N+](=O)[O-] 16964483 YPOKSYLUATYLTO-SFHVURJKSA-N 411.414 2.170 5 40 HEBB CCN1C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3N=Cc4ccccc4[C@@H]3[C@@H]2C1=O 100690763 AYYWAUVPDVVMLV-MKXGPGLRSA-N 418.409 2.172 5 40 HEBB CCCn1nnc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 32119199 BVABWKKXCUDQDY-UHFFFAOYSA-N 401.408 2.378 5 40 HEBB COC[C@H](C)NS(=O)(=O)c1ccc(Nc2ccc(N(C)C)nc2)c([N+](=O)[O-])c1 32899478 RASDRKKIDPJWIH-LBPRGKRZSA-N 409.468 2.113 5 40 HEBB COc1ccc(CN(C)C(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 220021970 WPCUVAWTNZCWBW-UHFFFAOYSA-N 421.475 2.336 5 40 HEBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1cccs1 225136130 FZQXEDZKHSMTFJ-UHFFFAOYSA-N 400.434 2.423 5 40 HEBB Cc1ccc(C(=O)COC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1[N+](=O)[O-] 5040811 ZFFCTWUSUQEVTQ-RNODOKPDSA-N 417.418 2.130 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20245323 CXOQSLUNCALZAY-UHFFFAOYSA-N 410.427 2.294 5 40 HEBB COc1ccc(C)cc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 409409255 GMNSVFAYEKFFKR-UHFFFAOYSA-N 423.447 2.325 5 40 HEBB C[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccccc21 5957060 VPRZOIANXSPBLK-CQSZACIVSA-N 411.414 2.236 5 40 HEBB COc1ccc(CCNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 10368794 XIDGRTUPGUMDJW-UHFFFAOYSA-N 421.475 2.037 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCc1c(C)nn(C)c1C 29657098 QGFFMWUKLHPIQF-CYBMUJFWSA-N 404.423 2.457 5 40 HEBB CCOC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224777230 AEYRUIYVAOBGQQ-UHFFFAOYSA-N 422.415 2.390 5 40 HEBB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 8038851 ZYEOQLRJEKYIQB-ZDUSSCGKSA-N 413.386 2.138 5 40 HEBB CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc21 9569518 XJPXFLULMVWLPE-UHFFFAOYSA-N 411.461 2.108 5 40 HEBB C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CN1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2=O 12538337 LUVOCZNXJAZVEN-HZPDHXFCSA-N 415.494 2.421 5 40 HEBB CCOC(=O)[C@@H]1CC[C@@H](C(=O)OCC)N1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17139214 SMYBRYXJNMYXQZ-RYUDHWBXSA-N 413.408 2.469 5 40 HEBB O=C(O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 12374662 VIDFYWQCTXRSSE-OAHLLOKOSA-N 406.372 2.151 5 40 HEBB Cn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc21 2430746 IZHJVWMLZYDCAE-UHFFFAOYSA-N 400.847 2.152 5 40 HEBB COc1cccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 4387473 KYJIKTKWAURKAV-IAGOWNOFSA-N 403.416 2.216 5 40 HEBB CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(C)CC3)c(O)n2n1 22854409 YDCPUJKVFKXSLI-HNNXBMFYSA-N 402.480 2.304 5 40 HEBB C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(S(N)(=O)=O)cc1 95462528 IZZDFYHJMHSQHU-NSHDSACASA-N 403.420 2.143 5 40 HEBB CCOC(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 141419043 DRLPOEXOESPDQW-UHFFFAOYSA-N 421.431 2.176 5 40 HEBB CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)CC2)cc1 215726030 ACFIBFOPILJDOA-HXUWFJFHSA-N 422.441 2.252 5 40 HEBB O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccccn2)[C@@](O)(C(F)(F)F)N1 5525225 TUVHGKFBTZZXMO-WOSRLPQWSA-N 410.308 2.094 5 40 HEBB O=C(Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 6269550 AYZIOVRTPPNSES-UHFFFAOYSA-N 410.474 2.323 5 40 HEBB CCOc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2N)c([N+](=O)[O-])c1 12648452 XOTUEAMVKCESFV-UHFFFAOYSA-N 415.435 2.092 5 40 HEBB Cc1nn(CC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)c(C)c1[N+](=O)[O-] 15991148 XLUKBSYQNWYAOR-UHFFFAOYSA-N 400.222 2.470 5 40 HEBB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)c([N+](=O)[O-])c1 4477101 OYWRFZLHQAHENO-HXUWFJFHSA-N 412.402 2.318 5 40 HEBB COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 5020730 AEYRGZBUSYACGI-UHFFFAOYSA-N 415.402 2.132 5 40 HEBB O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)Nc1cc([N+](=O)[O-])ccc1Cl 9716010 HPLBOHGMYNJUKK-UHFFFAOYSA-N 416.777 2.209 5 40 HEBB CCS(=O)(=O)Nc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 24745935 MJOQXOVBEKLPQO-UHFFFAOYSA-N 418.475 2.319 5 40 HEBB COc1ccc(CCn2ccc3nc4ccn(N(C)C)c(=O)c4cc3c2=O)cc1OC 40398682 HZMXKMKXERGWNA-UHFFFAOYSA-N 420.469 2.169 5 40 HEBB NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 59488611 QUUVTCZWSXVDKL-QHHAFSJGSA-N 410.430 2.144 5 40 HEBB COc1ccccc1[C@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224148209 LWVVCIZXMNEWDZ-ZDUSSCGKSA-N 407.448 2.247 5 40 HEBB CC(=O)N1CCc2c(sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 4280383 FJJNNJCQLAWDND-AATRIKPKSA-N 414.443 2.312 5 40 HEBB COc1ccccc1N1C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]2CS(=O)(=O)C[C@H]21 4393624 SFBXONOUYYIQBC-HZPDHXFCSA-N 403.416 2.216 5 40 HEBB CC1(C)O[C@@H]2O[C@@H](COC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4855107 IKRMVZVASOBSSJ-XGYYKPKNSA-N 409.391 2.148 5 40 HEBB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC 16250177 OGFSDAXKUZLNSR-UHFFFAOYSA-N 423.447 2.180 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 101179376 JEKLWIHDPKZGFH-CJKMCJCZSA-N 404.419 2.416 5 40 HEBB COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1 8054865 YJBPXWCXNVTYMV-UHFFFAOYSA-N 406.464 2.156 5 40 HEBB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCc1cc(Cl)c2c(c1)OCO2 25258999 WBEWPSJYXXNTCI-UHFFFAOYSA-N 420.761 2.446 5 40 HEBB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-] 97653877 PNJHRQKEFNWNPS-CXUHLZMHSA-N 401.350 2.393 5 40 HEBB CCCn1nnnc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 17082158 VKVQVPKODNPETF-UHFFFAOYSA-N 401.408 2.378 5 40 HEBB O=C(NC[C@@H]1CCCO1)C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 26170456 BFYIZHQIWZNBBV-KRWDZBQOSA-N 415.450 2.152 5 40 HEBB Cc1nn(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c(C)c1[N+](=O)[O-] 40025009 WMVVPXZFPAHUEY-UHFFFAOYSA-N 421.479 2.221 5 40 HEBB CCS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1cccc([N+](=O)[O-])c1 96520122 RIUSNHBFTBYMHQ-UWVGGRQHSA-N 419.624 2.391 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=CC=NN3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O 104001745 QDGKZHNFOUFZDW-LLLHUVSDSA-N 410.430 2.232 5 40 HEBB CC(=O)OCCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 4891510 RPYNENVCSDNQLV-VBKFSLOCSA-N 401.375 2.028 5 40 HEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1N=CC=C[C@H]21 6922141 MLVLTNRIXBWLPR-VQHPVUNQSA-N 410.430 2.232 5 40 HEBB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc([N+](=O)[O-])c2C)cc1 224900377 UXRQECJQJLRMIZ-UHFFFAOYSA-N 407.404 2.142 5 40 HEBB CC(=O)c1ccc(N2CCN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cc1 16347277 WOVRCVMGPGHITL-UHFFFAOYSA-N 408.414 2.173 5 40 HEBB Cc1cc(C(=O)OCCCNC2=NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] 3583381 HGPGGMHCXSNEPS-UHFFFAOYSA-N 403.416 2.189 5 40 HEBB CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 11666921 GQUYBYKFVBKSCP-UHFFFAOYSA-N 422.375 2.253 5 40 HEBB CCn1cc(NC(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)c(C(N)=O)n1 2809572 QBOUMQKUCAAXQX-UHFFFAOYSA-N 417.813 2.061 5 40 HEBB CCCCSc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C 4139146 ZARLADZNAASEBB-UHFFFAOYSA-N 401.448 2.495 5 40 HEBB COc1ccccc1CN(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 12597683 PQXZJUCEMRZGHG-UHFFFAOYSA-N 421.475 2.261 5 40 HEBB COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]23)c1OC 101276641 HFKWXGCJPXGDAT-QAPCUYQASA-N 411.370 2.213 5 40 HEBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225034645 DIEVDTJFSMWUAF-UHFFFAOYSA-N 409.376 2.180 5 40 HEBB COc1cc(C(=O)N2CCN(c3nccs3)CC2)c([N+](=O)[O-])c(OC)c1OC 11187755 LDIKMTRFXBUMNZ-UHFFFAOYSA-N 408.436 2.040 5 40 HEBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N1CCN(Cc2ccccc2)CC1 19288279 PJAYHDDCKVBTSA-UHFFFAOYSA-N 422.283 2.207 5 40 HEBB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 23077457 CJSCXRIYHDMSAK-UHFFFAOYSA-N 416.409 2.281 5 40 HEBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)C(C)(C)C)CC2)c([N+](=O)[O-])c1 408575439 UZRRZUSAUXGTKJ-UHFFFAOYSA-N 422.507 2.341 5 40 HEBB Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CNC(=O)c2ccccc2F)c1C 7778230 YVMSOAYUHJBEGV-UHFFFAOYSA-N 403.366 2.262 5 40 HEBB CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113893488 YEUPTOMAHQNKKX-UHFFFAOYSA-N 424.431 2.370 5 40 HEBB O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1Cl 941651 BCECMCKKMYRNKP-UHFFFAOYSA-N 417.761 2.026 5 40 HEBB O=C1N=C2N(CCN3CCOCC3)c3ccccc3N2/C1=C/c1ccc([N+](=O)[O-])o1 13514100 HSYHNALSDMEJIV-GHRIWEEISA-N 409.402 2.084 5 40 HEBB CS(=O)(=O)N1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc21 20452151 QTXSOUXQTZQGKB-OAHLLOKOSA-N 411.823 2.414 5 40 HEBB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 32966910 VSRLPMRTBAGVKO-INIZCTEOSA-N 413.430 2.343 5 40 HEBB CCOc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 108022823 FXIBNYIMMCESEN-UHFFFAOYSA-N 423.447 2.407 5 40 HEBB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222482847 QLOYDLRAOBSXKF-OAHLLOKOSA-N 415.446 2.454 5 40 HEBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1 409018312 KUDYBPINGWARPR-NSIKDUERSA-N 424.369 2.163 5 40 HEBB COc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 6896857 AWDOIUFKASVQMP-UHFFFAOYSA-N 415.402 2.236 5 40 HEBB O=C(NC[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 5533987 KNKQDSADXZEVKA-MRXNPFEDSA-N 405.432 2.304 5 40 HEBB 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O=C(O)c1nn(-c2ccccc2[N+](=O)[O-])nc1N1CCN(Cc2ccccc2)CC1 256047900 PFRNMFSLOMDKAP-UHFFFAOYSA-N 408.418 2.196 5 40 HEBB COc1cccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)c1 15952836 AOFFKEBYYJFTTO-KRWDZBQOSA-N 404.444 2.433 5 40 HEBB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@@H]23)c(OC)c1 104046693 CRTQVYUERQDKLA-WMZOPIPTSA-N 411.370 2.213 5 40 HEBB COc1cccc(-c2noc(CNS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c1 223762130 LILWGWPPOMUDMF-UHFFFAOYSA-N 404.404 2.440 5 40 HEBB CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)NC1CC1 5231433 OTPFNDIDSBUOAT-BMIGLBTASA-N 411.842 2.213 5 40 HEBB COc1ccc(CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C2CC2)cc1 26384883 NXMWUQUHYPDHMH-UHFFFAOYSA-N 409.398 2.391 5 40 HEBB COc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCOCC2)ccc1[N+](=O)[O-] 66019666 IRTWOOPGOYOQAZ-UHFFFAOYSA-N 415.402 2.093 5 40 HEBB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)cc1OC 101362110 YJXOSFDDGICVCQ-FUHWJXTLSA-N 411.370 2.213 5 40 HEBB 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O=C(COC(=O)CN1CCCCCC1=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 5781926 WPQNENITUWSEQB-UHFFFAOYSA-N 417.340 2.498 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)s1 12771318 RGETVEHKEJFZDA-UHFFFAOYSA-N 409.489 2.420 5 40 HEBB CCc1cc(NC[C@H](Cc2cnn(C)c2)C(N)=O)nc(-c2ccc([N+](=O)[O-])cc2)n1 89282901 CIQUULPWVZTXNE-HNNXBMFYSA-N 409.450 2.104 5 40 HEBB C[C@@H](C(=O)NCCCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220417073 DXTGUSHBALBTFG-HNNXBMFYSA-N 405.476 2.498 5 40 HEBB O=C(CN1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1 11525828 SEHIRKMLUWAMCF-UHFFFAOYSA-N 412.446 2.193 5 40 HEBB O=C(Sc1nc2cc([N+](=O)[O-])ccc2n1C(=O)c1cnccn1)c1cnccn1 16431430 CBYBAMGFSINDDH-UHFFFAOYSA-N 407.371 2.146 5 40 HEBB COc1ccc(C(=O)O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20142876 WWZIZRXIOBMBJQ-UHFFFAOYSA-N 401.375 2.391 5 40 HEBB CC1=C(C(=O)OCCCO[N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1 68606459 WUWDFXPDAJGZPL-OAHLLOKOSA-N 422.350 2.205 5 40 HEBB biogenic 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COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 3376968 CEJZSIQKQRRBOK-UHFFFAOYSA-N 417.399 2.443 5 40 HEBB NC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1[nH]c(=O)n2-c1ccc(Cl)cc1 4274083 RGKCFGKYVDPEJC-UHFFFAOYSA-N 410.777 2.436 5 40 HEBB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1N 9212502 XBLQGWKSNFHHCL-UHFFFAOYSA-N 400.420 2.307 5 40 HEBB CCOc1ccc(CNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 13649639 BJKNOYBOXRDRKE-UHFFFAOYSA-N 421.475 2.384 5 40 HEBB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 12871770 GRUFCQFSDVUXCF-VXGBXAGGSA-N 409.464 2.119 5 40 HEBB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 248151548 BSIKUHLEOMYPKY-QLDGJZPUSA-N 420.425 2.176 5 40 HEBB CCOC(=O)N1CCN(C(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)CC1 2809523 XFRJNZRSVUCMPY-UHFFFAOYSA-N 421.841 2.407 5 40 HEBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1cc(F)ccc1F 7204860 VIANPSASWPCTCJ-SNVBAGLBSA-N 409.345 2.461 5 40 HEBB 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Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1C 25795744 QXUCZERSPORVKQ-CQSZACIVSA-N 420.491 2.491 5 40 HEBB C[C@@]12CCC(=O)N1[C@@H](C(=O)OCc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CS2 9441245 JTZDZAHNXCYRJX-SJKOYZFVSA-N 404.404 2.142 5 40 HEBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOc2cccc([N+](=O)[O-])c2)C1=O 40116370 GRXXJZWVGGMTFQ-SFHVURJKSA-N 400.347 2.349 5 40 HEBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OC)C2=O)o1 107757768 KMYFZRJUFQSHHN-WQLSENKSSA-N 401.331 2.076 5 40 HEBB CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4868517 SYBAJDOTEGVVLL-UHFFFAOYSA-N 413.430 2.247 5 40 HEBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1ccc(Cl)cn1 12539173 YDYLPKJLUVYSSA-UHFFFAOYSA-N 420.809 2.275 5 40 HEBB CCOC(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc([N+](=O)[O-])c1 14199451 MNDHJXVDPIGUCW-UHFFFAOYSA-N 407.423 2.464 5 40 HEBB COC(=O)c1cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc([N+](=O)[O-])c1 32999986 KILXDRQSHBPXHC-INIZCTEOSA-N 419.459 2.246 5 40 HEBB COc1ccc(OC)c(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220402384 WFJALSDVRHGVES-LBPRGKRZSA-N 423.447 2.405 5 40 HEBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1cccc([N+](=O)[O-])c1 408637218 HQGQEGNFZUFYEQ-ZDUSSCGKSA-N 413.342 2.282 5 40 HEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1SC[C@@H](O)c1ccccc1 58046491 NOZSRMROSUHAHN-QGZVFWFLSA-N 424.500 2.441 5 40 HEBB NC(=O)c1c(NC(=S)NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCC2 16450518 YROBMMVYHGWBJJ-UHFFFAOYSA-N 420.472 2.136 5 40 HEBB CCn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3cc(C)ccc3nc21 100943701 HTPMRFJBGMWWSJ-UHFFFAOYSA-N 412.446 2.429 5 40 HEBB CCOc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c([N+](=O)[O-])c1 5869522 GOASMIITLQNJIE-HXPMCKFVSA-N 404.423 2.433 5 40 HEBB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12521989 WXJOVUNXDSFTFH-UHFFFAOYSA-N 416.409 2.281 5 40 HEBB C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCOCC1 23181855 OPCAHCFFZFPZLQ-SUMWQHHRSA-N 411.505 2.397 5 40 HEBB O=C(NC1CCC(O)CC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 33028115 SIUCHONNUFGUEL-UHFFFAOYSA-N 419.459 2.429 5 40 HEBB CC(=O)Nc1ccc(-c2csc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)n2)cc1 58159156 AHAIAHCPTIMPGN-UHFFFAOYSA-N 413.415 2.477 5 40 HEBB CC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 101407757 NBKPSVBOLWSLHR-INDMIFKZSA-N 404.382 2.062 5 40 HEBB COc1cccc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])c1 35593231 RGMAJBWHZFLZCC-UHFFFAOYSA-N 420.491 2.152 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 38856400 BBUPFMZHXCQWTO-QGZVFWFLSA-N 421.431 2.078 5 40 HEBB Cc1c(C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 78821897 SZQBQSTZVREVHO-KZULUSFZSA-N 419.459 2.153 5 40 HEBB Cn1c(=O)c2c(nc3n(-c4ccccc4)c(-c4ccc([N+](=O)[O-])cc4)cn23)n(C)c1=O 9313402 QIADJTJQEVMCJO-UHFFFAOYSA-N 416.397 2.251 5 40 HEBB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])[C@H]1C(=O)c3ccccc3C1=N2 649639 PHSRBMIRXRLMSD-HZPDHXFCSA-N 416.393 2.071 5 40 HEBB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)cc1OC 100880683 YJXOSFDDGICVCQ-AEFFLSMTSA-N 411.370 2.213 5 40 HEBB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)c(OC)c1 9328553 HQFBSTJYGJNOAN-SJLPKXTDSA-N 411.370 2.213 5 40 HEBB COc1cc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c([N+](=O)[O-])cc1OC 9569138 QKXKCLLFFFHFCQ-UHFFFAOYSA-N 421.431 2.404 5 40 HEBB CN(C)c1ccc(C(=O)c2ccccc2C(=O)N2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] 24599606 ZOXUTDDHPZVUGV-UHFFFAOYSA-N 424.457 2.229 5 40 HEBB O=C(O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113890021 GJJHXPKGPDSHIW-UHFFFAOYSA-N 415.767 2.436 5 40 HEBB O[C@H](COC[C@H]1COc2ccccc2O1)C[N+]1(Cc2ccccc2)CCOCC1 2692819 ABLIITXQHKILBI-SFTDATJTSA-N 400.495 2.251 5 40 HEBB Nc1nc(N2CCCCC2)nc2c1[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 20635669 SBICQWVZVLQTFP-CYBMUJFWSA-N 411.422 2.022 5 40 HEBB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)N1CCCCC1 106770386 YOBIWFPJXPJZGL-CHHVJCJISA-N 419.415 2.372 5 40 HEBB Cc1c(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cccc1[N+](=O)[O-] 5721632 PNEUUVUSUINEIA-UHFFFAOYSA-N 418.475 2.237 5 40 HEBB CC(=O)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 6262480 NBKPSVBOLWSLHR-CADBVGFASA-N 404.382 2.062 5 40 HEBB COc1ccc(CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1 36226975 BNWVEMHPTBTBJQ-UHFFFAOYSA-N 421.475 2.279 5 40 HEBB NC(=O)CN(Cc1ccc(Br)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 40152696 ITIWSAAOVRCJMO-UHFFFAOYSA-N 406.236 2.414 5 40 HEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)c1 8036354 AQGGYZAGULAGON-CYBMUJFWSA-N 419.434 2.266 5 40 HEBB C[C@H](C(=O)NCCSC(C)(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220408384 XBTNSDGEBPOMIR-GFCCVEGCSA-N 403.526 2.397 5 40 HEBB COc1ccc(CNC(=O)COC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1OC 3414436 BJFNMVPHYFWRPC-CSKARUKUSA-N 400.387 2.485 5 40 HEBB CC(C)[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 15975126 BSIKUHLEOMYPKY-VDNWNZSNSA-N 420.425 2.176 5 40 HEBB CCOC(=O)N1CCN(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)CC1 96817184 DITUKMFKYMTWSA-UHFFFAOYSA-N 424.457 2.362 5 40 HEBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(N)=O)cc3c3ccnc2c31 524732262 ZXHFFZKIEPRKQV-UHFFFAOYSA-N 403.394 2.473 5 40 HEBB biogenic CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cccc(F)c1 2494483 NBALTEXSKKONTE-PLRJNAJWSA-N 420.400 2.243 5 40 HEBB Cc1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9891927 MKHOLBBTIVNGOE-UHFFFAOYSA-N 406.420 2.322 5 40 HEBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1 32827799 LOHLVSCRJAOYAS-UHFFFAOYSA-N 418.519 2.081 5 40 HEBB CCCc1[nH]nc(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)c1[N+](=O)[O-] 542011410 NKPHOMRONUSDKT-MRXNPFEDSA-N 401.467 2.157 5 40 HEBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 12805265 NDTQMOGSQGMALI-UHFFFAOYSA-N 403.460 2.036 5 40 HEBB Cc1cc(C(=O)NCC(=O)OCC(=O)NC2CCCCCCC2)ccc1[N+](=O)[O-] 5944089 JQARPIAFKMZZCJ-UHFFFAOYSA-N 405.451 2.405 5 40 HEBB C[C@H](OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 12823255 VULZGFVEYAFKTQ-NEPJUHHUSA-N 411.370 2.150 5 40 HEBB COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@@H]23)cc1OC 102564089 GPTJDNKNJXNIQE-FUHWJXTLSA-N 411.370 2.213 5 40 HEBB COc1ccc(-c2nc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3n2)cc1OC 1899037 NJJWBRXMKQVKSJ-SXGWCWSVSA-N 410.411 2.291 5 40 HEBB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 4889871 RIGPKMPHSDKHRD-GJZGRUSLSA-N 405.451 2.093 5 40 HEBB CN1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)CC1 5164520 UZDGMBQITAYGJL-UHFFFAOYSA-N 411.510 2.178 5 40 HEBB COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccccc3)nn21 40375297 DEIZIUASTIATLK-CQSZACIVSA-N 408.374 2.384 5 40 HEBB O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc(Cl)c1 941653 GLLKDHJVWRTPDV-UHFFFAOYSA-N 417.761 2.026 5 40 HEBB O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 2617100 XAIOKYPUTLEDKQ-UHFFFAOYSA-N 411.370 2.374 5 40 HEBB CNc1cc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] 4125099 JMVNDXPQOABEKJ-UHFFFAOYSA-N 421.435 2.056 5 40 HEBB CCOc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c([N+](=O)[O-])c1 5869531 GOASMIITLQNJIE-CWTRNNRKSA-N 404.423 2.433 5 40 HEBB O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 8867868 JATLITXWKAJKEZ-KRWDZBQOSA-N 422.434 2.329 5 40 HEBB CC[C@@H](C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O 8997069 FTULSNBLRBFGCO-RRBXVBTKSA-N 400.435 2.373 5 40 HEBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c1 409103970 XRQJBUSZURMTAF-NSIKDUERSA-N 424.369 2.163 5 40 HEBB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@@H]23)c(OC)c1 103548745 BRJUXKBPZYTFHY-WMZOPIPTSA-N 411.370 2.213 5 40 HEBB O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 5523796 JVUOXXNQZWNLDX-XJKCOSOUSA-N 410.308 2.094 5 40 HEBB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 25326352 MTVAHHARRWNQNO-OAHLLOKOSA-N 406.420 2.368 5 40 HEBB CC(C)CC(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 95451475 RDEMVENDOTZYHE-UHFFFAOYSA-N 409.508 2.446 5 40 HEBB COc1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])[C@H]2CCS(=O)(=O)C2)cc1 4318650 LKFBJNPBDKLAFS-HNNXBMFYSA-N 404.444 2.433 5 40 HEBB Cc1cc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc(-n2cc([N+](=O)[O-])cn2)n1 10215039 WGFOWISICNXYEU-UHFFFAOYSA-N 406.406 2.420 5 40 HEBB COc1ccc(-n2nc([N+](=O)[O-])c(NC3CCN(Cc4ccccc4)CC3)[n+]2[O-])cc1 13574379 LBXANFQOQNCQEL-UHFFFAOYSA-N 424.461 2.499 5 40 HEBB O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 16753457 SLWOFWJMWJSQFM-INIZCTEOSA-N 422.434 2.329 5 40 HEBB Cc1c(C(=O)NCCN2CCOCC2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 20280108 FNCYLQKOZGHDGZ-UHFFFAOYSA-N 415.475 2.341 5 40 HEBB Cc1ccc(C(=O)N(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1[N+](=O)[O-] 24068294 DBVQSCJPQBIGNC-INIZCTEOSA-N 420.491 2.348 5 40 HEBB O=C(c1cc(O)nc2ccccc12)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O 888089663 VTGWSACISDENLD-OLZOCXBDSA-N 406.398 2.270 5 40 HEBB O=C1N[C@H](c2ccccc2[N+](=O)[O-])[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 5573368 DAGYAVSQCLBSSG-ZENOOKHLSA-N 410.308 2.094 5 40 HEBB Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])cc1C 28195822 CJHULUHVYNHZCR-UHFFFAOYSA-N 413.477 2.263 5 40 HEBB Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 95459224 HUAYCQMYIUOODI-SFHVURJKSA-N 410.434 2.345 5 40 HEBB COCCn1c(=N)c(C(=O)NCc2ccc(C)cc2)cc2c(=O)n3ccccc3nc21 100869467 YDTQOYFZYFADIW-UHFFFAOYSA-N 417.469 2.013 5 40 HEBB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 225022724 VVRQQSYTVBDNBP-UHFFFAOYSA-N 422.415 2.140 5 40 HEBB O=[N+]([O-])c1ccc(Nc2cnn(C[C@@H]3CCCO3)c2)c(S(=O)(=O)N2CCCC2)c1 40139281 FQJJFXLNXRLMFT-INIZCTEOSA-N 421.479 2.498 5 40 HEBB C[C@H](C(=O)NCCCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220417142 DXTGUSHBALBTFG-OAHLLOKOSA-N 405.476 2.498 5 40 HEBB O=C(COC(=O)[C@@H]1CCCN1C(=O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1 4979645 ZAHHTUDZCMAERY-AWEZNQCLSA-N 403.416 2.443 5 40 HEBB COC[C@@H](O)CSc1c([N+](=O)[O-])nc(C)n1Cc1ccc(OC)c([N+](=O)[O-])c1 8680776 YXOKNBXJOFBQLA-GFCCVEGCSA-N 412.424 2.164 5 40 HEBB C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=S)N(C4CC4)C3=O)[C@@H]2C1 8739146 FOKAVCWXEQFMQC-XITNVPRNSA-N 414.487 2.148 5 40 HEBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 44811676 HVCLOMDLUWRTNC-CYBMUJFWSA-N 417.491 2.230 5 40 HEBB O=C(Nc1ccc2c(c1)OCCO2)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O 17155331 XZVZXSIZYZZROM-UHFFFAOYSA-N 423.381 2.409 5 40 HEBB O=C1C[C@H](NC2CCN(c3ncccc3[N+](=O)[O-])CC2)C(=O)N1c1ccc(F)cc1 20353839 RSNNJCRTWRJTLH-INIZCTEOSA-N 413.409 2.019 5 40 HEBB Cc1c(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 78821886 SZQBQSTZVREVHO-KPZWWZAWSA-N 419.459 2.153 5 40 HEBB CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1cccc([N+](=O)[O-])c1 218305976 AIKPFLQGEFFSJF-UHFFFAOYSA-N 413.477 2.003 5 40 HEBB O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 58137712 ADSZCZUXVGQXKR-OAHLLOKOSA-N 421.450 2.451 5 40 HEBB CCOC(=O)C1=NN(c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 100070650 IJHLTWABXCIDLM-WMZOPIPTSA-N 422.397 2.201 5 40 HEBB O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccccc1N1CCOCC1 17090593 AWUGCNLLVUJKDB-UHFFFAOYSA-N 416.459 2.323 5 40 HEBB Cc1cc(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)ccc1[N+](=O)[O-] 53776551 XRJKVIZYRNNTPM-UHFFFAOYSA-N 408.458 2.250 5 40 HEBB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 224745711 XBUSHKGCGCPAFT-UHFFFAOYSA-N 422.415 2.140 5 40 HEBB O=C(Oc1cccc(N2C(=O)CCC2=O)c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408654757 GPSRRRMWQUZYPF-ZDUSSCGKSA-N 423.381 2.207 5 40 HEBB CCNC(=O)c1ccc(N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)nc1 509921388 YZNQLIOINGXPED-UHFFFAOYSA-N 409.450 2.333 5 40 HEBB CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 57568472 FJVFLVOYFFRKOX-UHFFFAOYSA-N 403.460 2.351 5 40 HEBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](c2nnc3ccccn23)C1 83923720 KRXXCVMETIATDK-ZDUSSCGKSA-N 417.447 2.214 5 40 HEBB COc1cc2c(cc1OC)[C@@]13CC[N+]4([O-])CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]34 103834028 HHHQMKWPZAYIAE-MJJDHABJSA-N 410.470 2.122 5 40 HEBB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 408652652 GKQDRYVHDMMCKR-ZDUSSCGKSA-N 413.386 2.138 5 40 HEBB COc1cc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)c(C)cc1[N+](=O)[O-] 5862448 BKDZIVSMMNECSJ-UHFFFAOYSA-N 407.423 2.090 5 40 HEBB CC(=O)Oc1ccc(/C=c2\sc3nc(-c4cccc([N+](=O)[O-])c4)nn3c2=O)cc1 12364615 XVAAFBVYVBWNPD-SXGWCWSVSA-N 408.395 2.199 5 40 HEBB Cc1ccc(N2C[C@H](C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1F 12918812 VKRHTOIYMKUYQZ-RDTXWAMCSA-N 401.394 2.245 5 40 HEBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc([N+](=O)[O-])c1O 106765963 PBTXIKJCUDWEAV-ZROIWOOFSA-N 421.431 2.358 5 40 HEBB C[C@@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@@H](C)O1 215693275 PAXVYQBQXSRDCW-JTNHKYCSSA-N 409.489 2.354 5 40 HEBB O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 103523395 FLBVUNVQDLPVID-NCXUSEDFSA-N 416.393 2.192 5 40 HEBB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 28209556 FGNHLEYIAPOZHV-INIZCTEOSA-N 403.416 2.222 5 40 HEBB COc1ccc(-c2nc(CN3CCN(C(=O)[C@H]4C[C@@H]4[N+](=O)[O-])CC3)cs2)cc1 40115508 XJQKLSQTYIJUSU-IRXDYDNUSA-N 402.476 2.128 5 40 HEBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 7805784 BFBFWZMCYZPHRO-NTEUORMPSA-N 401.444 2.353 5 40 HEBB O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1cc(C(=O)O)cc([N+](=O)[O-])c1 14944645 SJKAOFVDHUYMPB-UHFFFAOYSA-N 400.376 2.204 5 40 HEBB COC(=O)[C@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15975123 RLECGFLZYIEZDY-WJFTUGDTSA-N 419.393 2.283 5 40 HEBB COC(=O)c1ccc(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)cc1 16942274 KTYQPKZCHZVENB-UHFFFAOYSA-N 423.381 2.424 5 40 HEBB COC(=O)c1cc(C(=O)N[C@@H](C)C2(N3CCOCC3)CCCC2)cc([N+](=O)[O-])c1 78879188 DWVCJIRLOUZKMX-AWEZNQCLSA-N 405.451 2.145 5 40 HEBB CCOC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225027769 OZYVAZMTKYAYKS-UHFFFAOYSA-N 408.388 2.082 5 40 HEBB COc1ccccc1[C@@H]1c2c(-c3cccc([N+](=O)[O-])c3)nnc(O)c2Nc2nnnn21 10296481 LBMSIAWSMQTOGF-QGZVFWFLSA-N 418.373 2.447 5 40 HEBB COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCCSC)cc([N+](=O)[O-])c1O 34846686 DYRLJVMVAOETRF-AWEZNQCLSA-N 411.436 2.185 5 40 HEBB COCc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5C)c(=O)c4cc3c2=O)n1 40398967 CTLJPLPJKPCPOA-UHFFFAOYSA-N 414.425 2.263 5 40 HEBB COC(=O)c1cc(C(=O)N[C@](C)(C(=O)OC)c2cc(F)ccc2F)cc([N+](=O)[O-])c1 58247070 JUNNRIZVTAMDSS-IBGZPJMESA-N 422.340 2.478 5 40 HEBB CCN1C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3N=Cc4ccccc4[C@H]3[C@@H]2C1=O 104272362 AYYWAUVPDVVMLV-YRXWBPOGSA-N 418.409 2.172 5 40 HEBB COC(=O)c1cc(C(=O)NCc2cc(OC)c(OC)cc2OC)cc([N+](=O)[O-])c1 7274393 IUXXGRVXAGPBLE-UHFFFAOYSA-N 404.375 2.337 5 40 HEBB C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)c1ccccc1 22087588 SXGMNXLEFRLGCJ-UONOGXRCSA-N 401.419 2.422 5 40 HEBB O=C(O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113888716 HLWAOTJWVPVROY-UHFFFAOYSA-N 415.767 2.436 5 40 HEBB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-] 6377205 GGJBTAWSWJLKFE-MRXNPFEDSA-N 407.354 2.263 5 40 HEBB CCCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 24992177 JZBQYIRNBPSAGE-UHFFFAOYSA-N 403.888 2.484 5 40 HEBB Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 32579257 JTYQTIIBXVJMRL-UHFFFAOYSA-N 401.404 2.221 5 40 HEBB COc1cc(OCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1[N+](=O)[O-] 66016888 LMHCESLHSBFUPH-UHFFFAOYSA-N 400.435 2.373 5 40 HEBB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1c[nH]c2ccccc12 2660155 UKYLWXLOOHOZGP-UHFFFAOYSA-N 421.365 2.488 5 40 HEBB COc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC 3412585 UBYJFFFHLPOJDN-UHFFFAOYSA-N 404.331 2.136 5 40 HEBB O=[N+]([O-])c1ccc(-c2nnc(O)c3c2[C@H](c2cccc(O)c2)n2nnnc2N3)cc1 10296411 CDOWBHQHMKLAMN-INIZCTEOSA-N 404.346 2.144 5 40 HEBB CCOc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2N)c([N+](=O)[O-])c1 36640268 MKCLHTHUMJOMTF-UHFFFAOYSA-N 406.346 2.048 5 40 HEBB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc([N+](=O)[O-])c1C 16250172 AMIXVKPJPVBITI-UHFFFAOYSA-N 411.411 2.310 5 40 HEBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)N[C@H](C)c1ccccc1 22087602 SXGMNXLEFRLGCJ-KGLIPLIRSA-N 401.419 2.422 5 40 HEBB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 408652650 GKQDRYVHDMMCKR-CYBMUJFWSA-N 413.386 2.138 5 40 HEBB Cc1ccc(C(=O)N[C@@H](C(N)=O)P(=O)(OC(C)C)OC(C)C)cc1[N+](=O)[O-] 2283095 DXPGTRATEMAZEP-MRXNPFEDSA-N 401.356 2.488 5 40 HEBB CCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9507179 PQRWBWPFEAWHMV-UHFFFAOYSA-N 423.429 2.132 5 40 HEBB O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@]1(C(=O)Nc3ccccc31)N1CCC[C@H]21 103563322 WMOIDSVFHDUYQF-IDVKNYFZSA-N 418.409 2.026 5 40 HEBB CNS(=O)(=O)c1ccc(NCc2ccc(Cn3cccn3)cc2)c([N+](=O)[O-])c1 12528021 PFCGUCKVHUSWPM-UHFFFAOYSA-N 401.448 2.360 5 40 HEBB O=[N+]([O-])c1ccc([C@@H](O)CNS(=O)(=O)c2ccc(Br)cc2)cc1 606428348 IQUVRGBZGZOGHF-AWEZNQCLSA-N 401.238 2.369 5 40 HEBB C[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2S1(=O)=O 4940841 FFRFXRRSTSZCIO-VIFPVBQESA-N 409.807 2.420 5 40 HEBB CCN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N(CC)C1=S 5896703 OFBQRZJYRBWGHY-INIZCTEOSA-N 416.503 2.492 5 40 HEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)c1 8036355 AQGGYZAGULAGON-ZDUSSCGKSA-N 419.434 2.266 5 40 HEBB CCN(CC)CCOc1ccccc1CNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 46890622 RBRWJDHWRQGHQG-UHFFFAOYSA-N 403.483 2.445 5 40 HEBB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 224275446 AHDFBEXONINROY-UHFFFAOYSA-N 419.459 2.188 5 40 HEBB CC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 4280392 HCCMWVKQNBTSHM-QPJJXVBHSA-N 414.443 2.312 5 40 HEBB COC(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 220024360 RAFQNKRQBKMJMS-UHFFFAOYSA-N 421.431 2.095 5 40 HEBB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 6262475 NBKPSVBOLWSLHR-FCGDIQPGSA-N 404.382 2.062 5 40 HEBB CCn1c(COc2cccnc2[N+](=O)[O-])nc2cc(S(=O)(=O)N(C)C)ccc21 12629871 DKYWITQHRUVWMA-UHFFFAOYSA-N 405.436 2.189 5 40 HEBB NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c1=O 40050061 HJFYNPPMZIFJMY-UHFFFAOYSA-N 420.425 2.084 5 40 HEBB COC(=O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)CCNc2ccccc2[N+](=O)[O-])nn1 40152496 FFRUZYFDYVYAKP-GOEBONIOSA-N 416.438 2.075 5 40 HEBB CC[N+](C)(CC)CCOC(=O)Cn1c(=O)c2ccccc2c(Cc2ccccc2)[n+]1C 5469307 KMGYMJQGJSFQIG-UHFFFAOYSA-N 423.557 2.446 5 40 HEBB COc1cccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 7718529 GNJYLGZWPQCFLP-IRXDYDNUSA-N 403.416 2.216 5 40 HEBB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 9525985 LYMKXHBESVPXQR-CYBMUJFWSA-N 413.386 2.138 5 40 HEBB CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 12804479 WTHIWGJSLGPMDB-UHFFFAOYSA-N 421.431 2.366 5 40 HEBB COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224783015 UVRITJCXQXZGLK-UHFFFAOYSA-N 409.376 2.180 5 40 HEBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2ccc(-c3cccs3)nn2)cc1 9853646 LEZQBQCGFXEFLL-UHFFFAOYSA-N 406.445 2.471 5 40 HEBB CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 12781324 CHZPENGUJLLKFK-UHFFFAOYSA-N 413.477 2.311 5 40 HEBB C[C@H]1CCCN(C(=O)C2CCN(Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)C1 48288030 PLRZBSUNHWWCTD-AWEZNQCLSA-N 402.451 2.431 5 40 HEBB CCOc1c(Cc2ccccc2)c(=O)n2c3ccccc3n3c(=O)n(C)c(=O)c1c23 1622358 PTPUOWXJUIDXMM-UHFFFAOYSA-N 401.422 2.192 5 40 HEBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 4305112 OJMLQMFFNZGBRB-FQEVSTJZSA-N 412.402 2.318 5 40 HEBB O=C1N[C@H](c2ccccc2[N+](=O)[O-])[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 5573348 DAGYAVSQCLBSSG-IOASZLSFSA-N 410.308 2.094 5 40 HEBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)CC1 25266630 SMMSSAQXPQNOSS-UHFFFAOYSA-N 410.474 2.389 5 40 HEBB CCOC(=O)[C@H](Cc1ccc(OC)c([N+](=O)[O-])c1)NS(=O)(=O)c1ccccc1 5326244 DUIPUJOJNWQGBK-HNNXBMFYSA-N 408.432 2.056 5 40 HEBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCOCC1 7265056 VOWMOJUHHCPLMG-UHFFFAOYSA-N 405.432 2.176 5 40 HEBB O=[N+]([O-])c1ccc(Nc2cnn(C[C@H]3CCCO3)c2)c(S(=O)(=O)N2CCCC2)c1 40139282 FQJJFXLNXRLMFT-MRXNPFEDSA-N 421.479 2.498 5 40 HEBB CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccc(OC)cc2)c1=N 100891635 RJPJJDAWZVRZAI-UHFFFAOYSA-N 417.469 2.244 5 40 HEBB CCOC(=O)c1cc(C(=O)Nc2ccccc2NS(C)(=O)=O)cc([N+](=O)[O-])c1 24887163 AXHLNTLDEKGJBP-UHFFFAOYSA-N 407.404 2.395 5 40 HEBB COc1nonc1OCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 55135417 PYXJQLAQBQQEME-UHFFFAOYSA-N 417.344 2.206 5 40 HEBB COC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225007080 HJRAXSBRQYGDKU-UHFFFAOYSA-N 422.415 2.058 5 40 HEBB COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])ccc2OC)cc1 40115985 UNHZZMSAVICITL-LSDHHAIUSA-N 421.431 2.108 5 40 HEBB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 8038830 ZGOPXHZOLRTLHN-ZDUSSCGKSA-N 413.386 2.138 5 40 HEBB COc1cc(CCNC(=O)C[C@@H](C)NC(=O)c2ccccc2)c([N+](=O)[O-])cc1OC 16143916 HFKVLFCNUXHWFE-CQSZACIVSA-N 415.446 2.479 5 40 HEBB Cc1nc2sc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(C)c2c(=O)[nH]1 9245476 GAXHUFBYPNTHMO-UHFFFAOYSA-N 402.388 2.305 5 40 HEBB COc1ccc(NC(=O)COc2ccccc2C(=O)N2CCOCC2)c([N+](=O)[O-])c1 24980357 HXIBGOOJZJFGRL-UHFFFAOYSA-N 415.402 2.093 5 40 HEBB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220406100 ILUBODBROPOXCH-LLVKDONJSA-N 407.404 2.117 5 40 HEBB CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 224760102 SNZBABRNDZQUKA-UHFFFAOYSA-N 422.415 2.140 5 40 HEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCc2ccccc2C1 6045720 YYASEIAIVOVBSJ-UHFFFAOYSA-N 403.460 2.178 5 40 HEBB COC(=O)c1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 10434031 YKVVRHMNWCYBQT-UHFFFAOYSA-N 421.431 2.095 5 40 HEBB COc1cc(CCNC(=O)c2cc(C)nc3c2c(C)nn3C)c([N+](=O)[O-])cc1OC 25169747 DHBJSHPCCUGQCT-UHFFFAOYSA-N 413.434 2.483 5 40 HEBB C[C@H](c1nc(C2CC2)no1)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 40153584 CVICYZRPWNDSSK-GFCCVEGCSA-N 421.479 2.142 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccc(C)cn1 58215446 NUPLOAYWCMLDJR-CYBMUJFWSA-N 401.423 2.204 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 218431918 BIJVEBPIRXVZGX-UHFFFAOYSA-N 421.431 2.079 5 40 HEBB CCS(=O)(=O)N1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC)Oc2ccccc21 13683287 LSJRBMKWXKCLSZ-QGZVFWFLSA-N 421.431 2.159 5 40 HEBB CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 2618486 GJFYUDWXDOSWNR-UHFFFAOYSA-N 415.402 2.214 5 40 HEBB Cc1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCS(=O)(=O)C2)o1 8916232 AAIKGZATIITXBI-CQSZACIVSA-N 408.432 2.091 5 40 HEBB COc1cccc(-c2nnc(O)c3c2[C@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N3)c1 10296842 OWYDTSQKCKMPNY-KRWDZBQOSA-N 418.373 2.447 5 40 HEBB O=C1C[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CN1CCc1ccccc1 79099846 QLESZECVGPMBNE-SFHVURJKSA-N 417.487 2.105 5 40 HEBB O=C1C[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40399221 LDOGWKPDUDGXST-LBPRGKRZSA-N 420.385 2.486 5 40 HEBB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cn1ncc2cc([N+](=O)[O-])ccc21 26614567 WDMBAPVKJDHYQC-UHFFFAOYSA-N 401.448 2.215 5 40 HEBB CCOc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cccc1[N+](=O)[O-] 107757778 RBKMMZBIUQQATP-LCYFTJDESA-N 415.358 2.466 5 40 HEBB Cc1cc(C(=O)N(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)ccc1[N+](=O)[O-] 6984046 VDRAEOWATJMTRD-MRXNPFEDSA-N 420.491 2.348 5 40 HEBB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]23)cc1OC 9109887 PGDCRVUWGQCJBE-SJLPKXTDSA-N 411.370 2.213 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)Cc1cn2ccsc2n1 9631230 JCQGRTUVRDIJSC-SNVBAGLBSA-N 404.404 2.426 5 40 HEBB O=[N+]([O-])c1ccc(-c2nnc(O)c3c2[C@H](c2ccc(O)cc2)n2nnnc2N3)cc1 10296420 GEEJHHZVFFGHIQ-INIZCTEOSA-N 404.346 2.144 5 40 HEBB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])c(O)c1 12771115 OOIGVSOXANJYBB-UHFFFAOYSA-N 419.459 2.405 5 40 HEBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4O[C@@H]([C@H]5ON=C(c6ccc([N+](=O)[O-])cc6)[C@H]54)[C@@H]3C2=O)cc1 13540440 YNTRSSRUMSYCTL-AEVHBADWSA-N 419.393 2.209 5 40 HEBB CC(C)Oc1cccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 22347881 LBJGOBPWHDQUGT-UHFFFAOYSA-N 421.475 2.464 5 40 HEBB O=C(OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cc(F)cc(F)c1 25022060 AVMFWBIOWNRHSN-UHFFFAOYSA-N 405.357 2.379 5 40 HEBB COc1cc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)O)cc(OC)c1OC 2295552 WEDRFTLGCKLPHD-RIYZIHGNSA-N 402.359 2.476 5 40 HEBB CNC(=O)c1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1 610880497 WNPYPCHTXONJRV-UHFFFAOYSA-N 415.431 2.249 5 40 HEBB COc1ccc(-c2nnc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n23)cc1OC 2409483 HUXGEWJSDFCFBS-SXGWCWSVSA-N 410.411 2.291 5 40 HEBB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NCc1ccccc1[N+](=O)[O-] 57996457 SUVDUUOHKGIBMY-UHFFFAOYSA-N 420.447 2.366 5 40 HEBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1nnc(-c2cccs2)o1 9283259 UTZLGMZPSGDPRF-UHFFFAOYSA-N 414.355 2.046 5 40 HEBB CC(C)(CO)NCCC(=O)N1N=C(c2ccccc2)C[C@H]1C1=CC[C@H]([N+](=O)[O-])C=C1 95116091 XHESCTDUBGBGFY-QUCCMNQESA-N 412.490 2.274 5 40 HEBB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc([N+](=O)[O-])ccc2C)cc1OC 224811281 YQTBQKOYNXUSIU-UHFFFAOYSA-N 410.404 2.200 5 40 HEBB CCn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3cccc(C)c3nc21 100943678 DVRXAJWIEFVNPH-UHFFFAOYSA-N 412.446 2.429 5 40 HEBB CC1(C)C[C@@H]2C[C@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2CC12C(=O)NC(=O)NC2=O 9111243 WXTBTYWPGPEHNG-IAMHBRQHSA-N 412.446 2.277 5 40 HEBB CN1C(=O)c2ccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2C1=O 12545378 XOTNOAJOBPTDQZ-UHFFFAOYSA-N 409.402 2.175 5 40 HEBB Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c(C)c1 12878283 DGQJMKAYRUWFIH-UHFFFAOYSA-N 408.418 2.469 5 40 HEBB NC(=O)c1ccc(SCC(=O)OCC(=O)NCC2CCCCC2)c([N+](=O)[O-])c1 12853715 HTYBYJDSHWTWDR-UHFFFAOYSA-N 409.464 2.026 5 40 HEBB COc1cccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)c1 15952835 AOFFKEBYYJFTTO-QGZVFWFLSA-N 404.444 2.433 5 40 HEBB Cc1cccc(-c2noc(C(=O)NCCNC(=O)Cc3ccc([N+](=O)[O-])cc3)n2)c1 21453217 TXNVWMNHBFGUAO-UHFFFAOYSA-N 409.402 2.042 5 40 HEBB Cc1cccc([C@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)N2CCOCC2)c1 29626576 GUIIEIMVDRPWDW-SFHVURJKSA-N 420.491 2.036 5 40 HEBB CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 72289370 UABOAFWLSWLWPI-ZDUSSCGKSA-N 424.483 2.146 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 216862512 CSTMFEGRGZMNBQ-UHFFFAOYSA-N 418.475 2.092 5 40 HEBB CC(C)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 6190670 LEMBHFQBKUHQLH-INIZCTEOSA-N 422.419 2.445 5 40 HEBB CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1ccc(C(=O)O)cc1)C2=O 4753692 PPRHXOHVHXABGS-QGZVFWFLSA-N 408.370 2.290 5 40 HEBB COc1ccccc1[C@@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224148155 LWVVCIZXMNEWDZ-CYBMUJFWSA-N 407.448 2.247 5 40 HEBB CN1CCN(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)CC1 19831182 DRTOPHXEQDSUSO-DTQAZKPQSA-N 400.460 2.201 5 40 HEBB Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCOCC2)c([N+](=O)[O-])c1 23106831 YKMIEZAYMPRJJK-MRXNPFEDSA-N 418.475 2.093 5 40 HEBB CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cc1 89331167 IECCEOTXNPADFY-UHFFFAOYSA-N 407.423 2.447 5 40 HEBB COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2N2CCCN12 102707006 RGTVNUYCFJBVFN-GUDVDZBRSA-N 408.414 2.139 5 40 HEBB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)s1 138555267 UTSIDBWHFGVVPK-UHFFFAOYSA-N 421.435 2.354 5 40 HEBB Cc1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)C(=O)O)o1 408632086 PQBNIZFZUZAVDA-XNTDXEJSSA-N 405.436 2.256 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1OC)S(C)(=O)=O 409120973 XEPPDQPTZIQLPK-UHFFFAOYSA-N 409.420 2.017 5 40 HEBB CCOC(=O)C1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 8147408 MLXUCHJVMFXYCT-UHFFFAOYSA-N 413.496 2.405 5 40 HEBB COc1cccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 9284236 WWHRKOBEWVNUMR-UHFFFAOYSA-N 421.793 2.169 5 40 HEBB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)/C=C/c1cccc([N+](=O)[O-])c1 15718055 VGMLLHPNSOHOLT-RMKNXTFCSA-N 401.444 2.448 5 40 HEBB CC1CCN(c2ccc(C(=O)OCC(=O)NC[C@@H]3CCCO3)cc2[N+](=O)[O-])CC1 4868076 PNTXYUPWKHTKBS-INIZCTEOSA-N 405.451 2.283 5 40 HEBB COC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 16194232 CHTISMMLQAEKAZ-UHFFFAOYSA-N 414.403 2.088 5 40 HEBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(c2ccccc2OC)CC1 68818943 RCSHMPOTYUZOFQ-UHFFFAOYSA-N 400.435 2.373 5 40 HEBB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222436163 IGCANWFCSXMXBX-OAHLLOKOSA-N 415.446 2.454 5 40 HEBB COCCNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408997815 ITEFSJNPXYJJRR-SFHVURJKSA-N 401.419 2.195 5 40 HEBB COC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc12 4292195 DVTHCUSLQKPDHU-UHFFFAOYSA-N 411.370 2.100 5 40 HEBB CC(C)OCCCNC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O 4599946 NYLKZFMRACMIJR-GOSISDBHSA-N 401.419 2.112 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1N=CC=C[C@H]21 6923965 QDGKZHNFOUFZDW-DZUCGIPZSA-N 410.430 2.232 5 40 HEBB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1 7940120 IXXWWCNSFCHXKE-CYBMUJFWSA-N 413.386 2.138 5 40 HEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1ccc2c(c1)OCCO2 9662974 OJXVHGJTMWSSDS-UHFFFAOYSA-N 421.431 2.131 5 40 HEBB Cc1cc([N+](=O)[O-])c(SC(=S)N(C)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 12174491 ZYQJDUSFOLYLJK-VIFPVBQESA-N 405.479 2.307 5 40 HEBB CCOC(=O)C1=NN(c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 12412831 IJHLTWABXCIDLM-FUHWJXTLSA-N 422.397 2.201 5 40 HEBB Cc1noc(C(C)C)c1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 14845695 DSTOIUZTKLRYTQ-UHFFFAOYSA-N 422.463 2.161 5 40 HEBB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccccc3[N+](=O)[O-])C1=O)CC2 22609429 MNFNWCIHCYLDKF-QGZVFWFLSA-N 411.414 2.302 5 40 HEBB CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 32936755 HZYNSJYPSITJKC-UHFFFAOYSA-N 419.868 2.347 5 40 HEBB C[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccccc1 8433874 VQFYACFLFDNOII-HOCLYGCPSA-N 411.414 2.368 5 40 HEBB O=C(NCCNc1ccccc1[N+](=O)[O-])c1sccc1S(=O)(=O)N1CCCC1 25321665 JHCJGPQPHRIYNT-UHFFFAOYSA-N 424.504 2.283 5 40 HEBB Cc1c(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] 9190262 LGSVOTWNPBQGFB-UHFFFAOYSA-N 418.475 2.237 5 40 HEBB CCOc1ccccc1CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 20488829 BBTZTHMWHPNWCK-UHFFFAOYSA-N 407.448 2.076 5 40 HEBB COC(=O)c1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)oc1C 46265051 QZWGQSKFAUPFQQ-UHFFFAOYSA-N 403.391 2.049 5 40 HEBB COc1ccc(S(=O)(=O)N(C)Cc2nccn2CC(F)(F)F)cc1[N+](=O)[O-] 58305107 HDZLVHICXKWSLB-UHFFFAOYSA-N 408.358 2.183 5 40 HEBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 7871849 IKVQDLJSJGHEOY-UHFFFAOYSA-N 409.851 2.395 5 40 HEBB O=C(COc1ccccc1[N+](=O)[O-])N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 8916205 ZOOBINOAHHAQIZ-INIZCTEOSA-N 422.434 2.329 5 40 HEBB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 11228807 HRGFJDDINAYIKH-UHFFFAOYSA-N 417.418 2.404 5 40 HEBB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 28209553 FGNHLEYIAPOZHV-MRXNPFEDSA-N 403.416 2.222 5 40 HEBB COCc1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 224059228 XJQYWIVRVIBUNT-UHFFFAOYSA-N 407.448 2.454 5 40 HEBB O=C1NC(=S)N(C2CC2)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@H]12 9109824 KQQUHYXFSPMEEJ-JXFKEZNVSA-N 414.487 2.292 5 40 HEBB C[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccccc1 11672859 QPIFLSABHIZKMO-OLZOCXBDSA-N 420.443 2.421 5 40 HEBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)C(F)F)cc1 12876187 DQZHVNWLECSXPZ-AWEZNQCLSA-N 400.359 2.055 5 40 HEBB O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 58137722 ADSZCZUXVGQXKR-HNNXBMFYSA-N 421.450 2.451 5 40 HEBB CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccc(OC)cc2)c1=N 100752473 XQRYGZIQFNKWGE-UHFFFAOYSA-N 417.469 2.048 5 40 HEBB biogenic COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1cccc([N+](=O)[O-])c1 2249252 MCLWAGRRMDJQST-ABAIWWIYSA-N 405.432 2.433 5 40 HEBB COc1ccc(-c2nnc(O)c3c2[C@H](c2ccccc2[N+](=O)[O-])n2nnnc2N3)cc1 10295376 ZUKWPIYSXJSILQ-KRWDZBQOSA-N 418.373 2.447 5 40 HEBB CC(C)CN(C[C@@H](O)[C@@H](N)Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 22048451 BPRSPRGTVGSTKD-VQTJNVASSA-N 421.519 2.172 5 40 HEBB in-vitro COC[C@@H](CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)Oc1nonc1C 58055155 VCUWMEBGCDMNNW-CQSZACIVSA-N 411.846 2.156 5 40 HEBB C[C@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 58161260 PSJLFTUIEPLQGF-JTQLQIEISA-N 412.855 2.012 5 40 HEBB COc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c1O 106755967 DEQPZCVMJRFYCA-ZSOIEALJSA-N 421.431 2.358 5 40 HEBB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 9127568 MRLIGOCVLKIRQX-UHFFFAOYSA-N 403.395 2.398 5 40 HEBB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]23)c(OC)c1 103548758 BRJUXKBPZYTFHY-SJLPKXTDSA-N 411.370 2.213 5 40 HEBB COC(=O)c1sc2ncn3nc(Cn4nc(C)c([N+](=O)[O-])c4C)nc3c2c1C 2791294 OHNORPAUMIJYSO-UHFFFAOYSA-N 401.408 2.204 5 40 HEBB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1cccc(NC(=O)c2ccco2)c1 40087346 WCXCBVXJBIECLN-UHFFFAOYSA-N 422.397 2.486 5 40 HEBB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1 222861699 MZTLWMBQFTYBFX-UHFFFAOYSA-N 405.845 2.495 5 40 HEBB O=C(COc1cc(F)ccc1[N+](=O)[O-])N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 9592667 ZCCUDSSWYWDHCV-MRXNPFEDSA-N 422.434 2.329 5 40 HEBB CCN1CCN(Cc2ccccc2CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 41629263 ZQZJKBBSWHRTID-UHFFFAOYSA-N 418.519 2.211 5 40 HEBB CN(C)CCO[C@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 83851126 DJNCBEOJASFYST-NSHDSACASA-N 411.402 2.045 5 40 HEBB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225437350 CYVKSOFSDFQELG-ZDUSSCGKSA-N 419.409 2.285 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N1CCOCC1 7363384 NRYLVGXAYCOCMG-UHFFFAOYSA-N 405.432 2.176 5 40 HEBB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 16039102 FDZPDWQOFWXZEN-IYWMVGAKSA-N 418.409 2.371 5 40 HEBB Cc1cccc(N2CCN(CCNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 26834304 LARNMCBTNMXNHS-UHFFFAOYSA-N 404.492 2.004 5 40 HEBB O=C(COC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)Nc1ccc(F)c([N+](=O)[O-])c1 32922212 MOYYSKNPIVXHGR-CYBMUJFWSA-N 422.413 2.143 5 40 HEBB COC(=O)Cn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2cc3c(cc21)OCO3 101035419 OQUSATBZFRBOQB-HNENSFHCSA-N 415.383 2.254 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20245747 MYXGZGAAVCSLOT-UHFFFAOYSA-N 408.436 2.098 5 40 HEBB CN1C(=O)c2ccc(NC(=O)COC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2C1=O 25374020 NGINTEKAFDKSGB-UHFFFAOYSA-N 417.761 2.270 5 40 HEBB COC(=O)c1ccc(C)c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 218305907 MEFMLTUCAMEJSQ-UHFFFAOYSA-N 421.431 2.095 5 40 HEBB COC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224755601 NAKVEPXEPSHJHX-UHFFFAOYSA-N 422.415 2.058 5 40 HEBB O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4497626 MMABRUWLBDXZOZ-VOGXCRAGSA-N 409.398 2.301 5 40 HEBB CCN(C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1=CCCCC1 7006683 NOAZWBQWYQHLRM-UHFFFAOYSA-N 415.402 2.040 5 40 HEBB CCOc1ccc(C(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 40059624 KIAMUHUPAYVYEV-CYBMUJFWSA-N 408.436 2.110 5 40 HEBB CCO[C@@H](C)C(=O)OC[C@@H](C(=O)OC1C[C@@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)c1ccccc1 104325521 BWDLFAFAWSQDLQ-GFAFPHQNSA-N 418.510 2.039 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(NC(N)=O)cc1 2654215 RRMPSZSSURGUGD-JTQLQIEISA-N 402.363 2.278 5 40 HEBB CNS(=O)(=O)c1ccc(N[C@@H](c2ccccc2)c2nccn2C)c([N+](=O)[O-])c1 12580102 RBKJBRMBWHCPTG-KRWDZBQOSA-N 401.448 2.438 5 40 HEBB CCOc1ccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 96004673 UBDYHTCJZFFADA-ZDUSSCGKSA-N 423.466 2.302 5 40 HEBB CC(=O)OCCCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 4891566 UQYSUPBEYUWHKJ-VBKFSLOCSA-N 401.375 2.028 5 40 HEBB C[C@@H]1CN(CCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 12557641 YFLGQDIYZMCZSF-IAGOWNOFSA-N 404.511 2.427 5 40 HEBB C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 14924060 NTMHOQTXKAWFOY-MRXNPFEDSA-N 411.462 2.131 5 40 HEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)Cc1ccccc1 31936955 HLBPPXKLFNRQFM-DAFNUICNSA-N 416.437 2.033 5 40 HEBB O=C(CN(CCN1CCOCC1)C1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 95446687 WJEYAJYVTTWLDA-UHFFFAOYSA-N 402.495 2.061 5 40 HEBB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 223770898 PMUNGCCHVNEUQR-UHFFFAOYSA-N 404.404 2.474 5 40 HEBB O=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 38302637 SWYQUFPWYBDZLR-UHFFFAOYSA-N 412.446 2.299 5 40 HEBB COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])ccc2OC)cc1 40115981 UNHZZMSAVICITL-GJZGRUSLSA-N 421.431 2.108 5 40 HEBB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccc([N+](=O)[O-])cc1 4166030 MVCCUZPPFRAFLP-UHFFFAOYSA-N 408.349 2.268 5 40 HEBB O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccccc1C(=S)N1CCOCC1 4543444 HVKOWYYMIJKBRR-UHFFFAOYSA-N 408.457 2.370 5 40 HEBB COc1ccc(NC(=O)CN2CCC(NC(=O)c3ccco3)CC2)c([N+](=O)[O-])c1 4909025 YKOWKDRYDUSSIE-UHFFFAOYSA-N 402.407 2.029 5 40 HEBB O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 4982721 IONXSTIZFDROLV-UHFFFAOYSA-N 409.489 2.373 5 40 HEBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1S(=O)(=O)N1CCOCC1 9507282 IYOYRXNSHLXJBV-UHFFFAOYSA-N 411.461 2.238 5 40 HEBB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)c1 223761500 XEEUKVBQSWMONG-UHFFFAOYSA-N 404.404 2.474 5 40 HEBB C[C@H]1CCCC[C@H]1NC(=O)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 4981478 BOQNALBMIRWPLB-HNAYVOBHSA-N 402.495 2.484 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1[N+](=O)[O-] 12767988 IAXJRIFOQYGKIJ-UHFFFAOYSA-N 417.487 2.345 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)N1CCc2sccc2C1 41965324 YUCRZDULJCLAFR-CYBMUJFWSA-N 402.476 2.466 5 40 HEBB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 409332021 GIVYRJYPQZIHKZ-KSCDAYEDSA-N 406.394 2.457 5 40 HEBB CCS(=O)(=O)N1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)Oc2ccccc21 13677712 YYXHZTAPANSACW-QGZVFWFLSA-N 405.432 2.459 5 40 HEBB Cc1ccc(N2C[C@H](C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1F 12918823 VKRHTOIYMKUYQZ-KDOFPFPSSA-N 401.394 2.245 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCOCC1 23106852 GZYMZHMORVBWBA-MRXNPFEDSA-N 418.475 2.093 5 40 HEBB CCOc1cc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)ccc1[N+](=O)[O-] 72307787 OJBMZPRMDXAQCD-UHFFFAOYSA-N 415.475 2.385 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)c(C)c1 5419332 MCJOTCNJCBQGAV-UHFFFAOYSA-N 417.487 2.287 5 40 HEBB CC1CCN(S(=O)(=O)c2ccc(NCCCN3CCCC3=O)c([N+](=O)[O-])c2)CC1 8147076 IWMKQLYNYLRBBY-UHFFFAOYSA-N 424.523 2.440 5 40 HEBB Cc1c(CN2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cccc1[N+](=O)[O-] 52242568 HRXUVJIZDLTARI-UHFFFAOYSA-N 417.487 2.487 5 40 HEBB O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1Cc1ccccc1 8974817 DWEUHKZXUGFAPK-GCJKJVERSA-N 420.425 2.385 5 40 HEBB O=[N+]([O-])c1ccc(-c2nnc(O)c3c2[C@@H](c2cccc(O)c2)n2nnnc2N3)cc1 10296408 CDOWBHQHMKLAMN-MRXNPFEDSA-N 404.346 2.144 5 40 HEBB COc1ccccc1CSc1nnc(Nc2ccc([N+](=O)[O-])cc2)c(=O)n1N 28535274 RBUHXZNATKQWHM-UHFFFAOYSA-N 400.420 2.305 5 40 HEBB COc1ccc(-n2ccc3nc4ccn(-c5nc(C)n[nH]5)c(=O)c4cc3c2=O)cc1 40398593 FSMAJOXZAHPUHJ-UHFFFAOYSA-N 400.398 2.125 5 40 HEBB O=C([C@H]1CCCN(C(=O)N2CCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 46690968 CHHTVBWGCQCFDK-KRWDZBQOSA-N 415.494 2.171 5 40 HEBB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1N 3368398 GFTYHXRPTAUAOO-UHFFFAOYSA-N 418.410 2.446 5 40 HEBB O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)N2CCCC2)c1 5636389 WTNUFUMRCHSBDO-UHFFFAOYSA-N 405.432 2.397 5 40 HEBB C[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)N[C@@H](C)c1ccccc1 11672854 QPIFLSABHIZKMO-STQMWFEESA-N 420.443 2.421 5 40 HEBB COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCSC)cc([N+](=O)[O-])c1O 34846687 DYRLJVMVAOETRF-CQSZACIVSA-N 411.436 2.185 5 40 HEBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)O[C@@H](C)C3)n2)c1 9411388 BFHXDZLHHDYOMY-QWRGUYRKSA-N 404.427 2.341 5 40 HEBB O=C(NCC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)c1cccc([N+](=O)[O-])c1 14202024 YIDTXBARZWZHNK-UHFFFAOYSA-N 411.414 2.152 5 40 HEBB CCOC(=O)[C@@H]1CCCN(c2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1 15208598 SUOXDGVFXBUEMN-CYBMUJFWSA-N 413.496 2.451 5 40 HEBB COc1ccc(NC(=O)[C@H](C)N2CCN(Cc3cc(C)no3)CC2)c([N+](=O)[O-])c1 22254910 LNOLDYWCKAAOCK-AWEZNQCLSA-N 403.439 2.045 5 40 HEBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](C)Cn1ccnc1 48235834 DGLPAKBIXVQWAP-BLLLJJGKSA-N 407.858 2.404 5 40 HEBB Cc1ccc(S(=O)(=O)NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 5363372 HLCAJYOUAXSPEJ-UHFFFAOYSA-N 404.448 2.124 5 40 HEBB O=C(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 7889250 JLCLCEACQJZBES-UHFFFAOYSA-N 415.471 2.230 5 40 HEBB C[C@@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12538042 ZMEIJRRKSJFWNE-YPMHNXCESA-N 414.384 2.034 5 40 HEBB COc1ccc(CNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220384201 GRHNJANWWIPAFY-CQSZACIVSA-N 421.475 2.383 5 40 HEBB COC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225034353 YFGBKEGDTBQFPR-UHFFFAOYSA-N 422.415 2.058 5 40 HEBB C[C@H]1CN(C(=O)C2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)C[C@H](C)O1 48274206 ASDAZMZQXLDOPD-GJZGRUSLSA-N 401.467 2.250 5 40 HEBB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 3484964 NCNHNEJWASBTEJ-GFCCVEGCSA-N 421.431 2.029 5 40 HEBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc2c(c1)OC(F)(F)O2 6528317 CJRXCBGKCIPIHT-UHFFFAOYSA-N 405.269 2.151 5 40 HEBB CCN(CC)CCSc1nc(N)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c(=O)[nH]1 10243321 FAHAVWWGJUUNRX-UHFFFAOYSA-N 420.495 2.255 5 40 HEBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H](C)C(C)C)S(C)(=O)=O 225227811 HDDLHNNIGMETKO-ZDUSSCGKSA-N 401.485 2.310 5 40 HEBB CCc1nc(S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)O)n[nH]1 408632805 SYAMVBACNCWJIC-UVTDQMKNSA-N 405.436 2.330 5 40 HEBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1ccc(Cl)cc1 990558 KLMIKWRBPAOHDV-UHFFFAOYSA-N 402.746 2.270 5 40 HEBB O=C(/C=C/c1ccc(O)cc1)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 58438743 DERMDUXPASJRQN-XCVCLJGOSA-N 411.414 2.206 5 40 HEBB CCOC(=O)[C@@]1(C(C)C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 619500145 MUHSQJIDEMGOAA-KRWDZBQOSA-N 400.453 2.203 5 40 HEBB C[C@H](C(=O)NCCN(C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220418920 LOGDJKJUHQAQNJ-OAHLLOKOSA-N 420.491 2.002 5 40 HEBB CCN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N(C)C1=S 4624649 BPKPJHLOCGKLCP-DNVCBOLYSA-N 402.476 2.102 5 40 HEBB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20857193 LJEYMQNAZGXVJX-GASCZTMLSA-N 405.451 2.378 5 40 HEBB CCOc1ccc(N2C[C@@H](NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 5222097 JMCDYBLOZHRQOD-ZDUSSCGKSA-N 405.432 2.077 5 40 HEBB O=C(COc1cc(F)ccc1[N+](=O)[O-])N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 13102426 ZCCUDSSWYWDHCV-INIZCTEOSA-N 422.434 2.329 5 40 HEBB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccc(Cl)c([N+](=O)[O-])c1 5166092 XBICHPQQMSFHCC-UHFFFAOYSA-N 402.750 2.280 5 40 HEBB COc1ccc(CNC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)cc1 12545779 UFNPMSAPXRNOND-UHFFFAOYSA-N 412.446 2.202 5 40 HEBB O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 216405056 GIWORIZIYKAMIY-INIZCTEOSA-N 419.459 2.446 5 40 HEBB COc1cccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 220170115 GZOUVHOMPIKZRP-GFCCVEGCSA-N 423.447 2.405 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 225859612 SNXDNGJOJDRITL-GFCCVEGCSA-N 423.447 2.405 5 40 HEBB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)Nc1cccc([N+](=O)[O-])c1 3529520 SURRNZNXKWRBKK-LBPRGKRZSA-N 422.397 2.435 5 40 HEBB COC(=O)[C@H](C(=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc([N+](=O)[O-])cc2nc1O 8659597 RAGNDLSPJURXAF-HNNXBMFYSA-N 424.369 2.016 5 40 HEBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N1CCN(c2ncccn2)CC1 9306655 CYCMMSYNWQPDQT-UHFFFAOYSA-N 416.437 2.464 5 40 HEBB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1CCc1ccccc1 40050066 XYHMYZQZULDVDW-UHFFFAOYSA-N 422.441 2.399 5 40 HEBB O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1 54200504 AORSRHOVBVBJFJ-UHFFFAOYSA-N 414.237 2.274 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC(=O)Nc1ccc(C)cn1 58215442 NUPLOAYWCMLDJR-ZDUSSCGKSA-N 401.423 2.204 5 40 HEBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2O[C@H]3[C@@H]3ON=C(c4cccc([N+](=O)[O-])c4)[C@@H]23)cc1 248093425 HQPFZCOCKIJOOR-OTCXFQBHSA-N 419.393 2.209 5 40 HEBB CC(C)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 9012302 FGMRIYXBKDSDSE-FOUBCARRSA-N 420.425 2.176 5 40 HEBB COc1ccc(CCNC(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC 1939392 DUYCCRWFTUXRMU-UHFFFAOYSA-N 402.403 2.436 5 40 HEBB CN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N(C)C1=S 6672855 OZYLHKINEUHKPI-HNNXBMFYSA-N 402.476 2.102 5 40 HEBB Cc1cc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1C 10834073 UINBVUGLZCGCTN-HNNXBMFYSA-N 421.475 2.432 5 40 HEBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(NS(=O)(=O)c2ccccc2)CC1 12537191 LHSFOBKCXPZOQI-UHFFFAOYSA-N 419.459 2.329 5 40 HEBB COC(=O)c1cc(C(=O)Nc2ccc(C(=O)NCCO)c(Cl)c2)cc([N+](=O)[O-])c1 40156478 CLPDDMNNPNTNNT-UHFFFAOYSA-N 421.793 2.009 5 40 HEBB O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408679645 GUDXVFWLFZLXMJ-QAPCUYQASA-N 423.425 2.097 5 40 HEBB O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc2c(c1)OC(F)(F)O2 15322696 HDTXJKQGYNTBJX-UHFFFAOYSA-N 410.333 2.371 5 40 HEBB Cc1nn(C)c2ncc(C(=O)OCC(=O)N3CCCc4cc([N+](=O)[O-])ccc43)cc12 24199840 DKMRYFUYNZNNDV-UHFFFAOYSA-N 409.402 2.321 5 40 HEBB CN(C)[C@H](CNC(=O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 95941558 QYNQWGVBONDUJF-OAQYLSRUSA-N 411.506 2.136 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cccc(N2C(=O)C=CC2=O)c1 409219484 QZZDUVAYYWDHKN-UHFFFAOYSA-N 409.354 2.128 5 40 HEBB COc1ccccc1-n1ccc2nc3ccn(-c4nc(C)n[nH]4)c(=O)c3cc2c1=O 40398591 MQUCREMZSLYWEG-UHFFFAOYSA-N 400.398 2.125 5 40 HEBB C[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 3484962 NCNHNEJWASBTEJ-LBPRGKRZSA-N 421.431 2.029 5 40 HEBB CCOCCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 4679558 MIIJFDTWAFXXMP-UHFFFAOYSA-N 421.475 2.333 5 40 HEBB Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1[N+](=O)[O-] 6787831 CVVNRCSGMKKFKU-UHFFFAOYSA-N 405.432 2.176 5 40 HEBB C[C@H](OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 12823259 VULZGFVEYAFKTQ-RYUDHWBXSA-N 411.370 2.150 5 40 HEBB Cn1c(CN2CCN(C(=O)COc3ccccc3)CC2)nc2cc([N+](=O)[O-])ccc21 13003476 BWOBOLKHTXTPAB-UHFFFAOYSA-N 409.446 2.205 5 40 HEBB Cc1sc2ncn(CCC(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)c(=O)c2c1C 14199224 OCPYZLUONOSTPE-OAHLLOKOSA-N 416.459 2.223 5 40 HEBB COC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccc(OC)cc2)c1=N 100753308 UIYFTMGDUUQMCO-UHFFFAOYSA-N 404.426 2.167 5 40 HEBB biogenic COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)N3)cc1 20729978 QURBGGJOEIKVIB-HNNXBMFYSA-N 408.374 2.384 5 40 HEBB COc1cc(CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F 15135487 GRFRHPQZQFUZGQ-UHFFFAOYSA-N 423.372 2.294 5 40 HEBB COc1cccc(CNC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)c1 12801326 ASQALEJFGLBSIC-UHFFFAOYSA-N 412.446 2.202 5 40 HEBB CCOC(=O)C1=C(C)n2c(sc(=C(C)C)c2=O)=N[C@@H]1c1cccc([N+](=O)[O-])c1 408731920 QUBFTMURFSCZQW-OAHLLOKOSA-N 401.444 2.177 5 40 HEBB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 3337887 NVFLCTYHASMPBJ-HXUWFJFHSA-N 411.370 2.191 5 40 HEBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 25277921 VPAQYXODIQXBPH-UHFFFAOYSA-N 419.459 2.267 5 40 HEBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] 7940079 AKLDZXFIODIQCJ-INIZCTEOSA-N 411.414 2.434 5 40 HEBB C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccccc1 12943510 CWDFUSRZVVVWHH-VXGBXAGGSA-N 411.370 2.150 5 40 HEBB CCOC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224759887 XFRFXRYPKUUDRM-UHFFFAOYSA-N 422.415 2.140 5 40 HEBB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 9525986 LYMKXHBESVPXQR-ZDUSSCGKSA-N 413.386 2.138 5 40 HEBB CCOC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225025974 GKKVURPUYQHMCR-UHFFFAOYSA-N 422.415 2.140 5 40 HEBB O=c1/c(=C/c2cc([N+](=O)[O-])ccc2O)sc2nc3cc(Br)cnc3n12 33797903 SQKCYRDMFXPNJK-QCDXTXTGSA-N 419.216 2.228 5 40 HEBB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@H]23)cc1OC 101273486 GPTJDNKNJXNIQE-AEFFLSMTSA-N 411.370 2.213 5 40 HEBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251354 XNGZMNWEKLPPFH-DHZHZOJOSA-N 402.370 2.274 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219437371 SJXMOMYVLJKFJA-UHFFFAOYSA-N 403.416 2.467 5 40 HEBB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 8433891 AFARZWDOBIIRFU-ZDUSSCGKSA-N 413.386 2.138 5 40 HEBB O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 13388970 JORKRVVVGCIHDF-UHFFFAOYSA-N 403.742 2.449 5 40 HEBB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2cc([N+](=O)[O-])ccc2C)cc1 224900010 KYCJZCSJAXTLPP-UHFFFAOYSA-N 407.404 2.142 5 40 HEBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CSc3nc4ccccc4[nH]3)cc21 408545193 ZPEHRTSTUPXWIB-UHFFFAOYSA-N 412.431 2.392 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 408706172 WPRLNYIXACMSTE-UHFFFAOYSA-N 407.448 2.312 5 40 HEBB Cn1c(=O)ccn(CC(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)c1=O 89741026 CDDPBYGLNBBKPM-UHFFFAOYSA-N 418.456 2.307 5 40 HEBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](c1ccccc1)N1CCOCC1 45806220 KFDKQVXWZIDQNF-SFHVURJKSA-N 405.476 2.255 5 40 HEBB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220414763 LHKBJWQBHXVBKU-GFCCVEGCSA-N 421.431 2.175 5 40 HEBB COc1ccccc1N1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]2CS(=O)(=O)C[C@H]21 4393690 UFXZDMMMVSOULU-HZPDHXFCSA-N 403.416 2.216 5 40 HEBB COC(=O)c1sc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c(C(=O)OC)c1C 12773247 DWJPFBAWORPEIG-UHFFFAOYSA-N 424.435 2.380 5 40 HEBB COC(=O)c1ccc(OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1 22222994 IMHSBLVZLBYLFY-UHFFFAOYSA-N 420.374 2.425 5 40 HEBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 72278433 MNOKAJBBNMNBJT-UHFFFAOYSA-N 418.475 2.406 5 40 HEBB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 3372714 LFQGBIFUVWGICJ-GFCCVEGCSA-N 418.402 2.482 5 40 HEBB CCOC(=O)c1ccc(N(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(C)=O)cc1 778016 YAACZFHHAPFOKC-UHFFFAOYSA-N 411.370 2.378 5 40 HEBB C[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cn1 9316300 LGPAXUMUWINNLW-NSHDSACASA-N 420.809 2.334 5 40 HEBB O=c1[nH]c2nc3ccccc3n2c2cc(Cl)c(S(=O)(=O)N3CCOCC3)cc12 9950369 DHGDIRUIZQAERD-UHFFFAOYSA-N 418.862 2.003 5 40 HEBB CCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n[nH]c1=O 12486742 OQAFGRVKAKRPGH-UHFFFAOYSA-N 416.257 2.383 5 40 HEBB CN(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C1CCCCC1 23078737 VBTIYVGWJHFSBH-UHFFFAOYSA-N 405.451 2.379 5 40 HEBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc([N+](=O)[O-])cc1 59387091 XOHBOSSSNCGTJL-CYBMUJFWSA-N 413.342 2.282 5 40 HEBB COc1cccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@@H]23)c1OC 102890014 HFKWXGCJPXGDAT-MAUKXSAKSA-N 411.370 2.213 5 40 HEBB O=C(OCC(=O)N1CCc2ccccc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4839473 GZEKCBLQJNGACT-UHFFFAOYSA-N 411.414 2.178 5 40 HEBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cccc([N+](=O)[O-])c1 8036798 SXNUYCQHGPNEME-LBPRGKRZSA-N 401.350 2.269 5 40 HEBB Cc1cc2c(cc1S(=O)(=O)N1CCOCC1)Oc1ccc([N+](=O)[O-])cc1C(=O)N2 15084201 MNYOIUXNIBFRFK-UHFFFAOYSA-N 419.415 2.282 5 40 HEBB CCn1nc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c2ccccc2c1=O 3359844 FRJZPRXQOJCJLS-UHFFFAOYSA-N 414.349 2.259 5 40 HEBB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1[N+](=O)[O-] 5981202 SKSWAEKCPXXCTP-UHFFFAOYSA-N 409.757 2.299 5 40 HEBB Cc1cccc(CN2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)c1 39969261 MYFHNPNXAZEDER-UHFFFAOYSA-N 410.430 2.156 5 40 HEBB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 3311513 VNOCNEUNLNVWKZ-UHFFFAOYSA-N 417.761 2.026 5 40 HEBB O=C(O)COc1ccc(Br)cc1/C=C\c1nc(O)nc(O)c1[N+](=O)[O-] 409320793 CJSIXTYGRPPJHX-IWQZZHSRSA-N 412.152 2.192 5 40 HEBB Cc1c(C(=O)NCc2nnc(SCC(=O)N3CCCCC3)o2)cccc1[N+](=O)[O-] 9518640 OMHKGSSDUGMQHT-UHFFFAOYSA-N 419.463 2.321 5 40 HEBB C[C@H]1CN(C(=O)C2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)C[C@@H](C)O1 45801705 XDHVQWQPXFRAMT-GASCZTMLSA-N 401.467 2.250 5 40 HEBB O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 229856071 WMOIDSVFHDUYQF-KCXPTXFHSA-N 418.409 2.026 5 40 HEBB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4569433 OHLKQEUEJQZRSX-INIZCTEOSA-N 419.459 2.187 5 40 HEBB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc([N+](=O)[O-])c3)cc2)C1 25451866 VSOASVVHGUGPHS-KBPBESRZSA-N 421.479 2.097 5 40 HEBB O=C1C[C@@H](NC2CCN(c3ncccc3[N+](=O)[O-])CC2)C(=O)N1c1ccc(F)cc1 100213539 RSNNJCRTWRJTLH-MRXNPFEDSA-N 413.409 2.019 5 40 HEBB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3N3CCCN23)cc1 100798547 LFJYIJPHPSWGEJ-OTWHNJEPSA-N 408.414 2.139 5 40 HEBB CNC(=O)NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC 9156625 VPEBSXAFILTUHL-UHFFFAOYSA-N 415.431 2.490 5 40 HEBB Cc1nn2c(SCC(=O)NCCc3ccccc3)nc3ccccc3c2nc1=O 58046974 BRDMUDFPOAPZOT-UHFFFAOYSA-N 405.483 2.397 5 40 HEBB COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225077027 PBGSPHQQDJIOMH-UHFFFAOYSA-N 424.431 2.289 5 40 HEBB COc1ccc(CN(C)C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 7871824 KRWSAQGMACQTOH-UHFFFAOYSA-N 407.448 2.028 5 40 HEBB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 9890352 ZEFUMIYFHWIASY-UHFFFAOYSA-N 420.491 2.108 5 40 HEBB CN1CCN(n2c3c(c(SCc4cccc([N+](=O)[O-])c4)nc2=O)CCCC3)CC1 10255210 OZUSIMPBYGXQNR-UHFFFAOYSA-N 415.519 2.206 5 40 HEBB CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(Nc1ccccc1C(=O)O)C2=O 35326637 CCTWOLQVKMOGJR-KRWDZBQOSA-N 423.385 2.113 5 40 HEBB Cc1cccn2c(=O)c3cc(C(=O)NC(C)C)c(=N)n(Cc4cccnc4)c3nc12 101136835 HKEXAPNOCSMJMX-UHFFFAOYSA-N 402.458 2.019 5 40 HEBB Cc1nn(Cc2nc3c4c(C)c(C(=O)N(C)C)sc4ncn3n2)c(C)c1[N+](=O)[O-] 2791445 JRLJVZHLPXLFHK-UHFFFAOYSA-N 414.451 2.119 5 40 HEBB COc1ccc(OC)c2c1CN(Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)C[C@@H]2O 29543593 LDVQRGCUVLSDLS-INIZCTEOSA-N 411.418 2.377 5 40 HEBB COC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225080572 YHAZWCWFHJMGDY-UHFFFAOYSA-N 408.388 2.000 5 40 HEBB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)c3ccccc3C1=N2 649633 AGRTXIWHJHQUKK-HZPDHXFCSA-N 416.393 2.071 5 40 HEBB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)n1 1779607 DPYQABPXNYAKHU-UHFFFAOYSA-N 403.376 2.339 5 40 HEBB O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 7805020 MHDSQEBVMMHBFP-UHFFFAOYSA-N 415.427 2.488 5 40 HEBB O=C(O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 12374661 VIDFYWQCTXRSSE-HNNXBMFYSA-N 406.372 2.151 5 40 HEBB Cc1cccc(NC(=O)COc2ccc(/C=C\c3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])cc2)c1 13544910 DRERXXIFEGSVDR-YFHOEESVSA-N 422.397 2.468 5 40 HEBB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286244 SRBGDPKPDFHXJP-SFHVURJKSA-N 402.451 2.498 5 40 HEBB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)c(OC)c1 104067896 HQFBSTJYGJNOAN-WMZOPIPTSA-N 411.370 2.213 5 40 HEBB COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccccc1[N+](=O)[O-] 3636604 WWWVAEOOKGLDFK-IAQYHMDHSA-N 405.432 2.433 5 40 HEBB C[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 8038756 CSDAJIPTNWMUHE-HOCLYGCPSA-N 411.414 2.368 5 40 HEBB COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1S(=O)(=O)N1CCCCC1 8704782 KKHYIZFYEOUOEQ-UHFFFAOYSA-N 408.436 2.358 5 40 HEBB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1C(=O)c3ccccc3C1=N2 649634 AGRTXIWHJHQUKK-CVEARBPZSA-N 416.393 2.071 5 40 HEBB COCCn1c(-c2cccc([N+](=O)[O-])c2)nc2c(c(=O)c3ccccc3n2C)c1=O 2196923 YPXFTJLNCJYEHJ-UHFFFAOYSA-N 406.398 2.470 5 40 HEBB Cc1ccc(N2C(=O)[C@H]3[C@H]4O[C@@H]([C@H]5ON=C(c6ccc([N+](=O)[O-])cc6)[C@@H]54)[C@@H]3C2=O)cc1 102850729 YNTRSSRUMSYCTL-NGIBWZRKSA-N 419.393 2.209 5 40 HEBB COc1ccc(-c2nnc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n23)cc1OC 9187934 IXOLRBMQGVUNIL-SXGWCWSVSA-N 410.411 2.291 5 40 HEBB COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])ccc2OC)cc1 40115978 UNHZZMSAVICITL-CABCVRRESA-N 421.431 2.108 5 40 HEBB CCOC(=O)CN(CC(F)(F)F)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 60247071 ZXUHCAYSPAWOPR-UHFFFAOYSA-N 400.313 2.348 5 40 HEBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611888 RBVHEYXJAOCVQS-UHFFFAOYSA-N 402.363 2.357 5 40 HEBB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCCc2c1cccc2[N+](=O)[O-] 89400564 MMANFTGVMQAJOQ-HXUWFJFHSA-N 409.442 2.474 5 40 HEBB COc1cccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 220170059 GZOUVHOMPIKZRP-LBPRGKRZSA-N 423.447 2.405 5 40 HEBB CCn1cc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)c2ccc(C)nc21 3248613 UJZBPVRWCHLPDO-UHFFFAOYSA-N 410.386 2.429 5 40 HEBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8164721 JBGZIMBFUWVASX-DHZHZOJOSA-N 415.471 2.282 5 40 HEBB O=[N+]([O-])c1cccc(-c2nnc(O)c3c2[C@@H](c2cccc(O)c2)n2nnnc2N3)c1 10296721 IDLLVIPHLFDFTB-MRXNPFEDSA-N 404.346 2.144 5 40 HEBB Cn1cnc([N+](=O)[O-])c1N1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 31792226 JANKNAPXUDMUCG-GOSISDBHSA-N 412.494 2.204 5 40 HEBB O=C(Nc1ccc(S(=O)(=O)CCO)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 96012033 UTYRSSVBWMCVBP-UHFFFAOYSA-N 405.432 2.187 5 40 HEBB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2O[C@H]3[C@H]3C(c4ccc([N+](=O)[O-])cc4)=NO[C@H]23)cc1 102850736 YNTRSSRUMSYCTL-VBQNUUEISA-N 419.393 2.209 5 40 HEBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCCN21 230045990 WZBGXKYTPCROJF-OKYOBFRVSA-N 405.410 2.430 5 40 HEBB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)Oc2ccccc21 10009204 HBLHKDIANPGKOQ-KRWDZBQOSA-N 405.432 2.459 5 40 HEBB Cc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 12799346 KHQSHLGLZWAVIF-SFHVURJKSA-N 405.476 2.255 5 40 HEBB CCCCN(C(=O)c1ccc([N+](=O)[O-])s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 12850903 VDNMBYFASMJELD-UHFFFAOYSA-N 409.468 2.191 5 40 HEBB COCc1n[nH]c(-n2ccc3nc4ccn(C5CCCCC5)c(=O)c4cc3c2=O)n1 40398990 OKOJEWZPWABRLZ-UHFFFAOYSA-N 406.446 2.470 5 40 HEBB COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3ccc(Cl)c([N+](=O)[O-])c3)s2)cc1 105630325 HIPMQKFCVGXZMQ-XFQWXJFMSA-N 416.842 2.499 5 40 HEBB O=[N+]([O-])c1cccc(-c2nnc(O)c3c2[C@@H](c2ccc(O)cc2)n2nnnc2N3)c1 10296732 UADUYVHEWJYIJC-MRXNPFEDSA-N 404.346 2.144 5 40 HEBB CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O[C@@H](C)C(=O)NC1CC1 32910754 OTPFNDIDSBUOAT-ZUZCIYMTSA-N 411.842 2.213 5 40 HEBB COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224756369 WUDOLOUHXATNCU-UHFFFAOYSA-N 409.376 2.180 5 40 HEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(C)Cc1ccc(C)cc1)S(C)(=O)=O 44839903 OMYNBHKIYSNNOM-UHFFFAOYSA-N 421.475 2.336 5 40 HEBB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 29847406 YGEMFJXCBATRDE-CQSZACIVSA-N 405.432 2.188 5 40 HEBB COc1cc2c(cc1OC)[C@@]13CC[N@+]4([O-])CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34 253686993 HHHQMKWPZAYIAE-FOLRAUNTSA-N 410.470 2.122 5 40 HEBB in-vitro O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)NCc1ccc(Cl)cc1 6533049 WWSSGURVDNMNDQ-UHFFFAOYSA-N 407.810 2.126 5 40 HEBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 8286307 COBKJFIUEWJUBS-INIZCTEOSA-N 405.432 2.304 5 40 HEBB O=C(c1ccccc1)N1CCN(C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 9056503 UGMJZIXBCMWWSK-UHFFFAOYSA-N 424.457 2.030 5 40 HEBB O=[N+]([O-])c1cccc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 13784452 AJUBBBGIIOBQQM-UHFFFAOYSA-N 406.489 2.298 5 40 HEBB NC(=O)CCn1c(SCCOc2cccc([N+](=O)[O-])c2)nnc1-c1ccco1 40127883 PGUPPGHNQODBTO-UHFFFAOYSA-N 403.420 2.493 5 40 HEBB CS(=O)(=O)c1ccc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1[N+](=O)[O-] 9510283 SUYDFKXOVMMSNS-UHFFFAOYSA-N 419.367 2.167 5 40 HEBB CCN(CC)S(=O)(=O)c1ccc(NC[C@@H](CO)Cc2ccco2)c([N+](=O)[O-])c1 24205822 OXMQUOXEFVUGJC-AWEZNQCLSA-N 411.480 2.481 5 40 HEBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N(Cc1ccco1)CC(F)(F)F 56825621 UXGXCRAPHHTJPB-UHFFFAOYSA-N 411.292 2.375 5 40 HEBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCC(=O)c1ccc(N)cc1 72312559 LHMKKCNYNKFAEA-UHFFFAOYSA-N 401.375 2.330 5 40 HEBB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)cc1OC 101362111 YJXOSFDDGICVCQ-SJLPKXTDSA-N 411.370 2.213 5 40 HEBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 6331697 SKEZNLNWMOXATL-YDWXAUTNSA-N 410.386 2.462 5 40 HEBB Cc1ccc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1 36446967 QOIAKBJTUOHPSB-UHFFFAOYSA-N 404.492 2.451 5 40 HEBB C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccccc1 8433875 VQFYACFLFDNOII-ZBFHGGJFSA-N 411.414 2.368 5 40 HEBB COCc1n[nH]c(-n2ccc3nc4ccn(-c5ccc(C)cc5)c(=O)c4cc3c2=O)n1 40398965 SVHNGELHSIFPCD-UHFFFAOYSA-N 414.425 2.263 5 40 HEBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]1(C(=O)Nc3ccccc31)N1CCC[C@H]21 103518163 PTAAMSSDVVNNBX-IDVKNYFZSA-N 418.409 2.026 5 40 HEBB O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 19298444 BQPVNGPYPFNLFZ-SFHVURJKSA-N 414.370 2.080 5 40 HEBB O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 7728411 YSNNUWHHLXMIRJ-CYBMUJFWSA-N 405.432 2.304 5 40 HEBB O=C(O)/C=C/C(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1 17093710 KUAURMNKNUGBDA-ONEGZZNKSA-N 423.834 2.388 5 40 HEBB COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21 40375300 DEIZIUASTIATLK-AWEZNQCLSA-N 408.374 2.384 5 40 HEBB O=C(N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1)C(Cl)(Cl)Cl 70461915 XVFNZZSJQREGLD-UHFFFAOYSA-N 419.656 2.194 5 40 HEBB Cn1ncc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1C(F)F 95442251 AXTHIWZEVVTHAD-UHFFFAOYSA-N 417.394 2.030 5 40 HEBB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225208273 XPLGKWTYLXUIMT-CQSZACIVSA-N 401.419 2.146 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(NC(N)=O)cc1 2654216 RRMPSZSSURGUGD-SNVBAGLBSA-N 402.363 2.278 5 40 HEBB C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1 4889919 KGPRHQFYZHZTNB-HNNXBMFYSA-N 413.430 2.466 5 40 HEBB CC[C@H](C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O 8994237 FTULSNBLRBFGCO-BXJCWQANSA-N 400.435 2.373 5 40 HEBB CS(=O)(=O)[C@](Cl)(I)C(=O)c1ccc([N+](=O)[O-])cc1 96518230 YMPAXHGFZWNFRI-SECBINFHSA-N 403.581 2.150 5 40 HEBB COC(=O)c1cc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc([N+](=O)[O-])c1 26718823 XCLRGIUOKUIJRG-UHFFFAOYSA-N 417.761 2.400 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(C(F)(F)F)n1N 36640275 MSWOSBYYZJIZJY-LURJTMIESA-N 406.346 2.047 5 40 HEBB CS(=O)(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 408617922 HUCHPFSSRUKUSK-UHFFFAOYSA-N 407.492 2.446 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 10826661 YYRIVLVLQBLCOL-MRXNPFEDSA-N 419.459 2.236 5 40 HEBB Cc1ccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1 4850863 UMQWNKFPKRKGDF-FQEVSTJZSA-N 418.519 2.170 5 40 HEBB COc1ccc(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 5466958 GRCULDRIWSWOJB-SFHVURJKSA-N 400.387 2.360 5 40 HEBB NC(=O)c1ccsc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 8825188 SGOBTBRHGGZAHB-UHFFFAOYSA-N 418.431 2.151 5 40 HEBB Cc1nn(C(=O)COc2ccccc2[N+](=O)[O-])c(C)c1S(=O)(=O)N1CCCCC1 28297212 BUAOCHZTDATRLY-UHFFFAOYSA-N 422.463 2.302 5 40 HEBB CCc1nc(CN2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 30571495 XYALUWPTUYUDTL-UHFFFAOYSA-N 410.521 2.429 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38859800 HKWQTKHMWOMBKF-QGZVFWFLSA-N 405.432 2.459 5 40 HEBB COc1cc(CC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OC 3241958 VGPIHFYBNRFGSW-UHFFFAOYSA-N 404.375 2.345 5 40 HEBB CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@@H](C)C[C@@H]32)C(=O)N(C)C1=S 4624654 BOBBKTLZLUOETE-RRBXVBTKSA-N 416.503 2.348 5 40 HEBB Cc1cc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(-c2ccccn2)n1 9402947 DXJBQKMBUQGLEM-UHFFFAOYSA-N 420.385 2.109 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O 10334464 YIHPBYQNHDTBTM-UHFFFAOYSA-N 408.392 2.216 5 40 HEBB CN(Cc1ccco1)C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 9544425 SCABYZPFXZFODD-UHFFFAOYSA-N 423.447 2.010 5 40 HEBB CN(CCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 218306891 ZABXVOYFPXETLA-UHFFFAOYSA-N 420.491 2.004 5 40 HEBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1cccc([N+](=O)[O-])c1 408641584 CSPIIMRSFAMWTD-ZDUSSCGKSA-N 413.342 2.282 5 40 HEBB COc1ccc(N2C(=S)N(c3ccc([N+](=O)[O-])cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 12421623 RCSJUGSZMPORPK-IAGOWNOFSA-N 419.484 2.381 5 40 HEBB Cc1cccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c1[N+](=O)[O-] 16964484 YPOKSYLUATYLTO-GOSISDBHSA-N 411.414 2.170 5 40 HEBB Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(Cl)cc4)c(=N)n(C)c3nc12 100939914 SYCGBPZCFXBNMV-UHFFFAOYSA-N 414.874 2.460 5 40 HEBB O=C(NC(=S)NCc1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408627594 MDXFLKBHWUTEQX-UHFFFAOYSA-N 400.460 2.236 5 40 HEBB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8307882 XLRVVZDBRMYVCU-UHFFFAOYSA-N 416.409 2.281 5 40 HEBB COc1cc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 10127992 LDCRQCZXYFXTEB-UHFFFAOYSA-N 406.420 2.252 5 40 HEBB O=C(COc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1cc(C(=O)O)cc([N+](=O)[O-])c1 14943905 XQADIMWKRKKESV-UHFFFAOYSA-N 410.342 2.061 5 40 HEBB CCOC(=O)c1cc(S(=O)(=O)N(CCO)C2CCCC2)cc([N+](=O)[O-])c1C 95986196 TUOBCBXBJZFUEE-UHFFFAOYSA-N 400.453 2.006 5 40 HEBB Cc1cccnc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408623933 SWBOUMPAKGLLLS-UHFFFAOYSA-N 401.448 2.262 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 3517541 LJHZLNFPMUFDFS-UHFFFAOYSA-N 403.460 2.358 5 40 HEBB COc1ccc(-c2nnc3s/c(=C/c4cccc([N+](=O)[O-])c4)c(=O)n23)cc1OC 5025615 HUXGEWJSDFCFBS-CXUHLZMHSA-N 410.411 2.291 5 40 HEBB C[C@H]1CN(C(=O)c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc([N+](=O)[O-])c2)C[C@H](C)O1 12285307 PQXIBZQSJUPPAD-VLRMEEEOSA-N 405.451 2.094 5 40 HEBB CCN(C[C@@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] 12565308 JLQOSEMPTDQVIY-CYBMUJFWSA-N 407.448 2.169 5 40 HEBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 12816200 ZUGVKSDEEINASB-CQSZACIVSA-N 423.422 2.444 5 40 HEBB Cn1c(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])nc2ccccc2c1=O 95467618 VVOKOVCRSUPKLR-UHFFFAOYSA-N 424.385 2.450 5 40 HEBB Cc1ccc(N2C(=O)C[C@H](NC3CCN(c4ncccc4[N+](=O)[O-])CC3)C2=O)cc1 100211104 UCMVYQOHDJVQPF-KRWDZBQOSA-N 409.446 2.189 5 40 HEBB COC(=O)C(C)(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 1622500585 FTDKSTOIRALQSY-UHFFFAOYSA-N 402.469 2.449 5 40 HEBB CCCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc([N+](=O)[O-])cc1 2430477 ZYPLKMVPVBNCDA-UHFFFAOYSA-N 414.466 2.382 5 40 HEBB CNS(=O)(=O)c1ccc(NC[C@H](c2ccc(OC)cc2)N(C)C)c([N+](=O)[O-])c1 5688411 QMPYDWJUXPTVJJ-GOSISDBHSA-N 408.480 2.226 5 40 HEBB CCn1c(=N)c(C(=O)NCc2ccc(OC)cc2)cc2c(=O)n3ccccc3nc21 100756514 GXLNNMQTJJXBET-UHFFFAOYSA-N 403.442 2.087 5 40 HEBB biogenic CCc1ccc(/C=c2/s/c(=C\C(=O)c3ccc(OC)cc3)[nH]c2=O)cc1[N+](=O)[O-] 105630517 QUMANVJQVAMYOV-ZZUVKVOASA-N 410.451 2.408 5 40 HEBB Cc1ccc(S(=O)(=O)NCCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1 225989733 LRQJSIPSJZAYMJ-UHFFFAOYSA-N 403.460 2.030 5 40 HEBB O=C(COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1)N1CCCCC1 408605537 LYJGQLXETVVYQT-RMKNXTFCSA-N 400.391 2.358 5 40 HEBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 5633500 MTJMHBHZBCHRKM-RMKNXTFCSA-N 417.443 2.268 5 40 HEBB O=C(COC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)NC[C@@H]1CCCO1 5710916 MDSQSDUMVFCVLG-INIZCTEOSA-N 405.451 2.427 5 40 HEBB CC(C)OCCCNC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O 4599947 NYLKZFMRACMIJR-SFHVURJKSA-N 401.419 2.112 5 40 HEBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N3CCC[C@H](CO)C3)c([N+](=O)[O-])c2)C1 8177917 GXIQHGJPCNMDLY-OAGGEKHMSA-N 411.524 2.470 5 40 HEBB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20857201 LJEYMQNAZGXVJX-GJZGRUSLSA-N 405.451 2.378 5 40 HEBB O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 23108120 XASRCMJLQARVGF-SFHVURJKSA-N 409.439 2.086 5 40 HEBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cn2cccnc2=O)c1 47732416 JRTKMRUQDXSPNM-GOSISDBHSA-N 409.402 2.055 5 40 HEBB COc1cc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 6944675 YIJKXTUYJVEUAN-UHFFFAOYSA-N 403.391 2.379 5 40 HEBB COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)N1CCCC1 15128569 JWEDZLHKDOPZMP-QGZVFWFLSA-N 420.491 2.500 5 40 HEBB CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccncc2)c1=N 101112138 PPNHVIXAOOLGLO-UHFFFAOYSA-N 416.485 2.410 5 40 HEBB aggregator O=C(c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)N1N=C(C(F)F)C[C@]1(O)C(F)F 1018976 AQRKSBZZGMZPCJ-INIZCTEOSA-N 415.303 2.260 5 40 HEBB O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 2329660 PRDTVZBJHVBLMA-UHFFFAOYSA-N 409.851 2.395 5 40 HEBB COC(=O)c1sc2ncn3nc([C@H](C)n4cc([N+](=O)[O-])c(OC)n4)nc3c2c1C 2789978 OJZNAYGVYJNKTN-QMMMGPOBSA-N 417.407 2.157 5 40 HEBB CC(C)NC(=O)COC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 3553002 XUTQAYVLWMSYBS-UHFFFAOYSA-N 422.415 2.044 5 40 HEBB COc1ccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 4029274 UARRPIJHFIVUNZ-GOSISDBHSA-N 410.454 2.130 5 40 HEBB biogenic NC(=O)C1CCN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 5829284 HPWDVPUOVNRMBQ-UHFFFAOYSA-N 404.448 2.097 5 40 HEBB CCOc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)c([N+](=O)[O-])c1 8868523 LPYWUTBJMCFYGF-UHFFFAOYSA-N 400.800 2.093 5 40 HEBB Cn1ccnc1[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1F 12627319 MCXWWGUHTYDMIO-INIZCTEOSA-N 405.411 2.316 5 40 HEBB O=[N+]([O-])c1ccc(NC[C@H](CO)Cc2ccco2)c(S(=O)(=O)N2CCCC2)c1 24205864 DAYUDFUBWXWHGK-CQSZACIVSA-N 409.464 2.235 5 40 HEBB COc1cc(C)c(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC 27941543 SRMOZALBJRBXPQ-UHFFFAOYSA-N 421.475 2.431 5 40 HEBB CCO[C@H](C)C(=O)OC[C@@H](C(=O)OC1C[C@@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)c1ccccc1 104325527 BWDLFAFAWSQDLQ-RENNTHEQSA-N 418.510 2.039 5 40 HEBB Cc1ccc(C(=O)Nc2cc3nc(O)[nH]c3cc2N2CCN(C)CC2)cc1[N+](=O)[O-] 408532861 RITCSGGZWDPMLC-UHFFFAOYSA-N 410.434 2.489 5 40 HEBB C[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)Nc1ccccc1[N+](=O)[O-] 5239763 OKVCUKYWXGJIKC-QWHCGFSZSA-N 401.375 2.107 5 40 HEBB COC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 7130595 SLROPGYEICPNMP-GFCCVEGCSA-N 416.386 2.409 5 40 HEBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCN1CCN(Cc2ccccc2)CC1 29231177 URRHPQCBZQSFMZ-UHFFFAOYSA-N 418.519 2.081 5 40 HEBB O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 33355481 IWGHILOSIHAGFL-UHFFFAOYSA-N 417.334 2.436 5 40 HEBB Cc1cc(C(=O)NC2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)no1 48302754 CIWAWJJPTCAVHJ-UHFFFAOYSA-N 415.450 2.423 5 40 HEBB COc1cc2c(cc1OC)[C@@]13CC[N@@+]4([O-])CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34 253687000 HHHQMKWPZAYIAE-WAIXHZNCSA-N 410.470 2.122 5 40 HEBB in-vitro CCOc1ccc(NC(=O)COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1OCC 9316970 YNIAEEIGWTYLMH-UHFFFAOYSA-N 420.422 2.387 5 40 HEBB C[C@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12538044 ZMEIJRRKSJFWNE-AAEUAGOBSA-N 414.384 2.034 5 40 HEBB O=C(Nc1ccc(-n2cccn2)nc1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 23073547 GNSRODDLDAUDSE-LBPRGKRZSA-N 410.365 2.306 5 40 HEBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C1=O 205783218 JEVMTATUDWDRTC-NYYWCZLTSA-N 411.348 2.197 5 40 HEBB CC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 3269925 MOVHGYGXEZKJJE-UHFFFAOYSA-N 413.386 2.018 5 40 HEBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(F)cc1 8433876 WPZRJLZPAFJSDB-GFCCVEGCSA-N 401.350 2.269 5 40 HEBB C[C@@]12CCC(=O)N1[C@H](C(=O)OCc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CS2 9441241 JTZDZAHNXCYRJX-YVEFUNNKSA-N 404.404 2.142 5 40 HEBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 20239098 GHMFLDIEBOXHAF-KRWDZBQOSA-N 419.459 2.085 5 40 HEBB Cn1cnc([N+](=O)[O-])c1N1CCN(CCCc2nc(-c3cccs3)no2)CC1 29822818 GFONSRZXSQEKDD-UHFFFAOYSA-N 403.468 2.195 5 40 HEBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4O[C@@H]([C@H]5C(c6cccc([N+](=O)[O-])c6)=NO[C@H]45)[C@@H]3C2=O)cc1 103524194 HQPFZCOCKIJOOR-UXESJPJBSA-N 419.393 2.209 5 40 HEBB COc1ccc(OC)c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 409330985 CARVBSXBCJYCSZ-UHFFFAOYSA-N 423.447 2.325 5 40 HEBB O=[N+]([O-])c1cccc(-c2nnc(O)c3c2[C@H](c2cccc(O)c2)n2nnnc2N3)c1 10296726 IDLLVIPHLFDFTB-INIZCTEOSA-N 404.346 2.144 5 40 HEBB COc1cc(C(=O)NCC(=O)OCc2ccccc2[N+](=O)[O-])cc(OC)c1OC 25114598 ZVIKUCHWDQHZFE-UHFFFAOYSA-N 404.375 2.094 5 40 HEBB CCOC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 106744843 KEWQACFZOSRMJF-GDNBJRDFSA-N 421.431 2.031 5 40 HEBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc([N+](=O)[O-])cc1 408651221 NHYRDQWOSHDQNV-ZDUSSCGKSA-N 413.342 2.282 5 40 HEBB O=C1[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 16012246 WMOIDSVFHDUYQF-QLDGJZPUSA-N 418.409 2.026 5 40 HEBB O=C(OCC(=O)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1)c1ccc([N+](=O)[O-])s1 21470320 BCWPTBKQGOQJBY-CYBMUJFWSA-N 422.440 2.157 5 40 HEBB CCN1CCN([C@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(C)nn3c2O)CC1 23157630 OFYZKRCPKARWKX-OAHLLOKOSA-N 402.480 2.440 5 40 HEBB C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cccc(O)c1 58281673 KHSXQMUYDRIDMU-ZDUSSCGKSA-N 407.448 2.494 5 40 HEBB COC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224771622 ADAVGQUFXUFXEA-UHFFFAOYSA-N 422.415 2.058 5 40 HEBB O=C(Cn1nc(-c2ccc([N+](=O)[O-])cc2)ccc1=O)Nc1ccc2c(c1)OCCO2 5400506 JIAHZEVOQITHIJ-UHFFFAOYSA-N 408.370 2.228 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CN1CCOCC1)c1ccccc1 12764656 XVCMSSSLOMQBCZ-SFHVURJKSA-N 405.476 2.255 5 40 HEBB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 12824441 ZULQCPNSUAMOKE-LLVKDONJSA-N 409.420 2.047 5 40 HEBB O=C1N(Cc2ccccc2Cl)c2ccccc2C12OCC(CO)([N+](=O)[O-])CO2 4721819 PBEOVCQRGJUAMZ-UHFFFAOYSA-N 404.806 2.094 5 40 HEBB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(F)c([N+](=O)[O-])c1 3320607 XWRBXVOBDUMFQO-UHFFFAOYSA-N 408.349 2.268 5 40 HEBB COC(=O)[C@@H]1Sc2nc(O)sc2[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OC 16713003 DERPYVWALNEHPB-JFGNBEQYSA-N 410.429 2.325 5 40 HEBB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220416910 JDJVGDUCLUPLKZ-OAHLLOKOSA-N 421.475 2.253 5 40 HEBB O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)nn3)CC2)cc1N1CCOCC1 4687428 JMUDJXSCBPXVHN-UHFFFAOYSA-N 404.858 2.201 5 40 HEBB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1ccc(Cl)c([N+](=O)[O-])c1 408624461 UIKGOJILULBRRK-GQYKBVJTSA-N 401.806 2.240 5 40 HEBB Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)c1[N+](=O)[O-] 9507119 BIUUVHFHFXSZDT-UHFFFAOYSA-N 421.479 2.221 5 40 HEBB Cc1nc2c(c(=O)[nH]1)CN(C(=O)Cn1c3ccccc3c(=O)c3ccccc31)CC2 12117315 QGFDZHNWZMRZHB-UHFFFAOYSA-N 400.438 2.131 5 40 HEBB Cc1ccc(N2C(=O)C[C@@H](NC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)C2=O)cc1 18217941 FGDZZSRTDIWPJZ-GOSISDBHSA-N 409.446 2.189 5 40 HEBB CC(=O)Oc1ccccc1-c1nc2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2n1 5383348 HBCHRIVLIAUGPA-MHWRWJLKSA-N 408.395 2.199 5 40 HEBB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 10210376 CVDQDLYUUOJAHP-QWHCGFSZSA-N 406.439 2.222 5 40 HEBB O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1 23108117 XASRCMJLQARVGF-GOSISDBHSA-N 409.439 2.086 5 40 HEBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCCCn1cccn1 30171697 PEMACICKBXDWTM-MRXNPFEDSA-N 407.858 2.406 5 40 HEBB COc1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(OC)c1 220402059 OEIFOKWMBKDDCO-LBPRGKRZSA-N 423.447 2.405 5 40 HEBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)NCc1ccco1 46761100 DHBOEYQIMYHEIR-UHFFFAOYSA-N 414.374 2.245 5 40 HEBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccc(-c2cccs2)nn1 9853643 UUVKKYLJDDCHJR-UHFFFAOYSA-N 406.445 2.471 5 40 HEBB COc1ccc([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 20489935 HJYORWMEIDZQSW-CYBMUJFWSA-N 407.448 2.247 5 40 HEBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)N[C@@H](C)c1ccccc1 22087592 SXGMNXLEFRLGCJ-KBPBESRZSA-N 401.419 2.422 5 40 HEBB CCCN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)NC1=S 230042035 AIXQXEUJEZHUCT-HNAYVOBHSA-N 402.476 2.150 5 40 HEBB COc1ccccc1N1C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]2CS(=O)(=O)C[C@H]21 4393621 SFBXONOUYYIQBC-JKSUJKDBSA-N 403.416 2.216 5 40 HEBB CC(C)[C@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 12800026 VBGDCUXXMQUDKY-SFHVURJKSA-N 407.448 2.135 5 40 HEBB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1nc2ccccn2c1[N+](=O)[O-] 21674633 NALNJDWBWLDAOP-CQSZACIVSA-N 418.479 2.052 5 40 HEBB CCOC(=O)c1sc2ncn3nc(Cn4nc([N+](=O)[O-])cc4C)nc3c2c1C 2791170 LSMHEEHEFAFNCK-UHFFFAOYSA-N 401.408 2.286 5 40 HEBB C[C@H]1CCCCN1C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 4579920 WLFJPTCSVLAJHQ-AWEZNQCLSA-N 411.480 2.159 5 40 HEBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611887 OQAMKMKZHHRBDN-UHFFFAOYSA-N 402.363 2.357 5 40 HEBB CCOc1ccccc1CNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 30859690 QNOJDFIPLBMWHX-UHFFFAOYSA-N 421.475 2.384 5 40 HEBB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1cccc([N+](=O)[O-])c1 409027795 FDNFTPATIGNZEQ-UHFFFAOYSA-N 423.516 2.410 5 40 HEBB COc1cc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c([N+](=O)[O-])cc1OC 23105684 AVEUIGBKQIYDAS-HNNXBMFYSA-N 421.475 2.477 5 40 HEBB Cc1ccc([C@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)o1 32848044 MYVNZRHUUUHSFU-KRWDZBQOSA-N 409.464 2.156 5 40 HEBB COc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 24671904 HIGVMKYVJRLPPS-CYBMUJFWSA-N 418.475 2.450 5 40 HEBB CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113892797 XHEHFGMACVNYDO-UHFFFAOYSA-N 424.431 2.370 5 40 HEBB CCOc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 220034574 BEFRPQGGQIGUJB-UHFFFAOYSA-N 421.475 2.384 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 225859629 SNXDNGJOJDRITL-LBPRGKRZSA-N 423.447 2.405 5 40 HEBB O=C(COC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)NC[C@H]1CCCO1 5710921 MDSQSDUMVFCVLG-MRXNPFEDSA-N 405.451 2.427 5 40 HEBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NCCCO 6624543 OPQYTMXIACHUNJ-UHFFFAOYSA-N 401.422 2.469 5 40 HEBB biogenic O=C(O)CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@]12C(=O)Nc1ccccc12 8771555 GVDUGBYLGHPDLS-FQEVSTJZSA-N 408.370 2.244 5 40 HEBB Cc1cc(=O)c(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1F 12778264 DAXHWPOJXOOWMU-GOSISDBHSA-N 412.377 2.052 5 40 HEBB O=C1[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 103518165 PTAAMSSDVVNNBX-QSNWEANLSA-N 418.409 2.026 5 40 HEBB O=C(Nc1nnc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)s1)c1ccccc1 224499993 FHLXAPKMFDNNNV-UHFFFAOYSA-N 405.417 2.499 5 40 HEBB CC(=O)Nc1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 10332229 YOIFXYPAYFRIDW-UHFFFAOYSA-N 420.447 2.266 5 40 HEBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCOc2ccc3c(c2)OCO3)c1 23143666 UEDZIJAASQUVRA-UHFFFAOYSA-N 400.796 2.334 5 40 HEBB CCCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 84755176 CJOJKEXESBRWJU-ZDUSSCGKSA-N 410.452 2.052 5 40 HEBB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 6566311 SIZUGXLVZDGJGC-CQSZACIVSA-N 411.414 2.236 5 40 HEBB O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21 16038490 WZBGXKYTPCROJF-NCXUSEDFSA-N 405.410 2.430 5 40 HEBB COc1ccc(C(=O)NCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC 35166629 FYRFTLDLTPGMPS-UHFFFAOYSA-N 400.435 2.122 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O 222610048 ZUVPZPZNPARYMU-UHFFFAOYSA-N 407.448 2.312 5 40 HEBB CC(=O)OCCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 4474146 HGNISFJJRUMNLE-XMHGGMMESA-N 411.414 2.435 5 40 HEBB biogenic CCOC(=O)c1cn(C2CC2)c2cc(N3CCN(C)CC3)c([N+](=O)[O-])cc2c1=O 5332652 AUDOLQWMPSGSTM-UHFFFAOYSA-N 400.435 2.173 5 40 HEBB COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N3)cc1 20717692 YVVHJZHJQYFDLJ-HNNXBMFYSA-N 408.374 2.384 5 40 HEBB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)O2 38860253 FXCQVNAUNHVOBW-QGZVFWFLSA-N 405.432 2.377 5 40 HEBB CC(C)(CO)NCCC(=O)N1N=C(c2ccccc2)C[C@H]1C1=CC[C@@H]([N+](=O)[O-])C=C1 95116093 XHESCTDUBGBGFY-ICSRJNTNSA-N 412.490 2.274 5 40 HEBB CS(=O)(=O)C(Br)(Br)C(=O)c1cccc([N+](=O)[O-])c1 96518467 MNWZBYRXFLNWOE-UHFFFAOYSA-N 401.032 2.266 5 40 HEBB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1C(=O)c3ccccc3C1=N2 649630 AGRTXIWHJHQUKK-JKSUJKDBSA-N 416.393 2.071 5 40 HEBB O[C@@H](COC[C@H]1COc2ccccc2O1)C[N+]1(Cc2ccccc2)CCOCC1 2692821 ABLIITXQHKILBI-RTWAWAEBSA-N 400.495 2.251 5 40 HEBB CCOC(=O)N1CCN(C(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)CC1 2795297 XQLLQQKDNQRMBQ-UHFFFAOYSA-N 415.450 2.371 5 40 HEBB C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 14924063 NTMHOQTXKAWFOY-INIZCTEOSA-N 411.462 2.131 5 40 HEBB CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1ccc(Br)cc1 19320474 BEMNZDZTSNBBSZ-UHFFFAOYSA-N 411.256 2.150 5 40 HEBB Nc1nc(NCc2ccco2)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] 54147611 IOUDELVITWLHKX-UHFFFAOYSA-N 409.450 2.494 5 40 HEBB COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3Cl)s2)cc1 102971180 BDEZEZBWEUNPDI-XFQWXJFMSA-N 416.842 2.499 5 40 HEBB Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 24209208 OOGHORFFSLUUQL-IBGZPJMESA-N 405.476 2.255 5 40 HEBB C[C@H]1CN(c2ccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cn2)C[C@@H](C)O1 40142668 ZOBXMNQVTUOGOZ-OKILXGFUSA-N 423.433 2.436 5 40 HEBB O=C(NCCn1ncc2c(=O)n(Cc3cccc([N+](=O)[O-])c3)cnc21)c1cccs1 12071915 OIOLFRWTQSIYFH-UHFFFAOYSA-N 424.442 2.041 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O 10357538 RETBMQJCYPLNRJ-UHFFFAOYSA-N 421.431 2.079 5 40 HEBB O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 15480030 XEYXEXPVXKZZPH-UHFFFAOYSA-N 410.386 2.444 5 40 HEBB COc1ccc([C@@H]2N(C(C)=O)CCN2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 95471432 SJSRVTJFSXZMIS-LJQANCHMSA-N 419.459 2.463 5 40 HEBB CCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2cccnc2)c1=N 101114741 RLPKCWKTPYSENG-UHFFFAOYSA-N 402.458 2.102 5 40 HEBB CC(=O)Nc1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 9372932 WADWNXGGQFTCLS-UHFFFAOYSA-N 420.447 2.318 5 40 HEBB O=[N+]([O-])c1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(O)cc2)n2nnnc2N3)cc1 10296415 GEEJHHZVFFGHIQ-MRXNPFEDSA-N 404.346 2.144 5 40 HEBB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cccc([N+](=O)[O-])c1 5407697 XCUPNCRPJBWQOD-MRXNPFEDSA-N 406.464 2.040 5 40 HEBB CN(C)Cc1ccccc1CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 32895716 PDEUYYNLGXYLBG-UHFFFAOYSA-N 421.475 2.296 5 40 HEBB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1OC 102895285 PGDCRVUWGQCJBE-FUHWJXTLSA-N 411.370 2.213 5 40 HEBB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cccc([N+](=O)[O-])c1 224130148 KMSVOJDLTLLRHZ-UHFFFAOYSA-N 407.448 2.425 5 40 HEBB CC1(C)O[C@@H]2O[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4855110 IKRMVZVASOBSSJ-YCCFLXJFSA-N 409.391 2.148 5 40 HEBB C[C@H]1C[C@H]1C(=O)NCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12538047 ZMEIJRRKSJFWNE-WCQYABFASA-N 414.384 2.034 5 40 HEBB O=[N+]([O-])c1cccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 89780731 DSIBJXSKNGETEF-UHFFFAOYSA-N 409.376 2.316 5 40 HEBB NC(=O)[C@H]1CC(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)=NN1c1ccc(F)cc1 95992850 ZPKBXORRDVPITA-CQSZACIVSA-N 421.772 2.152 5 40 HEBB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220214700 DLHODNGTDHMSAR-LBPRGKRZSA-N 423.447 2.405 5 40 HEBB CCOc1ccc(CNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220418601 RDOWFWFKUGESQY-AWEZNQCLSA-N 421.475 2.464 5 40 HEBB COc1cccc(-c2noc(CNS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)c1 223771787 LDLOYDXVWDTCMQ-UHFFFAOYSA-N 404.404 2.440 5 40 HEBB CCc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1 32796232 XAIUOAGOCXEAGU-UHFFFAOYSA-N 419.459 2.430 5 40 HEBB CCCCN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 46799238 XOAIIQBYQWZLEQ-UHFFFAOYSA-N 407.496 2.242 5 40 HEBB COc1ccccc1N1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]2CS(=O)(=O)C[C@@H]21 4393688 UFXZDMMMVSOULU-HOTGVXAUSA-N 403.416 2.216 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCc1ccccc1)S(C)(=O)=O 10110327 GJZGNOZJSQZRDR-UHFFFAOYSA-N 405.476 2.418 5 40 HEBB CCS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1ccc([N+](=O)[O-])cc1 96520096 HAOBFEPXMLRSGD-ZJUUUORDSA-N 419.624 2.391 5 40 HEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc(OC)cc2)c1=N 100919013 KXIJKIKPDNVFBM-UHFFFAOYSA-N 404.426 2.362 5 40 HEBB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1 5407710 ABLKSLYBFAVTSR-MRXNPFEDSA-N 406.464 2.040 5 40 HEBB COC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225031740 MUNAUOFPCVCODU-UHFFFAOYSA-N 422.415 2.058 5 40 HEBB Cc1cc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)ccc1[N+](=O)[O-] 5736176 IVMLBLQPSHQYCC-UHFFFAOYSA-N 418.475 2.237 5 40 HEBB O=C(COc1ccc([N+](=O)[O-])cc1)OCC(=O)c1cc2c3c(c1)CC(=O)N3CCC2 7734812 GRPFQLQUGYYTLA-UHFFFAOYSA-N 410.382 2.235 5 40 HEBB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc([N+](=O)[O-])o1 12488662 JJPNJLKDDOPGDO-UHFFFAOYSA-N 415.811 2.114 5 40 HEBB O=C(Nc1ccccc1O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 32779944 RYYBGUBSASVBEX-MRXNPFEDSA-N 405.432 2.482 5 40 HEBB O=C1C[C@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CN1CCc1ccccc1 79099850 QLESZECVGPMBNE-GOSISDBHSA-N 417.487 2.105 5 40 HEBB CC(C)[C@@H](NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1)C(=O)O 2948593 LZVIJZUOIDCKJX-SCOADAFUSA-N 401.375 2.184 5 40 HEBB O=C(COC(=O)Cn1cnc2ccccc2c1=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 8694184 TZPOEMBCPRZZGJ-UHFFFAOYSA-N 416.777 2.140 5 40 HEBB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccccc4[N+](=O)[O-])cnc32)cc1C 10252061 YKNXYPAUOXYLDK-UHFFFAOYSA-N 404.386 2.491 5 40 HEBB COc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N3)cc1 10295325 ZVANDYFKHMMBTG-QGZVFWFLSA-N 418.373 2.447 5 40 HEBB Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 48289981 MQTPIBATEGABBX-UHFFFAOYSA-N 404.386 2.408 5 40 HEBB COc1ccccc1N1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 66012852 YYKXKTCHSMLNLB-UHFFFAOYSA-N 401.419 2.340 5 40 HEBB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@H]23)c(OC)c1 101239678 CRTQVYUERQDKLA-AEFFLSMTSA-N 411.370 2.213 5 40 HEBB CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)C(=O)N1CCCC1 79063857 NSVGCHXRIMSATB-SFHVURJKSA-N 424.523 2.438 5 40 HEBB Cc1ccccc1OCCNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224058273 SNDYJUQJTFXNTG-UHFFFAOYSA-N 421.475 2.173 5 40 HEBB Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCC(=O)Nc2ccccc2F)n1C 12427685 FNIURVYAFYFFKP-UHFFFAOYSA-N 405.415 2.146 5 40 HEBB O=[N+]([O-])c1cccc(S(=O)(=O)NCCOc2ccc(-c3ccccc3)nn2)c1 10275788 VNBQUMMZTBVOAX-UHFFFAOYSA-N 400.416 2.409 5 40 HEBB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1nc2ccccn2c1[N+](=O)[O-] 21674637 NALNJDWBWLDAOP-AWEZNQCLSA-N 418.479 2.052 5 40 HEBB Cn1ccnc1[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1 29813375 DUESEYVHTNPCKA-GOSISDBHSA-N 403.402 2.428 5 40 HEBB COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1nnnn1-c1ccccc1 59372373 OHFUNEJRHYGJCV-UHFFFAOYSA-N 402.348 2.417 5 40 HEBB CCN1C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3N=Cc4ccccc4[C@@H]3[C@@H]2C1=O 100690752 OUFAZERCQOPLKE-MKXGPGLRSA-N 418.409 2.172 5 40 HEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)C1CC1 103628295 QXYODERTFZQOGW-CLCOLTQESA-N 408.458 2.319 5 40 HEBB O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9355755 ZHLGUWSXFXTMOW-UHFFFAOYSA-N 421.450 2.451 5 40 HEBB CN1CCN([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1 12342613 RQGCHASOMCMDAH-LJQANCHMSA-N 422.482 2.001 5 40 HEBB COC(=O)[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 79012874 GYSGNHFVCYBQSW-YVEFUNNKSA-N 408.432 2.432 5 40 HEBB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1 223761581 FNMWXVGBQGYALX-UHFFFAOYSA-N 404.404 2.474 5 40 HEBB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1[N+](=O)[O-] 6348525 RIBVGBWOPSJCFH-UHFFFAOYSA-N 405.432 2.176 5 40 HEBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc(C(N)=O)c1C 2736412 ZCACWGUZKQDZET-UHFFFAOYSA-N 422.375 2.401 5 40 HEBB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 6654346 OIXBYYOWJAYMHL-UHFFFAOYSA-N 412.446 2.451 5 40 HEBB Cc1cc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1C 10834069 UINBVUGLZCGCTN-OAHLLOKOSA-N 421.475 2.432 5 40 HEBB Cc1ccnc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 17082184 SEGFFBWRSFUZLH-UHFFFAOYSA-N 401.448 2.262 5 40 HEBB Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCCCn1cc(Cl)c([N+](=O)[O-])n1 36615159 ARNPNMGMKFNEOQ-UHFFFAOYSA-N 412.806 2.022 5 40 HEBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1cccc([N+](=O)[O-])c1 408641582 CSPIIMRSFAMWTD-CYBMUJFWSA-N 413.342 2.282 5 40 HEBB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 5193396 QYBPVLNEFNLHNQ-CYBMUJFWSA-N 413.386 2.138 5 40 HEBB O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2ncnc3c2cnn3-c2ccccc2)cc1 9513353 PKEUIIZCHBNXIO-ROUUACIJSA-N 406.402 2.230 5 40 HEBB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)N(C)C1=S 409210406 JNVROKJYFPEEDW-ZROIWOOFSA-N 401.400 2.428 5 40 HEBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](C)Cn1ccnc1 48235833 DGLPAKBIXVQWAP-LRDDRELGSA-N 407.858 2.404 5 40 HEBB CC[C@@H](C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O 8994235 FTULSNBLRBFGCO-CBLJQSSYSA-N 400.435 2.373 5 40 HEBB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1774446 HNXNJEUONJUPCC-QGZVFWFLSA-N 412.358 2.498 5 40 HEBB biogenic O=[N+]([O-])c1ccc(Nc2nc(OCC(F)(F)F)nc(N3CCOCC3)n2)cc1 4663217 HQLTUFSMNDZFBZ-UHFFFAOYSA-N 400.317 2.301 5 40 HEBB COc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2=O)cc1 8783550 ABXBGCXZASXIRM-MRXNPFEDSA-N 424.457 2.305 5 40 HEBB CC(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C1=O 9016116 XTCLYUDAUYPXRY-UZLBHIALSA-N 400.435 2.373 5 40 HEBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12987010 DTKTXKMFQJEHLB-MDZDMXLPSA-N 415.471 2.282 5 40 HEBB C[C@H]1CN(C(=S)S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@@H](C)O1 227003809 PAXVYQBQXSRDCW-WDMOLILDSA-N 409.489 2.354 5 40 HEBB COc1cccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 4387471 KYJIKTKWAURKAV-DLBZAZTESA-N 403.416 2.216 5 40 HEBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(N)=O 7274894 RWRBXXLKDKVVEU-UHFFFAOYSA-N 408.842 2.323 5 40 HEBB COc1ccccc1-n1ccc2nc3ccn(-n4c(C)nnc4C)c(=O)c3cc2c1=O 38829284 GBYHIBATLDGXKL-UHFFFAOYSA-N 414.425 2.229 5 40 HEBB CCc1nc(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)C(=O)O)n[nH]1 408630573 BYXAMOVOWWQPCU-RVDMUPIBSA-N 418.479 2.245 5 40 HEBB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 3337885 NVFLCTYHASMPBJ-FQEVSTJZSA-N 411.370 2.191 5 40 HEBB CC(=O)c1ccc(N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)c([N+](=O)[O-])c1 12537905 NMQRZXJMARQSQH-UHFFFAOYSA-N 407.430 2.128 5 40 HEBB Cc1ccc2nc3c(cc(C(=O)NC4CCCC4)c(=N)n3C[C@@H]3CCCO3)c(=O)n2c1 15952816 OOFLYMWBUGKIPB-INIZCTEOSA-N 421.501 2.288 5 40 HEBB C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 10025485 GXDSOXOUQGDADC-GFCCVEGCSA-N 419.821 2.226 5 40 HEBB O=C([C@@H]1CCCN(C(=O)N2CCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 46690966 CHHTVBWGCQCFDK-QGZVFWFLSA-N 415.494 2.171 5 40 HEBB CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113894166 IPGBQHBRSXSDDW-UHFFFAOYSA-N 424.431 2.370 5 40 HEBB Cc1c(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cccc1[N+](=O)[O-] 2657707 YIEWXVZUDQYBDA-UHFFFAOYSA-N 424.413 2.497 5 40 HEBB CCN1C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3N=Cc4ccccc4[C@H]3[C@@H]2C1=O 104272350 OUFAZERCQOPLKE-YRXWBPOGSA-N 418.409 2.172 5 40 HEBB COC(=O)c1cc(C(=O)N[C@H](C)C2(N3CCOCC3)CCCC2)cc([N+](=O)[O-])c1 78879191 DWVCJIRLOUZKMX-CQSZACIVSA-N 405.451 2.145 5 40 HEBB CS(=O)(=O)NC1CCC(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 1615586078 QCPVDIZESASVKO-UHFFFAOYSA-N 413.499 2.272 5 40 HEBB C[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 12943525 CWDFUSRZVVVWHH-NWDGAFQWSA-N 411.370 2.150 5 40 HEBB CN1CCN(S(=O)(=O)c2ccc(NCc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 36312774 GDFVWWMKTGVAQT-UHFFFAOYSA-N 408.455 2.282 5 40 HEBB C[C@@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)Nc1ccccc1[N+](=O)[O-] 5239775 OKVCUKYWXGJIKC-CHWSQXEVSA-N 401.375 2.107 5 40 HEBB COc1cc2c(cc1OC)[C@@]13CC[N+]4([O-])CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34 5357815 HHHQMKWPZAYIAE-AWRJASDASA-N 410.470 2.122 5 40 HEBB in-vitro CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2n1 5383347 SBRWYJFTCRKKOP-YBEGLDIGSA-N 408.395 2.199 5 40 HEBB CN1CCN(c2ccc(C(=O)Nc3ccccc3C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 16015345 NOYLSIDIYYQYMS-UHFFFAOYSA-N 423.473 2.491 5 40 HEBB CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] 40114821 BESCTAVNROOUCL-MAUKXSAKSA-N 424.523 2.311 5 40 HEBB Cc1ccc(C(=O)NCC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 3350281 ZGDRTQUBWALDIC-UHFFFAOYSA-N 402.388 2.488 5 40 HEBB Cc1nn(CC(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)c(C)c1[N+](=O)[O-] 3426812 VXMKJIUFTCPWDB-UHFFFAOYSA-N 413.415 2.374 5 40 HEBB COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2=O)cc1 8783551 ABXBGCXZASXIRM-INIZCTEOSA-N 424.457 2.305 5 40 HEBB C[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cn1 9316301 LGPAXUMUWINNLW-LLVKDONJSA-N 420.809 2.334 5 40 HEBB CS(=O)(=O)c1ccc(N2CCC[C@H](c3nnc4ccccn34)C2)c([N+](=O)[O-])c1 18175031 SFUOGEZIRYLLIC-ZDUSSCGKSA-N 401.448 2.425 5 40 HEBB Cc1ccc(C(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1[N+](=O)[O-] 24096779 MBJFBBPTZKGHBM-UHFFFAOYSA-N 407.430 2.098 5 40 HEBB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 226862545 XZDFOJYNEHLZPM-OAHLLOKOSA-N 407.379 2.189 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 23106855 GZYMZHMORVBWBA-INIZCTEOSA-N 418.475 2.093 5 40 HEBB C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCN(C)CC1 23181883 LKACAHQFTOBJDC-KBXCAEBGSA-N 424.548 2.312 5 40 HEBB O=[N+]([O-])c1cc2nc3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4nc3nc2cc1[N+](=O)[O-] 104083877 QWAMOOVUKIFGHL-UHFFFAOYSA-N 412.234 2.359 5 40 HEBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 12903904 MHGNXQKBOUVMBM-ZDUSSCGKSA-N 416.459 2.243 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 224884821 GLQGLPPTTNWGNX-UHFFFAOYSA-N 409.420 2.017 5 40 HEBB O=C(O)CNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl 2979675 MXCOMGZGIAVOKA-OQLLNIDSSA-N 403.778 2.220 5 40 HEBB COc1ccccc1CN(C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 20452822 XDSSIXWGFCDKSB-UHFFFAOYSA-N 407.448 2.028 5 40 HEBB Cn1c(Cn2c3ccccc3c(=O)c3ccccc32)nnc1SCc1nnn[nH]1 33821702 FAXGIQBFHUTUSV-UHFFFAOYSA-N 404.459 2.137 5 40 HEBB CCS(=O)(=O)[C@](Cl)(I)[C@H](O)c1cccc([N+](=O)[O-])c1 96520120 RIUSNHBFTBYMHQ-NXEZZACHSA-N 419.624 2.391 5 40 HEBB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 102121107 REQKQNBPTKCGHN-HRCADAONSA-N 407.492 2.254 5 40 HEBB C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 57847959 YPUFMMOZMLLMTL-OAHLLOKOSA-N 403.483 2.264 5 40 HEBB CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 89977348 JXALOQIOSUPEAK-ZDUSSCGKSA-N 404.446 2.100 5 40 HEBB CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O 3442551 GMGTYBRNOGERJX-UHFFFAOYSA-N 407.386 2.069 5 40 HEBB CCCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)NC1=S 9122835 AIXQXEUJEZHUCT-BEFAXECRSA-N 402.476 2.150 5 40 HEBB Cc1cccc(NC(=O)CSCC(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 22061504 RLKNFWLBJXFKID-QGZVFWFLSA-N 403.460 2.425 5 40 HEBB COc1cc(OC)cc(C(=O)N2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 25906206 GLFOPYCXTGCIQC-UHFFFAOYSA-N 413.430 2.139 5 40 HEBB COC[C@H](CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)Oc1nonc1C 58055151 VCUWMEBGCDMNNW-AWEZNQCLSA-N 411.846 2.156 5 40 HEBB COc1ccc(S(=O)(=O)N[C@@H](CC2=C=Nc3ccccc32)C(=O)O)cc1[N+](=O)[O-] 604347287 SFEKVLJHARDQET-HNNXBMFYSA-N 417.399 2.123 5 40 HEBB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 8038836 ZYEOQLRJEKYIQB-CYBMUJFWSA-N 413.386 2.138 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 10187039 HFFCGIOYWDWNNK-CYBMUJFWSA-N 411.461 2.457 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(N2CCn3ccnc3C2)CC1 89644369 BKLHMXMGBPVNJE-UHFFFAOYSA-N 412.494 2.409 5 40 HEBB Cc1ccc(-c2csc(NC(=O)CSc3nnc(C)n3N)n2)cc1[N+](=O)[O-] 409166045 BXVOBUCVSRUPMH-UHFFFAOYSA-N 405.465 2.371 5 40 HEBB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)c([N+](=O)[O-])c1 4477102 OYWRFZLHQAHENO-FQEVSTJZSA-N 412.402 2.318 5 40 HEBB COC(=O)c1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1N1CCOCC1 4711475 MVTNDBHWZPBHLM-UHFFFAOYSA-N 415.402 2.236 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 10187038 HFFCGIOYWDWNNK-ZDUSSCGKSA-N 411.461 2.457 5 40 HEBB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 102121102 REQKQNBPTKCGHN-JYJNAYRXSA-N 407.492 2.254 5 40 HEBB Cc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 220033523 CISOXZPOZTUIED-UHFFFAOYSA-N 421.475 2.173 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1 10324782 JQPDVSQNSOOCNA-UHFFFAOYSA-N 400.416 2.465 5 40 HEBB CCN(CC)S(=O)(=O)c1ccc(N2CCC(N(C)C(C)=O)CC2)c([N+](=O)[O-])c1 48366876 FQNPXATVDXGCDE-UHFFFAOYSA-N 412.512 2.072 5 40 HEBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(OC)c1OC 408564481 DERYXWKAQNFNFA-JBZDTAIVSA-N 413.430 2.234 5 40 HEBB COc1ccc(OC)c(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@H]23)c1 8490645 WZUUZSSWXMLOCE-SJLPKXTDSA-N 411.370 2.213 5 40 HEBB COCCN1CC[C@@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 58174358 XTECGRRJJNUVJF-NSHDSACASA-N 411.402 2.269 5 40 HEBB CC(=O)Nc1ccc(C(=O)NN2C(=O)CS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 5663480 DEDOOFKBHPSBOY-SFHVURJKSA-N 400.416 2.472 5 40 HEBB CCCN1C(=S)N[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)N2CCOCC2)=C1C 5938046 IIBMJVXFBTTWTI-KRWDZBQOSA-N 404.492 2.369 5 40 HEBB CNc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC[C@@H]3C)CC2)cc1[N+](=O)[O-] 12553764 CHABHVFZZODXEE-AWEZNQCLSA-N 424.523 2.438 5 40 HEBB COc1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 35152290 OZBMFFCPDVKRAI-UHFFFAOYSA-N 409.420 2.017 5 40 HEBB O=C(COc1ccccc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5243425 BAJAWQSDJHZFAB-UHFFFAOYSA-N 400.460 2.197 5 40 HEBB CCOC(=O)[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)NS(=O)(=O)c1ccccc1 5325973 DUIPUJOJNWQGBK-OAHLLOKOSA-N 408.432 2.056 5 40 HEBB COC(=O)c1ccc(COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])o1 9539898 AGLPUOKOZGLCID-UHFFFAOYSA-N 410.404 2.338 5 40 HEBB COc1ccc(-c2nnc(O)c3c2[C@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N3)cc1 10295357 HBZKEALWPCODCL-KRWDZBQOSA-N 418.373 2.447 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CN1CCOCC1)c1ccccc1 12764661 XVCMSSSLOMQBCZ-GOSISDBHSA-N 405.476 2.255 5 40 HEBB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC 33769802 ILHOFPFQAYLTKX-GFCCVEGCSA-N 423.447 2.226 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(C(F)(F)F)n1N 36640276 MSWOSBYYZJIZJY-ZCFIWIBFSA-N 406.346 2.047 5 40 HEBB CCCn1c(=N)c(C(=O)NCc2ccc(OC)cc2)cc2c(=O)n3ccccc3nc21 101037326 XUCYEUKRGHEXHK-UHFFFAOYSA-N 417.469 2.477 5 40 HEBB Cc1ccc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] 9561808 SOZLDHXPTWELCE-UHFFFAOYSA-N 424.413 2.497 5 40 HEBB COC(=O)c1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220403219 LEIOAELSXNVSIZ-LBPRGKRZSA-N 421.431 2.175 5 40 HEBB CC[C@H](C(=O)NCCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222513103 YCEFXDRDJMRKIQ-GOSISDBHSA-N 405.476 2.498 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 408703707 XGEOTPVYHHJPEW-UHFFFAOYSA-N 423.447 2.012 5 40 HEBB O=C(O)c1nn(-c2ccccc2[N+](=O)[O-])nc1N1CCN(c2ccccc2F)CC1 256049283 ZEVLXSRNEUJTBC-UHFFFAOYSA-N 412.381 2.339 5 40 HEBB COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccc([N+](=O)[O-])c1 6591346 KJMZYFFMEVWJLW-INIZCTEOSA-N 405.432 2.435 5 40 HEBB Cc1ccc(C(=O)NCCNC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cn1 7367636 UAPKVMCDMDNYSY-UHFFFAOYSA-N 411.462 2.448 5 40 HEBB COC(=O)c1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc([N+](=O)[O-])c1 8705169 NCCLEBHBSHKBHR-UHFFFAOYSA-N 421.431 2.192 5 40 HEBB COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220402308 WFJALSDVRHGVES-GFCCVEGCSA-N 423.447 2.405 5 40 HEBB C[C@@H]1C[C@H]1C(=O)NCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12538046 ZMEIJRRKSJFWNE-DGCLKSJQSA-N 414.384 2.034 5 40 HEBB Cc1ccc(OCCNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 22374795 MRRLGWZLZMNLPS-UHFFFAOYSA-N 421.475 2.173 5 40 HEBB CNc1ccc(C(=O)N2CCC(C(=O)NCCc3ccccn3)CC2)cc1[N+](=O)[O-] 32912026 JCVUSYGPGXXCMR-UHFFFAOYSA-N 411.462 2.243 5 40 HEBB CC[C@@H](C(=O)N[C@@H](C)C(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225226692 ZVYOXKPPGIFBER-JSGCOSHPSA-N 401.485 2.309 5 40 HEBB CC(C)[C@H](NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1)C(=O)O 2948587 LZVIJZUOIDCKJX-DNXIFWLFSA-N 401.375 2.184 5 40 HEBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O 5376814 DLPYQYJYMQVKAU-KRWDZBQOSA-N 408.414 2.365 5 40 HEBB CC(C)COC(=O)CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1 8777163 LNNZQYPDIBUIPH-UHFFFAOYSA-N 411.436 2.277 5 40 HEBB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 9312153 BSIKUHLEOMYPKY-ORGXJRBJSA-N 420.425 2.176 5 40 HEBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 59014084 SWNDPHAEAWOOSJ-UHFFFAOYSA-N 413.415 2.367 5 40 HEBB COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3N3CCCN23)cc1 102684702 LFJYIJPHPSWGEJ-GUDVDZBRSA-N 408.414 2.139 5 40 HEBB CCCN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)NC1=S 9122834 AIXQXEUJEZHUCT-DNVCBOLYSA-N 402.476 2.150 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCn1c(C)csc1=O 14245248 DWWAUFJKLOSPRZ-NSHDSACASA-N 409.420 2.096 5 40 HEBB Cc1cccc([C@@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)N2CCOCC2)c1 29626575 GUIIEIMVDRPWDW-GOSISDBHSA-N 420.491 2.036 5 40 HEBB C[C@H]1CN(C(=O)C2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)C[C@H](C)O1 45801706 XDHVQWQPXFRAMT-GJZGRUSLSA-N 401.467 2.250 5 40 HEBB COC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224762761 QUASXNAOOJUNJV-UHFFFAOYSA-N 410.404 2.224 5 40 HEBB COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3N3CCCN23)cc1 19169607 LFJYIJPHPSWGEJ-QRVBRYPASA-N 408.414 2.139 5 40 HEBB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 40049845 HFKYDBOOHXZIPH-MRXNPFEDSA-N 409.851 2.110 5 40 HEBB CCOCCN(C[C@H](C)C(=O)OC)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 58277875 CSRQRGNKMYGJBH-AWEZNQCLSA-N 404.423 2.068 5 40 HEBB CCn1c(CCn2nc(C)c([N+](=O)[O-])c2C)nnc1SCC(=O)NCC(C)C 2793092 IMTDJNZYVXJZGN-UHFFFAOYSA-N 409.516 2.127 5 40 HEBB Cc1cccc(C(=O)OCC(=O)NCCc2ccc3c(c2)OCCO3)c1[N+](=O)[O-] 11502885 XSRDMFHHPBRCSQ-UHFFFAOYSA-N 400.387 2.190 5 40 HEBB O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@H](c1cccs1)N1CCOCC1 22405945 QTEPMQAWHRYEKU-QGZVFWFLSA-N 419.507 2.441 5 40 HEBB COC(=O)c1cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc([N+](=O)[O-])c1 32999985 KILXDRQSHBPXHC-MRXNPFEDSA-N 419.459 2.246 5 40 HEBB Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cccnc2N2CCOCC2)c1 40106565 RDYJREDVQSRJFN-UHFFFAOYSA-N 400.435 2.220 5 40 HEBB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220406032 ILUBODBROPOXCH-NSHDSACASA-N 407.404 2.117 5 40 HEBB Cn1c(=O)c([N+](=O)[O-])c(Cl)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21 2570397 ALSOVTACIFIDCI-UHFFFAOYSA-N 424.800 2.402 5 40 HEBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 8177730 INWXXFYSIGCANP-UHFFFAOYSA-N 419.507 2.347 5 40 HEBB COc1cccc(-c2nnc(O)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N3)c1 10296827 ZFSYFIVBHHNORK-QGZVFWFLSA-N 418.373 2.447 5 40 HEBB C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 32440580 NFMUJLLGNKXPAU-INIZCTEOSA-N 404.492 2.084 5 40 HEBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(F)c(F)c1F 5849214 DLQJEVYOPSBIKJ-UHFFFAOYSA-N 413.308 2.212 5 40 HEBB COC(=O)c1sc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])c(C(=O)OC)c1C 9506751 JYHDOPYBEYZUET-UHFFFAOYSA-N 415.401 2.306 5 40 HEBB O=C(O)c1cccc([N+](=O)[O-])c1N1CCN(c2c(C(=O)O)cccc2[N+](=O)[O-])CC1 12356966 TZGUMQVZJGQNEQ-UHFFFAOYSA-N 416.346 2.226 5 40 HEBB CNc1ccc([N+](=O)[O-])cc1C(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1 12641454 QNKAKWYKVKGJPQ-UHFFFAOYSA-N 423.447 2.123 5 40 HEBB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 59132394 OFGQNMJVNDCMNM-UHFFFAOYSA-N 413.477 2.426 5 40 HEBB COC(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 3416308 RXPBZJVHKLTRTN-UHFFFAOYSA-N 401.327 2.192 5 40 HEBB CC(C)N1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)NC1=S 8742946 VLVUMFFSSUZIMU-BEFAXECRSA-N 402.476 2.148 5 40 HEBB C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc3c(c2)OCO3)CC1 16482214 VGPPPNCBVVAIAO-OAHLLOKOSA-N 412.446 2.468 5 40 HEBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)NC1CCCC1 40127947 OQMIVTNADCVUFI-UHFFFAOYSA-N 402.407 2.395 5 40 HEBB Cc1nn2c(SCC(=O)NCc3ccccc3F)nc3ccccc3c2nc1=O 58047080 CIRJDTKXGPVTTQ-UHFFFAOYSA-N 409.446 2.494 5 40 HEBB COc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)cc1[N+](=O)[O-] 4476615 WIBHKBYVQRDCHS-HXUWFJFHSA-N 412.402 2.318 5 40 HEBB COc1ccc(N2C(=S)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 12421622 RCSJUGSZMPORPK-IRXDYDNUSA-N 419.484 2.381 5 40 HEBB Nc1nc(NCCCN2CCOCC2)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] 20228309 BWHBKWPGEAYJNU-UHFFFAOYSA-N 407.862 2.498 5 40 HEBB CCn1c(=N)c(C(=O)NCCc2ccc(OC)cc2)cc2c(=O)n3ccccc3nc21 100754820 JVARBOHZBZCILE-UHFFFAOYSA-N 417.469 2.130 5 40 HEBB biogenic Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 7719141 SOOIKGLJPXHUAB-UHFFFAOYSA-N 406.416 2.249 5 40 HEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=CC=NN1[C@H]2C(=O)C(C)(C)C 18141997 MLVLTNRIXBWLPR-LUKYLMHMSA-N 410.430 2.232 5 40 HEBB COC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc(C(=O)OC)c1 14397810 RUBRJPCVWBETMB-UHFFFAOYSA-N 408.388 2.277 5 40 HEBB O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCC2 58023113 KFEALASIEMQYII-UHFFFAOYSA-N 404.448 2.184 5 40 HEBB O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 7728399 XWPYQYNFKDMVHP-CQSZACIVSA-N 405.432 2.304 5 40 HEBB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 22348137 DSVQOOYAHPMKIW-OAHLLOKOSA-N 421.475 2.253 5 40 HEBB Cc1cc(S(=O)(=O)NCCc2nnc(-c3ccccc3)n2C)cc([N+](=O)[O-])c1F 97143622 DTUIVBASJJSNFK-UHFFFAOYSA-N 419.438 2.359 5 40 HEBB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222627292 CYHYQSYHRPGHNQ-ZDUSSCGKSA-N 419.409 2.285 5 40 HEBB COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(F)c1 225113254 URJJUVWZFJJNAG-UHFFFAOYSA-N 412.395 2.419 5 40 HEBB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408624456 UIKGOJILULBRRK-FDJUTITPSA-N 401.806 2.240 5 40 HEBB CC(C)CN(CC(C)C)C(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 3297910 HWJQZAYZYGYSSE-UHFFFAOYSA-N 414.480 2.296 5 40 HEBB CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 5829175 XMSSOZUZDOVZMG-UHFFFAOYSA-N 404.448 2.064 5 40 HEBB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 32966908 VSRLPMRTBAGVKO-MRXNPFEDSA-N 413.430 2.343 5 40 HEBB C[C@@H]1CN(C(=O)C2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)C[C@@H](C)O1 48274209 ASDAZMZQXLDOPD-HUUCEWRRSA-N 401.467 2.250 5 40 HEBB COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224772280 BADCLFRZORKINQ-UHFFFAOYSA-N 424.431 2.289 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=CC=NN1[C@H]2C(=O)C(C)(C)C 16033378 QDGKZHNFOUFZDW-QSPRXWTASA-N 410.430 2.232 5 40 HEBB CCOc1ccc(N2C[C@@H](C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 29697146 LHRDXDHNPKJQBA-KXBFYZLASA-N 413.430 2.196 5 40 HEBB COC(=O)c1cn([C@H]2CCCC[C@H]2NC(=O)CCNc2ccccc2[N+](=O)[O-])nn1 40152499 FFRUZYFDYVYAKP-ZBFHGGJFSA-N 416.438 2.075 5 40 HEBB CCOC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 89978165 IXKCBBWZDMMNEF-GOSISDBHSA-N 419.463 2.432 5 40 HEBB CS(=O)(=O)[C@](Cl)(I)[C@H](O)c1ccc([N+](=O)[O-])cc1 96519963 PHECXICVONBCAI-RKDXNWHRSA-N 405.597 2.000 5 40 HEBB O=C1N[C@H](c2ccccc2[N+](=O)[O-])[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 107326162 DAGYAVSQCLBSSG-WOSRLPQWSA-N 410.308 2.094 5 40 HEBB CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])CC2 555290654 RYJYCILOCZMQPC-HNNXBMFYSA-N 403.464 2.423 5 40 HEBB C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCOCC2)cc1 5709983 WJBMFFPCMYBTQG-ZDUSSCGKSA-N 414.418 2.198 5 40 HEBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1-n1ccnc1 20530094 HABAZNFIFYKLDV-UHFFFAOYSA-N 413.459 2.291 5 40 HEBB C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 32440581 NFMUJLLGNKXPAU-MRXNPFEDSA-N 404.492 2.084 5 40 HEBB CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 225013174 PBVXXCOIBJCZHV-UHFFFAOYSA-N 422.415 2.140 5 40 HEBB COc1ccc([N+](=O)[O-])cc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 409217048 RAGCCQFCCNLDFN-OQLLNIDSSA-N 414.349 2.274 5 40 HEBB C[C@]12CCC(=O)N1[C@@H](C(=O)OCc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CS2 9441252 JTZDZAHNXCYRJX-PXAZEXFGSA-N 404.404 2.142 5 40 HEBB COc1ccc(/C=C(\NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N2CCOCC2)cc1 13126090 GURGVJOHIGYMIH-RGEXLXHISA-N 411.414 2.233 5 40 HEBB COC(=O)C1=C(C(=O)OC)N(c2ccccc2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 32936422 VHFZRKKVGWNSJG-INIZCTEOSA-N 411.370 2.466 5 40 HEBB CCNC(=O)C1CN(c2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])C1 72313868 NEFSNFCBELFUHN-UHFFFAOYSA-N 424.523 2.024 5 40 HEBB O=C(O)CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@]12C(=O)Nc1ccccc12 8771559 GVDUGBYLGHPDLS-HXUWFJFHSA-N 408.370 2.244 5 40 HEBB COc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])cc1OC 8916740 ZFKHNWFAWUGHLB-UHFFFAOYSA-N 416.390 2.483 5 40 HEBB N=c1c2nc(-c3ccccc3[N+](=O)[O-])[nH]c(=O)c2[nH]c(=O)n1-c1ccc(Cl)cc1 100942494 VOXIYOIUYLMBIE-UHFFFAOYSA-N 410.777 2.110 5 40 HEBB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 223762223 KIUFGPKHCLLUKS-UHFFFAOYSA-N 404.404 2.440 5 40 HEBB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225208312 XPLGKWTYLXUIMT-AWEZNQCLSA-N 401.419 2.146 5 40 HEBB Cc1n[nH]c(O)c1[C@H](c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1c(O)n[nH]c1C 96193540 ROGWKOATUVGFGA-UHFFFAOYSA-N 414.422 2.086 5 40 HEBB CN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N(C)C1=S 6672850 OZYLHKINEUHKPI-OAHLLOKOSA-N 402.476 2.102 5 40 HEBB O=C(Nc1ccccc1O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 32779943 RYYBGUBSASVBEX-INIZCTEOSA-N 405.432 2.482 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38856412 WFELIZPHCUVUNJ-KRWDZBQOSA-N 421.431 2.159 5 40 HEBB CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] 40114818 BESCTAVNROOUCL-YJBOKZPZSA-N 424.523 2.311 5 40 HEBB O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 5447446 FHYHFGJVVNJYIH-CQSZACIVSA-N 405.432 2.304 5 40 HEBB Cc1cccc(C(=O)OCC(=O)N(C)C[C@H]2COc3ccccc3O2)c1[N+](=O)[O-] 13159785 JRPMCYAOXCQINH-AWEZNQCLSA-N 400.387 2.358 5 40 HEBB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCc2cccc([N+](=O)[O-])c2)cc1 14231597 DIUGVFWKKGIPLN-UHFFFAOYSA-N 406.416 2.209 5 40 HEBB CC(C)(CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])N1CCOCC1 22019069 QZJYCFURESLRJX-UHFFFAOYSA-N 411.402 2.411 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCc1c(C)nn(C)c1C 29657099 QGFFMWUKLHPIQF-ZDUSSCGKSA-N 404.423 2.457 5 40 HEBB O=C(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)Nc1ccc(N2CCOCC2)cc1 58174253 SNZBFVPOMQHULN-UHFFFAOYSA-N 408.418 2.329 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 11000609 ZKRSJWAVSSMZGA-UHFFFAOYSA-N 403.460 2.440 5 40 HEBB Cc1cccc(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 13671952 YYRRDMWKHAQDDV-UHFFFAOYSA-N 405.476 2.418 5 40 HEBB COc1ccccc1CN(C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 20460669 JSCXISJORDZLMK-UHFFFAOYSA-N 421.475 2.336 5 40 HEBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 44811674 HVCLOMDLUWRTNC-ZDUSSCGKSA-N 417.491 2.230 5 40 HEBB Cc1nn2c(SCC(=O)NCc3ccc(F)cc3)nc3ccccc3c2nc1=O 58047088 BNICRAHEVLRSOO-UHFFFAOYSA-N 409.446 2.494 5 40 HEBB Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 95459225 HUAYCQMYIUOODI-GOSISDBHSA-N 410.434 2.345 5 40 HEBB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1cc([N+](=O)[O-])ccc1Cl 104927187 LQBXZAKUPBZOAS-UHFFFAOYSA-N 402.750 2.280 5 40 HEBB COc1ccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 6405543 DGRKMQNNMSVLLB-SJORKVTESA-N 403.416 2.216 5 40 HEBB CCc1n[nH]c(-n2ccc3nc4ccn(-c5ccc(OC)cc5)c(=O)c4cc3c2=O)n1 40399137 DEOCNWWGLVDQIZ-UHFFFAOYSA-N 414.425 2.379 5 40 HEBB Cc1ccc2nc3c(cc(C(=O)NC[C@@H]4CCCO4)c(=N)n3C3CCCC3)c(=O)n2c1 100627867 XBJXNBYASPPRTL-INIZCTEOSA-N 421.501 2.461 5 40 HEBB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 224275370 MFNLOIVISHSUBM-UHFFFAOYSA-N 419.459 2.188 5 40 HEBB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1 5708725 ZXYCUDWIQKNHED-GASCZTMLSA-N 405.451 2.093 5 40 HEBB COc1ccc(S(=O)(=O)NCC(=O)OCc2ccccc2Cl)c([N+](=O)[O-])c1 16215670 GKONIHZPRDKVIO-UHFFFAOYSA-N 414.823 2.279 5 40 HEBB Cc1ccc(Nc2nc(NCCCN3CCOCC3)nc(N)c2[N+](=O)[O-])cc1C 20327091 JXNSQQRBHSLNMA-UHFFFAOYSA-N 401.471 2.462 5 40 HEBB O=C(NC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 28052552 XVRCBHVISKMDBV-UHFFFAOYSA-N 407.423 2.317 5 40 HEBB CC(C)Cn1c2nc3ccccc3nc2c2c(=O)n(CCN3CCOCC3)cnc21 20057242 UZEDOLZGHXNXQZ-UHFFFAOYSA-N 406.490 2.283 5 40 HEBB O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 22629100 XKFHABUVOOMZFS-SNAWJCMRSA-N 407.473 2.203 5 40 HEBB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=c2/sc3nc4ccccc4n3c2=O)CC1 409006935 LLMACTXHIXDAKV-CPNJWEJPSA-N 421.482 2.117 5 40 HEBB Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4[N+](=O)[O-])nc32)cc1C 4518755 ZNRQZNSKQMXKII-UHFFFAOYSA-N 404.386 2.400 5 40 HEBB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1 5708729 ZXYCUDWIQKNHED-HUUCEWRRSA-N 405.451 2.093 5 40 HEBB CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 89977347 JXALOQIOSUPEAK-CYBMUJFWSA-N 404.446 2.100 5 40 HEBB Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(C)c1 223248939 XCRSMLXKJMAEFO-UHFFFAOYSA-N 407.448 2.479 5 40 HEBB COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225009687 PKWYVMAXQCWWGB-UHFFFAOYSA-N 409.376 2.180 5 40 HEBB Cc1n[nH]c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1[N+](=O)[O-] 8661392 ZGDUNCVCEJPGSC-UHFFFAOYSA-N 402.436 2.155 5 40 HEBB O=c1[nH]c(/C=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)c([N+](=O)[O-])c(=O)[nH]1 107602789 UOIDQZAUEXOETL-VOTSOKGWSA-N 410.342 2.346 5 40 HEBB O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC(C(=O)N2CCCCC2)CC1 8767070 LXJFVEYXCPTEIE-UHFFFAOYSA-N 412.450 2.040 5 40 HEBB C[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 12823257 VULZGFVEYAFKTQ-NWDGAFQWSA-N 411.370 2.150 5 40 HEBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1C 12856310 FELIZWUOZLDILX-UHFFFAOYSA-N 410.496 2.124 5 40 HEBB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])[C@@H]1C(=O)c3ccccc3C1=N2 649637 PHSRBMIRXRLMSD-HOTGVXAUSA-N 416.393 2.071 5 40 HEBB COc1ccccc1N1C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]2CS(=O)(=O)C[C@@H]21 4393622 SFBXONOUYYIQBC-HOTGVXAUSA-N 403.416 2.216 5 40 HEBB Cc1sc2[nH]c(CN3CCN(c4ncccc4[N+](=O)[O-])CC3)nc(=O)c2c1C 32679058 MWUVJSFGAGLZHJ-UHFFFAOYSA-N 400.464 2.227 5 40 HEBB COc1cc(OCC(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1[N+](=O)[O-] 224576340 MTGHOIJKSZIAME-UHFFFAOYSA-N 415.446 2.131 5 40 HEBB CCn1ncc(Cn2cc(NC(=O)CCn3cc(Cl)c([N+](=O)[O-])n3)cn2)c1C 2730590 DTURHFVFBZTSDF-UHFFFAOYSA-N 406.834 2.243 5 40 HEBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)N1CCCC1=O 5940230 RSKVTJKNLJLUKG-VIFPVBQESA-N 403.313 2.106 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 8267180 GPOVDNYFEJQDAJ-UHFFFAOYSA-N 419.459 2.485 5 40 HEBB NC(=O)c1ccccc1OCCC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 84497870 HXKFSGDBBMOGHR-UHFFFAOYSA-N 421.793 2.298 5 40 HEBB C[C@H](OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccccc1 3403753 VARQLRKBGFKRJA-LBPRGKRZSA-N 411.370 2.151 5 40 HEBB O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2ncnc3c2cnn3-c2ccccc2)cc1 9513351 PKEUIIZCHBNXIO-QZTJIDSGSA-N 406.402 2.230 5 40 HEBB CCOC(=O)c1ccsc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 23074649 CBKAXXXGDTUGFR-UHFFFAOYSA-N 403.372 2.068 5 40 HEBB COc1cccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@@H]23)c1OC 102556973 UWXKKHUMNBVSTH-YJBOKZPZSA-N 411.370 2.213 5 40 HEBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C[C@H](NC(C)=O)c1ccccc1 4220369 XPFLOKFPFOYIJG-KRWDZBQOSA-N 415.402 2.353 5 40 HEBB C[C@@H](OC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 10595198 GPDGLKFKJOWETH-SNVBAGLBSA-N 413.308 2.346 5 40 HEBB O=[N+]([O-])c1ccc(CN2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 15401365 JTSBKBYLOCMWKG-UHFFFAOYSA-N 403.460 2.178 5 40 HEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)NC2CCCCC2)c1 7939813 KXKZUWAGWWMTBZ-UHFFFAOYSA-N 407.423 2.314 5 40 HEBB CC(=O)N1c2ccccc2Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc([N+](=O)[O-])c1 9359137 PRVNTGURRZCMPW-GOSISDBHSA-N 422.397 2.240 5 40 HEBB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 9442112 VKFNJBRYOGVONE-UHFFFAOYSA-N 422.415 2.069 5 40 HEBB COC(=O)c1ccc(CN(C)C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 48149672 GKGYYBBXNQXZMW-UHFFFAOYSA-N 406.416 2.057 5 40 HEBB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222436221 IGCANWFCSXMXBX-HNNXBMFYSA-N 415.446 2.454 5 40 HEBB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C/C=C/c2ccccc2)CC1 7141332 UFOCMMGUUOGWSC-QPJJXVBHSA-N 402.476 2.078 5 40 HEBB C[C@@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 58161262 PSJLFTUIEPLQGF-SNVBAGLBSA-N 412.855 2.012 5 40 HEBB CCOC(=O)c1sc2ncn(CC(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)c2c1C 28828701 UTNFGZHIWIFEON-UHFFFAOYSA-N 416.415 2.490 5 40 HEBB COc1ccc(-c2noc(CNS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)cc1 223771859 HRJAROZEEBUEMO-UHFFFAOYSA-N 404.404 2.440 5 40 HEBB COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1S(N)(=O)=O 9121318 UUTILLSIWBWRTA-UHFFFAOYSA-N 420.447 2.103 5 40 HEBB Cc1ccc(-n2ncc3c(=O)n(NC(=O)Cc4ccc([N+](=O)[O-])cc4)cnc32)cc1C 10252142 QIGBBXDFYHWFKQ-UHFFFAOYSA-N 418.413 2.420 5 40 HEBB C[C@@H](C(=O)OCCOc1ccccc1F)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 12787946 RCPIHRLFVVAMRL-NSHDSACASA-N 402.334 2.341 5 40 HEBB COCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc2c1OCOC2 40150879 HEOUMIJFUCFBOQ-UHFFFAOYSA-N 410.404 2.417 5 40 HEBB CCOc1ccc(CNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220418524 RDOWFWFKUGESQY-CQSZACIVSA-N 421.475 2.464 5 40 HEBB O=C(Cn1cc(C(F)(F)F)ccc1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 9487083 VZEKYDCYOMDVQP-UHFFFAOYSA-N 414.292 2.385 5 40 HEBB CNC(=O)c1ccc(CN(C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 29929682 LGMGXJVXEYVPSB-ZDUSSCGKSA-N 400.435 2.422 5 40 HEBB CC(C)C[C@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])N(C)C 12521836 DOAOOEMKNJDRBR-OAHLLOKOSA-N 414.528 2.004 5 40 HEBB COc1ccc(NC(=O)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 4016559 LYNQMBQKEZZKPK-UHFFFAOYSA-N 404.335 2.488 5 40 HEBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 12533623 OCHCFEUBXWUVAD-GASCZTMLSA-N 405.451 2.093 5 40 HEBB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] 554871497 UMXYNVRIFKFSTP-KRWDZBQOSA-N 410.434 2.393 5 40 HEBB Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc(C(=O)O)c1O 20142898 IOMPBZQOMRCEDK-UHFFFAOYSA-N 401.375 2.396 5 40 HEBB CC[C@H]1CCCCN1C(=O)COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 28830509 NSYBDIMFGTXICO-ZDUSSCGKSA-N 409.464 2.120 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O 408679478 LYXOZCCKULKORX-UHFFFAOYSA-N 415.374 2.286 5 40 HEBB C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 8038747 CSDAJIPTNWMUHE-GDBMZVCRSA-N 411.414 2.368 5 40 HEBB COc1cccc(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 22347925 AWDZNDHMLTXJJI-UHFFFAOYSA-N 421.475 2.118 5 40 HEBB O=c1/c(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)sc2nc3ccccc3n12 59305803 NLYDLELEQXSGKI-LDADJPATSA-N 408.439 2.202 5 40 HEBB Cn1c(=O)c2[nH]c(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)nc2n(C)c1=O 5027038 HWRPLSQCZHIVLI-UHFFFAOYSA-N 407.386 2.115 5 40 HEBB COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)Nc3cccc([N+](=O)[O-])c3)n2)c1 5409575 ACEATUVBCQKEAR-UHFFFAOYSA-N 410.386 2.474 5 40 HEBB COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)c([N+](=O)[O-])c1 6166739 NITTZYWDNHVNRS-UHFFFAOYSA-N 415.431 2.287 5 40 HEBB Cc1cccc(N2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)c1C 7283724 LEJWHTHQOCHLCL-UHFFFAOYSA-N 410.430 2.468 5 40 HEBB CCOC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224748485 XCKAQZJWEMXVPM-UHFFFAOYSA-N 422.415 2.140 5 40 HEBB CCn1ccnc1CN1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 609274965 XUTVLXHPVXBIIC-MRXNPFEDSA-N 400.483 2.346 5 40 HEBB Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C(=O)N1CCC(C(N)=O)CC1 27299095 BGBKOTWMLKOBMF-UHFFFAOYSA-N 410.430 2.493 5 40 HEBB Cc1cnc2c(S(=O)(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)cccc2c1 32825082 DLHDGWQCEJIHOB-UHFFFAOYSA-N 413.459 2.357 5 40 HEBB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC 33751205 GJYXQTYZTKUHAP-GFCCVEGCSA-N 423.447 2.226 5 40 HEBB COC(=O)c1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1N1CCOCC1 4710783 GKYPRHPCFJPYJB-UHFFFAOYSA-N 415.402 2.236 5 40 HEBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4O[C@@H]([C@H]5ON=C(c6cccc([N+](=O)[O-])c6)[C@H]54)[C@@H]3C2=O)cc1 9267066 HQPFZCOCKIJOOR-AEVHBADWSA-N 419.393 2.209 5 40 HEBB CC1CCC(N(C)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 32770683 LKCFHIKTQGQEOT-UHFFFAOYSA-N 419.525 2.044 5 40 HEBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4O[C@H]([C@H]3C2=O)[C@@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]42)cc1 248093438 HQPFZCOCKIJOOR-SHAPNJEPSA-N 419.393 2.209 5 40 HEBB O=C1C[C@@H](NC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C(=O)N1c1ccc(F)cc1 18217944 BTKQXADAWNVTOA-QGZVFWFLSA-N 413.409 2.019 5 40 HEBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)c2cccs2)C1 23018473 VLVIIHPCWGDAIB-GOEBONIOSA-N 403.460 2.358 5 40 HEBB COc1ccc(C(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 20154273 YRYFVVXTBFCNRG-UHFFFAOYSA-N 401.379 2.174 5 40 HEBB COC(=O)C1(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CCCCC1 22503863 LWBGZMRLQYDVCP-UHFFFAOYSA-N 414.418 2.055 5 40 HEBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CCCO1 44802946 JISHUNWDDYUUEZ-MRXNPFEDSA-N 419.459 2.085 5 40 HEBB CS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1cccc([N+](=O)[O-])c1 96519984 PAQOSPNLCDYULN-IUCAKERBSA-N 405.597 2.000 5 40 HEBB O=C(NC[C@H]1CCCO1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 199407966 ZZAQZQNKFVUJIW-WBVHZDCISA-N 419.821 2.129 5 40 HEBB Cc1c2ccccc2c(CN(C)CC(=O)NCC(=O)NCC(=O)O)c2ccccc12 1678480 LJYNTXFLLSEVAT-UHFFFAOYSA-N 407.470 2.050 5 40 HEBB Cc1nn(Cc2ccc(C(=O)N3N=CC[C@@]3(O)C(F)(F)F)o2)c(C)c1[N+](=O)[O-] 6526488 MRKPHNLHQWCPTG-CQSZACIVSA-N 401.301 2.132 5 40 HEBB Cc1ccc(N2C(=O)[C@H]3[C@H]4O[C@@H]([C@H]5ON=C(c6cccc([N+](=O)[O-])c6)[C@@H]54)[C@@H]3C2=O)cc1 103524188 HQPFZCOCKIJOOR-NGIBWZRKSA-N 419.393 2.209 5 40 HEBB Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCOCC1 408601369 GBIQAHJUGDDMES-UHFFFAOYSA-N 419.459 2.485 5 40 HEBB Cc1cc(=O)c(C(=O)NC[C@@H](c2ccccc2)N(C)C)nn1-c1ccccc1[N+](=O)[O-] 15589991 DMJLUFBGAHFBFW-IBGZPJMESA-N 421.457 2.482 5 40 HEBB Cc1cc(=O)c(C(=O)N(C)Cc2ccc3c(c2)OCO3)nn1-c1ccccc1[N+](=O)[O-] 18156468 IHCBKNGMSQUJCU-UHFFFAOYSA-N 422.397 2.450 5 40 HEBB COc1ccccc1N1CCN([C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 18249449 JBVVRBGZTCQRGM-GOSISDBHSA-N 410.430 2.058 5 40 HEBB C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2cn3ccccc3n2)CC1 32853691 RICAXNLGWWYCNG-MRXNPFEDSA-N 408.462 2.387 5 40 HEBB CC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc[nH]n1 79060799 RHBVZFQEHYZFJX-LLVKDONJSA-N 415.859 2.303 5 40 HEBB CCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2=O)cc1 4033802 TZNRTGMGCIORPP-UHFFFAOYSA-N 414.349 2.224 5 40 HEBB COc1ccc(-c2cc(C(F)(F)F)nc(-n3cc([N+](=O)[O-])c(C(N)=O)n3)n2)cc1 4176431 AWSPMXYAJDJBIC-UHFFFAOYSA-N 408.296 2.364 5 40 HEBB COc1ccc(OC)c(Nc2nc(N3C[C@H](C)O[C@@H](C)C3)nc(N)c2[N+](=O)[O-])c1 9312252 KXZGQNQAXAOTKT-QWRGUYRKSA-N 404.427 2.341 5 40 HEBB O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@](O)(C(F)(F)F)N1 3179960 TUVHGKFBTZZXMO-IOASZLSFSA-N 410.308 2.094 5 40 HEBB COC(=O)c1cc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1N1CCOCC1 4711495 XMTISMPLUGGRDE-UHFFFAOYSA-N 415.402 2.479 5 40 HEBB COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224773916 FFYSDGNDESKMGQ-UHFFFAOYSA-N 424.431 2.289 5 40 HEBB Cc1ccc(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 10834055 JFUDWUDLQVLIGS-CQSZACIVSA-N 407.448 2.124 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 4569240 DPPHMLNUFGCXRZ-QGZVFWFLSA-N 403.460 2.486 5 40 HEBB O=C1C[C@H](NC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C(=O)N1c1ccc(F)cc1 100210029 BTKQXADAWNVTOA-KRWDZBQOSA-N 413.409 2.019 5 40 HEBB CCn1c(=N)c(C(=O)NCc2ccc(OC)cc2)cc2c(=O)n3cccc(C)c3nc21 101140930 SJPNYRSTDHCQSG-UHFFFAOYSA-N 417.469 2.396 5 40 HEBB Cc1c(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220025615 GRSIXBSUWFGHFI-UHFFFAOYSA-N 403.460 2.254 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225639353 UXWOVEKCYOHFHE-UHFFFAOYSA-N 415.453 2.240 5 40 HEBB O=[N+]([O-])c1cnn(CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1 12943082 CZFCZGMYRLCFCR-UHFFFAOYSA-N 420.278 2.062 5 40 HEBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225033198 NICUPXIPYJLECM-UHFFFAOYSA-N 409.376 2.261 5 40 HEBB CC(=O)Nc1ccc(C(=O)NN2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1634698 DEDOOFKBHPSBOY-GOSISDBHSA-N 400.416 2.472 5 40 HEBB COC[C@](C)(CCO)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] 79099214 IHEFLJSVFKVKHE-KDOFPFPSSA-N 415.512 2.215 5 40 HEBB NC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1[nH]c(=O)n2-c1cccc(Cl)c1 4274079 HPFOUENPDUUHBZ-UHFFFAOYSA-N 410.777 2.436 5 40 HEBB O=C(c1ccc2c(c1)OCO2)N1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 26613231 FGPOUASVIZUHTL-UHFFFAOYSA-N 409.402 2.089 5 40 HEBB Cc1ccccc1CN1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 32483316 SVARKFAOVDJHSH-UHFFFAOYSA-N 410.474 2.368 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 89518854 PHCUCRZMSHHYEJ-PMUMKWKESA-N 416.478 2.406 5 40 HEBB COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@@H]23)cc1OC 102564083 GPTJDNKNJXNIQE-WMZOPIPTSA-N 411.370 2.213 5 40 HEBB COc1cccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)c1OC 102890620 HYJZTRGMCUCHGI-MAUKXSAKSA-N 411.370 2.213 5 40 HEBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 4482070 DPANRFFRUKRGLS-UHFFFAOYSA-N 409.395 2.007 5 40 HEBB COc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4889925 SAWCWCHJMASHNM-UHFFFAOYSA-N 415.402 2.236 5 40 HEBB O=C1N[C@@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(O)=Nc2ccccc21 32102171 WPOJSMYKNYDWKZ-SFHVURJKSA-N 423.429 2.034 5 40 HEBB COc1ccc(OC)c(N(CC(=O)O)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 225077088 APAJDUAGNHFMHY-UHFFFAOYSA-N 410.404 2.200 5 40 HEBB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 20292690 RLECGFLZYIEZDY-MANSERQUSA-N 419.393 2.283 5 40 HEBB COC(=O)c1ccccc1C(=O)c1ccc(N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 32905400 VZCWMFKAJKDXKP-ZDUSSCGKSA-N 418.427 2.211 5 40 HEBB O=C(CN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1)Nc1cccc(F)c1 36476296 SWCCFPZVNTVMHA-UHFFFAOYSA-N 400.410 2.059 5 40 HEBB C[C@@H]1CCCN(C(=O)C2CCN(Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)C1 48288028 PLRZBSUNHWWCTD-CQSZACIVSA-N 402.451 2.431 5 40 HEBB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1774447 HNXNJEUONJUPCC-KRWDZBQOSA-N 412.358 2.498 5 40 HEBB biogenic C[C@H]1CCC[C@H](C)C12NC(=O)N(CN1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2=O 12538341 LUVOCZNXJAZVEN-HOTGVXAUSA-N 415.494 2.421 5 40 HEBB O=C1C[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40399222 LDOGWKPDUDGXST-GFCCVEGCSA-N 420.385 2.486 5 40 HEBB CCCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)NC1=S 230042029 AIXQXEUJEZHUCT-KXBFYZLASA-N 402.476 2.150 5 40 HEBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)OC(C)C 408599975 PZJMSLBIGLRRQR-FNORWQNLSA-N 405.363 2.305 5 40 HEBB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247850616 RLECGFLZYIEZDY-YRXWBPOGSA-N 419.393 2.283 5 40 HEBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c([N+](=O)[O-])c1 408572526 JGGQOYTYUSDSHV-UHFFFAOYSA-N 418.362 2.235 5 40 HEBB CC(=O)N[C@@H](CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 6084946 VFELMEVVTNUFDP-INIZCTEOSA-N 403.366 2.483 5 40 HEBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N1CCOCC1 9295467 TUGOWTRBWALFIV-GQCTYLIASA-N 403.391 2.308 5 40 HEBB COCCn1c(=N)c(C(=O)NCc2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 100627913 HKDLDKRAHPOILL-UHFFFAOYSA-N 417.469 2.013 5 40 HEBB CCOC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224754213 RUXKKHDKTZPJPS-UHFFFAOYSA-N 422.415 2.124 5 40 HEBB COC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224788438 ADDJJEDAHMNOFB-UHFFFAOYSA-N 422.415 2.058 5 40 HEBB O=C(/C=C/c1cccs1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 6507481 IPJBNNPHBCGHME-VOTSOKGWSA-N 407.473 2.203 5 40 HEBB Cc1c(C(=O)NCc2nnc(SCC(=O)NC3CCCC3)o2)cccc1[N+](=O)[O-] 9518648 BSNZYAJXVWJEPD-UHFFFAOYSA-N 419.463 2.367 5 40 HEBB C[C@@H](NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc2c(c1)OCO2 16564989 ACWIFZGIVOMPRT-OAHLLOKOSA-N 412.446 2.323 5 40 HEBB COc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4o3)CC2)cc1[N+](=O)[O-] 24972682 AYALSWGFBNQHEW-UHFFFAOYSA-N 418.431 2.256 5 40 HEBB COCCN1CC[C@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 58174357 XTECGRRJJNUVJF-LLVKDONJSA-N 411.402 2.269 5 40 HEBB O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O)N1CCOCC1 214300422 PCTMSMAYDYSVQM-MDWZMJQESA-N 411.823 2.143 5 40 HEBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] 3405342 YNBTYGSHPQQZMD-UHFFFAOYSA-N 418.427 2.283 5 40 HEBB COc1cc(OCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1[N+](=O)[O-] 147240809 PRPGQHNZIOFDOF-GFCCVEGCSA-N 408.432 2.263 5 40 HEBB COc1cc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c([N+](=O)[O-])cc1OC 23105681 AVEUIGBKQIYDAS-OAHLLOKOSA-N 421.475 2.477 5 40 HEBB C[C@H]1CN(C(=O)C2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)C[C@@H](C)O1 48274204 ASDAZMZQXLDOPD-GASCZTMLSA-N 401.467 2.250 5 40 HEBB CCOC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225000571 WWQVUQFXXPDTBL-UHFFFAOYSA-N 422.415 2.140 5 40 HEBB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2N2CCOCC2)cc1[N+](=O)[O-] 12634124 NUVLTTHANKIBFA-UHFFFAOYSA-N 421.475 2.261 5 40 HEBB O=[N+]([O-])c1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 19889713 KJGQEMBWUGWVCX-UHFFFAOYSA-N 406.420 2.010 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c(C)c1 1073075 KHGSGWSYLSIUCM-UHFFFAOYSA-N 403.460 2.358 5 40 HEBB COc1ccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC 220233774 IKSNOFNCWYHDBT-LBPRGKRZSA-N 423.447 2.405 5 40 HEBB Cn1nnnc1Sc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 3430776 NRRZJVKMTRHWMO-UHFFFAOYSA-N 400.376 2.251 5 40 HEBB CC(C)c1nc(SCc2cccc([N+](=O)[O-])c2)c2c(=O)n(C)c(=O)n(C)c2n1 4139032 ZQPCVBCLLWHOID-UHFFFAOYSA-N 401.448 2.351 5 40 HEBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 4305102 OJMLQMFFNZGBRB-HXUWFJFHSA-N 412.402 2.318 5 40 HEBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2)CC1=O 8433865 JGOATBGOFKLXKG-ZDUSSCGKSA-N 413.386 2.138 5 40 HEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cccs1 8655759 IMMOEYYKMPKDAV-XLNRJJMWSA-N 408.439 2.166 5 40 HEBB COc1ccc(-c2nnc3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n23)cc1OC 9189109 IXOLRBMQGVUNIL-CXUHLZMHSA-N 410.411 2.291 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 223652783 VMHCOMJIBMBMKQ-UHFFFAOYSA-N 418.475 2.092 5 40 HEBB O=C(O)c1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CCN(Cc2ccccc2)CC1 256046044 CIWJFABJGFLOSP-UHFFFAOYSA-N 408.418 2.196 5 40 HEBB COc1ccc(NC(C)=O)cc1NC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO 10170388 ODZPSUZWJHGXQM-UHFFFAOYSA-N 417.422 2.017 5 40 HEBB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 248158397 FGMRIYXBKDSDSE-QLDGJZPUSA-N 420.425 2.176 5 40 HEBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc2c(c1)OCO2 7977429 FUOBYPZUCTWXJU-UHFFFAOYSA-N 414.370 2.200 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 20492108 OSDIZUIGIOWZAE-UHFFFAOYSA-N 410.427 2.294 5 40 HEBB CC(C)CCC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] 29939683 KQHCJKRQGGUXER-CYBMUJFWSA-N 421.541 2.338 5 40 HEBB COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 98009205 UTMAJPFQDRKOHX-ZSOIEALJSA-N 414.823 2.385 5 40 HEBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224784666 SOAIBFHJXSEBTA-UHFFFAOYSA-N 423.403 2.488 5 40 HEBB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)Nc3cccc([N+](=O)[O-])c3)cnc21 4479034 NBMVSRDNOLWZHY-UHFFFAOYSA-N 404.386 2.438 5 40 HEBB COc1ccc(OC)c(Nc2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])c1 9312253 KXZGQNQAXAOTKT-GHMZBOCLSA-N 404.427 2.341 5 40 HEBB CCOC(=O)c1sc2ncn(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c(=O)c2c1C 28828706 UDAFGDDFRYTSNB-UHFFFAOYSA-N 416.415 2.490 5 40 HEBB COc1ccc(-c2nc3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1OC 33335093 IMXHGNYOPSCZAK-CXUHLZMHSA-N 410.411 2.291 5 40 HEBB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220409481 JCGVIMVNIYNSBI-NSHDSACASA-N 408.392 2.296 5 40 HEBB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 6043815 OCHCFEUBXWUVAD-HUUCEWRRSA-N 405.451 2.093 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C 8269934 SOAALVDOBYQYCJ-UHFFFAOYSA-N 419.459 2.485 5 40 HEBB COc1ccc([N+](=O)[O-])cc1N1C(=S)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]21 12421646 UQOVSKOAXRVIDU-HOTGVXAUSA-N 419.484 2.381 5 40 HEBB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704436 NKUKDFOCXVNJJZ-LBPRGKRZSA-N 421.431 2.159 5 40 HEBB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1[N+](=O)[O-] 9126594 VBFIDDVFJYXRET-UHFFFAOYSA-N 406.420 2.260 5 40 HEBB C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=S)N(C4CC4)C3=O)[C@@H]2C1 17057399 FOKAVCWXEQFMQC-MGZSFGTLSA-N 414.487 2.148 5 40 HEBB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO 20892452 BTDPYVWIMIVLFF-UHFFFAOYSA-N 423.809 2.457 5 40 HEBB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 71980339 LZEXOQOEIGDXBX-HNNXBMFYSA-N 411.842 2.376 5 40 HEBB O=C(NC[C@H]1CS(=O)(=O)CCO1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 95454258 JBXKODIAIXILOG-NSHDSACASA-N 414.823 2.052 5 40 HEBB CCOc1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 10294689 NUVUNIKCCJTUEA-UHFFFAOYSA-N 423.447 2.407 5 40 HEBB Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)COc1ccc2c(c1)CCC(=O)N2 25669153 WEOMTQWAUQDIEV-UHFFFAOYSA-N 413.386 2.349 5 40 HEBB CC(C)CCC[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] 29939685 KQHCJKRQGGUXER-ZDUSSCGKSA-N 421.541 2.338 5 40 HEBB COc1ccc(-n2nns/c2=N\c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 100369777 RWMUKBWARQJZMR-PFONDFGASA-N 419.335 2.294 5 40 HEBB CCOC(=O)C1=C(C)n2c(sc(=C(C)C)c2=O)=N[C@H]1c1cccc([N+](=O)[O-])c1 408731919 QUBFTMURFSCZQW-HNNXBMFYSA-N 401.444 2.177 5 40 HEBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2ccc(-c3ccccc3)nn2)cc1 10275793 HGUUARGUTRIZTA-UHFFFAOYSA-N 400.416 2.409 5 40 HEBB O=[N+]([O-])c1ccc(N2CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 29915122 KQACZBPQPPLFAW-UHFFFAOYSA-N 424.509 2.307 5 40 HEBB COc1ccccc1C(=O)Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O 32831892 PHAGCGAHWSESDJ-UHFFFAOYSA-N 405.370 2.382 5 40 HEBB C[C@@H](C(=O)NCCSC(C)(C)C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220408318 XBTNSDGEBPOMIR-LBPRGKRZSA-N 403.526 2.397 5 40 HEBB O=C(Oc1ccc(N2C(=O)CCC2=O)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408649939 AQJQIZPJENOMFA-ZDUSSCGKSA-N 423.381 2.207 5 40 HEBB C[C@@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)NC1CCCCC1 21688422 BCCNGHODSDXLGJ-LLVKDONJSA-N 409.464 2.166 5 40 HEBB COc1ccc(C(=O)N2CCC(C(=O)NCCc3ccccn3)CC2)cc1[N+](=O)[O-] 32912019 HHBJLCSUQBEFRL-UHFFFAOYSA-N 412.446 2.210 5 40 HEBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O)c1cccs1 7881764 LNNVHFUPGHIBQH-UHFFFAOYSA-N 401.400 2.436 5 40 HEBB CCN(CC)C(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2C)o1 10385673 CTBKOXAKRNHBTB-UHFFFAOYSA-N 407.452 2.177 5 40 HEBB Cc1ccc(N2C[C@@H](C(=O)OCN3C(=O)c4ccccc4C3=O)CC2=O)cc1[N+](=O)[O-] 408650886 BVHNGJLHSSIHJC-ZDUSSCGKSA-N 423.381 2.053 5 40 HEBB C[C@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)N1C(=O)c2ccccc2C1=O 3352122 HAZZQXIPVIKPLT-LLVKDONJSA-N 412.354 2.189 5 40 HEBB COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)c1OC 102890617 HYJZTRGMCUCHGI-YJBOKZPZSA-N 411.370 2.213 5 40 HEBB O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 229655693 PTAAMSSDVVNNBX-FBAVSBLXSA-N 418.409 2.026 5 40 HEBB Cc1ccc(C(=O)NCCCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cn1 7367638 FGOXXNOFMKGAAF-UHFFFAOYSA-N 411.462 2.448 5 40 HEBB O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9355756 QJFGGMKIWBNDDT-UHFFFAOYSA-N 417.487 2.354 5 40 HEBB O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 89780835 MCWQMHONCXRWGM-UHFFFAOYSA-N 417.487 2.177 5 40 HEBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224839597 ZPOMQUCGGLQYRX-UHFFFAOYSA-N 422.415 2.043 5 40 HEBB CN1C(=O)c2ccc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2C1=O 25439073 ZPZUWRGWWJNUAW-UHFFFAOYSA-N 417.761 2.270 5 40 HEBB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1[N+](=O)[O-] 8410856 FYKLARVKHRUOSO-UHFFFAOYSA-N 411.370 2.352 5 40 HEBB CCOc1ccc(NC(=O)COC(=O)c2ccc(NC(N)=O)cc2)c([N+](=O)[O-])c1 9613187 BNWPIIUHYAUEJO-UHFFFAOYSA-N 402.363 2.280 5 40 HEBB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 223770781 AXALGNLJTOFLHI-UHFFFAOYSA-N 420.403 2.141 5 40 HEBB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3N3CCCN23)cc1 19169319 HNHULONBMOKPMS-FHWLQOOXSA-N 408.414 2.139 5 40 HEBB COc1cccc(-c2nnc(O)c3c2[C@@H](c2ccccc2[N+](=O)[O-])n2nnnc2N3)c1 10296851 FZHXJFXGYIYWGD-QGZVFWFLSA-N 418.373 2.447 5 40 HEBB CC(C)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 15975125 BSIKUHLEOMYPKY-FOUBCARRSA-N 420.425 2.176 5 40 HEBB O=C(NCCCN1CCCC1=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 23187119 WLQQWDTUXAFSAM-MJGOQNOKSA-N 400.479 2.255 5 40 HEBB CCOCCN(C[C@@H](C)C(=O)OC)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 58277873 CSRQRGNKMYGJBH-CQSZACIVSA-N 404.423 2.068 5 40 HEBB C[C@@H](OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccccc1 3403756 VARQLRKBGFKRJA-GFCCVEGCSA-N 411.370 2.151 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)cc1 13667840 ZCLHBFAFDZQDSZ-IZZDOVSWSA-N 415.471 2.450 5 40 HEBB NS(=O)(=O)c1ccc(Br)c(C(=O)OCc2ccccc2[N+](=O)[O-])c1 25128113 KYERYIJRCNDENF-UHFFFAOYSA-N 415.221 2.362 5 40 HEBB Cc1c(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C 3462760 XEMLDWFFOFAQCA-UHFFFAOYSA-N 423.429 2.151 5 40 HEBB O=C(COC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)Nc1ccc(F)c([N+](=O)[O-])c1 32922214 MOYYSKNPIVXHGR-ZDUSSCGKSA-N 422.413 2.143 5 40 HEBB COc1ccc(-c2nc(CN3CCN(C(=O)[C@@H]4C[C@@H]4[N+](=O)[O-])CC3)cs2)cc1 40115506 XJQKLSQTYIJUSU-SJORKVTESA-N 402.476 2.128 5 40 HEBB COc1cccc(-n2ccc3nc4ccn(-c5nc(C)n[nH]5)c(=O)c4cc3c2=O)c1 40398592 HZKARIZXRWWBPV-UHFFFAOYSA-N 400.398 2.125 5 40 HEBB O=C(O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225041100 CSYOGFFDUGDSOD-UHFFFAOYSA-N 415.767 2.436 5 40 HEBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1cccc([N+](=O)[O-])c1 408637217 HQGQEGNFZUFYEQ-CYBMUJFWSA-N 413.342 2.282 5 40 HEBB COc1ccc([N+](=O)[O-])cc1N1C(=S)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]21 12421647 UQOVSKOAXRVIDU-HZPDHXFCSA-N 419.484 2.381 5 40 HEBB O=C(CCN1CCOC1=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 55110864 PTGFZLMCAPKBMN-UHFFFAOYSA-N 416.356 2.105 5 40 HEBB COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 9658934 FUGWWSZPIVUUEC-UHFFFAOYSA-N 416.390 2.239 5 40 HEBB O=C(NC(=S)NNc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17082182 VGZRNJMJXUSZGT-UHFFFAOYSA-N 401.448 2.063 5 40 HEBB CN(Cc1cccs1)C(=O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 8646663 YTZDZXZKEHGZFP-SFHVURJKSA-N 402.432 2.082 5 40 HEBB O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 15906054 JVUOXXNQZWNLDX-IOASZLSFSA-N 410.308 2.094 5 40 HEBB C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCOCC1 23181865 OPCAHCFFZFPZLQ-GUYCJALGSA-N 411.505 2.397 5 40 HEBB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 34924589 JWEMRJPDJWWPNW-QGZVFWFLSA-N 423.389 2.223 5 40 HEBB CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 69483925 HSFLMHYMGNVYGA-INIZCTEOSA-N 403.464 2.164 5 40 HEBB COC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccc(OC)cc2)c1=N 100911758 YRQHZEQVIXHRJB-UHFFFAOYSA-N 404.426 2.281 5 40 HEBB CC(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 1757109 MGQTZMINWGBHIB-LZYBPNLTSA-N 412.354 2.227 5 40 HEBB O=C(COC(=O)/C=C/c1ccccc1[N+](=O)[O-])NCCc1ccc2c(c1)OCCO2 11148819 IZUXWWVTLRLNCJ-SOFGYWHQSA-N 412.398 2.281 5 40 HEBB COc1cc(OC)cc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 89424046 LFJMCXNELMGTAG-UHFFFAOYSA-N 424.431 2.425 5 40 HEBB CCS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 408703697 XCOSVCJBKJPSLQ-UHFFFAOYSA-N 407.404 2.118 5 40 HEBB COc1cccc(-c2nc(Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)cs2)c1OC 31811585 RJFMQXHEMAAKHW-UHFFFAOYSA-N 416.415 2.044 5 40 HEBB Cn1cnnc1-c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 58146106 XTSLPNVJBGMZLB-UHFFFAOYSA-N 408.422 2.139 5 40 HEBB COC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225009020 SZPVQKFIRYVCMN-UHFFFAOYSA-N 422.415 2.058 5 40 HEBB COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 409138455 CBBMZCGIVZWTSI-UHFFFAOYSA-N 409.420 2.017 5 40 HEBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1ccc(N2CCOCC2)cc1 6533680 RPTHKUNWNOZKPK-ZDUSSCGKSA-N 414.418 2.198 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCn1c(C)csc1=O 14245247 DWWAUFJKLOSPRZ-LLVKDONJSA-N 409.420 2.096 5 40 HEBB COC(=O)c1ccc(N2CCN(C(=S)NCc3ccco3)CC2)c([N+](=O)[O-])c1 8855478 QAFASEOWQYDJAC-UHFFFAOYSA-N 404.448 2.171 5 40 HEBB O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 8916197 CWKNEECPHOGKAI-OAHLLOKOSA-N 422.434 2.329 5 40 HEBB CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 95461112 RHCUJCXROSPYTK-GFCCVEGCSA-N 401.510 2.249 5 40 HEBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCN(C)CC1 216856359 PBHOHJARTOTXNH-UHFFFAOYSA-N 418.475 2.092 5 40 HEBB CCOC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225032779 MWXIZRZAZWQOQA-UHFFFAOYSA-N 422.415 2.124 5 40 HEBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c([N+](=O)[O-])cc1OC 408553506 ZPIGADWGPNNZRT-OVCLIPMQSA-N 421.431 2.271 5 40 HEBB Cc1cc(OC(=O)c2ccccc2I)c([N+](=O)[O-])c(=O)[nH]1 4248366 SVPHOWHIOZSXCZ-UHFFFAOYSA-N 400.128 2.415 5 40 HEBB Cn1ccnc1[C@@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 12581725 LDRXVLBSIVDRPN-INIZCTEOSA-N 405.411 2.316 5 40 HEBB C[C@H]1CN(CC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c([N+](=O)[O-])c2)C[C@@H](C)O1 13102185 OVKBQVHTBUJAAS-GEEKYZPCSA-N 406.483 2.256 5 40 HEBB CC1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H]3C(=O)N(C)C)c([N+](=O)[O-])c2)CC1 24717619 VRSGLPHUDGLTBQ-QGZVFWFLSA-N 424.523 2.072 5 40 HEBB COc1cccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@H]32)c1 7718528 GNJYLGZWPQCFLP-DLBZAZTESA-N 403.416 2.216 5 40 HEBB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)Oc2ccccc21 13677710 YYXHZTAPANSACW-KRWDZBQOSA-N 405.432 2.459 5 40 HEBB COc1ccc(-c2noc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)n2)cc1 32904589 KNOPPLLTHWLGAA-UHFFFAOYSA-N 413.390 2.204 5 40 HEBB O=C(Nc1cccc([N+](=O)[O-])c1)c1c[nH]c(=O)n(-c2ccc(F)c(Cl)c2)c1=O 4033840 JELCYDSJCPFQJK-UHFFFAOYSA-N 404.741 2.479 5 40 HEBB COc1ccc(-c2nc3s/c(=C/c4ccccc4[N+](=O)[O-])c(=O)n3n2)cc1OC 6092543 NRKOFMZECQEVIT-MHWRWJLKSA-N 410.411 2.291 5 40 HEBB C[C@@H](OC(=O)C1=COCCO1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 11444761 DEJXYNQDAYXTKQ-SNVBAGLBSA-N 405.388 2.477 5 40 HEBB CS(=O)(=O)c1ccc(N2CCC(c3nnc4ccccn34)CC2)c([N+](=O)[O-])c1 18060908 PPOAOYRKAWUHJR-UHFFFAOYSA-N 401.448 2.425 5 40 HEBB COc1ccc(CNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222361159 RXAQQCXOJIJFGL-UHFFFAOYSA-N 421.475 2.466 5 40 HEBB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 9095319 SVLNFHHRGJEUGF-UHFFFAOYSA-N 404.404 2.474 5 40 HEBB COc1ccc(OC)c(Nc2nc(N3C[C@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])c1 13748905 KXZGQNQAXAOTKT-PHIMTYICSA-N 404.427 2.341 5 40 HEBB CC(=O)c1ccc(N2CCN(C(=O)Cn3nc(C)c([N+](=O)[O-])c3C)CC2)c(F)c1 24217701 ZVNVDMOODNZFSZ-UHFFFAOYSA-N 403.414 2.099 5 40 HEBB CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@H](C3OCCO3)C2)c([N+](=O)[O-])c1 60362989 GULSPCLKDAXMOV-AWEZNQCLSA-N 413.496 2.215 5 40 HEBB CS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1ccc([N+](=O)[O-])cc1 96519961 PHECXICVONBCAI-BDAKNGLRSA-N 405.597 2.000 5 40 HEBB CS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1ccc([N+](=O)[O-])cc1 96519965 PHECXICVONBCAI-IUCAKERBSA-N 405.597 2.000 5 40 HEBB O=C(Oc1cccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 107719647 ANKFUZUJDLCJCP-RUDMXATFSA-N 424.325 2.269 5 40 HEBB CC[C@H](C(=O)NCc1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222518632 LXXWOXFTNDWSKE-GOSISDBHSA-N 421.475 2.464 5 40 HEBB O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1nc2ccccc2s1 3332036 GCNCFLNUBXHIQK-UHFFFAOYSA-N 414.399 2.116 5 40 HEBB aggregator CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] 10707507 KFSVITKOHLJRCT-UHFFFAOYSA-N 405.476 2.282 5 40 HEBB C[C@H](NC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1 4839507 LGSSUIJBORFODF-HNNXBMFYSA-N 413.430 2.466 5 40 HEBB CCC1([N+](=O)[O-])COP(=O)(OP2(=O)OCC(CC)([N+](=O)[O-])CO2)OC1 4991717 VQLCTQLLBUFIRV-UHFFFAOYSA-N 404.205 2.164 5 40 HEBB CCn1cnnc1C1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 89310071 CCSCFUMHFIRVFW-UHFFFAOYSA-N 402.455 2.423 5 40 HEBB CC(C)(C)[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1 95432591 RUZLSVFKMWGNPE-GFCCVEGCSA-N 421.439 2.366 5 40 HEBB CC[C@@H](C(=O)N[C@H](C)C(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 260913118 ZVYOXKPPGIFBER-OCCSQVGLSA-N 401.485 2.309 5 40 HEBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)cc1 10213429 UZMXWROJINQMDT-UHFFFAOYSA-N 411.461 2.326 5 40 HEBB CCc1ccc(-c2nnn(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 18614068 MJLWLMZPNXMCNU-UHFFFAOYSA-N 421.461 2.160 5 40 HEBB CCN(C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)[C@H]1CCS(=O)(=O)C1 9613107 NBYVHJCSPNGETH-NSHDSACASA-N 415.518 2.332 5 40 HEBB Nc1nc(N2CCN(Cc3ccccc3)CC2)nc(NCc2ccco2)c1[N+](=O)[O-] 20229863 OOTGNSZYZSBPBO-UHFFFAOYSA-N 409.450 2.494 5 40 HEBB CC(C)[C@@H](Nc1nc(N[C@@H](Cc2ccc(O)cc2)C(=O)O)ccc1[N+](=O)[O-])C(=O)O 4106681 HQDRVMYJPUDNJF-XJKSGUPXSA-N 418.406 2.324 5 40 HEBB O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 4318659 DGFMRDXOIQTZRB-CQSZACIVSA-N 410.473 2.251 5 40 HEBB O=C(COC(=O)CNC(=O)c1cccc(F)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 7564337 DFZSYBKZKGMTEL-UHFFFAOYSA-N 409.757 2.299 5 40 HEBB COc1cc(C(=O)OCCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])cc1OC 24727896 FHASROLAMQFMFJ-UHFFFAOYSA-N 414.370 2.455 5 40 HEBB CS(=O)(=O)C(Br)(Br)C(=O)c1ccc([N+](=O)[O-])cc1 96518464 XZTILVWJQCOIRL-UHFFFAOYSA-N 401.032 2.266 5 40 HEBB COc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1 100970173 TWAZCJIWLNONJM-IBGZPJMESA-N 410.430 2.058 5 40 HEBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(OC)c1OC 408564478 DERYXWKAQNFNFA-DRWCTHJISA-N 413.430 2.234 5 40 HEBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)C(F)F)cc1 12876194 DQZHVNWLECSXPZ-CQSZACIVSA-N 400.359 2.055 5 40 HEBB Cc1ccc(C(=O)N(C)Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1[N+](=O)[O-] 24068290 DBVQSCJPQBIGNC-MRXNPFEDSA-N 420.491 2.348 5 40 HEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1SC[C@H](O)c1ccccc1 58046497 NOZSRMROSUHAHN-KRWDZBQOSA-N 424.500 2.441 5 40 HEBB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 3332803 RDGBNZIIKYUMMG-INIZCTEOSA-N 407.354 2.263 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O 10334500 YJOMCYLWEJJTKF-UHFFFAOYSA-N 403.526 2.317 5 40 HEBB C[C@@H](CN1CCCCC1)NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619153 JYFYJKPFVULVCD-AWEZNQCLSA-N 409.450 2.304 5 40 HEBB COc1cccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]23)c1OC 102890016 HFKWXGCJPXGDAT-CRAIPNDOSA-N 411.370 2.213 5 40 HEBB CCOc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccco1 108983097 QXMFEBLZPIXTEZ-FNORWQNLSA-N 413.342 2.353 5 40 HEBB CCOC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225080680 XBZXXIVLGJQTOX-UHFFFAOYSA-N 422.415 2.390 5 40 HEBB O=c1/c(=C\c2ccccc2[N+](=O)[O-])sc2nc([C@@H]3COc4ccccc4O3)nn12 1128592 DTFDUCAYCHDZSA-WNLSXJKCSA-N 408.395 2.119 5 40 HEBB NC(=O)c1ccc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1807639 OQNUDMNJXICFAP-UHFFFAOYSA-N 424.413 2.489 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 3517546 UUESJBPDUUVQPS-JXMROGBWSA-N 415.471 2.450 5 40 HEBB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)c(C)c1C 8337991 XDWZNNFXOCGEFY-UHFFFAOYSA-N 421.523 2.381 5 40 HEBB CCNC(=O)c1cccc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 15023557 NWMHMQXRPGFEMT-UHFFFAOYSA-N 402.432 2.174 5 40 HEBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O 8645810 LQPCHHKQBQPWEH-KRWDZBQOSA-N 403.782 2.049 5 40 HEBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(c2nncn2C(C)C)CC1 95461599 YXGRICIWYNDORT-UHFFFAOYSA-N 409.468 2.344 5 40 HEBB CC[C@@H](C(=O)NCCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222513042 YCEFXDRDJMRKIQ-SFHVURJKSA-N 405.476 2.498 5 40 HEBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)cc1 224864290 PLJPWYQSJJMOFN-UHFFFAOYSA-N 424.431 2.370 5 40 HEBB CCOc1ccc(NC(=O)c2nc(S(=O)(=O)CC)ncc2Cl)c([N+](=O)[O-])c1 8868098 WORYASGELNKPKM-UHFFFAOYSA-N 414.827 2.483 5 40 HEBB CS(=O)(=O)c1ccc(N2CCC[C@@H](c3nnc4ccccn34)C2)c([N+](=O)[O-])c1 18175030 SFUOGEZIRYLLIC-CYBMUJFWSA-N 401.448 2.425 5 40 HEBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224899952 LWXPLDRJAQUXGG-UHFFFAOYSA-N 421.431 2.230 5 40 HEBB COc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)cc1Cl 9124851 GYCSPNCNFBBHBH-UHFFFAOYSA-N 423.809 2.457 5 40 HEBB COC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc([N+](=O)[O-])c1 15197307 VZSZSEZSNKVVIZ-NSHDSACASA-N 406.416 2.276 5 40 HEBB C[C@H](CN1CCCCC1)NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619154 JYFYJKPFVULVCD-CQSZACIVSA-N 409.450 2.304 5 40 HEBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cn2cccnc2=O)c1 47732414 JRTKMRUQDXSPNM-SFHVURJKSA-N 409.402 2.055 5 40 HEBB O=C(O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2cc(Cl)ccc2O1 6183028 IZOYMKYDTFRNHP-HNNXBMFYSA-N 412.807 2.430 5 40 HEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1nc2ccccc2o1 9882217 NGNGTLHESDWKQO-UHFFFAOYSA-N 419.415 2.336 5 40 HEBB Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 12995845 MXQAYSZUVOFKQS-INIZCTEOSA-N 413.459 2.300 5 40 HEBB CCOc1ccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] 96004674 UBDYHTCJZFFADA-CYBMUJFWSA-N 423.466 2.302 5 40 HEBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 19889709 HEADGUDPPJYTOE-UHFFFAOYSA-N 406.420 2.010 5 40 HEBB O=C(N[C@@H](Cn1cncn1)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 58315563 VCSIOORXTOYNNP-SFHVURJKSA-N 422.445 2.194 5 40 HEBB Cc1ccc(S(=O)(=O)CCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4686857 JZJDNRSLJALEQO-UHFFFAOYSA-N 417.487 2.416 5 40 HEBB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220398045 CVTIYPCLDNYGEH-CQSZACIVSA-N 421.475 2.417 5 40 HEBB COc1ccccc1[C@H]1c2c(-c3cccc([N+](=O)[O-])c3)nnc(O)c2Nc2nnnn21 10296489 LBMSIAWSMQTOGF-KRWDZBQOSA-N 418.373 2.447 5 40 HEBB NC(=O)CCN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 32843465 DRWRZQJBMZWQPY-UHFFFAOYSA-N 416.409 2.093 5 40 HEBB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC 33769803 ILHOFPFQAYLTKX-LBPRGKRZSA-N 423.447 2.226 5 40 HEBB CC(=O)c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 7981370 UZVGXUFIMNBIAU-UHFFFAOYSA-N 403.460 2.449 5 40 HEBB Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)s1 408690690 WLBZIUNUBNSJGI-UHFFFAOYSA-N 407.408 2.045 5 40 HEBB O=c1/c(=C\c2ccccc2[N+](=O)[O-])sc2nc([C@H]3COc4ccccc4O3)nn12 1128589 DTFDUCAYCHDZSA-INQNZLQJSA-N 408.395 2.119 5 40 HEBB CCS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc2c(c1)OCO2 14399042 DILWXEHXFWIDIH-UHFFFAOYSA-N 421.431 2.427 5 40 HEBB CC(C)C[C@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 26304347 SMNODYMVXSISTC-HXUWFJFHSA-N 419.526 2.173 5 40 HEBB CS(=O)(=O)N1CCC(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32829241 MCHAJBXGPQRQHC-UHFFFAOYSA-N 412.346 2.358 5 40 HEBB CN(C)CCO[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 83851124 DJNCBEOJASFYST-LLVKDONJSA-N 411.402 2.045 5 40 HEBB Cc1ccc2nc3c(cc(C(=O)NC[C@H]4CCCO4)c(=N)n3C3CCCC3)c(=O)n2c1 100627868 XBJXNBYASPPRTL-MRXNPFEDSA-N 421.501 2.461 5 40 HEBB COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225087792 YUBNZWJAHPDZBX-UHFFFAOYSA-N 423.403 2.488 5 40 HEBB COc1ccc([N+](=O)[O-])cc1/C=C1/NC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 409095923 JAEOYLDGJBYBJD-MHWRWJLKSA-N 410.386 2.443 5 40 HEBB O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](CO)Cc2ccccc2)ccc1Br 97163877 JFGVNASBPPXPMQ-GFCCVEGCSA-N 415.265 2.239 5 40 HEBB Cc1ccc(N2C(=O)C[C@H](NC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)C2=O)cc1 100210023 FGDZZSRTDIWPJZ-SFHVURJKSA-N 409.446 2.189 5 40 HEBB COc1ccc(-c2noc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1OC 223590389 ZMRVXMPHSIQXGP-UHFFFAOYSA-N 420.403 2.141 5 40 HEBB NC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCCC2 9582485 HVHUAAYCTDNBFJ-UHFFFAOYSA-N 409.445 2.491 5 40 HEBB COc1ccccc1Cn1ccc2nc3ccn(-c4nc(C)n[nH]4)c(=O)c3cc2c1=O 40372879 AUHSAUXMIWXPHT-UHFFFAOYSA-N 414.425 2.184 5 40 HEBB O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 2357183 BQXPFIGUQQOBMF-UHFFFAOYSA-N 409.851 2.395 5 40 HEBB COCCn1c(-c2cccc([N+](=O)[O-])c2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 8685743 VXCRWFCJIOIFRG-UHFFFAOYSA-N 421.413 2.156 5 40 HEBB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C 9509383 MLRDMGLTAXLMDW-UHFFFAOYSA-N 422.463 2.172 5 40 HEBB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cnc32)cc1 10251502 CMFZSEIXXYWANP-UHFFFAOYSA-N 404.386 2.491 5 40 HEBB CCCCn1nnc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 17091434 OMIINGUWFFWHOS-UHFFFAOYSA-N 418.483 2.108 5 40 HEBB CC(=O)N1CCC(Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])CC1 32743532 LWJXCAOXZRLNTR-AWEZNQCLSA-N 424.523 2.438 5 40 HEBB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3N3CCCN23)cc1 101664968 HNHULONBMOKPMS-CEXWTWQISA-N 408.414 2.139 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSC1CCCC1)S(C)(=O)=O 225608996 XLUCEBYYJBOHFO-UHFFFAOYSA-N 415.537 2.461 5 40 HEBB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1 13148040 WNHUSYANTRQVLW-UHFFFAOYSA-N 421.431 2.259 5 40 HEBB COc1ccc(CN(C)C(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220398103 CVTIYPCLDNYGEH-AWEZNQCLSA-N 421.475 2.417 5 40 HEBB COCCNC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1C 408602841 JKEMNUOQXZKASI-UHFFFAOYSA-N 407.448 2.389 5 40 HEBB O=C(Nc1ncnc2c1ncn2CCCCO)OCCc1ccc([N+](=O)[O-])cc1 2077973 BCJZEJLZNKEQCA-UHFFFAOYSA-N 400.395 2.298 5 40 HEBB COc1ccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 6405547 DGRKMQNNMSVLLB-DLBZAZTESA-N 403.416 2.216 5 40 HEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O 6932255 QIXSPCGDCCRZJH-CYBMUJFWSA-N 407.448 2.247 5 40 HEBB COCCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc2c(c1=O)SCC2 12140303 OVSNPUAWHGEVKB-UHFFFAOYSA-N 422.488 2.177 5 40 HEBB O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NC(=O)Cc1ccccc1 7784961 SQXXFUNGGGDBQI-UHFFFAOYSA-N 411.414 2.237 5 40 HEBB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1CCc3cc([N+](=O)[O-])ccc31)n2CC 32854012 WHZWQWCECGJZDI-UHFFFAOYSA-N 412.450 2.177 5 40 HEBB O=C(N1CCCCC1)N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 40118773 QAZSJFCXFNJDCE-UHFFFAOYSA-N 400.439 2.368 5 40 HEBB C[C@H]1CN(C(=O)c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc([N+](=O)[O-])c2)C[C@@H](C)O1 12285306 PQXIBZQSJUPPAD-TUVASFSCSA-N 405.451 2.094 5 40 HEBB Cc1ccc(S(=O)(=O)CC(=O)/N=c2/sc3cc([N+](=O)[O-])ccc3n2C)cc1 101036623 XWDKTUUPSKREKS-ISLYRVAYSA-N 405.457 2.358 5 40 HEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccccc1 2494473 NYPBGFDVUKEYGP-CLCOLTQESA-N 402.410 2.104 5 40 HEBB Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 12864257 PMFSNFVYGAGISF-UHFFFAOYSA-N 406.416 2.477 5 40 HEBB COc1ccc(Cn2ccc3nc4ccn(CCN(C)C)c(=O)c4cc3c2=O)cc1 40398793 LOFPMHRKQKYGFV-UHFFFAOYSA-N 404.470 2.330 5 40 HEBB COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@@H]23)c(OC)c1 104046698 CRTQVYUERQDKLA-FUHWJXTLSA-N 411.370 2.213 5 40 HEBB COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c(OC)c1 220024583 OBFKVGYQVYRRKP-UHFFFAOYSA-N 423.447 2.325 5 40 HEBB Cc1ccc(NC(=O)COC(=O)/C(=C/c2ccccc2)n2nnnc2C)c([N+](=O)[O-])c1 9544466 SEHPMPBGSBYCIT-WQRHYEAKSA-N 422.401 2.378 5 40 HEBB COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3N3CCCN23)cc1 19169609 LFJYIJPHPSWGEJ-QYZOEREBSA-N 408.414 2.139 5 40 HEBB CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N(C)C1=S 4624652 BPKPJHLOCGKLCP-BEFAXECRSA-N 402.476 2.102 5 40 HEBB O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2ncnc3c2cnn3-c2ccccc2)cc1 9513349 PKEUIIZCHBNXIO-ZWKOTPCHSA-N 406.402 2.230 5 40 HEBB COc1ccc(CCNC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 12812938 PVRBNPYTHIQQDP-UHFFFAOYSA-N 408.414 2.430 5 40 HEBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 23018460 VLVIIHPCWGDAIB-ZBFHGGJFSA-N 403.460 2.358 5 40 HEBB CCN1CCN([C@@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(C)nn3c2O)CC1 23157627 OFYZKRCPKARWKX-HNNXBMFYSA-N 402.480 2.440 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224784733 OYMHXEGESFIWSI-UHFFFAOYSA-N 409.376 2.400 5 40 HEBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCN(CC2(O)CCCCC2)CC1 95454424 PPOBEQFXYUUISV-UHFFFAOYSA-N 411.524 2.341 5 40 HEBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1ccc(Cl)s1 2621935 WIIKLSQZQMBRSR-UHFFFAOYSA-N 408.775 2.332 5 40 HEBB O=C(NCCCNC(=O)c1cccs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 7466456 DWSPEPFCDIHQGQ-UHFFFAOYSA-N 418.475 2.043 5 40 HEBB COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N3)cc1 20720914 UUDWAEJAXOJMDO-OAHLLOKOSA-N 408.374 2.384 5 40 HEBB O=C(NOCc1ccccc1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 29009362 DOXCCIXKKVHDMF-GOSISDBHSA-N 419.459 2.386 5 40 HEBB CCCNC(=O)CN1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 57681899 UVQSFYCHCFNSGL-UHFFFAOYSA-N 410.474 2.474 5 40 HEBB Cc1c(N(CC(=O)NCCSC2CCCC2)S(C)(=O)=O)cccc1[N+](=O)[O-] 225600434 VZTWBVDZNUSSGU-UHFFFAOYSA-N 415.537 2.461 5 40 HEBB COC(=O)c1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc2c1CCN(C)C2 408613316 WGVQKNSPNJPPQE-UHFFFAOYSA-N 411.461 2.232 5 40 HEBB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 8433889 OUKXEGBCEJWNLJ-ZDUSSCGKSA-N 413.386 2.138 5 40 HEBB COc1cccc(-c2cc(C(F)(F)F)nc(-n3cc([N+](=O)[O-])c(C(N)=O)n3)n2)c1 4176415 MMLODNHBWSDJFG-UHFFFAOYSA-N 408.296 2.364 5 40 HEBB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 224819245 CCAPPKMICVJXCZ-UHFFFAOYSA-N 421.475 2.336 5 40 HEBB O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 408662557 JXRFZHZECITJCI-UHFFFAOYSA-N 416.346 2.404 5 40 HEBB O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 27156207 KJVCVNPQGYGLHN-UHFFFAOYSA-N 412.446 2.389 5 40 HEBB CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3ccccc3F)c([N+](=O)[O-])c2)CC1 34858754 YNPVGJYQQKKSCI-UHFFFAOYSA-N 422.482 2.306 5 40 HEBB O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 25265104 JVOMTEBYJWXFQC-UHFFFAOYSA-N 416.865 2.322 5 40 HEBB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 27029463 XELGLGOROBXBEN-UHFFFAOYSA-N 418.475 2.148 5 40 HEBB COc1ccccc1CNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222361089 YYWXDFQZDWUPGD-UHFFFAOYSA-N 421.475 2.466 5 40 HEBB Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)cc1[N+](=O)[O-] 12791307 OLFOWMJDUKCJEH-UHFFFAOYSA-N 405.476 2.214 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(CN2CCOCC2)cc1 22374413 CQAMGTCUYSGLMU-UHFFFAOYSA-N 405.476 2.214 5 40 HEBB COCc1n[nH]c(-n2ccc3nc4ccn(-c5cccc(C)c5)c(=O)c4cc3c2=O)n1 40398966 HOIKNXKHEPTCRX-UHFFFAOYSA-N 414.425 2.263 5 40 HEBB COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3N3CCCN23)cc1 102684700 LFJYIJPHPSWGEJ-CEXWTWQISA-N 408.414 2.139 5 40 HEBB CC(C)N(CCNS(=O)(=O)c1ccc(NCc2cc[nH]n2)c([N+](=O)[O-])c1)C(C)C 32927046 VPIFCUBSPIGYQX-UHFFFAOYSA-N 424.527 2.327 5 40 HEBB CCOC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225003671 HKNQIPWEQNGPTN-UHFFFAOYSA-N 408.388 2.082 5 40 HEBB Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])c(C)c1 28195809 QGATXUKQGZFQMF-UHFFFAOYSA-N 413.477 2.263 5 40 HEBB O=C(NOCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 29009358 DOXCCIXKKVHDMF-SFHVURJKSA-N 419.459 2.386 5 40 HEBB COc1ccccc1CNC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220384053 ALXRWXLZNNEVJO-CQSZACIVSA-N 421.475 2.383 5 40 HEBB O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(F)cc1[N+](=O)[O-] 7738275 FXMDXSKTFNPOHY-UHFFFAOYSA-N 414.349 2.085 5 40 HEBB O=C(c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)N1N=C(C(F)F)C[C@@]1(O)C(F)F 8455647 AQRKSBZZGMZPCJ-MRXNPFEDSA-N 415.303 2.260 5 40 HEBB CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nnc(C)c(O)n1 12642958 JGUSUQOMORQZDN-UHFFFAOYSA-N 409.424 2.322 5 40 HEBB CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c1O 205857009 PTYXHPWCAVMRCI-RIYZIHGNSA-N 421.431 2.358 5 40 HEBB O=C(c1cc(O)nc2ccccc12)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 524731393 VTGWSACISDENLD-QWHCGFSZSA-N 406.398 2.270 5 40 HEBB biogenic CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1cccc(Br)c1 19320415 RUFKIHWOTUJKGW-UHFFFAOYSA-N 411.256 2.150 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(CN2CCOCC2)c1 47266684 AKYMPYOQXYGIHT-UHFFFAOYSA-N 405.476 2.214 5 40 HEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CC(n2ccnc2)C1 79102839 UWBWQUJXWJKMTB-UHFFFAOYSA-N 405.480 2.417 5 40 HEBB CCOCCCn1c(=N)c(C(=O)N2CCCCC2)cc2c(=O)n3cccc(C)c3nc21 100628078 UXOJITZAGHYRCW-UHFFFAOYSA-N 423.517 2.490 5 40 HEBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4O[C@H]([C@H]5ON=C(c6ccc([N+](=O)[O-])cc6)[C@H]54)[C@@H]3C2=O)cc1 101291842 YNTRSSRUMSYCTL-MCHXDPIISA-N 419.393 2.209 5 40 HEBB CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4505361 UPCNDLZXLAAUCK-NSHDSACASA-N 410.901 2.082 5 40 HEBB CC1(C)O[C@@H]2O[C@@H](COC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4855106 IKRMVZVASOBSSJ-GHYKFQNRSA-N 409.391 2.148 5 40 HEBB CNc1ccc(S(=O)(=O)NCC(=O)OC/C=C/c2ccccc2)cc1[N+](=O)[O-] 5279745 BXSAWQVGBJISPO-VMPITWQZSA-N 405.432 2.171 5 40 HEBB CCN(CC)S(=O)(=O)c1ccc(NC[C@H](CO)Cc2ccco2)c([N+](=O)[O-])c1 24205826 OXMQUOXEFVUGJC-CQSZACIVSA-N 411.480 2.481 5 40 HEBB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 71980340 LZEXOQOEIGDXBX-OAHLLOKOSA-N 411.842 2.376 5 40 HEBB Cc1ccc(C(=O)COC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1[N+](=O)[O-] 5040810 ZFFCTWUSUQEVTQ-RBZFPXEDSA-N 417.418 2.130 5 40 HEBB C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2)CC1 32440595 ZNQAJRVGOQCYOJ-MRXNPFEDSA-N 404.492 2.084 5 40 HEBB COC(=O)c1cn([C@H]2CCCC[C@@H]2NC(=O)CCNc2ccccc2[N+](=O)[O-])nn1 40152497 FFRUZYFDYVYAKP-HOCLYGCPSA-N 416.438 2.075 5 40 HEBB Cc1nc([N+](=O)[O-])cn1C[C@H](O)Cn1c(C)nc(Br)c1Br 8651731 HJCRSYPTHYPQCW-QMMMGPOBSA-N 423.065 2.191 5 40 HEBB Cn1c(=O)c2c(-c3ccc(F)cc3)n(-c3cc([N+](=O)[O-])ccc3N)cc2n(C)c1=O 12324251 JARLXDFXSDNDIE-UHFFFAOYSA-N 409.377 2.324 5 40 HEBB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(O)c([N+](=O)[O-])c1 34924588 JWEMRJPDJWWPNW-KRWDZBQOSA-N 423.389 2.223 5 40 HEBB CCOC(=O)C1=NN(c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 100070646 IJHLTWABXCIDLM-AEFFLSMTSA-N 422.397 2.201 5 40 HEBB COC(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 220025241 YBLGTYNCKGLCII-UHFFFAOYSA-N 421.431 2.095 5 40 HEBB CC1CCC(NC(=O)COC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 12870503 JLEYUVDSHOAGAL-UHFFFAOYSA-N 409.464 2.024 5 40 HEBB CCOc1ccc(CNc2c([N+](=O)[O-])nn(-c3ccc(OC)cc3)[n+]2[O-])cc1OC 16692853 YHMNXXMTFKIMCZ-UHFFFAOYSA-N 415.406 2.442 5 40 HEBB COc1ccc(CNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220384262 GRHNJANWWIPAFY-AWEZNQCLSA-N 421.475 2.383 5 40 HEBB CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1cc(OC)c(O)c([N+](=O)[O-])c1 35867437 VIGIJDYTRIOOEA-UHFFFAOYSA-N 406.391 2.232 5 40 HEBB COc1cc(COC(=O)c2c(C)c(C)nn(C)c2=O)c([N+](=O)[O-])cc1OC(F)F 40050917 WDAXNVFFFRGGAC-UHFFFAOYSA-N 413.333 2.272 5 40 HEBB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21 103516974 WZBGXKYTPCROJF-AKHDSKFASA-N 405.410 2.430 5 40 HEBB CCOC(=O)c1ccccc1N(CC(=O)OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225000811 MGUAPNRZWSPMQT-UHFFFAOYSA-N 422.415 2.140 5 40 HEBB COc1ccc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 5466960 GRCULDRIWSWOJB-GOSISDBHSA-N 400.387 2.360 5 40 HEBB C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccccc1 8433873 VQFYACFLFDNOII-GDBMZVCRSA-N 411.414 2.368 5 40 HEBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(F)cc1 8433877 WPZRJLZPAFJSDB-LBPRGKRZSA-N 401.350 2.269 5 40 HEBB CC1CCN(S(=O)(=O)c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)CC1 15936388 ZDZGCOLIZXJMDU-UHFFFAOYSA-N 411.465 2.119 5 40 HEBB COC(=O)c1ccccc1NC(=O)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O 16942487 ALYDTKUKJNOJPW-UHFFFAOYSA-N 423.381 2.424 5 40 HEBB CN(CC(=O)Nc1ccc(F)c(F)c1F)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 58160868 HGUQQDUMDNRANG-UHFFFAOYSA-N 422.319 2.136 5 40 HEBB CC(C)(COP(=O)(OCC(C)(C)[N+](=O)[O-])OCC(C)(C)[N+](=O)[O-])[N+](=O)[O-] 104048180 JDBRGIFNOUHGKM-UHFFFAOYSA-N 401.309 2.310 5 40 HEBB COC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 89406800 ZPIVOYXIUDJGRH-UHFFFAOYSA-N 422.415 2.195 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 108981140 PUFMFRRLQMXPGD-ZOBUZTSGSA-N 407.492 2.172 5 40 HEBB Cc1ccnc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 408623195 RFTUXAXKYIONKA-UHFFFAOYSA-N 401.448 2.262 5 40 HEBB Cc1ccccc1C(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 4703619 YNPICTBDGLUJCF-UHFFFAOYSA-N 409.446 2.056 5 40 HEBB COC(=O)[C@]1(C(F)(F)F)N=C2Sc3cc([N+](=O)[O-])ccc3N2C(N(C)C)=N1 12413915 WCVCUPYTTYJIQF-CYBMUJFWSA-N 403.342 2.226 5 40 HEBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)C(=O)N(C)C1CCCCC1 11778411 ZGZYNHNXYNPUPN-KBPBESRZSA-N 405.451 2.436 5 40 HEBB C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 12823253 VULZGFVEYAFKTQ-VXGBXAGGSA-N 411.370 2.150 5 40 HEBB Cc1ccc(N2C[C@@H](C(=O)OCc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2=O)cc1F 26474640 FGTANPVZCLILJK-AWEZNQCLSA-N 415.377 2.238 5 40 HEBB COc1ccccc1CNC(=O)CSc1nc2ccccc2c2nc(=O)c(C)nn12 58046932 JPHFFZKZKKMSND-UHFFFAOYSA-N 421.482 2.363 5 40 HEBB CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4505356 HZSGIVRHWDXNRT-LLVKDONJSA-N 410.901 2.226 5 40 HEBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N(Cc1ccco1)CC(F)(F)F 8883934 BKMXWDBHAKAJHV-UHFFFAOYSA-N 411.292 2.375 5 40 HEBB COc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c([N+](=O)[O-])c1 12660774 RVXXQUAQHFQWKG-NRFANRHFSA-N 424.413 2.326 5 40 HEBB O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc2ncccc12 58161452 IQVPQOVPTAQFDU-UHFFFAOYSA-N 400.416 2.450 5 40 HEBB CS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1cccc([N+](=O)[O-])c1 96519986 PAQOSPNLCDYULN-DTWKUNHWSA-N 405.597 2.000 5 40 HEBB COc1cc2c(cc1OC)[C@@]13CC[N+]4([O-])CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@H]5C[C@H]34 103834024 HHHQMKWPZAYIAE-KSZBOENISA-N 410.470 2.122 5 40 HEBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)CC(C)C)CC2)c([N+](=O)[O-])c1 408575200 SNQOZLGBOTTXFW-UHFFFAOYSA-N 422.507 2.341 5 40 HEBB O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1cccc([N+](=O)[O-])c1 1854739 SYUJIODPZBIRKQ-UHFFFAOYSA-N 411.164 2.106 5 40 HEBB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 13002227 YMGWYPKLLMGFDL-BOPFTXTBSA-N 408.374 2.070 5 40 HEBB Cc1ccc([C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N2CCOCC2)o1 32853487 CDIRGRQWRZDKAB-QGZVFWFLSA-N 409.464 2.385 5 40 HEBB COc1ccccc1CNC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220384109 ALXRWXLZNNEVJO-AWEZNQCLSA-N 421.475 2.383 5 40 HEBB CC[C@H](C(=O)N[C@@H](C)C(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225226735 ZVYOXKPPGIFBER-GXTWGEPZSA-N 401.485 2.309 5 40 HEBB O=C(COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1)NCc1ccco1 408605275 LMHNLAGGDPZOBW-VMPITWQZSA-N 412.358 2.255 5 40 HEBB CC1(C)C(=O)Nc2ccccc2N1C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 4515848 JCJAWJKUQZJYRT-UHFFFAOYSA-N 407.386 2.069 5 40 HEBB O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCCO3)c(S(=O)(=O)N2CCOCC2)c1 12644739 JFQVUXCWIGMOCG-UHFFFAOYSA-N 421.431 2.131 5 40 HEBB C[C@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc([N+](=O)[O-])c2)C[C@@H](C)O1 17720916 PQXIBZQSJUPPAD-NMWPEEMBSA-N 405.451 2.094 5 40 HEBB Cn1nc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2c1=O 3322470 CQLGYNYSQNOATE-UHFFFAOYSA-N 416.777 2.291 5 40 HEBB CC[C@H](C(=O)N[C@H](C)C(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 260913122 ZVYOXKPPGIFBER-TZMCWYRMSA-N 401.485 2.309 5 40 HEBB O=C1NC(=S)N(C2CC2)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@@H]12 9109822 KQQUHYXFSPMEEJ-UZLBHIALSA-N 414.487 2.292 5 40 HEBB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccc([N+](=O)[O-])cc4)cnc32)cc1C 10252066 NOQCVMDRCSTEKJ-UHFFFAOYSA-N 404.386 2.491 5 40 HEBB Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 12995843 MXQAYSZUVOFKQS-MRXNPFEDSA-N 413.459 2.300 5 40 HEBB CS(=O)(=O)c1ccc(NCCNC(=O)C(F)(F)c2ccccc2)c([N+](=O)[O-])c1 40115003 NSXZSRVBTRSDCC-UHFFFAOYSA-N 413.402 2.318 5 40 HEBB CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222518559 LXXWOXFTNDWSKE-SFHVURJKSA-N 421.475 2.464 5 40 HEBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 9587537 DVUNMZQHLQLRQM-UHFFFAOYSA-N 424.410 2.399 5 40 HEBB CCN(C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)[C@@H]1CCS(=O)(=O)C1 9613106 NBYVHJCSPNGETH-LLVKDONJSA-N 415.518 2.332 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 9955398 SFFNUHMOFWGIOP-UHFFFAOYSA-N 423.422 2.316 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 10826670 YYRIVLVLQBLCOL-INIZCTEOSA-N 419.459 2.236 5 40 HEBB C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(CC(=O)Nc2ccccc2)CC1 12947418 AORBOUDUFZCIRD-MRXNPFEDSA-N 411.462 2.178 5 40 HEBB CC1(C)O[C@@H]2O[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4855109 IKRMVZVASOBSSJ-IETPZCKNSA-N 409.391 2.148 5 40 HEBB CCOC(=O)C1=C(COC(=O)c2ccc([N+](=O)[O-])cc2)NC(=O)N[C@@H]1c1ccco1 18186832 AAFUZJMAHKHARV-MRXNPFEDSA-N 415.358 2.216 5 40 HEBB C[C@@H]1CCCCN1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 27967901 JOMBHQNRSVRRKW-OAHLLOKOSA-N 419.507 2.384 5 40 HEBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOc2cccc([N+](=O)[O-])c2)C1=O 40116372 GRXXJZWVGGMTFQ-GOSISDBHSA-N 400.347 2.349 5 40 HEBB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 101994167 FGMRIYXBKDSDSE-MSQSPTIYSA-N 420.425 2.176 5 40 HEBB Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCC(=O)N(C)C 223248433 QRTORVUMISNPOB-UHFFFAOYSA-N 407.448 2.479 5 40 HEBB CCS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc2c(c1)OCO2 408703501 SSNQDLICRNGGOU-UHFFFAOYSA-N 421.431 2.427 5 40 HEBB C[C@H]1CN(c2ccc(NC(=O)CN3C[C@@H](C)O[C@H](C)C3)cc2[N+](=O)[O-])C[C@H](C)O1 13102187 OVKBQVHTBUJAAS-WCVJEAGWSA-N 406.483 2.256 5 40 HEBB COCCN1CCC[C@]2(CN(Cc3ccc([N+](=O)[O-])c(O)c3)CC(F)(F)C2)C1=O 306139460 SXWOFAPKHKGEPR-SFHVURJKSA-N 413.421 2.397 5 40 HEBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(OC)c1OC 408564484 DERYXWKAQNFNFA-LPLGYCIKSA-N 413.430 2.234 5 40 HEBB O=c1/c(=C/c2ccc(Cl)cc2)sc2n1CN(c1ccc([N+](=O)[O-])cc1)CN=2 5091891 AIMXRNLNHPTUKS-SXGWCWSVSA-N 400.847 2.355 5 40 HEBB C[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCOCC2)cc1 5709984 WJBMFFPCMYBTQG-CYBMUJFWSA-N 414.418 2.198 5 40 HEBB O=[N+]([O-])c1c(N[C@@H]2CCCN(c3cccc(F)c3)C2)ncnc1N1CCOCC1 1650747309 GYBAXVQOFPLQIC-OAHLLOKOSA-N 402.430 2.441 5 40 HEBB O[C@@H](COC[C@@H]1COc2ccccc2O1)C[N+]1(Cc2ccccc2)CCOCC1 2692825 ABLIITXQHKILBI-NHCUHLMSSA-N 400.495 2.251 5 40 HEBB COc1ccc(CNC(=O)CSc2nc3ccccc3c3nc(=O)c(C)nn23)cc1 58046924 YHWBIGJAVCFEAE-UHFFFAOYSA-N 421.482 2.363 5 40 HEBB O=C(Oc1cccc(N2C(=O)CCC2=O)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408654756 GPSRRRMWQUZYPF-CYBMUJFWSA-N 423.381 2.207 5 40 HEBB CCn1c(COc2ccc(C)nc2[N+](=O)[O-])nc2cc(S(=O)(=O)N(C)C)ccc21 9439121 YHUWKFLGYOJBNR-UHFFFAOYSA-N 419.463 2.497 5 40 HEBB Cc1ccc(C)c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)N(C)C)c1 20244782 YHYCEAFXDYVMCG-UHFFFAOYSA-N 406.464 2.463 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ccc(-n3cccn3)nn2)CC1 62163328 GZWOZYPCKHFOSA-UHFFFAOYSA-N 423.433 2.434 5 40 HEBB O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8165012 UDFQHXUFUWYTEZ-ZHACJKMWSA-N 415.471 2.282 5 40 HEBB O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 24925061 GJSCRMWQTNLYFD-UHFFFAOYSA-N 423.429 2.499 5 40 HEBB CSc1nnc(C)n1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 33386785 DFZVNGFMDIYINQ-UHFFFAOYSA-N 421.508 2.075 5 40 HEBB CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21 9569519 OATVFOUGGXBLSO-UHFFFAOYSA-N 411.461 2.108 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 38856402 BBUPFMZHXCQWTO-KRWDZBQOSA-N 421.431 2.078 5 40 HEBB CCCCn1/c(=N\C(=O)C2CC2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103628152 TWNDJKQBVMXLKV-CLCOLTQESA-N 408.458 2.463 5 40 HEBB O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 216405101 GIWORIZIYKAMIY-MRXNPFEDSA-N 419.459 2.446 5 40 HEBB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1[N+](=O)[O-] 16227688 JJSDQZIUYQKJRE-UHFFFAOYSA-N 420.472 2.379 5 40 HEBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)N[C@H](C)c1ccccc1 22087597 SXGMNXLEFRLGCJ-ZIAGYGMSSA-N 401.419 2.422 5 40 HEBB Cc1c(F)cc(C(=O)N2CCN(Cc3nnc4n3CCCCC4)CC2)cc1[N+](=O)[O-] 58413096 LJRZQEFCLFJGGK-UHFFFAOYSA-N 416.457 2.318 5 40 HEBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN([C@@H]2CCSC2)CC1 79046322 IHTQLVVCLONFBE-QGZVFWFLSA-N 404.536 2.461 5 40 HEBB COc1cc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)ccc1NC(=O)c1cccnc1 58005815 MCFPMGXQXMBLIX-UHFFFAOYSA-N 410.390 2.394 5 40 HEBB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222391396 NUWUDYIYALZZRC-HNNXBMFYSA-N 415.446 2.454 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 224116818 VCPVWSBYRLBWRR-UHFFFAOYSA-N 411.411 2.143 5 40 HEBB COc1c(F)cc(S(=O)(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 1193196310 UKKQKLRFSSIPHR-SNVBAGLBSA-N 421.447 2.276 5 40 HEBB CCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc([N+](=O)[O-])cc3)nc21 10188006 STDCFLLLZZCVAQ-UHFFFAOYSA-N 420.385 2.182 5 40 HEBB Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 12557779 OVKXFSQSAUQLMV-UHFFFAOYSA-N 417.447 2.259 5 40 HEBB CN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 12555183 QJPSVCRYPZASEU-UHFFFAOYSA-N 409.439 2.391 5 40 HEBB O=C(C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1)N1CCCCCC1 25301556 MKVUIXZRHJCJJV-LJQANCHMSA-N 405.495 2.449 5 40 HEBB COC(=O)c1cc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc(C(=O)OC)c1 19933299 ULGJSTURHGTOAF-UHFFFAOYSA-N 408.388 2.110 5 40 HEBB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cn1ncc2ccc([N+](=O)[O-])cc21 26614977 QVNPWVOVPRGLAD-UHFFFAOYSA-N 401.448 2.215 5 40 HEBB CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3ccccc3)c([N+](=O)[O-])c2)CC1 35593249 WBEXMZRIFVVGQP-UHFFFAOYSA-N 404.492 2.167 5 40 HEBB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 6946259 CZQDTHZWFABBMR-UHFFFAOYSA-N 411.370 2.071 5 40 HEBB O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 8867865 JATLITXWKAJKEZ-QGZVFWFLSA-N 422.434 2.329 5 40 HEBB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC 16347375 AQERPCDZSCRNNY-UHFFFAOYSA-N 423.447 2.180 5 40 HEBB CN(Cc1ccccc1F)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 6911132 JTAYTJYNIYEJNM-UHFFFAOYSA-N 409.439 2.391 5 40 HEBB Cc1cccn2cc(CN3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)nc12 13038559 DLXCKPSUTUJTGL-UHFFFAOYSA-N 415.475 2.057 5 40 HEBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)c2cccs2)C1 23018469 VLVIIHPCWGDAIB-HOCLYGCPSA-N 403.460 2.358 5 40 HEBB COC[C@@](C)(CCO)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] 107155574 IHEFLJSVFKVKHE-KBXCAEBGSA-N 415.512 2.215 5 40 HEBB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)O2 38859774 OQUYGVCFMPBDPG-QGZVFWFLSA-N 405.432 2.377 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1csc([N+](=O)[O-])c1 40134530 ZUBWIDBPMLXNNG-UHFFFAOYSA-N 411.461 2.238 5 40 HEBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 6236807 UNOHLDXANUPICD-UHFFFAOYSA-N 409.851 2.395 5 40 HEBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCNC1=NS(=O)(=O)c2ccccc21 12903898 MHGNXQKBOUVMBM-CYBMUJFWSA-N 416.459 2.243 5 40 HEBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N3CCC[C@@H](CO)C3)c([N+](=O)[O-])c2)C1 15210075 GXIQHGJPCNMDLY-OWCLPIDISA-N 411.524 2.470 5 40 HEBB CC(C)(C)OC(=O)N[C@H](Cc1cncn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O 71788047 AHBPKGJUEPOXHK-GFCCVEGCSA-N 421.366 2.209 5 40 HEBB Cc1ccc(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] 9190261 YOOOQCMRYXDUMV-UHFFFAOYSA-N 418.475 2.237 5 40 HEBB C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCN(C)CC1 23181879 LKACAHQFTOBJDC-RDTXWAMCSA-N 424.548 2.312 5 40 HEBB O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O)N1CCOCC1 214292630 PPQMZJAOGDGQDB-ZXPNPXPCSA-N 403.416 2.046 5 40 HEBB O=[N+]([O-])c1c(N[C@H]2CCCN(c3cccc(F)c3)C2)ncnc1N1CCOCC1 1650747308 GYBAXVQOFPLQIC-HNNXBMFYSA-N 402.430 2.441 5 40 HEBB COCCCn1c(C(Cl)(Cl)Cl)nn2c(=O)c3ccccc3nc2c1=O 1872268 MDPCPDDRZXJBET-UHFFFAOYSA-N 403.653 2.268 5 40 HEBB O=C(c1ccco1)N1CCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 7452003 HFACFQPVKGAWGP-UHFFFAOYSA-N 412.446 2.389 5 40 HEBB O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2ncnc3c2cnn3-c2ccccc2)cc1 9513354 PKEUIIZCHBNXIO-MSOLQXFVSA-N 406.402 2.230 5 40 HEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3N=CC=C[C@@H]3[C@@H]2C1=O 103938401 MLVLTNRIXBWLPR-TWMKSMIVSA-N 410.430 2.232 5 40 HEBB CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O[C@@H](C)C(=O)NC1CC1 5231431 OTPFNDIDSBUOAT-BONVTDFDSA-N 411.842 2.213 5 40 HEBB COc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] 9882352 CZBWYNIHAFYRBZ-UHFFFAOYSA-N 409.420 2.115 5 40 HEBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12972194 CBFDPUZHFSFJDM-UHFFFAOYSA-N 421.450 2.200 5 40 HEBB O=C(O)c1nn(-c2ccc([N+](=O)[O-])cc2)nc1N1CCN(Cc2ccccc2)CC1 256047894 PFLWRZKTZQPDPU-UHFFFAOYSA-N 408.418 2.196 5 40 HEBB O=C(NC[C@@H]1CCCO1)[C@@H](Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408679642 GUDXVFWLFZLXMJ-MAUKXSAKSA-N 423.425 2.097 5 40 HEBB O=C(CN1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1 11586616 FDTFJCBCZDYYJG-UHFFFAOYSA-N 412.446 2.193 5 40 HEBB Cc1cc([N+](=O)[O-])c(SC(=S)N(C)[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 12174489 ZYQJDUSFOLYLJK-SECBINFHSA-N 405.479 2.307 5 40 HEBB COc1ccccc1CNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 12562981 WIOFXYWHLZWDKO-UHFFFAOYSA-N 412.446 2.202 5 40 HEBB CN(C(=O)COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 23079920 IEQQLYKGUWSSMX-UHFFFAOYSA-N 409.464 2.120 5 40 HEBB O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1O 84558662 RSQAWWKXXHWFEF-UHFFFAOYSA-N 419.459 2.131 5 40 HEBB COc1ccc(CNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220405624 OLYLAWCCBNYPEA-ZDUSSCGKSA-N 407.448 2.074 5 40 HEBB COc1ccc2c(ccn2CC(=O)N2C[C@@H]3C[C@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c1 524729586 ZMOMVYVQXWCOSC-GOEBONIOSA-N 422.441 2.366 5 40 HEBB biogenic CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 13134320 VCODLDFPBUBQLX-UHFFFAOYSA-N 420.447 2.121 5 40 HEBB CS(=O)(=O)C(Br)(Br)[C@H](O)c1ccc([N+](=O)[O-])cc1 96520811 KOXMMDKYDHGHPF-MRVPVSSYSA-N 403.048 2.116 5 40 HEBB Cc1ccc(C(=O)N[C@H](C(N)=O)P(=O)(OC(C)C)OC(C)C)cc1[N+](=O)[O-] 2283096 DXPGTRATEMAZEP-INIZCTEOSA-N 401.356 2.488 5 40 HEBB COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] 8378072 DIMVTVVJHGJBSX-UHFFFAOYSA-N 419.459 2.399 5 40 HEBB CN(C)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl 9539488 IJVIVZCFDZBESU-UHFFFAOYSA-N 419.868 2.299 5 40 HEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCCc2ccccc21)S(C)(=O)=O 10449592 LSNGLULPAHTABO-UHFFFAOYSA-N 419.459 2.349 5 40 HEBB COCCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 12988347 PTYVECKTVAYLNG-ZDUSSCGKSA-N 408.432 2.438 5 40 HEBB COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccc([N+](=O)[O-])c1 6591370 KJMZYFFMEVWJLW-MRXNPFEDSA-N 405.432 2.435 5 40 HEBB COC(=O)c1cc(CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC 6970595 NWNBQOSPEXHWAC-UHFFFAOYSA-N 404.375 2.337 5 40 HEBB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc([N+](=O)[O-])c1O 106756727 GLNFYPXHLBQTGO-ZROIWOOFSA-N 421.431 2.358 5 40 HEBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(OC)c1OC 408569746 XOJTZZNLDRNVMP-DFJMNXOESA-N 413.430 2.281 5 40 HEBB Cc1nn(Cc2ccc(C(=O)N3N=CC[C@]3(O)C(F)(F)F)o2)c(C)c1[N+](=O)[O-] 6526497 MRKPHNLHQWCPTG-AWEZNQCLSA-N 401.301 2.132 5 40 HEBB O=C(CSc1nc(=O)n(CCCO)c2c1CCCC2)Nc1cccc([N+](=O)[O-])c1 10275723 JZTCRJQBWZKRIS-UHFFFAOYSA-N 418.475 2.144 5 40 HEBB COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1[N+](=O)[O-] 12639881 SERCIWHUQDJXOU-UHFFFAOYSA-N 419.415 2.048 5 40 HEBB O=c1[nH]c(=S)[nH]c(O)c1[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)nc(=S)[nH]c1O 16399818 MLLBIKOBUKZITM-UHFFFAOYSA-N 421.416 2.090 5 40 HEBB CCCCn1c(N)c(N(CC)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)[nH]c1=O 6509463 XMWUINJAUBDHCU-UHFFFAOYSA-N 409.830 2.147 5 40 HEBB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 12871787 GRUFCQFSDVUXCF-TXEJJXNPSA-N 409.464 2.119 5 40 HEBB CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(C)ccc3O)CC2)c([N+](=O)[O-])c1 40155557 GAJDJZYBKJADFG-UHFFFAOYSA-N 419.459 2.322 5 40 HEBB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1C(=O)c3ccccc3C1=N2 649631 AGRTXIWHJHQUKK-HOTGVXAUSA-N 416.393 2.071 5 40 HEBB COc1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1 4318648 LKFBJNPBDKLAFS-OAHLLOKOSA-N 404.444 2.433 5 40 HEBB CN(Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 6911130 DAIGYZAFPBWDRZ-UHFFFAOYSA-N 409.439 2.391 5 40 HEBB COC(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 7130583 SLROPGYEICPNMP-LBPRGKRZSA-N 416.386 2.409 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1[N+](=O)[O-] 15310275 QGAKEYPGQXTZPR-UHFFFAOYSA-N 405.432 2.176 5 40 HEBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)C3CCC3)CC2)c([N+](=O)[O-])c1 18040586 YJRIVLMEMJUGNV-UHFFFAOYSA-N 424.523 2.074 5 40 HEBB CN1CCN(c2ccc(C(=O)Nc3ccc(-n4cccn4)nc3)cc2[N+](=O)[O-])CC1 23073518 GWZCLTMJWIGKLW-UHFFFAOYSA-N 407.434 2.180 5 40 HEBB Cc1c(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cccc1[N+](=O)[O-] 38754399 QSYUZSPMTVAZIY-UHFFFAOYSA-N 410.427 2.294 5 40 HEBB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 20893990 CVDQDLYUUOJAHP-OLZOCXBDSA-N 406.439 2.222 5 40 HEBB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccc([N+](=O)[O-])cc3)C1=O)CC2 22609338 XMKMGKHAWSAYFA-QGZVFWFLSA-N 411.414 2.302 5 40 HEBB Cc1c(Cl)cccc1NC(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 7062424 KMIRIYQLODVLJE-UHFFFAOYSA-N 405.794 2.468 5 40 HEBB CCC(CC)NC(=O)C1CCN(S(=O)(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 8725935 SIUBKKHHXGNLFC-UHFFFAOYSA-N 412.512 2.342 5 40 HEBB C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2cn3ccccc3n2)CC1 32853693 RICAXNLGWWYCNG-INIZCTEOSA-N 408.462 2.387 5 40 HEBB C[C@@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 58161389 KVUSHTIGLURIRB-SNVBAGLBSA-N 412.855 2.012 5 40 HEBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224754673 YVJTVUDVKMKWEG-UHFFFAOYSA-N 409.376 2.261 5 40 HEBB O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 4263343 DITNEJNVBANGNY-XEZPLFJOSA-N 410.308 2.094 5 40 HEBB Cc1c2ccncc2c(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2c3ccccc3n(C)c12 5486946 JRIGURFJUAUMBB-MKWLTTDUSA-N 408.454 2.144 5 40 HEBB Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CNC(=O)c1cccc(Cl)c1 6944187 QEAXUGJZERXRGY-UHFFFAOYSA-N 405.794 2.468 5 40 HEBB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COc1cccc([N+](=O)[O-])c1 16123641 AZCDQZAFTJNYQO-UHFFFAOYSA-N 419.459 2.203 5 40 HEBB C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 4899813 TUBKJDFIMPSKNT-KBPBESRZSA-N 414.418 2.353 5 40 HEBB NS(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])c1 6822702 GRYNPPSTQPFNRO-UHFFFAOYSA-N 404.448 2.097 5 40 HEBB Cc1cc(NC(=O)CSCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)no1 9780810 NBYVNYHAFBQLLU-UHFFFAOYSA-N 423.403 2.173 5 40 HEBB O=C(CCCn1cc([N+](=O)[O-])c(-c2cnn(-c3ccccc3)c2)n1)N1CCOCC1 36620625 ZBGVBPVNUZYGQD-UHFFFAOYSA-N 410.434 2.283 5 40 HEBB COc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC 220233849 IKSNOFNCWYHDBT-GFCCVEGCSA-N 423.447 2.405 5 40 HEBB COC(=O)c1ccc2c(=O)[nH]c3c(C(=O)OC)c4nc5ccccc5nc4n3c2c1 5695460 MYUKRMSEYOJSDJ-UHFFFAOYSA-N 402.366 2.450 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=CC=NN3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O 6923963 QDGKZHNFOUFZDW-SVGFKBNWSA-N 410.430 2.232 5 40 HEBB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8783552 HTSQMYCKRRSSLG-OAHLLOKOSA-N 412.421 2.436 5 40 HEBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20410879 ZJWQGGMRIOZYAT-UHFFFAOYSA-N 402.363 2.357 5 40 HEBB COCCCn1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3cc(C)ccc3nc21 100628031 UUFNGBPDHKCOMG-UHFFFAOYSA-N 409.490 2.146 5 40 HEBB Cc1ccc(C(=O)OCC(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cn1 12510730 ARNHWZXHHBFWTI-UHFFFAOYSA-N 418.837 2.457 5 40 HEBB COc1ccc(-n2nc([N+](=O)[O-])c(NCc3cc(OC)ccc3OC)[n+]2[O-])cc1 16226433 KDQTYBLQQFWKRM-UHFFFAOYSA-N 401.379 2.052 5 40 HEBB CCc1ccc(-c2nnn(CC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1 11294228 BFPUFGUUZRSZCP-UHFFFAOYSA-N 421.461 2.160 5 40 HEBB COC(=O)[C@H](C)[C@H](NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 79012870 GYSGNHFVCYBQSW-PXAZEXFGSA-N 408.432 2.432 5 40 HEBB O=C(NC[C@@H]1CCCO1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 199407954 ZZAQZQNKFVUJIW-DOTOQJQBSA-N 419.821 2.129 5 40 HEBB O=[N+]([O-])c1ccc(OCC(O)COc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 8386976 ZXMFUSPKAIXFLV-UHFFFAOYSA-N 424.278 2.138 5 40 HEBB Cn1ccnc1[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1F 12627320 MCXWWGUHTYDMIO-MRXNPFEDSA-N 405.411 2.316 5 40 HEBB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220409288 RBPHLYHFKUUJJJ-LBPRGKRZSA-N 421.431 2.159 5 40 HEBB CCOCCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 409113630 DZFVIQJAHGHVTH-UHFFFAOYSA-N 421.475 2.333 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 409121405 ZNVALZWWDUCQIS-UHFFFAOYSA-N 423.447 2.325 5 40 HEBB Cc1ccc(NC(=O)COC(=O)/C(=C\c2ccccc2)n2nnnc2C)c([N+](=O)[O-])c1 97664378 SEHPMPBGSBYCIT-WOJGMQOQSA-N 422.401 2.378 5 40 HEBB COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@H]23)c1 101269495 WZUUZSSWXMLOCE-AEFFLSMTSA-N 411.370 2.213 5 40 HEBB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 5658985 CCCJWFHTYRSXFI-UHFFFAOYSA-N 419.459 2.282 5 40 HEBB CCCn1c(Cn2c([N+](=O)[O-])cnc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 48302788 VBANNHMLJFNHMX-UHFFFAOYSA-N 406.468 2.158 5 40 HEBB CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 72289371 UABOAFWLSWLWPI-CYBMUJFWSA-N 424.483 2.146 5 40 HEBB CS(=O)(=O)c1ccc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)c([N+](=O)[O-])c1 15141396 SJKVBQKMSHEHBQ-UHFFFAOYSA-N 417.487 2.255 5 40 HEBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 6205261 HFKBYRYMTUIPCS-UHFFFAOYSA-N 413.496 2.453 5 40 HEBB Cc1ccc(S(=O)(=O)NCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 8768603 LTXIWYZDXXIWOV-UHFFFAOYSA-N 406.445 2.430 5 40 HEBB O=c1cc(CN2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)nc2ccccn12 12527450 GLLBHPJSYUKLQI-UHFFFAOYSA-N 416.441 2.473 5 40 HEBB COc1ccc(COC[C@H](O)Cn2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2=O)cc1 78729274 RPNBODNDAIXVKZ-LJQANCHMSA-N 413.430 2.442 5 40 HEBB CCOC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225023023 KXPDZKRHFGFGOH-UHFFFAOYSA-N 422.415 2.140 5 40 HEBB Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1F 12918817 VKRHTOIYMKUYQZ-KSSFIOAISA-N 401.394 2.245 5 40 HEBB Cc1ccc(C(=O)COC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1[N+](=O)[O-] 5040813 ZFFCTWUSUQEVTQ-ZUOKHONESA-N 417.418 2.130 5 40 HEBB CCNS(=O)(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 9288334 KAAIPKCCQPXNRJ-UHFFFAOYSA-N 409.420 2.163 5 40 HEBB CC(=O)N1CCN(c2ccc(C(=O)NCc3ccc(F)cc3)cc2[N+](=O)[O-])CC1 12633961 XPHMURLDBSGYDR-UHFFFAOYSA-N 400.410 2.332 5 40 HEBB CS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccc(Cl)cc21 22515418 XFZZLARMYYFQPJ-HNNXBMFYSA-N 411.823 2.414 5 40 HEBB COC(=O)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 24937768 UHUHAFFUCCOMSH-UHFFFAOYSA-N 415.402 2.236 5 40 HEBB CN(C)CCCN(CCCN(C)C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 72312212 MJKFCCQMLMDZEA-UHFFFAOYSA-N 416.526 2.269 5 40 HEBB CCOC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224749785 ROMDHUZTATYNBR-UHFFFAOYSA-N 408.388 2.082 5 40 HEBB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)c1 8038810 FZOFTEPSTKTPBU-CYBMUJFWSA-N 413.386 2.138 5 40 HEBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(OC)c1OC 408569747 XOJTZZNLDRNVMP-IOLVHUCKSA-N 413.430 2.281 5 40 HEBB COc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(C)cc2)c(C)cc1[N+](=O)[O-] 5885998 UWHYOVPHZKAECG-UHFFFAOYSA-N 415.402 2.132 5 40 HEBB aggregator CCS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 408705315 BYQRBICBVATCSB-UHFFFAOYSA-N 421.431 2.161 5 40 HEBB COc1c(F)cc(S(=O)(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 1193196308 UKKQKLRFSSIPHR-JTQLQIEISA-N 421.447 2.276 5 40 HEBB O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 4263342 DITNEJNVBANGNY-WWGRRREGSA-N 410.308 2.094 5 40 HEBB O=C1CCCc2nc3nc(N4CCOCC4)[nH]c(=O)c3c(-c3cccc([N+](=O)[O-])c3)c21 20673663 VBRFLRKOJQCUOH-UHFFFAOYSA-N 421.413 2.249 5 40 HEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCCOc1ccccc1 89845797 ZIBXFOHNLSNOTE-UHFFFAOYSA-N 408.432 2.074 5 40 HEBB COCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 9355770 SZGUILVLLSIZKW-UHFFFAOYSA-N 407.448 2.470 5 40 HEBB COc1ccc(C(=O)N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4n3C)CC2)cc1 20519133 UHHGQQVJETYFAJ-UHFFFAOYSA-N 409.446 2.448 5 40 HEBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2C=CC=NN12 230016137 FLBVUNVQDLPVID-HCXYKTFWSA-N 416.393 2.192 5 40 HEBB CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 408598874 CAAYHOYIKWUQFT-UHFFFAOYSA-N 420.495 2.078 5 40 HEBB COc1cccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 4387474 KYJIKTKWAURKAV-SJORKVTESA-N 403.416 2.216 5 40 HEBB COC(=O)C1=C(C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)c2sc(=O)[nH]c2S1 9428425 MSUIXAOPKQHUDR-VIFPVBQESA-N 408.413 2.182 5 40 HEBB CCc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])cc1 32765609 AKSXNXAFHKPSQS-UHFFFAOYSA-N 413.477 2.208 5 40 HEBB COc1ccc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1 35593270 ZISLWECTWWZGOZ-UHFFFAOYSA-N 420.491 2.152 5 40 HEBB COc1ccc(-c2nc(CN3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)cs2)cc1 40115510 XJQKLSQTYIJUSU-IAGOWNOFSA-N 402.476 2.128 5 40 HEBB COc1cccc(-c2noc(CNC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)n2)c1 219829075 VWWWOBQJBSRJTK-UHFFFAOYSA-N 414.374 2.357 5 40 HEBB CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4505357 HZSGIVRHWDXNRT-NSHDSACASA-N 410.901 2.226 5 40 HEBB CCOC(=O)[C@@H]1CC[C@H](C(=O)OCC)N1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17139216 SMYBRYXJNMYXQZ-TXEJJXNPSA-N 413.408 2.469 5 40 HEBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 19889711 DMPOLVZMDPCVLQ-UHFFFAOYSA-N 406.420 2.010 5 40 HEBB O=C(NCCCN1CCCC1=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 36075293 WLQQWDTUXAFSAM-PKOBYXMFSA-N 400.479 2.255 5 40 HEBB CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225023697 SRMLKDFDJUBVCU-UHFFFAOYSA-N 424.431 2.370 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 3556626 OLALFGREOGVBMU-UHFFFAOYSA-N 403.460 2.358 5 40 HEBB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 4981473 BOQNALBMIRWPLB-BEFAXECRSA-N 402.495 2.484 5 40 HEBB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 9507103 NHGOUSWTBCZVAH-UHFFFAOYSA-N 420.447 2.121 5 40 HEBB CCn1ccnc1CN1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 609274964 XUTVLXHPVXBIIC-INIZCTEOSA-N 400.483 2.346 5 40 HEBB C[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)N1CCc2ccccc21 3544911 ANEKJDLSMZDSGT-LBPRGKRZSA-N 418.427 2.133 5 40 HEBB Cc1c(NC(=O)CSc2nnc(N3CCOCC3)n2C2CC2)cccc1[N+](=O)[O-] 11367597 RUVYMRWEHWPXMN-UHFFFAOYSA-N 418.479 2.397 5 40 HEBB CCOC(=O)Cc1csc(NC(=O)c2ccc(N3CCOCC3)cc2[N+](=O)[O-])n1 3210649 KQFVPTBLCWKNLT-UHFFFAOYSA-N 420.447 2.246 5 40 HEBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc([N+](=O)[O-])c3)cc2)C1 25451858 VSOASVVHGUGPHS-OKILXGFUSA-N 421.479 2.097 5 40 HEBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21 229617916 QRAXTPMBZOPHQS-MANSERQUSA-N 405.410 2.430 5 40 HEBB COc1ccc(S(=O)(=O)N[C@H](CC2=C=Nc3ccccc32)C(=O)O)cc1[N+](=O)[O-] 604347288 SFEKVLJHARDQET-OAHLLOKOSA-N 417.399 2.123 5 40 HEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cccc(C)c1 2494477 LNMSXMYWQPSTIS-QQTULTPQSA-N 416.437 2.412 5 40 HEBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CC(=O)N(Cc2ccco2)C1 5203944 AGNXXBNNGKJRHM-LBPRGKRZSA-N 402.359 2.146 5 40 HEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)NCc2ccccc2)c1 8433593 GBYHSPDNOQLNFE-UHFFFAOYSA-N 415.402 2.182 5 40 HEBB CCCCCn1c(-c2ccc([N+](=O)[O-])cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 8625518 WFPLFIZLWQQTJF-UHFFFAOYSA-N 410.434 2.452 5 40 HEBB CN1CCN(n2c3c(c(SCc4ccc([N+](=O)[O-])cc4)nc2=O)CCCC3)CC1 10255221 SYFVPTBCMUIMDO-UHFFFAOYSA-N 415.519 2.206 5 40 HEBB COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)N1CCCC1 15128571 JWEDZLHKDOPZMP-KRWDZBQOSA-N 420.491 2.500 5 40 HEBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CCOc3cccc(F)c3)CC2)c1 29694497 CPRWOGNIZWTERA-UHFFFAOYSA-N 409.439 2.119 5 40 HEBB COc1c(OC(C)=O)ccc(/C=c2\sc3nc4ccccc4n3c2=O)c1[N+](=O)[O-] 408718410 MTTGKPHZNZKVEM-DHDCSXOGSA-N 411.395 2.299 5 40 HEBB CCOc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c([N+](=O)[O-])c1 5869516 GOASMIITLQNJIE-BUXKBTBVSA-N 404.423 2.433 5 40 HEBB C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccccc1 8433872 VQFYACFLFDNOII-GOEBONIOSA-N 411.414 2.368 5 40 HEBB CC[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 13945123 QMPLOEWESAKXRQ-SECBINFHSA-N 406.449 2.379 5 40 HEBB CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@@H](C3OCCO3)C2)c([N+](=O)[O-])c1 60362990 GULSPCLKDAXMOV-CQSZACIVSA-N 413.496 2.215 5 40 HEBB Nc1nc(NCCCN2CCOCC2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] 20329195 SWTMHBFDSGLJKE-UHFFFAOYSA-N 407.862 2.498 5 40 HEBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3cc(-c4ccco4)on3)CC2)cc1 32753311 NDVVFJWEXMMDKQ-UHFFFAOYSA-N 418.431 2.349 5 40 HEBB O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 229655681 PTAAMSSDVVNNBX-KCXPTXFHSA-N 418.409 2.026 5 40 HEBB CC(C)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 16011988 FGMRIYXBKDSDSE-AYMMHLMVSA-N 420.425 2.176 5 40 HEBB NC(=O)[C@@H]1CC(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)=NN1c1ccc(F)cc1 95992849 ZPKBXORRDVPITA-AWEZNQCLSA-N 421.772 2.152 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219436539 BRECTCMSKUOIDC-UHFFFAOYSA-N 419.415 2.167 5 40 HEBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3)CC2)c([N+](=O)[O-])c1 408573161 MKGOASIRTSEWJC-UHFFFAOYSA-N 413.430 2.499 5 40 HEBB CCn1cc(NC(=O)Cn2ncc([N+](=O)[O-])c2C)c(C(=O)NC2CCCCC2)n1 2732481 ZDTBXZCGKYBJJY-UHFFFAOYSA-N 403.443 2.017 5 40 HEBB COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c([N+](=O)[O-])c1 10187041 NQTPRWMQJSUERK-CYBMUJFWSA-N 411.461 2.457 5 40 HEBB CCOC(=O)c1cc(C(=O)N2CSC[C@H]2C(=O)NCCC(C)C)cc([N+](=O)[O-])c1 69530028 YBTKMWHLDRRAEG-INIZCTEOSA-N 423.491 2.449 5 40 HEBB CCOC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225012956 VWEVVZDOVMNYNF-UHFFFAOYSA-N 422.415 2.140 5 40 HEBB COC(=O)c1ccccc1CC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 537164462 DWPRZCNVWJKAPU-UHFFFAOYSA-N 402.403 2.300 5 40 HEBB CCc1nnc(NC(=O)CCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 9245244 XBXGLRXGSJSONB-UHFFFAOYSA-N 418.479 2.076 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 45354817 DQOAAGDOIFKMJC-UHFFFAOYSA-N 418.475 2.092 5 40 HEBB COc1ccccc1CNC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220405403 LCUKEQPEZGSSJG-CYBMUJFWSA-N 407.448 2.074 5 40 HEBB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222482907 QLOYDLRAOBSXKF-HNNXBMFYSA-N 415.446 2.454 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1cccc([N+](=O)[O-])c1 3260158 FSTMXIUXHAMBEM-UHFFFAOYSA-N 420.443 2.281 5 40 HEBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9391860 OBIUECCEKCZPBU-UHFFFAOYSA-N 406.420 2.260 5 40 HEBB C[C@@H]1CN(C(=O)c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc([N+](=O)[O-])c2)C[C@@H](C)O1 101168270 PQXIBZQSJUPPAD-KBUPBQIOSA-N 405.451 2.094 5 40 HEBB COc1ccc(-c2nnc(O)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N3)cc1 10295336 ZVANDYFKHMMBTG-KRWDZBQOSA-N 418.373 2.447 5 40 HEBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 10647184 MCESTBGIYLSFLW-LBPRGKRZSA-N 421.431 2.029 5 40 HEBB COc1cc(CCNC(=O)C[C@H](C)NC(=O)c2ccccc2)c([N+](=O)[O-])cc1OC 16143917 HFKVLFCNUXHWFE-AWEZNQCLSA-N 415.446 2.479 5 40 HEBB C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 42236755 LCAVERBOYSYSMP-CRVDFBCUSA-N 408.458 2.462 5 40 HEBB CCOC(=O)[C@]1(C)CCCN1C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 89978162 IXKCBBWZDMMNEF-SFHVURJKSA-N 419.463 2.432 5 40 HEBB Cc1ccc(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 10110474 RAZFWHHADNMKSA-UHFFFAOYSA-N 405.476 2.418 5 40 HEBB CCS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1ccc([N+](=O)[O-])cc1 96520100 HAOBFEPXMLRSGD-UWVGGRQHSA-N 419.624 2.391 5 40 HEBB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 248379516 NBKPSVBOLWSLHR-MKXGPGLRSA-N 404.382 2.062 5 40 HEBB C[C@H]1CN(CCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 12557644 YFLGQDIYZMCZSF-IRXDYDNUSA-N 404.511 2.427 5 40 HEBB CCOC(=O)c1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225023260 WIKHAAMSEJUWGX-UHFFFAOYSA-N 422.415 2.140 5 40 HEBB O=C(O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O 409149141 XZDVYQLFXHXMKD-KRXBUXKQSA-N 403.166 2.184 5 40 HEBB CCOC(=O)c1sc2ncn3nc(-c4c([N+](=O)[O-])c(C)nn4C)nc3c2c1C 2790815 KDIMACCWECLIFD-UHFFFAOYSA-N 401.408 2.441 5 40 HEBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-] 3537472 ASIFFORSFRBKPX-UHFFFAOYSA-N 418.427 2.135 5 40 HEBB CS(=O)(=O)c1ccc(NCCNC(=O)c2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 7258475 JGJPUNINDMLKKR-UHFFFAOYSA-N 403.460 2.329 5 40 HEBB Cc1c(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cccc1[N+](=O)[O-] 53776623 QJGNGJMGRYMWBB-UHFFFAOYSA-N 408.458 2.250 5 40 HEBB COc1ccc([C@H]2c3c(-c4ccc([N+](=O)[O-])cc4)nnc(O)c3Nc3nnnn32)cc1 10296131 BDVUHDXCKXLURL-KRWDZBQOSA-N 418.373 2.447 5 40 HEBB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)c([N+](=O)[O-])c1 14406108 YVNFVTHMZRDHST-UHFFFAOYSA-N 400.420 2.307 5 40 HEBB O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 30480449 SWARVOBZVUENAM-UHFFFAOYSA-N 413.356 2.034 5 40 HEBB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222912894 OQVBWFJCHXUENL-HNNXBMFYSA-N 415.446 2.188 5 40 HEBB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 7389288 GRBZIHALLNYUPZ-UHFFFAOYSA-N 415.402 2.236 5 40 HEBB O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 7728395 XWPYQYNFKDMVHP-AWEZNQCLSA-N 405.432 2.304 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccccc1CN1CCOCC1 12749521 XEGSWZOKAQISPD-UHFFFAOYSA-N 405.476 2.214 5 40 HEBB CC[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 13945124 QMPLOEWESAKXRQ-VIFPVBQESA-N 406.449 2.379 5 40 HEBB Nc1nc(N2CCCCC2)nc2c1[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 20635672 SBICQWVZVLQTFP-ZDUSSCGKSA-N 411.422 2.022 5 40 HEBB C[C@@H]1CCCCN1C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 4579919 WLFJPTCSVLAJHQ-CQSZACIVSA-N 411.480 2.159 5 40 HEBB O=C(Nc1ccc(-n2cccn2)nc1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 23073549 GNSRODDLDAUDSE-GFCCVEGCSA-N 410.365 2.306 5 40 HEBB C[C@@H]1CCCN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)C1 27967917 CBGULMHTGKQJMO-OAHLLOKOSA-N 419.507 2.242 5 40 HEBB Cc1cc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)ccc1[N+](=O)[O-] 16964289 YNFWZJLPUSVIIX-IBGZPJMESA-N 411.414 2.170 5 40 HEBB C[C@H]1CCCCN1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 27967903 JOMBHQNRSVRRKW-HNNXBMFYSA-N 419.507 2.384 5 40 HEBB COc1ccc(OC)c(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 220024758 JDGNSIYWZDEQBU-UHFFFAOYSA-N 423.447 2.325 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOCc1ccccc1)S(C)(=O)=O 224058512 OFCREEIALANODA-UHFFFAOYSA-N 421.475 2.002 5 40 HEBB Cc1cc(C)cc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 224067948 GGDIAZRXJRGUHM-UHFFFAOYSA-N 421.475 2.173 5 40 HEBB COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccccc1[N+](=O)[O-] 3636598 WWWVAEOOKGLDFK-NHYWBVRUSA-N 405.432 2.433 5 40 HEBB O=C1N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2C12OCCO2 4105292 VBEXKFHLYITIMU-UHFFFAOYSA-N 410.791 2.183 5 40 HEBB COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 7928412 UQYRJUQRUJKXJZ-ZDUSSCGKSA-N 413.386 2.382 5 40 HEBB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 20893987 CVDQDLYUUOJAHP-CHWSQXEVSA-N 406.439 2.222 5 40 HEBB C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1 9339042 SQIPLCUKMVBWBN-CYBMUJFWSA-N 418.475 2.333 5 40 HEBB COc1cccc(-c2nnc(O)c3c2[C@H](c2ccccc2[N+](=O)[O-])n2nnnc2N3)c1 10296855 FZHXJFXGYIYWGD-KRWDZBQOSA-N 418.373 2.447 5 40 HEBB COc1ccc(S(=O)(=O)NCC(=O)OCc2cccc(Cl)c2)c([N+](=O)[O-])c1 16215667 UMYIRQGWIWHHTF-UHFFFAOYSA-N 414.823 2.279 5 40 HEBB COc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1 18250538 TWAZCJIWLNONJM-LJQANCHMSA-N 410.430 2.058 5 40 HEBB COc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1OC 10332780 IXNLZAMBUMJOQD-UHFFFAOYSA-N 423.447 2.325 5 40 HEBB Cc1sc2nc3c4ccccc4c(N4CCN(CCO)CC4)nn3c(=O)c2c1C 19902839 VFOGIKXMEPNCOQ-UHFFFAOYSA-N 409.515 2.189 5 40 HEBB CCCNC(=O)[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 32857647 XBLQVGUHYFCIIR-IBGZPJMESA-N 412.446 2.351 5 40 HEBB CC(C)(CO)NCCC(=O)N1N=C(c2ccccc2)C[C@@H]1C1=CC[C@@H]([N+](=O)[O-])C=C1 95116094 XHESCTDUBGBGFY-AZUAARDMSA-N 412.490 2.274 5 40 HEBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCCN21 229994762 QRAXTPMBZOPHQS-OKYOBFRVSA-N 405.410 2.430 5 40 HEBB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 4739180 HYGCQMMLFZMVQJ-UHFFFAOYSA-N 402.407 2.369 5 40 HEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O 113936896 VDBNPEWJVJWRFA-UHFFFAOYSA-N 415.374 2.286 5 40 HEBB Cc1nc2sc3c(c2c(=O)n1NC(=O)c1nn(C)cc1[N+](=O)[O-])CCCCCC3 2778876 QLVWXRVUXUHOAZ-UHFFFAOYSA-N 416.463 2.451 5 40 HEBB CN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@]32C)C(=O)N(C)C1=S 6671629 CYLSJMZVXPFBDV-SFHVURJKSA-N 402.476 2.102 5 40 HEBB CC(=O)N1c2ccccc2Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc([N+](=O)[O-])c1 9359135 PRVNTGURRZCMPW-SFHVURJKSA-N 422.397 2.240 5 40 HEBB COC(=O)c1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc([N+](=O)[O-])c1 16110802 RVRUGUHJHDYVMD-UHFFFAOYSA-N 413.430 2.490 5 40 HEBB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc([N+](=O)[O-])c1 19009036 FRHIJJOYPFYXCT-UHFFFAOYSA-N 419.459 2.187 5 40 HEBB Cc1ccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1 4850862 UMQWNKFPKRKGDF-HXUWFJFHSA-N 418.519 2.170 5 40 HEBB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2C=CC=NN21 18203971 FLBVUNVQDLPVID-CADBVGFASA-N 416.393 2.192 5 40 HEBB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 226862548 XZDFOJYNEHLZPM-HNNXBMFYSA-N 407.379 2.189 5 40 HEBB CS(=O)(=O)c1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-] 2618298 FQHLMXHNMDYRBH-UHFFFAOYSA-N 403.372 2.405 5 40 HEBB O=C(NC[C@H]1CCCO1)C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 26170463 BFYIZHQIWZNBBV-QGZVFWFLSA-N 415.450 2.152 5 40 HEBB CC(=O)c1ccc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c([N+](=O)[O-])c1 58492914 RRMXZLCGZKCQBA-UHFFFAOYSA-N 407.430 2.356 5 40 HEBB Cc1cccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 408617691 BFGCIQZJVSPIPK-UHFFFAOYSA-N 401.448 2.262 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 47687296 SDFDJUYAJTVPNM-UHFFFAOYSA-N 408.436 2.175 5 40 HEBB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccc([N+](=O)[O-])cc3)C1=O)CC2 102332163 XMKMGKHAWSAYFA-KRWDZBQOSA-N 411.414 2.302 5 40 HEBB Cc1cc(Cl)ccc1NC(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 7061807 QGZXRMHPEDDVEM-UHFFFAOYSA-N 405.794 2.468 5 40 HEBB CCOC(=O)c1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 13647610 AWZDUXIQXBGWLV-UHFFFAOYSA-N 421.431 2.176 5 40 HEBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccc(-c2ccccc2)nn1 10275782 PVQBVSJDTDHVBB-UHFFFAOYSA-N 400.416 2.409 5 40 HEBB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C 16283077 LCHYRXQMDDVGHE-UHFFFAOYSA-N 407.448 2.479 5 40 HEBB COC(=O)c1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)nc1 24938567 CCFSWYNRTDPCRL-UHFFFAOYSA-N 404.810 2.392 5 40 HEBB Cc1c(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cccc1[N+](=O)[O-] 38755237 GAYFSMIJWLQSBS-UHFFFAOYSA-N 419.459 2.318 5 40 HEBB CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@H](c1ccc([N+](=O)[O-])o1)N=2 108216776 VWFPEXZZRNDPBC-XCHKQJEOSA-N 405.432 2.160 5 40 HEBB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 16038995 QRAXTPMBZOPHQS-AKHDSKFASA-N 405.410 2.430 5 40 HEBB O=C(NN1C(=O)S/C(=C\c2ccc(O)cc2O)C1=O)c1ccc([N+](=O)[O-])cc1 408755869 PSSAFXWMLLIUCQ-AUWJEWJLSA-N 401.356 2.387 5 40 HEBB NC(=O)Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 12788282 TUUNVIULLGMSIR-UHFFFAOYSA-N 418.460 2.131 5 40 HEBB C[C@H](OC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccccc1 12943533 CWDFUSRZVVVWHH-RYUDHWBXSA-N 411.370 2.150 5 40 HEBB O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 14109200 DYSOHGCZFRUODE-UHFFFAOYSA-N 410.352 2.124 5 40 HEBB COc1ccc(-c2noc(CNC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)n2)cc1 219829148 SEEVCJGJFIOBRK-UHFFFAOYSA-N 414.374 2.357 5 40 HEBB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O 32124663 QQJFLVDJUPKKHR-JYRVWZFOSA-N 412.445 2.279 5 40 HEBB CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(CCc2ccccc2)c1=N 100627191 JYECOIOQIRSLST-UHFFFAOYSA-N 401.470 2.429 5 40 HEBB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 409075539 RNHVMSGQBDLNRF-MKVLZVNKSA-N 421.431 2.029 5 40 HEBB O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(N2CCCC2=O)cc1 11550797 PVAQJHYAXNTZLC-UHFFFAOYSA-N 413.434 2.176 5 40 HEBB C[C@]1(NC(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)CCS(=O)(=O)C1 16458997 OKVCCKSUCYIRBR-FQEVSTJZSA-N 418.471 2.258 5 40 HEBB COc1ccc(NC(=O)CN2CCN(CCOc3ccccc3)CC2)c([N+](=O)[O-])c1 18934889 JNVJKHQXVJSOJG-UHFFFAOYSA-N 414.462 2.239 5 40 HEBB COc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1-n1nnnc1C 58405386 HENSDPQOYOTOTR-UHFFFAOYSA-N 420.389 2.326 5 40 HEBB COc1ccccc1CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 12562084 YACMDJBDXUBMQX-UHFFFAOYSA-N 407.448 2.236 5 40 HEBB CC(C)[C@@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 12800018 VBGDCUXXMQUDKY-GOSISDBHSA-N 407.448 2.135 5 40 HEBB COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(OC)c1 16347398 LXFPPIXZFUSXKI-UHFFFAOYSA-N 423.447 2.325 5 40 HEBB Cc1nn(C)cc1C[C@@H](C)NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619311 UAEGYKALRQZULM-GFCCVEGCSA-N 420.433 2.102 5 40 HEBB CCOCCCn1c(=N)c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc21 100628062 BYSLEMKTGXXJON-UHFFFAOYSA-N 421.457 2.078 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 108981139 PUFMFRRLQMXPGD-YQQAZPJKSA-N 407.492 2.172 5 40 HEBB Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)ccc1[N+](=O)[O-] 5938612 JUIHORDMLYGYEQ-UHFFFAOYSA-N 403.416 2.348 5 40 HEBB Cn1nc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2c1=O 9373424 ASHSPKIKPMKRAU-UHFFFAOYSA-N 416.777 2.291 5 40 HEBB CCNC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OC 10008917 RYCAESUGLKWANL-UHFFFAOYSA-N 409.420 2.163 5 40 HEBB CCN1CCN(Cc2ccccc2CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 32916248 ICBSTKCHGWVCTP-UHFFFAOYSA-N 422.489 2.352 5 40 HEBB COc1cccc([C@H]2c3c(-c4ccc([N+](=O)[O-])cc4)nnc(O)c3Nc3nnnn32)c1 10296146 GJPSMBAZNSUSQE-KRWDZBQOSA-N 418.373 2.447 5 40 HEBB CCOc1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 409146244 KHFLAEIBROQTKO-UHFFFAOYSA-N 423.447 2.407 5 40 HEBB O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5087717 AASVFUYNMRKLEW-INIZCTEOSA-N 409.446 2.232 5 40 HEBB Cc1c(NC(=O)COC(=O)Cn2cc(C(F)(F)F)ccc2=O)cccc1[N+](=O)[O-] 7982798 GVTBGMKYAASQHU-UHFFFAOYSA-N 413.308 2.266 5 40 HEBB O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nnc3n2CCC3)C1 69810378 DKMKRRQCEOWKLL-OAHLLOKOSA-N 407.434 2.338 5 40 HEBB O=C(O)CNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Cl 4567417 WVJOXOFOUGZQIL-DHDCSXOGSA-N 403.778 2.220 5 40 HEBB COCCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 12988350 PTYVECKTVAYLNG-CYBMUJFWSA-N 408.432 2.438 5 40 HEBB COc1ccc([C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 19897871 ASUXZXZJCMGQLN-FQEVSTJZSA-N 415.446 2.172 5 40 HEBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 24745468 ATUPLFVWVORGKZ-UHFFFAOYSA-N 417.447 2.223 5 40 HEBB Cc1cccn2c(=O)c3cc(C(=O)NC(C)C)c(=N)n(CCCOC(C)C)c3nc12 101116401 UIWFMTYECJWIDI-UHFFFAOYSA-N 411.506 2.390 5 40 HEBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20410877 WJMCULJQMBKIHX-UHFFFAOYSA-N 402.363 2.357 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCc1ccccc1)S(C)(=O)=O 220378229 GLEJOOFDBSFFDK-OAHLLOKOSA-N 405.476 2.417 5 40 HEBB COc1cccc2c1ccn2CC(=O)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 524731221 ONHLVODYGJVFBR-LSDHHAIUSA-N 422.441 2.366 5 40 HEBB biogenic Cc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)o1 15952828 NOEOOAPQBLYTTR-OAHLLOKOSA-N 408.432 2.091 5 40 HEBB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 16011986 FGMRIYXBKDSDSE-ORGXJRBJSA-N 420.425 2.176 5 40 HEBB COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c([N+](=O)[O-])c1 10187040 NQTPRWMQJSUERK-ZDUSSCGKSA-N 411.461 2.457 5 40 HEBB NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17089540 QBDCRBFKJGDVMC-UHFFFAOYSA-N 413.459 2.421 5 40 HEBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4O[C@@H]([C@H]5C(c6ccc([N+](=O)[O-])cc6)=NO[C@H]45)[C@@H]3C2=O)cc1 102850733 YNTRSSRUMSYCTL-UXESJPJBSA-N 419.393 2.209 5 40 HEBB COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)N3)cc1 20729974 QURBGGJOEIKVIB-OAHLLOKOSA-N 408.374 2.384 5 40 HEBB COCCn1ccc2nc3ccn(-c4ccc(NC(C)=O)cc4)c(=O)c3cc2c1=O 38829438 ZFZBJIHETMBDOS-UHFFFAOYSA-N 404.426 2.305 5 40 HEBB O=c1ccccn1CCNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 97001910 XBAVYMSIFUQQJE-UHFFFAOYSA-N 406.464 2.043 5 40 HEBB CCOC(=O)c1cn(C2CC2)c2cc(N3CCN[C@H](C)C3)c([N+](=O)[O-])cc2c1=O 5332655 JEUZMXHMJRCEPB-GFCCVEGCSA-N 400.435 2.219 5 40 HEBB O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 13540524 WMOIDSVFHDUYQF-RQXXJAGISA-N 418.409 2.026 5 40 HEBB O=[N+]([O-])c1cccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 19889705 SXBLRJLIIPNYBY-UHFFFAOYSA-N 406.420 2.010 5 40 HEBB Cc1c(OCC(=O)NCCCN2CCOCC2)ccc2c1oc(=O)c1ccccc12 20547852 MGVOEWGTEBITHO-UHFFFAOYSA-N 410.470 2.472 5 40 HEBB O=C1N/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(=O)N1Cc1ccc(F)cc1 409009016 QQUCTMSGQVWSAL-AWNIVKPZSA-N 402.294 2.441 5 40 HEBB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COc1cccnc1[N+](=O)[O-] 12969908 VPYNPGNIHQVEMK-UHFFFAOYSA-N 412.324 2.485 5 40 HEBB Cn1ccnc1[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1 29813373 DUESEYVHTNPCKA-SFHVURJKSA-N 403.402 2.428 5 40 HEBB Cc1c(Cl)cc(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)cc1[N+](=O)[O-] 32909233 RFXDFQWWTVTTRO-UHFFFAOYSA-N 401.872 2.236 5 40 HEBB O=[N+]([O-])c1ccc2[nH]c(CN(CCO)Cc3nc4ccc([N+](=O)[O-])cc4[nH]3)nc2c1 2779426 XVYCXGPPINXPFE-UHFFFAOYSA-N 411.378 2.250 5 40 HEBB COc1ccccc1CCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 22347921 OOAMCUSHFAQQAV-UHFFFAOYSA-N 421.475 2.118 5 40 HEBB CCOc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 22391063 XNMGHDRPXLPXRM-UHFFFAOYSA-N 423.447 2.407 5 40 HEBB COc1ccc(-c2nc(CN3CCN(C(=O)[C@H]4C[C@H]4[N+](=O)[O-])CC3)cs2)cc1 40115512 XJQKLSQTYIJUSU-DLBZAZTESA-N 402.476 2.128 5 40 HEBB CS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1cccc([N+](=O)[O-])c1 96519981 PAQOSPNLCDYULN-BDAKNGLRSA-N 405.597 2.000 5 40 HEBB CCOC(=O)c1sc(NC(=O)Cn2cnc([N+](=O)[O-])c2)c(C(=O)OCC)c1C 6195078 IMFQVRGUYVEYHY-UHFFFAOYSA-N 410.408 2.153 5 40 HEBB Cc1c(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cccc1[N+](=O)[O-] 16964356 OADUPEZTHLNTQH-LJQANCHMSA-N 411.414 2.170 5 40 HEBB COc1ccc(OC)c2c1CN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C[C@H]2O 21674356 AKXNRPTVXSFPLO-OAHLLOKOSA-N 408.432 2.069 5 40 HEBB COC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225015410 ZYNJZCMEAKHERP-UHFFFAOYSA-N 410.404 2.224 5 40 HEBB CCOC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225038179 YKVMAEBVWTTWCE-UHFFFAOYSA-N 422.415 2.140 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1cccc([N+](=O)[O-])c1C 225087848 MMJCWNXHRYTTRU-UHFFFAOYSA-N 409.376 2.400 5 40 HEBB O=C(CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O)NCc1ccco1 409209328 FTMAAAFNMAEAJM-AUWJEWJLSA-N 403.372 2.246 5 40 HEBB CCn1cnc2c1c(=O)n(Cc1cccc([N+](=O)[O-])c1)c(=O)n2Cc1ccccc1 5265114 KLVRRSNTWASLPW-UHFFFAOYSA-N 405.414 2.384 5 40 HEBB O=C(NCc1cccnc1-n1cncn1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 47121649 DBUYKODADNCPRC-UHFFFAOYSA-N 407.434 2.103 5 40 HEBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225087445 SPMHNMJWERUXGN-UHFFFAOYSA-N 423.403 2.488 5 40 HEBB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 8038821 ZGOPXHZOLRTLHN-CYBMUJFWSA-N 413.386 2.138 5 40 HEBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCOCC1 9667764 WTAXMWSIGHJEBX-UHFFFAOYSA-N 419.459 2.485 5 40 HEBB COCCNc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 12551302 YQWVQWFGNZGYFU-UHFFFAOYSA-N 408.455 2.346 5 40 HEBB COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1OC 19889984 RJXZCFHDZSRURT-UHFFFAOYSA-N 421.475 2.119 5 40 HEBB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 101407732 FDZPDWQOFWXZEN-WCIQWLHISA-N 418.409 2.371 5 40 HEBB COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@H]23)c(OC)c1 104046702 CRTQVYUERQDKLA-SJLPKXTDSA-N 411.370 2.213 5 40 HEBB COc1cc(OC)c(OC)cc1/C=c1\sc2nc3ccc([N+](=O)[O-])cc3n2c1=O 408722611 MDWOUAGVIYIXNY-IDUWFGFVSA-N 413.411 2.391 5 40 HEBB CC(C)C[C@@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 26304343 SMNODYMVXSISTC-FQEVSTJZSA-N 419.526 2.173 5 40 HEBB C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccc(S(N)(=O)=O)cc1 95462529 IZZDFYHJMHSQHU-LLVKDONJSA-N 403.420 2.143 5 40 HEBB CCCCn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)OC 2724051 PKSWZQGYGPKXAG-UHFFFAOYSA-N 407.452 2.182 5 40 HEBB CCOC(=O)c1cn(C2CC2)c2cc(N3CCN[C@@H](C)C3)c([N+](=O)[O-])cc2c1=O 5332661 JEUZMXHMJRCEPB-LBPRGKRZSA-N 400.435 2.219 5 40 HEBB Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)o1 32848042 MYVNZRHUUUHSFU-QGZVFWFLSA-N 409.464 2.156 5 40 HEBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1cc(F)ccc1F 7204857 VIANPSASWPCTCJ-JTQLQIEISA-N 409.345 2.461 5 40 HEBB CCOC(=O)CSc1nnc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1 8684593 HDCQTICIZFJLNY-UHFFFAOYSA-N 413.393 2.262 5 40 HEBB aggregator O=C1N[C@H](c2ccccc2[N+](=O)[O-])[C@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 15906648 DAGYAVSQCLBSSG-XJKCOSOUSA-N 410.308 2.094 5 40 HEBB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1cc([N+](=O)[O-])ccc1Cl 219665040 HZGXWYAEHXXTHK-UHFFFAOYSA-N 409.807 2.422 5 40 HEBB COc1ccc(/C=C2\C(=O)N(C(C)=O)CC(=O)N2Cc2ccc([N+](=O)[O-])cc2)cc1 4091720 XHJNPKYBKGGSBA-YBFXNURJSA-N 409.398 2.362 5 40 HEBB CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)CC1 13704824 HHXKRKCURJWQOJ-UHFFFAOYSA-N 416.506 2.390 5 40 HEBB CS(=O)(=O)[C@@](Cl)(I)C(=O)c1ccc([N+](=O)[O-])cc1 96518229 YMPAXHGFZWNFRI-VIFPVBQESA-N 403.581 2.150 5 40 HEBB C[C@@H](NC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1 4839510 LGSSUIJBORFODF-OAHLLOKOSA-N 413.430 2.466 5 40 HEBB CCS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1ccc([N+](=O)[O-])cc1 96520102 HAOBFEPXMLRSGD-VHSXEESVSA-N 419.624 2.391 5 40 HEBB O=C1CCC(=O)N1CN1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 22079278 CHZAHMZOTAGJLN-UHFFFAOYSA-N 413.434 2.028 5 40 HEBB COC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225078768 MYVMICWAUCRLFR-UHFFFAOYSA-N 422.415 2.058 5 40 HEBB CC1(C)C[C@H]2C[C@@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2CC12C(=O)NC(=O)NC2=O 9111242 WXTBTYWPGPEHNG-KPHUOKFYSA-N 412.446 2.277 5 40 HEBB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 25326354 MTVAHHARRWNQNO-HNNXBMFYSA-N 406.420 2.368 5 40 HEBB COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccccc1C(=O)N1CCOCC1 32883580 ALBWNKCYASLYJJ-UHFFFAOYSA-N 415.402 2.093 5 40 HEBB O=C(NCCc1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1N1CCOCC1 5699039 MEBQPKLTOXKRBK-UHFFFAOYSA-N 413.430 2.175 5 40 HEBB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 7758221 KUCFSXAXIHRDPG-UHFFFAOYSA-N 415.450 2.485 5 40 HEBB O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 95978805 KTQGTZKTKUVIRR-UHFFFAOYSA-N 413.356 2.217 5 40 HEBB CN(Cc1cccs1)C(=O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 8646665 YTZDZXZKEHGZFP-GOSISDBHSA-N 402.432 2.082 5 40 HEBB CC1(C)C[C@H]2C[C@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2CC12C(=O)NC(=O)NC2=O 101346121 WXTBTYWPGPEHNG-ZQGRQUNCSA-N 412.446 2.277 5 40 HEBB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 138021619 BSIKUHLEOMYPKY-SUWCGCSTSA-N 420.425 2.176 5 40 HEBB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 225000206 NGMSZKLCVZZZGC-UHFFFAOYSA-N 422.415 2.140 5 40 HEBB CCCCC(=O)NC(=S)N1CCN(c2ccc(C(=O)OCC)cc2[N+](=O)[O-])CC1 408572123 GUOGRCYCIRETSX-UHFFFAOYSA-N 422.507 2.485 5 40 HEBB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408624464 UIKGOJILULBRRK-YCBBYDHLSA-N 401.806 2.240 5 40 HEBB Cc1ccc(C(=O)COC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1[N+](=O)[O-] 5040812 ZFFCTWUSUQEVTQ-XCLFUZPHSA-N 417.418 2.130 5 40 HEBB Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cccc1[N+](=O)[O-] 8267611 DBCNZOAYQZNICR-UHFFFAOYSA-N 405.432 2.176 5 40 HEBB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)N(N=O)c1ccccc1O2 13511103 CCRGPJWWRZTQET-INIZCTEOSA-N 409.358 2.375 5 40 HEBB O=C1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40399225 DFBWYDIICKWMTI-AWEZNQCLSA-N 420.385 2.486 5 40 HEBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cccc([N+](=O)[O-])c1 8036792 SXNUYCQHGPNEME-GFCCVEGCSA-N 401.350 2.269 5 40 HEBB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 21487221 QLQQNGYCZGTTTG-OAHLLOKOSA-N 406.420 2.368 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225087502 WRKLNMSQHMRZDH-UHFFFAOYSA-N 409.376 2.400 5 40 HEBB COc1cc(CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 6380782 ANCPTBKYGUHYIX-UHFFFAOYSA-N 404.375 2.345 5 40 HEBB O=C1NC(=S)N(C2CC2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@@H]12 9109821 KQQUHYXFSPMEEJ-OXQOHEQNSA-N 414.487 2.292 5 40 HEBB CC(=O)c1ccc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c([N+](=O)[O-])c1 15143762 HBHXUWMTGVSCMU-UHFFFAOYSA-N 413.459 2.189 5 40 HEBB C[C@H]1CCCN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)C1 27967918 CBGULMHTGKQJMO-HNNXBMFYSA-N 419.507 2.242 5 40 HEBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1nnc2ccccn12 31499554 FNOXCPGWKJZPBO-KRWDZBQOSA-N 422.445 2.451 5 40 HEBB CS(=O)(=O)[C@](Cl)(I)[C@H](O)c1cccc([N+](=O)[O-])c1 96519982 PAQOSPNLCDYULN-RKDXNWHRSA-N 405.597 2.000 5 40 HEBB COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@H]23)cc1OC 8490646 GPTJDNKNJXNIQE-SJLPKXTDSA-N 411.370 2.213 5 40 HEBB CS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 22347917 UHPMKPCFPFVOSQ-UHFFFAOYSA-N 409.439 2.249 5 40 HEBB O=C(NC1CC1)c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)c([N+](=O)[O-])c1 58489149 VAFDMPFSFJVOSY-UHFFFAOYSA-N 420.473 2.457 5 40 HEBB COC(=O)c1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C 409315284 UVBAZZMHCSAWSQ-UHFFFAOYSA-N 421.431 2.095 5 40 HEBB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1OC 102895283 PGDCRVUWGQCJBE-WMZOPIPTSA-N 411.370 2.213 5 40 HEBB COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 4013667 PGIWMELRJGWFPO-UHFFFAOYSA-N 419.459 2.201 5 40 HEBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12 103523392 FLBVUNVQDLPVID-MKXGPGLRSA-N 416.393 2.192 5 40 HEBB COc1ccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 6405545 DGRKMQNNMSVLLB-IAGOWNOFSA-N 403.416 2.216 5 40 HEBB CCOc1ccc(Nc2nc(NCCCN3CCOCC3)nc(N)c2[N+](=O)[O-])cc1 20289028 GPIPLJKEECCWLT-UHFFFAOYSA-N 417.470 2.244 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 224058190 JAPRDICVCKNZLJ-UHFFFAOYSA-N 409.439 2.167 5 40 HEBB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4cccc([N+](=O)[O-])c4)cnc32)cc1C 10252063 LZVODXOXBZBQSK-UHFFFAOYSA-N 404.386 2.491 5 40 HEBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(N)=O 8471006 XQFYICFXYZBAGC-UHFFFAOYSA-N 408.842 2.323 5 40 HEBB COc1cccc([C@H]2c3c(-c4cccc([N+](=O)[O-])c4)nnc(O)c3Nc3nnnn32)c1 10296476 OZBXUNSBMHHVIC-KRWDZBQOSA-N 418.373 2.447 5 40 HEBB Nc1nc(N2CCCCC2)nc2c1[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2 20799917 GCVLQQFRTDXGFW-NSHDSACASA-N 411.422 2.022 5 40 HEBB O=[N+]([O-])c1ccc(N2CCN(Cn3nc(CN4CCCC4)oc3=S)CC2)cc1 24992203 VPGSDNIUPZUTAC-UHFFFAOYSA-N 404.496 2.489 5 40 HEBB Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 36391123 JUFVPHGLCRQHIJ-UHFFFAOYSA-N 410.427 2.499 5 40 HEBB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 223056320 IPEKKUNBJFCUBV-UHFFFAOYSA-N 405.432 2.361 5 40 HEBB COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224840002 FCBQHXMILQPKIM-UHFFFAOYSA-N 422.415 2.043 5 40 HEBB CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225024378 CVMJXBZZYSPISR-UHFFFAOYSA-N 424.431 2.370 5 40 HEBB COc1ccc(N(CC(=O)O)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC 225077789 WCNGICFLIHGKJZ-UHFFFAOYSA-N 410.404 2.200 5 40 HEBB COCCN(CCOC)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 15206909 MRRGPWZAXMQJEP-UHFFFAOYSA-N 415.512 2.259 5 40 HEBB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 16250174 GUZXVYGQIBSXMA-UHFFFAOYSA-N 423.447 2.180 5 40 HEBB O=C1NCCCC[C@@H]1Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 48302503 SEZOPZHAEABBMY-INIZCTEOSA-N 410.496 2.240 5 40 HEBB COC(=O)c1c(C)[nH]c(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1C 11080748 RVJOMIICECJDKN-UHFFFAOYSA-N 405.407 2.316 5 40 HEBB CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(F)cc2)CC1 72307755 GRCVRZIACDGDDZ-UHFFFAOYSA-N 424.454 2.242 5 40 HEBB COC[C@](C)(CCO)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] 79099221 IHEFLJSVFKVKHE-KSSFIOAISA-N 415.512 2.215 5 40 HEBB CCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 84761236 BJNTWOUAVQXRDF-UHFFFAOYSA-N 415.468 2.233 5 40 HEBB COc1cc2c(cc1OC)[C@]13CC[N+]4([O-])CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@H]5C[C@H]34 103834014 HHHQMKWPZAYIAE-SXDNYFEHSA-N 410.470 2.122 5 40 HEBB COc1ccc(-n2nc([N+](=O)[O-])c(NCCc3ccc(OC)c(OC)c3)[n+]2[O-])cc1 8682903 IVRMAQTUVGOMAA-UHFFFAOYSA-N 415.406 2.094 5 40 HEBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 8268102 MUYRPASZXNXKSZ-UHFFFAOYSA-N 405.432 2.176 5 40 HEBB O=C(c1ccccc1Cl)N1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 32743332 DLLSNLOIOLXEQS-MRXNPFEDSA-N 419.865 2.446 5 40 HEBB CS(=O)(=O)[C@](Cl)(I)C(=O)c1cccc([N+](=O)[O-])c1 96518236 NNNKIFUMKXKDQC-SECBINFHSA-N 403.581 2.150 5 40 HEBB COc1cccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 7718532 GNJYLGZWPQCFLP-SJORKVTESA-N 403.416 2.216 5 40 HEBB Cc1ccc(CNC(=O)NCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 11240017 RQCTVHDKDKXZTJ-UHFFFAOYSA-N 411.462 2.051 5 40 HEBB CCOc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 10448725 WEFSVONYHFMDNH-UHFFFAOYSA-N 407.448 2.076 5 40 HEBB O=C(O)c1cc([N+](=O)[O-])c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1 103625689 VNHSJTGWBGDTJT-UHFFFAOYSA-N 417.334 2.436 5 40 HEBB O=C(Nc1nncs1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 12741606 JTIWATOHXMIFSA-UHFFFAOYSA-N 405.417 2.499 5 40 HEBB O=[N+]([O-])c1c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2ccccn12 29164666 CVZRTUNGJQEHNR-UHFFFAOYSA-N 421.866 2.407 5 40 HEBB CC(C)(C)c1nc(CN2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)no1 48253647 YWXFGDTWBSJTEZ-UHFFFAOYSA-N 423.495 2.001 5 40 HEBB CNc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1[N+](=O)[O-] 7609014 HPEIDDRVMVNTAH-UHFFFAOYSA-N 424.523 2.486 5 40 HEBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)N(C)C1CCCCC1 11778415 ZGZYNHNXYNPUPN-UONOGXRCSA-N 405.451 2.436 5 40 HEBB CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)N(C)C 12522659 BCDIMUAOFGIFDZ-INIZCTEOSA-N 414.528 2.004 5 40 HEBB O=C(OCC(=O)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1)c1ccc([N+](=O)[O-])s1 21470317 BCWPTBKQGOQJBY-ZDUSSCGKSA-N 422.440 2.157 5 40 HEBB CCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccc(OC)cc2)c1=N 101262511 HFVHOXRGBVVBPV-UHFFFAOYSA-N 417.469 2.130 5 40 HEBB COc1cccc([C@@H]2c3c(-c4cccc([N+](=O)[O-])c4)nnc(O)c3Nc3nnnn32)c1 10296469 OZBXUNSBMHHVIC-QGZVFWFLSA-N 418.373 2.447 5 40 HEBB COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c(OC)c1 16250192 RXSLPWILCUCYRY-UHFFFAOYSA-N 423.447 2.325 5 40 HEBB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 248379517 NBKPSVBOLWSLHR-NCXUSEDFSA-N 404.382 2.062 5 40 HEBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1ccc(O)c(I)c1 409333807 JOZGWLHOWMTBIT-HNQUOIGGSA-N 401.116 2.277 5 40 HEBB Cc1ccc2nc(COC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc(=O)n2c1 9464929 ZYXKERFIUNNIAP-UHFFFAOYSA-N 424.413 2.105 5 40 HEBB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(F)c([N+](=O)[O-])c1 12811087 ALRZZODJYVXGLV-UHFFFAOYSA-N 410.379 2.308 5 40 HEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc3c(c2)OCO3)c1=N 101040910 SEVNRUHPHLFWBA-UHFFFAOYSA-N 418.409 2.082 5 40 HEBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 224652016 JCIZQMGPJVVZDS-UHFFFAOYSA-N 424.431 2.289 5 40 HEBB Cc1ccc(-c2nnc(S)n2CC(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 12857255 XFQHGXXSTRULIZ-MRXNPFEDSA-N 413.459 2.300 5 40 HEBB COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)c2cc(C)n(-c3nccs3)c2C)c1=O 40051886 JCXYBHXJBPMFAQ-UHFFFAOYSA-N 416.415 2.290 5 40 HEBB Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(=N)n3C(C)C)c(=O)n2c1 100630631 WJIDIOBOCMONGU-UHFFFAOYSA-N 402.458 2.343 5 40 HEBB aggregator C[C@@H](C(=O)NCCN(C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220418856 LOGDJKJUHQAQNJ-HNNXBMFYSA-N 420.491 2.002 5 40 HEBB Cc1ccc(OCCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220416971 JDJVGDUCLUPLKZ-HNNXBMFYSA-N 421.475 2.253 5 40 HEBB O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1CCOc1cccc([N+](=O)[O-])c1 40116960 RCFDAALZZXKIMD-UHFFFAOYSA-N 422.357 2.478 5 40 HEBB NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 6654548 WBHHBUBVTIAXMI-UHFFFAOYSA-N 412.402 2.089 5 40 HEBB Cc1c(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cccc1[N+](=O)[O-] 220028929 YNESAJYYFBUTMY-UHFFFAOYSA-N 421.431 2.079 5 40 HEBB O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12 9012739 FLBVUNVQDLPVID-YRXWBPOGSA-N 416.393 2.192 5 40 HEBB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 28727328 TZRCLQRXHHSAOO-LBPRGKRZSA-N 407.448 2.302 5 40 HEBB Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 506003776 WMRGVHKGXWWJCD-SCLBCKFNSA-N 414.466 2.150 5 40 HEBB CCC(CC)C(=O)N1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 32829811 REPQMRQCRNOUSU-UHFFFAOYSA-N 418.494 2.152 5 40 HEBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20461901 HGJZWVDTUJDULC-UHFFFAOYSA-N 405.432 2.009 5 40 HEBB CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3cccc(F)c3)c([N+](=O)[O-])c2)CC1 36448969 KPFDHKZSBWYZRC-UHFFFAOYSA-N 422.482 2.306 5 40 HEBB O=[N+]([O-])c1ccc([C@H](O)CNS(=O)(=O)c2ccc(Br)cc2)cc1 606428349 IQUVRGBZGZOGHF-CQSZACIVSA-N 401.238 2.369 5 40 HEBB CCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc([N+](=O)[O-])cc4)nc32)cc1 9739025 CYCZNPCTPPRPMQ-UHFFFAOYSA-N 420.385 2.182 5 40 HEBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 12816194 ZUGVKSDEEINASB-AWEZNQCLSA-N 423.422 2.444 5 40 HEBB CC(C)(C)[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1 95432592 RUZLSVFKMWGNPE-LBPRGKRZSA-N 421.439 2.366 5 40 HEBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225008222 OKOPMEJXSYGUCK-UHFFFAOYSA-N 409.376 2.261 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 8267189 LHTFXHNGNRGKAS-UHFFFAOYSA-N 405.432 2.176 5 40 HEBB Cc1csc(Sc2ccc(C(=O)OCC(=O)N3CCNC3=O)cc2[N+](=O)[O-])n1 9691834 AHWTZIXIKIWGPV-UHFFFAOYSA-N 422.444 2.220 5 40 HEBB O=C(O)CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 13578984 HYMRWZHGXPBUMX-UHFFFAOYSA-N 415.358 2.194 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1 5392558 VMJOAYDMBHCWSN-UHFFFAOYSA-N 403.460 2.358 5 40 HEBB Cc1occc1-c1nnc(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)n1C 9317086 SNWGBAVNQGJQGR-UHFFFAOYSA-N 401.404 2.340 5 40 HEBB O=C(COC(=O)COc1cccc(Br)c1)Nc1ncc([N+](=O)[O-])s1 9539641 XHHQJIGLTDXIDW-UHFFFAOYSA-N 416.209 2.375 5 40 HEBB Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 22348128 FCQGHXXOVIEQIC-OAHLLOKOSA-N 421.475 2.253 5 40 HEBB Cc1nn(C)cc1C[C@H](C)NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619312 UAEGYKALRQZULM-LBPRGKRZSA-N 420.433 2.102 5 40 HEBB O=C(Nc1cccc(N2CCOC2=O)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 58158731 BWXTTWHTAXUCHI-UHFFFAOYSA-N 412.406 2.301 5 40 HEBB CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 32895649 VNJQFGSYCAIFCW-UHFFFAOYSA-N 422.415 2.306 5 40 HEBB O=[N+]([O-])c1ccc2c(cnn2CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 22310080 HCOZAUGARGIWTC-UHFFFAOYSA-N 419.438 2.048 5 40 HEBB O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1CCn1c(=O)oc2ccccc21 32782549 ONWIWVRPCISTKP-UHFFFAOYSA-N 418.369 2.099 5 40 HEBB CSCC[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O)n1cccc1 604406001 XKZMZJVOLGTONY-VYDXJSESSA-N 416.503 2.498 5 40 HEBB biogenic COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc([N+](=O)[O-])c1OC(C)=O 6949895 QPVISAFILUHTEQ-SXGWCWSVSA-N 411.395 2.299 5 40 HEBB C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCOCC1 23181851 OPCAHCFFZFPZLQ-CXAGYDPISA-N 411.505 2.397 5 40 HEBB COc1ccc(Cl)cc1N(CC(N)=O)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409114659 PPZKYAIDBCZUNU-UHFFFAOYSA-N 413.839 2.246 5 40 HEBB COc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 24366839 KUUQJEHYKSEWDM-UHFFFAOYSA-N 420.447 2.142 5 40 HEBB O=C(O)c1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CCN(c2ccccc2F)CC1 256048365 SMMVIFJVMPYSDI-UHFFFAOYSA-N 412.381 2.339 5 40 HEBB O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@@](O)(C(F)(F)F)N1 5525227 TUVHGKFBTZZXMO-XJKCOSOUSA-N 410.308 2.094 5 40 HEBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 9884207 SCXWOHNDHXEQBF-UHFFFAOYSA-N 415.880 2.456 5 40 HEBB COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2N2CCCN12 19169992 RGTVNUYCFJBVFN-FHWLQOOXSA-N 408.414 2.139 5 40 HEBB Cc1c(N(CC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cccc1[N+](=O)[O-] 220026922 LAGAPFLGVSVZEC-UHFFFAOYSA-N 407.404 2.037 5 40 HEBB C[C@@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)Nc1cccc([N+](=O)[O-])c1 3529521 SURRNZNXKWRBKK-GFCCVEGCSA-N 422.397 2.435 5 40 HEBB O=[N+]([O-])c1ccc(NC[C@@H](CO)Cc2ccco2)c(S(=O)(=O)N2CCCC2)c1 24205869 DAYUDFUBWXWHGK-AWEZNQCLSA-N 409.464 2.235 5 40 HEBB O=C(NCc1ccccc1)C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 25304886 QXGSIUGBICUSMU-HXUWFJFHSA-N 413.474 2.363 5 40 HEBB CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 546970595 UYKQJDDUXKJSHM-UHFFFAOYSA-N 408.388 2.233 5 40 HEBB Cc1nn(CC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1[N+](=O)[O-] 2636743 KLBLVPBBQKGNQS-UHFFFAOYSA-N 406.464 2.466 5 40 HEBB O=C(Oc1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 107849098 QCKICJGYPKSPQC-RMKNXTFCSA-N 424.325 2.269 5 40 HEBB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cccc([N+](=O)[O-])c1 5407701 XCUPNCRPJBWQOD-INIZCTEOSA-N 406.464 2.040 5 40 HEBB Cc1c(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cccc1[N+](=O)[O-] 16964355 OADUPEZTHLNTQH-IBGZPJMESA-N 411.414 2.170 5 40 HEBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 23108114 JAPJWIDCIXREEC-SFHVURJKSA-N 409.439 2.086 5 40 HEBB CCOC(=O)c1cc(C(=O)N2CSC[C@@H]2C(=O)NCCC(C)C)cc([N+](=O)[O-])c1 69530024 YBTKMWHLDRRAEG-MRXNPFEDSA-N 423.491 2.449 5 40 HEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)CC 103628921 MLZIJLUGDFPLML-GFMRDNFCSA-N 420.425 2.305 5 40 HEBB C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1S(=O)(=O)c1ccccc1 4083464 AAENPMQHDYNLBS-CYBMUJFWSA-N 406.420 2.402 5 40 HEBB CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1cccc([N+](=O)[O-])c1 409023664 AZLZGEMXEBGLKQ-UHFFFAOYSA-N 409.489 2.269 5 40 HEBB COc1ccc(CSc2nnc(Nc3ccc([N+](=O)[O-])cc3)c(=O)n2N)cc1 28535146 LKYMASZVKOXTMF-UHFFFAOYSA-N 400.420 2.305 5 40 HEBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCCO2 9169816 ZMQUFEAITCIYRX-UHFFFAOYSA-N 414.403 2.293 5 40 HEBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC)c([N+](=O)[O-])c3)C2=O)o1 107819863 ZDSHWHZTMGEEQW-GHXNOFRVSA-N 401.331 2.076 5 40 HEBB COc1cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(CN2CCCCC2)cc1=O 16974397 YNNDIBWHZPNWQJ-UHFFFAOYSA-N 400.435 2.390 5 40 HEBB CNc1ccc(C(=O)c2ccccc2C(=O)N2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] 28268013 FFDKDVKIDMJOHX-UHFFFAOYSA-N 410.430 2.172 5 40 HEBB CS(=O)(=O)[C@@](Cl)(I)C(=O)c1cccc([N+](=O)[O-])c1 96518235 NNNKIFUMKXKDQC-VIFPVBQESA-N 403.581 2.150 5 40 HEBB Cc1[nH]c2ccccc2c1C(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 9883807 DFBBCVKJYJMBIO-UHFFFAOYSA-N 421.365 2.407 5 40 HEBB COc1ccc([C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 19897850 HVMWUNHZQHAFQI-IBGZPJMESA-N 415.446 2.172 5 40 HEBB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)O2 38860256 FXCQVNAUNHVOBW-KRWDZBQOSA-N 405.432 2.377 5 40 HEBB O=[N+]([O-])c1cccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)c1 57996983 VZUSZEVGNUIVBY-UHFFFAOYSA-N 403.460 2.036 5 40 HEBB CCCc1cc(=O)[nH]c(SCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 11443254 XIFZZBRRUIKFNV-UHFFFAOYSA-N 417.491 2.072 5 40 HEBB O=C1N(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2C12OCCCO2 226760938 YBXBIKIKWQQPDS-UHFFFAOYSA-N 424.457 2.311 5 40 HEBB O=[N+]([O-])c1cccnc1Sc1nc(=Nc2ccccc2)nc(N2CCOCC2)[nH]1 408608368 WDGOZUXBTBPYGC-UHFFFAOYSA-N 411.447 2.328 5 40 HEBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 3557300 IMEMVOMCSMNONL-XNTDXEJSSA-N 401.444 2.353 5 40 HEBB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N(C)C(=O)N1C 13041410 QFRHTDXSBONCNB-MRXNPFEDSA-N 408.842 2.419 5 40 HEBB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 16120310 KJEIREIEBUNNPU-UHFFFAOYSA-N 408.388 2.277 5 40 HEBB CCOc1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 16693519 CPSJWNQTPHFRIZ-UHFFFAOYSA-N 423.447 2.407 5 40 HEBB Cc1c(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cccc1[N+](=O)[O-] 38860278 KBHVYEJCEUMXOT-KRWDZBQOSA-N 405.432 2.459 5 40 HEBB CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 225038368 XACDMJUXRWFYDK-UHFFFAOYSA-N 422.415 2.140 5 40 HEBB COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1N1C(=O)CCC1=O 223264271 NATRDRIHPMYVLQ-UHFFFAOYSA-N 419.415 2.366 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1n[nH]c(=O)c2ccccc12 9244694 QSTZRGUUDCRYOU-SNVBAGLBSA-N 412.358 2.024 5 40 HEBB COC(=O)C1=C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)c2sc(=O)[nH]c2S1 9428424 MSUIXAOPKQHUDR-SECBINFHSA-N 408.413 2.182 5 40 HEBB CCN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@@H](C)C[C@@H]32)C(=O)N(C)C1=S 4624653 BOBBKTLZLUOETE-CBLJQSSYSA-N 416.503 2.348 5 40 HEBB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 4889875 RIGPKMPHSDKHRD-HUUCEWRRSA-N 405.451 2.093 5 40 HEBB C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccccc1 11672849 QPIFLSABHIZKMO-CHWSQXEVSA-N 420.443 2.421 5 40 HEBB COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224773102 XFSUYKSUKJLOHJ-UHFFFAOYSA-N 424.431 2.289 5 40 HEBB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cccc([N+](=O)[O-])c1 6509564 NAYUCCQFKJWMCH-UHFFFAOYSA-N 413.434 2.452 5 40 HEBB Cc1ccc(S(=O)(=O)Oc2cc3ncc(-c4n[nH]cc4[N+](=O)[O-])cn3n2)cc1 8763901 GDTLCNQGHSWRBY-UHFFFAOYSA-N 400.376 2.104 5 40 HEBB Cc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 223776037 XBXOIBGFAOBIPC-UHFFFAOYSA-N 421.475 2.173 5 40 HEBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc2c(c1)OCO2 6257557 HBPHUHKWZNVXFV-UHFFFAOYSA-N 414.443 2.160 5 40 HEBB CS(=O)(=O)c1ccc(NCCNC(=O)c2cc3cc(F)ccc3[nH]2)c([N+](=O)[O-])c1 12770124 LGLCQZMPBHNLHK-UHFFFAOYSA-N 420.422 2.461 5 40 HEBB CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C 12795289 SJOZZJNDIUVVFV-UHFFFAOYSA-N 420.491 2.180 5 40 HEBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCn1nnc2ccccc2c1=O 32842250 JBRBDMUOIJTOBV-UHFFFAOYSA-N 401.810 2.402 5 40 HEBB CN(C)c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 4679162 GWUZLBLUHLYHGB-UHFFFAOYSA-N 404.492 2.313 5 40 HEBB COCCN1CCC[C@@]2(CN(Cc3ccc([N+](=O)[O-])c(O)c3)CC(F)(F)C2)C1=O 306139459 SXWOFAPKHKGEPR-GOSISDBHSA-N 413.421 2.397 5 40 HEBB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 15975124 BSIKUHLEOMYPKY-MSQSPTIYSA-N 420.425 2.176 5 40 HEBB COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@@H]23)c1 102885069 WZUUZSSWXMLOCE-WMZOPIPTSA-N 411.370 2.213 5 40 HEBB COc1ccc(OC)c(N(CC(=O)O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 224773167 XLSVZHRDDVZTCH-UHFFFAOYSA-N 410.404 2.200 5 40 HEBB O=C(N[C@H](Cn1cncn1)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 58315556 VCSIOORXTOYNNP-GOSISDBHSA-N 422.445 2.194 5 40 HEBB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3N3CCCN23)cc1 100090997 HNHULONBMOKPMS-QYZOEREBSA-N 408.414 2.139 5 40 HEBB CNS(=O)(=O)c1ccc(Sc2nc(Cc3cccs3)n[nH]2)c([N+](=O)[O-])c1 12870485 XMUWQJHVWIDJSA-UHFFFAOYSA-N 411.490 2.425 5 40 HEBB Cc1cc(O)c(C(c2ccc([N+](=O)[O-])cc2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C 7597004 CZPQACAWHSVQNT-UHFFFAOYSA-N 411.414 2.200 5 40 HEBB O=C1[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 15223795 PTAAMSSDVVNNBX-QLDGJZPUSA-N 418.409 2.026 5 40 HEBB COC(=O)C1=C(C(=O)OC)N(c2ccccc2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 32936420 VHFZRKKVGWNSJG-MRXNPFEDSA-N 411.370 2.466 5 40 HEBB COc1cc(OCC(=O)NCc2cc(OC)c(OC)c(OC)c2)ccc1[N+](=O)[O-] 66017594 JBJZUZYJEYERSP-UHFFFAOYSA-N 406.391 2.324 5 40 HEBB CC1CCN(S(=O)(=O)c2ccc(NC(=O)CCn3cnc([N+](=O)[O-])c3)cc2)CC1 24598235 RREHJRUTPWDICT-UHFFFAOYSA-N 421.479 2.241 5 40 HEBB O=C(NCc1ccc(-n2cccn2)nc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 32802629 SWHHGYLHXWKBEO-UHFFFAOYSA-N 407.434 2.207 5 40 HEBB COc1cccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@H]23)c1OC 102556987 UWXKKHUMNBVSTH-CRAIPNDOSA-N 411.370 2.213 5 40 HEBB CS(=O)(=O)N(CCCC(=O)NCCc1ccccc1)c1cccc([N+](=O)[O-])c1 222683467 VJGWRNVRMJNEGA-UHFFFAOYSA-N 405.476 2.500 5 40 HEBB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1cccc(Cn2ccnc2)c1 25174216 CUUISGCCVKMFFT-UHFFFAOYSA-N 407.386 2.204 5 40 HEBB COC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225075735 AALLQROOOLAIBW-UHFFFAOYSA-N 422.415 2.058 5 40 HEBB O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)c1 13585766 MJZVPOVXRWHAHY-UHFFFAOYSA-N 407.429 2.434 5 40 HEBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](c1ccccc1)N1CCOCC1 45806224 KFDKQVXWZIDQNF-GOSISDBHSA-N 405.476 2.255 5 40 HEBB COc1cc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1[N+](=O)[O-] 66012744 PTFYWKVYSPNGTG-UHFFFAOYSA-N 412.402 2.419 5 40 HEBB COc1ccc(C(=O)NC(=S)N2CCN(c3ccc(O)cc3)CC2)cc1[N+](=O)[O-] 3262844 ORYVDCLLQWKNPD-UHFFFAOYSA-N 416.459 2.146 5 40 HEBB O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)Nc1ccc2c(c1)OCCO2 5400827 BOPXCOIYMVKRQO-UHFFFAOYSA-N 408.370 2.228 5 40 HEBB O=[N+]([O-])c1ccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 19868058 CMGWZIJZSFDMJC-UHFFFAOYSA-N 406.420 2.010 5 40 HEBB CNC(=O)c1ccc(CN(C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 29929684 LGMGXJVXEYVPSB-CYBMUJFWSA-N 400.435 2.422 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2nc(C(C)(C)C)no2)CC1 30571525 XSIVQVLMNREFLH-UHFFFAOYSA-N 423.495 2.090 5 40 HEBB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)cc1OC 101362108 YJXOSFDDGICVCQ-WMZOPIPTSA-N 411.370 2.213 5 40 HEBB COC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225085628 HUKHXOPJTOTTGF-UHFFFAOYSA-N 422.415 2.043 5 40 HEBB O=c1/c(=C/c2cccc(Cl)c2)sc2n1CN(c1ccc([N+](=O)[O-])cc1)CN=2 5093999 SNHUHXAADJHWEK-SXGWCWSVSA-N 400.847 2.355 5 40 HEBB O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccccc1F 9379134 UYUBTVYDVYBVRS-UHFFFAOYSA-N 420.828 2.466 5 40 HEBB O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@]1(C(=O)Nc3ccccc31)N1CCC[C@H]21 103563314 WMOIDSVFHDUYQF-OZQHCQBDSA-N 418.409 2.026 5 40 HEBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(F)c1 225112897 ZZYNMCBKJYDGEB-UHFFFAOYSA-N 412.395 2.419 5 40 HEBB Cc1ccc(OCC(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 25021882 KDEXTFOWLNZPDE-UHFFFAOYSA-N 413.430 2.174 5 40 HEBB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 5193410 QYBPVLNEFNLHNQ-ZDUSSCGKSA-N 413.386 2.138 5 40 HEBB Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1S(N)(=O)=O 19618390 MCIFEWOWBVXLJK-UHFFFAOYSA-N 404.448 2.403 5 40 HEBB CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 35191286 UAWZXTCUDVFEMB-UHFFFAOYSA-N 420.491 2.467 5 40 HEBB CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225002059 SIDPCSCQWUXPNF-UHFFFAOYSA-N 424.431 2.370 5 40 HEBB CCCN1C(=S)N[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)N2CCOCC2)=C1C 5938047 IIBMJVXFBTTWTI-QGZVFWFLSA-N 404.492 2.369 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 19934723 UMHXGTZEQDVJEI-UHFFFAOYSA-N 419.459 2.318 5 40 HEBB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 21487222 QLQQNGYCZGTTTG-HNNXBMFYSA-N 406.420 2.368 5 40 HEBB O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1CN(c1ccc(Cl)cc1)CN=2 2342414 OWYUTFOWJREFMA-SXGWCWSVSA-N 400.847 2.355 5 40 HEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc(F)cc1 9414123 FWVPBAANHOPYJM-PLRJNAJWSA-N 420.400 2.243 5 40 HEBB CCCNC(=O)[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 32857648 XBLQVGUHYFCIIR-LJQANCHMSA-N 412.446 2.351 5 40 HEBB O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 5523792 JVUOXXNQZWNLDX-WOSRLPQWSA-N 410.308 2.094 5 40 HEBB Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1 7499607 LGGAUEVQPPBVHB-UHFFFAOYSA-N 404.448 2.338 5 40 HEBB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 224772325 GZRCDCZBFFNKHC-UHFFFAOYSA-N 410.404 2.200 5 40 HEBB NC(=O)/C=C\c1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 409021627 QUUVTCZWSXVDKL-KXFIGUGUSA-N 410.430 2.144 5 40 HEBB C[C@H]1CN(c2ccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cn2)C[C@H](C)O1 40142670 ZOBXMNQVTUOGOZ-KBPBESRZSA-N 423.433 2.436 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCc1ccccc1)S(C)(=O)=O 220378172 GLEJOOFDBSFFDK-HNNXBMFYSA-N 405.476 2.417 5 40 HEBB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc([N+](=O)[O-])ccc2OC)cc1F 225112029 CSVOIMIVWAVTEJ-UHFFFAOYSA-N 414.367 2.031 5 40 HEBB Cn1c(N)c(C(=O)COC(=O)c2c3ccccc3cc3ccccc23)c(=O)n(C)c1=O 3246681 MZAHNCSSDVCEHI-UHFFFAOYSA-N 417.421 2.012 5 40 HEBB CC[C@@]1(c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)CCC(=O)NC1=O 5260023 RMSPKJUJIDQXMD-IBGZPJMESA-N 417.443 2.480 5 40 HEBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)c2cccs2)CC1=O 7881651 HAZWAYUAGRPWQT-LLVKDONJSA-N 404.400 2.444 5 40 HEBB NC(=O)c1ccc(N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c([N+](=O)[O-])c1 12545884 QSWILIMPXVRWNI-UHFFFAOYSA-N 408.458 2.495 5 40 HEBB CC(C)OC(=O)C[C@@H](NC(=O)c1cnc2ccccn2c1=O)c1ccccc1[N+](=O)[O-] 32900183 PWVRLBPPERYUBS-MRXNPFEDSA-N 424.413 2.416 5 40 HEBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1C 25795748 QXUCZERSPORVKQ-AWEZNQCLSA-N 420.491 2.491 5 40 HEBB CCOC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225002631 SHHUDNYXVUSGIW-UHFFFAOYSA-N 422.415 2.140 5 40 HEBB O=c1/c(=C/c2ccc(Cl)cc2)sc2n1CN(c1cccc([N+](=O)[O-])c1)CN=2 1311657 WRISPFTXLBPODX-PXNMLYILSA-N 400.847 2.355 5 40 HEBB Cc1cc(O)c(C(c2ccccc2[N+](=O)[O-])c2c(O)cc(C)n(C)c2=O)c(=O)n1C 10217726 QEENPJDXPVZNTN-UHFFFAOYSA-N 411.414 2.200 5 40 HEBB O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1cccs1)N1CCOCC1 22357932 YZKAYLACPHRGBA-KRWDZBQOSA-N 419.507 2.441 5 40 HEBB COc1ccccc1[C@H]1c2c(-c3ccc([N+](=O)[O-])cc3)nnc(O)c2Nc2nnnn21 10296164 UUKGXXXUWLFUHL-KRWDZBQOSA-N 418.373 2.447 5 40 HEBB Cc1c(O[C@@H](C)C(=O)NCCN2CCOCC2)ccc2c1oc(=O)c1ccccc12 20533608 QQEDUAWECGZXEW-INIZCTEOSA-N 410.470 2.470 5 40 HEBB COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)NCCc2ccccn2)CC1 32912022 UKQZRUSVRYNSFE-UHFFFAOYSA-N 412.446 2.210 5 40 HEBB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 4981475 BOQNALBMIRWPLB-KXBFYZLASA-N 402.495 2.484 5 40 HEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O 6929851 QIXSPCGDCCRZJH-ZDUSSCGKSA-N 407.448 2.247 5 40 HEBB Cn1ccnc1[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 12581731 LDRXVLBSIVDRPN-MRXNPFEDSA-N 405.411 2.316 5 40 HEBB COc1cc(CC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(OC)c1OC 3247290 NZMGRMTXGBGMFN-UHFFFAOYSA-N 422.365 2.484 5 40 HEBB COCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3cc(C)ccc3nc21 100627947 YNWTULRGRLAUQJ-UHFFFAOYSA-N 409.490 2.146 5 40 HEBB Cc1nc(CN2CCN(CC(=O)N3CCCc4cc([N+](=O)[O-])ccc43)CC2)cs1 32761125 OMFWWYCAEFSBMR-UHFFFAOYSA-N 415.519 2.457 5 40 HEBB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]23)c(OC)c1 101235961 BRJUXKBPZYTFHY-AEFFLSMTSA-N 411.370 2.213 5 40 HEBB Cc1nn(CC(=O)OCCCCN2C(=O)c3ccccc3C2=O)c(C)c1[N+](=O)[O-] 5825616 FAOYJXPSRSEGPC-UHFFFAOYSA-N 400.391 2.028 5 40 HEBB Cc1cc(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] 6792918 PFGZGYUVQLKDAI-UHFFFAOYSA-N 418.475 2.237 5 40 HEBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 8379626 AYVMKXQPDXMJPN-DHZHZOJOSA-N 401.444 2.141 5 40 HEBB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])nc2n1 9982823 QSDXMYBGAVXJAE-UHFFFAOYSA-N 404.770 2.098 5 40 HEBB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 2617013 WIGSHJHQONPKGV-LBPRGKRZSA-N 418.427 2.133 5 40 HEBB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 3372710 LFQGBIFUVWGICJ-LBPRGKRZSA-N 418.402 2.482 5 40 HEBB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)c1 5392616 JYXGQJFPAADIRI-UHFFFAOYSA-N 417.487 2.287 5 40 HEBB O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 6829789 HDLOIHOSCMRFQP-NRFANRHFSA-N 409.398 2.441 5 40 HEBB Cn1ccnc1[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 10656587 OVIPLAIWWGZKOB-GOSISDBHSA-N 411.393 2.103 5 40 HEBB COc1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] 15618780 CQFBPBNCWAKMJL-UHFFFAOYSA-N 401.375 2.133 5 40 HEBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@@H]2c2ccccc2)C1=O 5376819 DLPYQYJYMQVKAU-QGZVFWFLSA-N 408.414 2.365 5 40 HEBB CCOC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cc([N+](=O)[O-])ccc21 100877324 AYABCKIUQYLQPC-MSUUIHNZSA-N 420.359 2.416 5 40 HEBB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 36398279 TUUYXAMPMYFGOM-KRWDZBQOSA-N 407.386 2.467 5 40 HEBB Cc1cc(C(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)ccc1[N+](=O)[O-] 58310597 ASMOWHUGIVRBPD-UHFFFAOYSA-N 407.430 2.098 5 40 HEBB COC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225040680 DHYVGCYBBWVVGR-UHFFFAOYSA-N 410.404 2.224 5 40 HEBB CNS(=O)(=O)c1ccc(N[C@H](c2ccccc2)c2nccn2C)c([N+](=O)[O-])c1 12580109 RBKJBRMBWHCPTG-QGZVFWFLSA-N 401.448 2.438 5 40 HEBB COC(=O)c1cn([C@@H]2CCCC[C@H]2NC(=O)CCNc2ccccc2[N+](=O)[O-])nn1 40152498 FFRUZYFDYVYAKP-GDBMZVCRSA-N 416.438 2.075 5 40 HEBB COc1ccc([C@H]2N(C(C)=O)CCN2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 95471431 SJSRVTJFSXZMIS-IBGZPJMESA-N 419.459 2.463 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220086456 XYRYEVRAOVLAOT-UHFFFAOYSA-N 415.374 2.286 5 40 HEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 7940113 SOBNSCCQUPNREZ-ZDUSSCGKSA-N 413.386 2.138 5 40 HEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc(C)cc1 9634416 AFDLEQVPAHSTAJ-QQTULTPQSA-N 416.437 2.412 5 40 HEBB Cc1nn(CC(=O)OCc2nc3ccc(Cl)cc3n2CCO)c(C)c1[N+](=O)[O-] 12634568 JCPRQWBYPRLART-UHFFFAOYSA-N 407.814 2.147 5 40 HEBB Cc1cc(C)cc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])c1 28196675 YCIGAHOCZDAICH-UHFFFAOYSA-N 413.477 2.263 5 40 HEBB Cc1csc(Sc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])n1 36329885 KEQXZZCBSCWZCJ-UHFFFAOYSA-N 414.534 2.447 5 40 HEBB CCc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5OC)c(=O)c4cc3c2=O)n1 40399135 XRQZTFUGJFJSET-UHFFFAOYSA-N 414.425 2.379 5 40 HEBB COc1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC 220402705 LIZATFYCYGKVFH-LBPRGKRZSA-N 423.447 2.405 5 40 HEBB CCCCn1c(=O)[nH]c(=O)c2c1nc(COc1ccc(OC)cc1[N+](=O)[O-])n2CC 9367367 KJYAXBXCRQHUTA-UHFFFAOYSA-N 417.422 2.202 5 40 HEBB O=c1oc2cc(S(=O)(=O)N3CCCC3)ccc2n1Cc1ccc([N+](=O)[O-])cc1 11689651 RUBWQJSKPNXXHO-UHFFFAOYSA-N 403.416 2.336 5 40 HEBB O=C(NCc1ccc(-n2ccnc2)nc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 32802687 MWUOGOCNSPXYFO-UHFFFAOYSA-N 407.434 2.207 5 40 HEBB CCOC(=O)[C@]1(C(C)C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 619500146 MUHSQJIDEMGOAA-QGZVFWFLSA-N 400.453 2.203 5 40 HEBB COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2N2CCCN12 19169989 RGTVNUYCFJBVFN-OTWHNJEPSA-N 408.414 2.139 5 40 HEBB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccccc3[N+](=O)[O-])C1=O)CC2 102332268 MNFNWCIHCYLDKF-KRWDZBQOSA-N 411.414 2.302 5 40 HEBB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])nc2n1 9962088 YGDGXRRABJLZCZ-UHFFFAOYSA-N 404.770 2.098 5 40 HEBB CC(=O)N1CCN(c2ccc(C(=O)NCc3ccccc3F)cc2[N+](=O)[O-])CC1 12608212 IFIIWNTWQHNLHU-UHFFFAOYSA-N 400.410 2.332 5 40 HEBB COc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 19897870 ASUXZXZJCMGQLN-HXUWFJFHSA-N 415.446 2.172 5 40 HEBB O=C(NCCCN1CCCC1=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 36075294 WLQQWDTUXAFSAM-IEBWSBKVSA-N 400.479 2.255 5 40 HEBB CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3cccs3)c([N+](=O)[O-])c2)CC1 36329824 CVUUJLDXKCULEB-UHFFFAOYSA-N 410.521 2.229 5 40 HEBB Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1[N+](=O)[O-] 5633246 VSLNZCBQLKRQEY-UHFFFAOYSA-N 405.432 2.176 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1n[nH]c(=O)c2ccccc12 9244693 QSTZRGUUDCRYOU-JTQLQIEISA-N 412.358 2.024 5 40 HEBB C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)N1CCc2ccccc21 3544912 ANEKJDLSMZDSGT-GFCCVEGCSA-N 418.427 2.133 5 40 HEBB COC(=O)[C@](NNc1ccc([N+](=O)[O-])cc1)(NC(=O)c1ccccc1)C(F)(F)F 4602995 XSBPFPDJRSUULA-MRXNPFEDSA-N 412.324 2.373 5 40 HEBB Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 68675266 ZAKSGKTZJVEFKE-UHFFFAOYSA-N 409.376 2.400 5 40 HEBB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)N1CCOCC1 214284201 NIEFENNIYNYLTN-MDWZMJQESA-N 411.823 2.143 5 40 HEBB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 2617014 WIGSHJHQONPKGV-GFCCVEGCSA-N 418.427 2.133 5 40 HEBB O=C(NCc1ccccc1)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 25304889 QXGSIUGBICUSMU-FQEVSTJZSA-N 413.474 2.363 5 40 HEBB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 28727326 TZRCLQRXHHSAOO-GFCCVEGCSA-N 407.448 2.302 5 40 HEBB COCCn1c(-c2ccc([N+](=O)[O-])cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 2339998 QLQLRTWKAUUDLY-UHFFFAOYSA-N 406.398 2.470 5 40 HEBB C[C@@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)N1C(=O)c2ccccc2C1=O 3352121 HAZZQXIPVIKPLT-NSHDSACASA-N 412.354 2.189 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nnnn1-c1ccc(Cl)cc1 9571209 AUBZIGNOVFTKHC-UHFFFAOYSA-N 408.827 2.011 5 40 HEBB COc1cc(C=O)ccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 9580657 OJUXTKUIISQSNM-UHFFFAOYSA-N 422.415 2.229 5 40 HEBB CNc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1[N+](=O)[O-] 9507785 XUHOLAGROHBLLT-UHFFFAOYSA-N 418.431 2.081 5 40 HEBB COc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(C)cc1[N+](=O)[O-] 9616255 BJGBLCWACKRMOC-UHFFFAOYSA-N 422.463 2.213 5 40 HEBB O=C(OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1O 25022310 CIWJWTXEECJNSB-UHFFFAOYSA-N 419.821 2.459 5 40 HEBB Cn1cnc([N+](=O)[O-])c1N1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 31792230 JANKNAPXUDMUCG-SFHVURJKSA-N 412.494 2.204 5 40 HEBB Cc1cc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] 10375297 IQGPJWFBWCMJOT-UHFFFAOYSA-N 403.460 2.486 5 40 HEBB Cc1cccc(NC(=O)CSCC(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 22061507 RLKNFWLBJXFKID-KRWDZBQOSA-N 403.460 2.425 5 40 HEBB Cc1cccc(C(=O)N2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 32771390 CWVHKPOAHCFOTP-UHFFFAOYSA-N 403.460 2.440 5 40 HEBB CCn1cc(Br)c(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 2804293 QGFXQQMWZVKEPR-UHFFFAOYSA-N 403.258 2.394 5 40 HEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C=CC=NN3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O 6922140 MLVLTNRIXBWLPR-HZMVEIRTSA-N 410.430 2.232 5 40 HEBB COc1ccc(-c2nnc(O)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N3)cc1 10295346 HBZKEALWPCODCL-QGZVFWFLSA-N 418.373 2.447 5 40 HEBB O=[N+]([O-])c1c(O)nc(/C=C/c2ccc(O)c(I)c2)nc1O 409328197 PWOPHNWXTJSCPU-DUXPYHPUSA-N 401.116 2.277 5 40 HEBB C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1 4889921 KGPRHQFYZHZTNB-OAHLLOKOSA-N 413.430 2.466 5 40 HEBB O=C(NC[C@@H]1CCCO1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 5533980 KNKQDSADXZEVKA-INIZCTEOSA-N 405.432 2.304 5 40 HEBB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C 8517307 OAMNTLQQOMAFAF-UHFFFAOYSA-N 409.830 2.167 5 40 HEBB O=C(CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1)NC[C@@H]1CCCO1 8821967 QXWCEPMXPJPRIJ-JTQLQIEISA-N 423.476 2.086 5 40 HEBB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 36398278 TUUYXAMPMYFGOM-QGZVFWFLSA-N 407.386 2.467 5 40 HEBB O=[N+]([O-])c1ccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 89787932 SSBQQOZVBDEZRW-UHFFFAOYSA-N 423.403 2.103 5 40 HEBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] 104728968 NFUVVBMXYBZATR-UHFFFAOYSA-N 418.475 2.092 5 40 HEBB C[C@@H](C(=O)N1CCc2ccccc2C1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220403810 UPAYIFVJQYEVKE-AWEZNQCLSA-N 403.460 2.334 5 40 HEBB COc1ccc(-c2nc3s/c(=C\c4ccccc4[N+](=O)[O-])c(=O)n3n2)cc1OC 1315831 NRKOFMZECQEVIT-YBEGLDIGSA-N 410.411 2.291 5 40 HEBB CNc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] 15206815 OVQZYYDBTPWQMY-UHFFFAOYSA-N 417.447 2.235 5 40 HEBB CNS(=O)(=O)c1ccc(Oc2ccc(/C=C\C(=O)OC)cc2OC)c([N+](=O)[O-])c1 96988768 OTNQUECWUFAKNC-UITAMQMPSA-N 422.415 2.490 5 40 HEBB COC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224753409 ADYWQSCTOSJZJA-UHFFFAOYSA-N 422.415 2.058 5 40 HEBB COC[C@H](O)CSc1c([N+](=O)[O-])nc(C)n1Cc1ccc(OC)c([N+](=O)[O-])c1 8680777 YXOKNBXJOFBQLA-LBPRGKRZSA-N 412.424 2.164 5 40 HEBB Cc1cccc(C(=O)OCC(=O)N(C)C[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] 13159784 JRPMCYAOXCQINH-CQSZACIVSA-N 400.387 2.358 5 40 HEBB CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] 40114816 BESCTAVNROOUCL-QAPCUYQASA-N 424.523 2.311 5 40 HEBB O=C1[C@@H]2CCCCN2C(=O)N1CCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4661419 YLMKDSYMYDJBSC-IBGZPJMESA-N 415.494 2.314 5 40 HEBB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1 6094679 OPQOYAOPFBOVCG-UHFFFAOYSA-N 422.463 2.346 5 40 HEBB COC(=O)c1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 10369414 QLQHCBKUQMTYDM-UHFFFAOYSA-N 421.431 2.095 5 40 HEBB O=C(CNc1ccc(F)c([N+](=O)[O-])c1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11160786 JFDARBMSPXWJRW-OAHLLOKOSA-N 407.423 2.366 5 40 HEBB Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C(=O)N1CCC(C(N)=O)CC1 27299218 KAHZBCLKRXBBFN-UHFFFAOYSA-N 410.430 2.493 5 40 HEBB COCCNC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1C 408601380 GEMRAHYCMLOWCX-UHFFFAOYSA-N 407.448 2.389 5 40 HEBB O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 19298443 BQPVNGPYPFNLFZ-GOSISDBHSA-N 414.370 2.080 5 40 HEBB O=c1nc[nH]c2cc(NCCN3CCN(c4ccc(F)cc4)CC3)c([N+](=O)[O-])cc12 29619006 YLAKNAHLDPGIPH-UHFFFAOYSA-N 412.425 2.205 5 40 HEBB COc1ccc(OC)c(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@@H]23)c1 102885071 WZUUZSSWXMLOCE-FUHWJXTLSA-N 411.370 2.213 5 40 HEBB CCOC(=O)C1=C(COC(=O)c2ccc([N+](=O)[O-])cc2)NC(=O)N[C@H]1c1ccco1 18186833 AAFUZJMAHKHARV-INIZCTEOSA-N 415.358 2.216 5 40 HEBB O=C1N=C2N(CCN3CCOCC3)c3ccccc3N2/C1=C/c1ccc([N+](=O)[O-])cc1 19939299 CMRUCMMQIBGYDO-HMMYKYKNSA-N 419.441 2.491 5 40 HEBB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] 20003089 RHLDMDPUIRIGKO-GFCCVEGCSA-N 403.420 2.224 5 40 HEBB Cc1c(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 35686186 CHRHCVQZYATWEQ-UHFFFAOYSA-N 406.395 2.333 5 40 HEBB C[C@@H]1CN(C(=S)S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)C[C@@H](C)O1 227003804 PAXVYQBQXSRDCW-GYSYKLTISA-N 409.489 2.354 5 40 HEBB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-] 6509368 PXAYXPGSJDKTOZ-IZZDOVSWSA-N 415.377 2.387 5 40 HEBB CCOc1ccc(N2C[C@H](NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 5222096 JMCDYBLOZHRQOD-CYBMUJFWSA-N 405.432 2.077 5 40 HEBB C[C@@]1(NC(=O)COc2ccc([N+](=O)[O-])cc2Cc2ccccc2)CCS(=O)(=O)C1 16458995 OKVCCKSUCYIRBR-HXUWFJFHSA-N 418.471 2.258 5 40 HEBB COC[C@@H](C)NS(=O)(=O)c1ccc(Nc2ccc(N(C)C)nc2)c([N+](=O)[O-])c1 32899477 RASDRKKIDPJWIH-GFCCVEGCSA-N 409.468 2.113 5 40 HEBB COC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225090791 UOBRWKDLSFJXAY-UHFFFAOYSA-N 422.415 2.058 5 40 HEBB CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@@H]2COC(=O)c1ccc([N+](=O)[O-])cc1 245229916 IKRMVZVASOBSSJ-HNLJFRNMSA-N 409.391 2.148 5 40 HEBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCCOc1cccc(Cl)c1 7979874 UKLYXYCPUMLKCV-UHFFFAOYSA-N 404.762 2.466 5 40 HEBB COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)n2N)cc1 3406367 YLVCKZJRFJAIPV-UHFFFAOYSA-N 418.410 2.446 5 40 HEBB COC[C@H](C)NS(=O)(=O)c1ccc(Sc2nnc3ccccn23)c([N+](=O)[O-])c1 9646081 OJARFZKFSULTTC-NSHDSACASA-N 423.476 2.102 5 40 HEBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N2CCC[C@H](C(N)=O)C2)cc1 12553692 VVDFMZXLAJOGAB-HNNXBMFYSA-N 413.430 2.373 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 15360712 UKYWKXRXPZKXPP-UHFFFAOYSA-N 417.487 2.345 5 40 HEBB COc1ccc(CNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220405570 OLYLAWCCBNYPEA-CYBMUJFWSA-N 407.448 2.074 5 40 HEBB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2cc([N+](=O)[O-])ccc2OC)cc1 224599537 IRJBVIPHIKFUAW-UHFFFAOYSA-N 424.431 2.370 5 40 HEBB COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccccc1[N+](=O)[O-] 3636603 WWWVAEOOKGLDFK-XHDPSFHLSA-N 405.432 2.433 5 40 HEBB Cc1cc(C(=O)N(C)Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)ccc1[N+](=O)[O-] 6984050 VDRAEOWATJMTRD-INIZCTEOSA-N 420.491 2.348 5 40 HEBB COc1ccc(C(=O)O)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20142679 LJWQZAVBTAVLSF-UHFFFAOYSA-N 401.375 2.391 5 40 HEBB CCOc1ccc(N2C[C@H](C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 29697151 LHRDXDHNPKJQBA-BEFAXECRSA-N 413.430 2.196 5 40 HEBB CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2n1 1087563 HBCHRIVLIAUGPA-YBEGLDIGSA-N 408.395 2.199 5 40 HEBB COCCn1c(=S)[nH]c(=O)c2c(C(=O)O)cc(-c3cccc([N+](=O)[O-])c3)nc21 36617213 WZPQOJKAYJCZPZ-UHFFFAOYSA-N 402.388 2.374 5 40 HEBB COC(=O)/C=C/c1ccc(NCCCN2CCC(C(=O)OC)CC2)c([N+](=O)[O-])c1 95951807 HSCXDFPMWDIVLO-FNORWQNLSA-N 405.451 2.468 5 40 HEBB COc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)cc1[N+](=O)[O-] 4476616 WIBHKBYVQRDCHS-FQEVSTJZSA-N 412.402 2.318 5 40 HEBB C[C@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)Nc1ccccc1[N+](=O)[O-] 5239785 OKVCUKYWXGJIKC-STQMWFEESA-N 401.375 2.107 5 40 HEBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1[N+](=O)[O-] 8410824 LKDOIOGZCUCOLN-UHFFFAOYSA-N 411.370 2.352 5 40 HEBB O=C(COc1ccccc1[N+](=O)[O-])N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 8916203 ZOOBINOAHHAQIZ-MRXNPFEDSA-N 422.434 2.329 5 40 HEBB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N(C)C(=O)N1C 13041409 QFRHTDXSBONCNB-INIZCTEOSA-N 408.842 2.419 5 40 HEBB COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(N(C)S(C)(=O)=O)cc1OC 13582656 KLSHOZSBJBCVEJ-UHFFFAOYSA-N 409.420 2.260 5 40 HEBB Cc1c(O[C@H](C)C(=O)NCCN2CCOCC2)ccc2c1oc(=O)c1ccccc12 20533607 QQEDUAWECGZXEW-MRXNPFEDSA-N 410.470 2.470 5 40 HEBB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCc1ccccc1N1CCCC1 40158513 IHDHHNUYVZICID-UHFFFAOYSA-N 410.430 2.237 5 40 HEBB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCCc2c1cccc2[N+](=O)[O-] 89400560 MMANFTGVMQAJOQ-FQEVSTJZSA-N 409.442 2.474 5 40 HEBB COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)c1OC 101280580 HYJZTRGMCUCHGI-QAPCUYQASA-N 411.370 2.213 5 40 HEBB COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224785075 TXCRBCLSPROHDT-UHFFFAOYSA-N 423.403 2.488 5 40 HEBB CC1CCC(NC(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 6832162 XUSSOJZTDPWVDR-UHFFFAOYSA-N 405.451 2.283 5 40 HEBB Cc1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cccc1[N+](=O)[O-] 8269940 CBVDPMHQCDUUCI-UHFFFAOYSA-N 405.432 2.176 5 40 HEBB Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc(-n2cc([N+](=O)[O-])cn2)n1 10215046 ATVJFTYDWLWOOP-UHFFFAOYSA-N 410.394 2.114 5 40 HEBB COc1ccc(F)cc1CN1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 12944394 VECPCFZKUZUZLZ-UHFFFAOYSA-N 416.409 2.426 5 40 HEBB Cc1ccc(S(=O)(=O)Nc2n[nH]nc2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 8694927 VHCBFEVFELWVBR-UHFFFAOYSA-N 402.392 2.074 5 40 HEBB Cc1cc(C)nc(-n2[nH]c3[nH]c(C)c(Cc4ccc([N+](=O)[O-])cc4)c(=O)c3c2=O)n1 9926406 XXVLYUDVTOZIJZ-UHFFFAOYSA-N 406.402 2.221 5 40 HEBB COc1cccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 7718530 GNJYLGZWPQCFLP-IAGOWNOFSA-N 403.416 2.216 5 40 HEBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 23108111 JAPJWIDCIXREEC-GOSISDBHSA-N 409.439 2.086 5 40 HEBB C[C@H](CCc1ccccc1)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 9667723 UWPCREPRJSASJQ-OAHLLOKOSA-N 405.476 2.498 5 40 HEBB COc1cccc(-c2nnc(O)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N3)c1 10296837 OWYDTSQKCKMPNY-QGZVFWFLSA-N 418.373 2.447 5 40 HEBB CNc1nnc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c3c(N)scc23)s1 16189508 SZLZIVXHEWOSTO-UHFFFAOYSA-N 401.433 2.498 5 40 HEBB COc1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2N2CCCN12 102707003 RGTVNUYCFJBVFN-CEXWTWQISA-N 408.414 2.139 5 40 HEBB CC1(C)O[C@@H]2O[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 245229917 IKRMVZVASOBSSJ-NMNMXBMNSA-N 409.391 2.148 5 40 HEBB COc1ccccc1N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)CC1 408559223 YHECJRZVNRHCBE-UHFFFAOYSA-N 400.435 2.373 5 40 HEBB CCOC(=O)c1nn(CC)cc1NC(=O)Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1C 2730677 JSAIXJRHLVDKJK-UHFFFAOYSA-N 418.332 2.150 5 40 HEBB CCOC(=O)[C@H]1CCCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])C1 5688591 BVEQABXNXXBSPJ-AWEZNQCLSA-N 413.496 2.405 5 40 HEBB COc1ccc(N2C(=S)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 12421621 RCSJUGSZMPORPK-DLBZAZTESA-N 419.484 2.381 5 40 HEBB O=C(NC[C@@H]1CS(=O)(=O)CCO1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 95454257 JBXKODIAIXILOG-LLVKDONJSA-N 414.823 2.052 5 40 HEBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4O[C@@H]([C@H]5ON=C(c6cccc([N+](=O)[O-])c6)[C@H]45)[C@@H]3C2=O)cc1 103524191 HQPFZCOCKIJOOR-QWFGBESBSA-N 419.393 2.209 5 40 HEBB CCO[C@@H](C)C(=O)OC[C@H](C(=O)OC1C[C@@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)c1ccccc1 104325509 BWDLFAFAWSQDLQ-FHWWAECRSA-N 418.510 2.039 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 408609356 SQLVZENDSUXUDK-UHFFFAOYSA-N 419.459 2.485 5 40 HEBB COC(=O)c1cc(C(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)cc([N+](=O)[O-])c1 3254891 QMSVBTWFPRVEMS-UHFFFAOYSA-N 418.358 2.194 5 40 HEBB C[C@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 10025481 GXDSOXOUQGDADC-LBPRGKRZSA-N 419.821 2.226 5 40 HEBB O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 229655671 PTAAMSSDVVNNBX-SUWCGCSTSA-N 418.409 2.026 5 40 HEBB COc1ccc(CCNC(=O)COC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC 1939391 QTGJGUMLMRZGBI-UHFFFAOYSA-N 402.403 2.436 5 40 HEBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 6236812 FHIPRJVMIBPPSM-UHFFFAOYSA-N 409.851 2.395 5 40 HEBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](C)Cn1ccnc1 48235836 DGLPAKBIXVQWAP-MLGOLLRUSA-N 407.858 2.404 5 40 HEBB NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2NC(=O)c2cccs2)CC1 3671765 JDVFLUCJIHRLPY-UHFFFAOYSA-N 402.432 2.246 5 40 HEBB O=C(CSc1nc(=O)n(CCCO)c2c1CCCC2)Nc1ccc([N+](=O)[O-])cc1 10275716 FDWDZFAYFHKVSH-UHFFFAOYSA-N 418.475 2.144 5 40 HEBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN(C(=O)N2CCCC2)CC1 12607481 FVGYMYXXUJAWHL-UHFFFAOYSA-N 415.494 2.171 5 40 HEBB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] 554871499 UMXYNVRIFKFSTP-QGZVFWFLSA-N 410.434 2.393 5 40 HEBB O=C1[C@H]2CCCCN2C(=O)N1CCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4661420 YLMKDSYMYDJBSC-LJQANCHMSA-N 415.494 2.314 5 40 HEBB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1 5708727 ZXYCUDWIQKNHED-GJZGRUSLSA-N 405.451 2.093 5 40 HEBB COc1ccc(OC)c(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 10358440 KNWFKJDUEQXROF-UHFFFAOYSA-N 423.447 2.325 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCCN(c3ccc([N+](=O)[O-])c4nonc34)CC2)cc1 11376313 GXWMETLBRIATJK-UHFFFAOYSA-N 417.447 2.340 5 40 HEBB NC(=O)c1c(NC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCC2 16429241 PAPPTVKBYRXXLQ-UHFFFAOYSA-N 420.472 2.136 5 40 HEBB CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1ccc(C(=O)O)cc1)C2=O 4753691 PPRHXOHVHXABGS-KRWDZBQOSA-N 408.370 2.290 5 40 HEBB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 85342885 ZJFJDFRJAQBKLZ-UHFFFAOYSA-N 405.388 2.437 5 40 HEBB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)c(OC)c1 104067901 HQFBSTJYGJNOAN-FUHWJXTLSA-N 411.370 2.213 5 40 HEBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1ccc(N2CCOCC2)cc1 6533687 RPTHKUNWNOZKPK-CYBMUJFWSA-N 414.418 2.198 5 40 HEBB O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 7805280 ZLRKCQLCAKDWQI-UHFFFAOYSA-N 415.427 2.488 5 40 HEBB COc1cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c([N+](=O)[O-])cc1OC 9569125 CKLRRRYIRRWPTR-UHFFFAOYSA-N 421.431 2.404 5 40 HEBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1cccnc1Cl 9982686 SGTHDDBPEGFXSR-UHFFFAOYSA-N 420.809 2.275 5 40 HEBB Cc1ccc(C(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc1[N+](=O)[O-] 48311075 FKWKKONXIBJDEE-UHFFFAOYSA-N 404.511 2.459 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 8286444 BMAOYVYWUUJKLF-UHFFFAOYSA-N 405.432 2.176 5 40 HEBB COc1ccc([C@H]2c3c(-c4cccc([N+](=O)[O-])c4)nnc(O)c3Nc3nnnn32)cc1 10296463 JZQSKUJFJGURGZ-KRWDZBQOSA-N 418.373 2.447 5 40 HEBB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)O2 38859777 OQUYGVCFMPBDPG-KRWDZBQOSA-N 405.432 2.377 5 40 HEBB Cc1cccc(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)c1[N+](=O)[O-] 53776392 DTHMQIXGWMTVEX-UHFFFAOYSA-N 408.458 2.250 5 40 HEBB O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5087716 AASVFUYNMRKLEW-MRXNPFEDSA-N 409.446 2.232 5 40 HEBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9612960 IJRZWHAMBILDBC-UHFFFAOYSA-N 411.461 2.180 5 40 HEBB Cc1cc(O)c(C(c2cccc([N+](=O)[O-])c2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C 10217723 IMOKYMIRKNHWTF-UHFFFAOYSA-N 411.414 2.200 5 40 HEBB CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccc(F)cc2)c1=N 101165048 LWRHTMZWJNGCIT-UHFFFAOYSA-N 405.433 2.374 5 40 HEBB NC(=O)c1c(NC(=O)COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCC2 6654386 IUVULIKOPVAIRB-BQYQJAHWSA-N 415.427 2.439 5 40 HEBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 8286309 COBKJFIUEWJUBS-MRXNPFEDSA-N 405.432 2.304 5 40 HEBB CCOC(=O)c1sc2c(c1C)c(=O)n(C)c(=O)n2Cc1ccc([N+](=O)[O-])cc1 9183652 LCKZLLAWAWIKHV-UHFFFAOYSA-N 403.416 2.203 5 40 HEBB O=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 20413957 ZBZRFDRFKFJXGB-UHFFFAOYSA-N 412.446 2.299 5 40 HEBB COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225076341 WVZFVEGDZQUKKQ-UHFFFAOYSA-N 424.431 2.289 5 40 HEBB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N(C)C1=S 409215295 WZOMHPSFJTVTHT-ZROIWOOFSA-N 401.400 2.428 5 40 HEBB CCCc1[nH]nc(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)c1[N+](=O)[O-] 542011408 NKPHOMRONUSDKT-INIZCTEOSA-N 401.467 2.157 5 40 HEBB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1cccc([N+](=O)[O-])c1 4166026 SBHYMNBWNOWMLA-UHFFFAOYSA-N 408.349 2.268 5 40 HEBB O=C(COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCC1=CCCCC1 5956902 JVVIHKCWKWKEEU-UHFFFAOYSA-N 403.435 2.265 5 40 HEBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N3CCC[C@H](CO)C3)c([N+](=O)[O-])c2)C1 8177915 GXIQHGJPCNMDLY-XHSDSOJGSA-N 411.524 2.470 5 40 HEBB CC(=O)Nc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 10433937 ZRSZUJRRJWFAJJ-UHFFFAOYSA-N 420.447 2.266 5 40 HEBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225009317 WWABWZUHRXTVSX-UHFFFAOYSA-N 409.376 2.180 5 40 HEBB CCOC(=O)C1=C(C)n2c(sc(=C(C)C)c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])cc1 408731231 LIWVJCDRSZMCTQ-OAHLLOKOSA-N 401.444 2.177 5 40 HEBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1[N+](=O)[O-] 7940088 BTQVQUFRGVKMRT-CYBMUJFWSA-N 401.375 2.027 5 40 HEBB CCCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 84755174 CJOJKEXESBRWJU-CYBMUJFWSA-N 410.452 2.052 5 40 HEBB Cc1c(N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)cccc1[N+](=O)[O-] 220028307 NWFWNLLUXSQSTO-UHFFFAOYSA-N 403.526 2.317 5 40 HEBB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4569431 OHLKQEUEJQZRSX-MRXNPFEDSA-N 419.459 2.187 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 409252151 QXGXSNHCVKLRSW-UHFFFAOYSA-N 408.392 2.216 5 40 HEBB COc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1 40115944 CNPRBALOWOHNRD-UKRRQHHQSA-N 409.395 2.239 5 40 HEBB COC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220401668 TURBXKCQKRJFMA-GFCCVEGCSA-N 421.431 2.175 5 40 HEBB O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408679648 GUDXVFWLFZLXMJ-YJBOKZPZSA-N 423.425 2.097 5 40 HEBB O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 4497625 MMABRUWLBDXZOZ-JBGNVSFKSA-N 409.398 2.301 5 40 HEBB C[C@@H](c1nc(C2CC2)no1)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 40153583 CVICYZRPWNDSSK-LBPRGKRZSA-N 421.479 2.142 5 40 HEBB COC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224782616 HHPYYHMZORHUFN-UHFFFAOYSA-N 422.415 2.043 5 40 HEBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224898822 CDNYKWIUUPWCMH-UHFFFAOYSA-N 421.431 2.312 5 40 HEBB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 15717904 ZAUUIDUDYYLPSH-BJMVGYQFSA-N 401.444 2.448 5 40 HEBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C)c2=N)cc1C 100942124 CDLXEKRQGWIAKD-UHFFFAOYSA-N 408.483 2.424 5 40 HEBB O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 6508683 GKJHNAVYVOSHLY-UHFFFAOYSA-N 414.349 2.085 5 40 HEBB COc1cc(NC(=O)COC(=O)c2ccc(NC(N)=O)cc2)c(C)cc1[N+](=O)[O-] 9613188 FZVPXRJETLJFQI-UHFFFAOYSA-N 402.363 2.198 5 40 HEBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(OC)c2c(c1)OCCO2 17184547 GOQLZYPTOTYBHB-UHFFFAOYSA-N 418.358 2.179 5 40 HEBB C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 42236756 LCAVERBOYSYSMP-SNQZOLJRSA-N 408.458 2.462 5 40 HEBB COc1ccc(-c2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1OC 1316691 IMXHGNYOPSCZAK-SXGWCWSVSA-N 410.411 2.291 5 40 HEBB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 7363435 LVKJDDQXOIPQIM-UHFFFAOYSA-N 407.448 2.470 5 40 HEBB CCN(CC)S(=O)(=O)c1ccc(N2CCc3nc(N)sc3C2)c([N+](=O)[O-])c1 32916214 QHHVPRVNHZAXMO-UHFFFAOYSA-N 411.509 2.227 5 40 HEBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@H](C)C(C)C)S(C)(=O)=O 260895184 HDDLHNNIGMETKO-CYBMUJFWSA-N 401.485 2.310 5 40 HEBB CC(C)(C)c1n[nH]c(SCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 12106285 GOIYBAWAAZYVHA-UHFFFAOYSA-N 404.496 2.451 5 40 HEBB O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H](c1cccs1)N1CCOCC1 22405948 QTEPMQAWHRYEKU-KRWDZBQOSA-N 419.507 2.441 5 40 HEBB COc1ccc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1 40115946 CNPRBALOWOHNRD-DZGCQCFKSA-N 409.395 2.239 5 40 HEBB COC(=O)[C@H](C)[C@@H](NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 79012878 GYSGNHFVCYBQSW-SJKOYZFVSA-N 408.432 2.432 5 40 HEBB O=C(NC[C@@H]1CCCO1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 199407938 ZZAQZQNKFVUJIW-RDJZCZTQSA-N 419.821 2.129 5 40 HEBB COc1cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc(OC)c1OC 36190805 ZESRBNPTDXZXTG-UHFFFAOYSA-N 407.404 2.453 5 40 HEBB CC(=O)Nc1ccc(NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1 5400835 DXVVVFVOXZVJHZ-UHFFFAOYSA-N 407.386 2.416 5 40 HEBB O=C(O)[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2cc(Cl)ccc2O1 6183030 IZOYMKYDTFRNHP-OAHLLOKOSA-N 412.807 2.430 5 40 HEBB C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCN(C)CC1 23181887 LKACAHQFTOBJDC-KDOFPFPSSA-N 424.548 2.312 5 40 HEBB Cc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n(-c2nc(=O)c3c([nH]2)CCC3)n1 7423087 GKJRLZYJTAPEHM-JXMROGBWSA-N 406.402 2.313 5 40 HEBB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 20460514 DAGQCFDLDSPENP-UHFFFAOYSA-N 408.388 2.110 5 40 HEBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CC(=O)N(Cc2ccco2)C1 5203939 AGNXXBNNGKJRHM-GFCCVEGCSA-N 402.359 2.146 5 40 HEBB CCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccccc3[N+](=O)[O-])nc21 10188005 XVFDHGITKFMOLF-UHFFFAOYSA-N 420.385 2.182 5 40 HEBB Cc1cc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)ccc1[N+](=O)[O-] 16964290 YNFWZJLPUSVIIX-LJQANCHMSA-N 411.414 2.170 5 40 HEBB COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N3)cc1 20717688 YVVHJZHJQYFDLJ-OAHLLOKOSA-N 408.374 2.384 5 40 HEBB O=C1NCCCC[C@H]1Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 48302502 SEZOPZHAEABBMY-MRXNPFEDSA-N 410.496 2.240 5 40 HEBB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1S(N)(=O)=O 20629543 MCGCGCXBQWKAPB-UHFFFAOYSA-N 405.841 2.005 5 40 HEBB COc1ccc(NC(=O)[C@H](C)N2CCN(C(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 24671911 HIGVMKYVJRLPPS-ZDUSSCGKSA-N 418.475 2.450 5 40 HEBB COC(=O)c1ccc(Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)cc1 32782631 VPEAGFFFKXPNRM-UHFFFAOYSA-N 405.370 2.325 5 40 HEBB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220414826 LHKBJWQBHXVBKU-LBPRGKRZSA-N 421.431 2.175 5 40 HEBB COc1ccc(N2C(=S)N(c3ccc([N+](=O)[O-])cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 12421624 RCSJUGSZMPORPK-SJORKVTESA-N 419.484 2.381 5 40 HEBB COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1N1C(=O)CCC1=O 225494027 CVDHREQFPDVVGT-UHFFFAOYSA-N 405.388 2.058 5 40 HEBB COc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1[N+](=O)[O-] 8870273 UHSDHJXMDMOPSP-HNNXBMFYSA-N 419.415 2.059 5 40 HEBB CC(C)NS(=O)(=O)c1ccc(N2CCN(c3nccs3)CC2)c([N+](=O)[O-])c1 12634559 JHKZEGZBWKYQLA-UHFFFAOYSA-N 411.509 2.065 5 40 HEBB CC(C)Oc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 20451223 LMYORCAYCJOOIH-UHFFFAOYSA-N 421.475 2.464 5 40 HEBB CCCn1ccc2nc3ccn(-c4[nH]nc(C)c4C(=O)OCC)c(=O)c3cc2c1=O 40399086 PSOLTTLBKTVWTJ-UHFFFAOYSA-N 407.430 2.319 5 40 HEBB COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1cccc([N+](=O)[O-])c1 2249253 MCLWAGRRMDJQST-XHDPSFHLSA-N 405.432 2.433 5 40 HEBB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 4940686 LTMKUEOTGHZFEM-UHFFFAOYSA-N 409.807 2.422 5 40 HEBB CC[C@]1(c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)CCC(=O)NC1=O 5260011 RMSPKJUJIDQXMD-LJQANCHMSA-N 417.443 2.480 5 40 HEBB COc1ccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1 40115942 CNPRBALOWOHNRD-ZFWWWQNUSA-N 409.395 2.239 5 40 HEBB O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 5447445 FHYHFGJVVNJYIH-AWEZNQCLSA-N 405.432 2.304 5 40 HEBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cccs2)CC1 5613263 NTDGEJHVMFIOKU-VOTSOKGWSA-N 407.473 2.203 5 40 HEBB O=C(NCc1ccccc1)C1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 12977904 VWNHMNCJQDLHKT-UHFFFAOYSA-N 407.430 2.136 5 40 HEBB COC(=O)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1cc(F)ccc1F 58316799 JTGFYYSFFJQIRC-OAHLLOKOSA-N 416.358 2.074 5 40 HEBB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220419615 SLFFQWMBMJZKJB-CQSZACIVSA-N 421.475 2.464 5 40 HEBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1nnc2ccccn12 31499552 FNOXCPGWKJZPBO-QGZVFWFLSA-N 422.445 2.451 5 40 HEBB COCCCNC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 219823505 ZOYZEACGLIKRAQ-UHFFFAOYSA-N 417.418 2.387 5 40 HEBB O=C(NCCCn1ccnc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 3766437 NSEOXTGGCZAAKE-GHRIWEEISA-N 409.402 2.362 5 40 HEBB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-] 6376967 GGJBTAWSWJLKFE-INIZCTEOSA-N 407.354 2.263 5 40 HEBB COc1ccc(C)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO 6533052 YPXNSWNIIAKXGV-UHFFFAOYSA-N 403.391 2.112 5 40 HEBB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)CC2 102332168 YAKZLLQHIBDTLG-KRWDZBQOSA-N 411.414 2.302 5 40 HEBB COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225077741 DHOPDGBJOZNBFW-UHFFFAOYSA-N 424.431 2.289 5 40 HEBB C[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2S1(=O)=O 4940842 FFRFXRRSTSZCIO-SECBINFHSA-N 409.807 2.420 5 40 HEBB COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)cc1 5025304 HMJJIGXNNXSZEZ-QGZVFWFLSA-N 404.444 2.433 5 40 HEBB CCN(CC(=O)NCc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 5688211 FELHILUTPHPVOD-UHFFFAOYSA-N 409.439 2.280 5 40 HEBB Cc1cccc(OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 9588249 SACPRWJGMDCCEL-UHFFFAOYSA-N 422.459 2.382 5 40 HEBB CN(C)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc([N+](=O)[O-])ccc3n2C)cc1 11726406 AQSULAZKCVFLHP-ISLYRVAYSA-N 420.472 2.139 5 40 HEBB CN1CCN(S(=O)(=O)c2ccc(Sc3nccn3C3CC3)c([N+](=O)[O-])c2)CC1 14322493 TVRVMCJDSCUTFM-UHFFFAOYSA-N 423.520 2.214 5 40 HEBB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1csc([N+](=O)[O-])c1 40134469 CVTVQYDYRFWOIX-UHFFFAOYSA-N 405.417 2.499 5 40 HEBB COc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1[N+](=O)[O-] 8870274 UHSDHJXMDMOPSP-OAHLLOKOSA-N 419.415 2.059 5 40 HEBB COC(=O)[C@H]1Sc2nc(O)sc2[C@H](c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)OC 4124480 DERPYVWALNEHPB-FOGDFJRCSA-N 410.429 2.325 5 40 HEBB O=C(N1CCN(c2ccc(-n3cnnc3)cc2[N+](=O)[O-])CC1)C(Cl)(Cl)Cl 70461918 VPHZWNRTYFKQGD-UHFFFAOYSA-N 419.656 2.194 5 40 HEBB O=C(O)CN1C(=O)S/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C1=O 409146813 LDPAUGOFHIRJFL-FPYGCLRLSA-N 403.166 2.184 5 40 HEBB COc1c(F)cc(S(=O)(=O)NC[C@@H](c2ccnn2C)C(C)C)cc1[N+](=O)[O-] 615947366 VCAMEFDECCTVMZ-GFCCVEGCSA-N 400.432 2.194 5 40 HEBB CCN(C[C@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] 12565310 JLQOSEMPTDQVIY-ZDUSSCGKSA-N 407.448 2.169 5 40 HEBB COc1ccc(OC)c2c1CN(Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)C[C@H]2O 29543594 LDVQRGCUVLSDLS-MRXNPFEDSA-N 411.418 2.377 5 40 HEBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224755934 SHECKZBZYXFCJO-UHFFFAOYSA-N 409.376 2.180 5 40 HEBB O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 7728409 YSNNUWHHLXMIRJ-ZDUSSCGKSA-N 405.432 2.304 5 40 HEBB Cc1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]2CCS(=O)(=O)C2)o1 8916235 AAIKGZATIITXBI-AWEZNQCLSA-N 408.432 2.091 5 40 HEBB COc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1 12527539 WWIUGMROBOMNQT-UHFFFAOYSA-N 421.475 2.261 5 40 HEBB COC(=O)c1cc(C(=O)N[C@@](C)(C(=O)OC)c2cc(F)ccc2F)cc([N+](=O)[O-])c1 58247067 JUNNRIZVTAMDSS-LJQANCHMSA-N 422.340 2.478 5 40 HEBB CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 67286238 SRBGDPKPDFHXJP-GOSISDBHSA-N 402.451 2.498 5 40 HEBB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc([N+](=O)[O-])ccc2OC)cc1C 224652085 ZOZJCCDJXRBRRS-UHFFFAOYSA-N 410.404 2.200 5 40 HEBB C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]12 409332014 GIVYRJYPQZIHKZ-GPHNJDIKSA-N 406.394 2.457 5 40 HEBB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 8433888 OUKXEGBCEJWNLJ-CYBMUJFWSA-N 413.386 2.138 5 40 HEBB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c([N+](=O)[O-])c1 23106833 YKMIEZAYMPRJJK-INIZCTEOSA-N 418.475 2.093 5 40 HEBB CCC(CC)[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCOCC1 27369978 XAOXCHFGXZLRPJ-IBGZPJMESA-N 407.515 2.443 5 40 HEBB Cc1ccc([C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N2CCOCC2)o1 32853489 CDIRGRQWRZDKAB-KRWDZBQOSA-N 409.464 2.385 5 40 HEBB COc1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 33382662 UAVHKZXTLBSJMO-UHFFFAOYSA-N 409.420 2.017 5 40 HEBB O=C(c1cc(N2CCNCC2)c2nc3ccccc3c(=O)n2c1)c1ccccc1O 8986744 HCJVJLYCROZEQB-UHFFFAOYSA-N 400.438 2.194 5 40 HEBB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc([N+](=O)[O-])o2)c(=O)[nH]c1=O 15934644 XWOPHRSJNAHICW-UHFFFAOYSA-N 407.427 2.113 5 40 HEBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)N[C@H](C)C1CC1 42171762 XYHPIZBRYKCIPT-GFCCVEGCSA-N 402.407 2.251 5 40 HEBB Cc1cccn2c(=O)c3cc(C(=O)NC(C)C)c(=N)n(Cc4ccncc4)c3nc12 101116339 HKZHFCQAUFSCMS-UHFFFAOYSA-N 402.458 2.019 5 40 HEBB aggregator CSc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(F)cc2)cc1[N+](=O)[O-] 7974684 JLGCWLWLSXVBIN-UHFFFAOYSA-N 414.436 2.478 5 40 HEBB O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 8916200 CWKNEECPHOGKAI-HNNXBMFYSA-N 422.434 2.329 5 40 HEBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1cccc(F)c1 12521676 FHEIFUFZXWDONY-UHFFFAOYSA-N 403.366 2.366 5 40 HEBB CCOC(=O)[C@H]1CCCN(c2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1 15208599 SUOXDGVFXBUEMN-ZDUSSCGKSA-N 413.496 2.451 5 40 HEBB CCN1CCN(Cc2ccccc2CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 41629251 IPWIMURQCMPYRB-UHFFFAOYSA-N 418.519 2.211 5 40 HEBB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220409366 RBPHLYHFKUUJJJ-GFCCVEGCSA-N 421.431 2.159 5 40 HEBB COc1c(F)cc(S(=O)(=O)NC[C@H](c2ccnn2C)C(C)C)cc1[N+](=O)[O-] 615947370 VCAMEFDECCTVMZ-LBPRGKRZSA-N 400.432 2.194 5 40 HEBB Nc1nc(N2CCCCC2)nc2c1[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2 20799913 GCVLQQFRTDXGFW-LLVKDONJSA-N 411.422 2.022 5 40 HEBB CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])CC2 555290655 RYJYCILOCZMQPC-OAHLLOKOSA-N 403.464 2.423 5 40 HEBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 2654407 CMLJIOKSJUHBIN-UHFFFAOYSA-N 411.461 2.180 5 40 HEBB COc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 16215661 TWXZVMUIQPVAQZ-UHFFFAOYSA-N 414.823 2.279 5 40 HEBB CCCn1nnc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 57316553 XLGSLIYDGBXSRM-UHFFFAOYSA-N 401.408 2.378 5 40 HEBB Cc1c(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 78821875 SZQBQSTZVREVHO-XIKOKIGWSA-N 419.459 2.153 5 40 HEBB CCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cc(S(N)(=O)=O)ccc21 101061435 OKCXNXYEKLGFRR-ICFOKQHNSA-N 410.433 2.003 5 40 HEBB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 40049844 HFKYDBOOHXZIPH-INIZCTEOSA-N 409.851 2.110 5 40 HEBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 7940112 SOBNSCCQUPNREZ-CYBMUJFWSA-N 413.386 2.138 5 40 HEBB C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 8038761 CSDAJIPTNWMUHE-ZBFHGGJFSA-N 411.414 2.368 5 40 HEBB C[C@H](OC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 10595196 GPDGLKFKJOWETH-JTQLQIEISA-N 413.308 2.346 5 40 HEBB Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 10656588 OVIPLAIWWGZKOB-SFHVURJKSA-N 411.393 2.103 5 40 HEBB Cc1ccc(Nc2nc(N)nc(CN3CCN(c4ccc([N+](=O)[O-])nc4)CC3)n2)cc1 26486623 ULWIDQDNXRWBLP-UHFFFAOYSA-N 421.465 2.131 5 40 HEBB O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN12 33897763 WZBGXKYTPCROJF-YRXWBPOGSA-N 405.410 2.430 5 40 HEBB CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225025139 ITTQBSFHCZIDQM-UHFFFAOYSA-N 424.431 2.370 5 40 HEBB COC(=O)[C@@H](C(=O)C(=O)Nc1ccccc1C)c1nc2ccc([N+](=O)[O-])cc2nc1O 8659605 VPTLVUHZPYJLOO-OAHLLOKOSA-N 424.369 2.016 5 40 HEBB Nc1nc(CSc2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)nc(N2CCCCC2)n1 12374669 ABFIIZHXKKOAJJ-UHFFFAOYSA-N 413.467 2.430 5 40 HEBB CN1C(=O)c2ccc(NC(=O)COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2C1=O 25376213 MXZRUQQAAFKMAO-UHFFFAOYSA-N 417.761 2.270 5 40 HEBB COc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3cc([N+](=O)[O-])ccc3Cl)s2)cc1 9283196 BDEZEZBWEUNPDI-BEQMOXJMSA-N 416.842 2.499 5 40 HEBB CC(=O)N1CCC(Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])CC1 32743530 LWJXCAOXZRLNTR-CQSZACIVSA-N 424.523 2.438 5 40 HEBB Cc1sc2ncn(CCC(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)c(=O)c2c1C 14199225 OCPYZLUONOSTPE-HNNXBMFYSA-N 416.459 2.223 5 40 HEBB COc1ccc(OC)c2c1CN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C[C@@H]2O 21674351 AKXNRPTVXSFPLO-HNNXBMFYSA-N 408.432 2.069 5 40 HEBB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1 57333402 SESHRUDTMJNWEF-UHFFFAOYSA-N 415.402 2.236 5 40 HEBB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] 224785147 NCIGCDSZPDKQTA-UHFFFAOYSA-N 409.376 2.400 5 40 HEBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCCN1C(=O)CSC1=O 9883883 YUCFHHOHJWWHQY-UHFFFAOYSA-N 412.474 2.108 5 40 HEBB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)cc1 8337014 CQDVOBTVVJCYHE-AWEZNQCLSA-N 407.496 2.353 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O 220384896 WYXQUDUMZXNKPV-GFCCVEGCSA-N 421.431 2.425 5 40 HEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(C)=O 100820961 KTTHHEDCIMRGHT-FLFQWRMESA-N 416.437 2.321 5 40 HEBB COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225085985 LULYNLJFTHPIDH-UHFFFAOYSA-N 409.376 2.180 5 40 HEBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2C=CC=NN21 230016133 FLBVUNVQDLPVID-OKYOBFRVSA-N 416.393 2.192 5 40 HEBB CC(C)NS(=O)(=O)c1ccc(Sc2nc([C@H]3CCCO3)n[nH]2)c([N+](=O)[O-])c1 12980276 CRWZGXPCGUJVOR-GFCCVEGCSA-N 413.481 2.402 5 40 HEBB COCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(C2CCCC2)c1=N 16805163 IAGAYDMDBPJNLX-UHFFFAOYSA-N 409.490 2.318 5 40 HEBB Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc([N+](=O)[O-])cc4)nc32)cc1C 5143556 RTWPFIOUDOGIFW-UHFFFAOYSA-N 404.386 2.400 5 40 HEBB CS(=O)(=O)C(Br)(Br)[C@@H](O)c1cccc([N+](=O)[O-])c1 96520821 BSPZHPFXGNJMCC-QMMMGPOBSA-N 403.048 2.116 5 40 HEBB O=C(O)c1nn(-c2ccc([N+](=O)[O-])cc2)nc1N1CCN(c2ccccc2F)CC1 256046517 GIZYZLNLHMVHAH-UHFFFAOYSA-N 412.381 2.339 5 40 HEBB CCOC(=O)c1nnn2c1sc1c(C(=O)OCC)nnn1c1cc(C)ccc12 1409547 UVTNDRDNUXWRKU-UHFFFAOYSA-N 400.420 2.211 5 40 HEBB O=c1[nH]c2ccc3[nH]c(=O)c(Br)c(O)c3c2c(O)c1Br 6423877 CJXCPSQKQULPDX-UHFFFAOYSA-N 401.998 2.306 5 40 HEBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1ccc(-n2cccn2)cc1 7254054 KPJWCPRXWHTRAY-UHFFFAOYSA-N 406.354 2.120 5 40 HEBB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OC)Oc2ccccc21 13683283 LSJRBMKWXKCLSZ-KRWDZBQOSA-N 421.431 2.159 5 40 HEBB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCc1ccccc1CN1CCCC1 21962545 RSXUSXVUXWFIOE-UHFFFAOYSA-N 424.457 2.232 5 40 HEBB CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc([N+](=O)[O-])ccc1Cl 71980391 KXWUVSYBBYECRA-HNNXBMFYSA-N 411.842 2.376 5 40 HEBB COc1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2N2CCCN12 100938431 RGTVNUYCFJBVFN-QYZOEREBSA-N 408.414 2.139 5 40 HEBB COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@@H]23)c(OC)c1 103548753 BRJUXKBPZYTFHY-FUHWJXTLSA-N 411.370 2.213 5 40 HEBB C=CC(=O)N(CC)CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1540340736 XBTIVVDGDWNQRB-UHFFFAOYSA-N 414.384 2.297 5 40 HEBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 7006587 BPRJPESSDSTLIW-NSHDSACASA-N 401.350 2.497 5 40 HEBB Cc1cc(=O)c(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1F 12778266 DAXHWPOJXOOWMU-SFHVURJKSA-N 412.377 2.052 5 40 HEBB Cc1cc(=O)c(C(=O)NC[C@H](c2ccccc2)N(C)C)nn1-c1ccccc1[N+](=O)[O-] 15589993 DMJLUFBGAHFBFW-LJQANCHMSA-N 421.457 2.482 5 40 HEBB COc1ccccc1CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 33770333 FTKRHPKRFWRCMN-UHFFFAOYSA-N 407.448 2.236 5 40 HEBB COc1ccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 6405546 DGRKMQNNMSVLLB-IRXDYDNUSA-N 403.416 2.216 5 40 HEBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19848717 ZWDAAUDAUHQEJE-UHFFFAOYSA-N 414.374 2.190 5 40 HEBB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)N(N=O)c1ccccc1O2 13511107 CCRGPJWWRZTQET-MRXNPFEDSA-N 409.358 2.375 5 40 HEBB COC(=O)[C@H](C(=O)C(=O)Nc1ccccc1C)c1nc2ccc([N+](=O)[O-])cc2nc1O 17211616 VPTLVUHZPYJLOO-HNNXBMFYSA-N 424.369 2.016 5 40 HEBB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nc2n1 3542206 WDYPWXRHCUXTSD-UHFFFAOYSA-N 404.770 2.098 5 40 HEBB Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1[C@@H]1C=C[C@@H](NC(=O)COCC(=O)O)C1 12603346 OVEGSEUUBXHEGZ-HUUCEWRRSA-N 414.418 2.027 5 40 HEBB biogenic,in-vitro Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc([N+](=O)[O-])c4)cnc32)cc1 4165824 GMRGORIWIASEIS-UHFFFAOYSA-N 404.386 2.438 5 40 HEBB O=[N+]([O-])c1ccc(N2CCN(c3cc(N4CCNCC4)ccc3[N+](=O)[O-])CC2)cc1 4182690 DRXFIYDDLMOIPV-UHFFFAOYSA-N 412.450 2.239 5 40 HEBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 10647185 MCESTBGIYLSFLW-GFCCVEGCSA-N 421.431 2.029 5 40 HEBB O=C(NC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 28052560 LQBKPFNBMYUCBM-UHFFFAOYSA-N 407.423 2.317 5 40 HEBB CC(C)(Cc1ccccc1)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225477929 KRDUXPNZINSLGS-UHFFFAOYSA-N 405.476 2.498 5 40 HEBB CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 12634580 RYMRVRRZRWJBTB-LLVKDONJSA-N 409.386 2.061 5 40 HEBB COc1ccc([C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 19897849 HVMWUNHZQHAFQI-LJQANCHMSA-N 415.446 2.172 5 40 HEBB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222912845 OQVBWFJCHXUENL-OAHLLOKOSA-N 415.446 2.188 5 40 HEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccccc1C 9634324 HTUBBUKDITUDJN-QQTULTPQSA-N 416.437 2.412 5 40 HEBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CCOc3cccc(F)c3)CC2)cc1 29694441 MTLRWVPJIPJDQL-UHFFFAOYSA-N 409.439 2.119 5 40 HEBB CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(c3nnc4ccccn34)CC2)s1 95455263 NEQXZHKZWAYTQP-UHFFFAOYSA-N 407.477 2.487 5 40 HEBB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1ccc(F)cc1 5938424 XVARRSSGBGSQCQ-UHFFFAOYSA-N 400.318 2.146 5 40 HEBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)NCc1ccc(F)cc1 15277956 YPFBYSBNMNLRIX-UHFFFAOYSA-N 417.393 2.044 5 40 HEBB O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@H](c1cccs1)N1CCOCC1 22357930 YZKAYLACPHRGBA-QGZVFWFLSA-N 419.507 2.441 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(OC)c(OC)cc1OC 3242070 CZNGTAWXOWJDFJ-UHFFFAOYSA-N 420.374 2.425 5 40 HEBB COc1ccc(CN2CCN(Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)cc1F 12553660 DGAVDPWCLNRORR-UHFFFAOYSA-N 416.409 2.426 5 40 HEBB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 12871796 GRUFCQFSDVUXCF-RYUDHWBXSA-N 409.464 2.119 5 40 HEBB O=C(COc1ccccc1/C=C\c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-])Nc1ccccc1 13544918 WZPAIXBGNXLFOX-KHPPLWFESA-N 408.370 2.159 5 40 HEBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C[C@@H](NC(C)=O)c1ccccc1 4220370 XPFLOKFPFOYIJG-QGZVFWFLSA-N 415.402 2.353 5 40 HEBB COc1ccc([C@@H]2c3c(-c4ccc([N+](=O)[O-])cc4)nnc(O)c3Nc3nnnn32)cc1 10296125 BDVUHDXCKXLURL-QGZVFWFLSA-N 418.373 2.447 5 40 HEBB O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1ccc([N+](=O)[O-])cc1 1858340 AQKFKOTVBMLDMS-UHFFFAOYSA-N 411.164 2.106 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 4569242 DPPHMLNUFGCXRZ-KRWDZBQOSA-N 403.460 2.486 5 40 HEBB C[C@H](OC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C1CCCCC1 23055038 ZGZYNHNXYNPUPN-KGLIPLIRSA-N 405.451 2.436 5 40 HEBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2cccnc2Cl)C1=O 8645812 LQPCHHKQBQPWEH-QGZVFWFLSA-N 403.782 2.049 5 40 HEBB COc1cccc(-c2nnc(O)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N3)c1 10296834 ZFSYFIVBHHNORK-KRWDZBQOSA-N 418.373 2.447 5 40 HEBB CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)N(C)C 12522660 BCDIMUAOFGIFDZ-MRXNPFEDSA-N 414.528 2.004 5 40 HEBB CN1CCN([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1 9740913 RQGCHASOMCMDAH-IBGZPJMESA-N 422.482 2.001 5 40 HEBB Cc1ccc(-n2ncc3c(=O)n(NC(=O)Cc4ccc([N+](=O)[O-])cc4)cnc32)cc1 10251638 PPXMWTOGJMPJJE-UHFFFAOYSA-N 404.386 2.112 5 40 HEBB CC(C)c1n[nH]c(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)n1 12860782 WIYTZXFPMYZORM-UHFFFAOYSA-N 413.481 2.008 5 40 HEBB Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c([N+](=O)[O-])n1 6094810 BTKKXDVCFQHAIW-UHFFFAOYSA-N 420.447 2.100 5 40 HEBB CCCCNC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O 409202349 PXZJAUSNAUCMFH-JYRVWZFOSA-N 409.420 2.262 5 40 HEBB Cc1ccc(S(=O)(=O)N(CCN2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 62580287 OLYUXMUXNDQNNJ-UHFFFAOYSA-N 405.476 2.431 5 40 HEBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3C=CC=NN3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O 103938395 MLVLTNRIXBWLPR-NXOAAHMSSA-N 410.430 2.232 5 40 HEBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(F)cc1 408670213 WXPZLRTYZHBCKX-GFCCVEGCSA-N 401.350 2.269 5 40 HEBB Cc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1[N+](=O)[O-] 17846041 CKONTRNKSVJQHL-UHFFFAOYSA-N 403.460 2.191 5 40 HEBB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 18072222 NGCRQVPVHWKMHI-UHFFFAOYSA-N 417.393 2.299 5 40 HEBB CC1(C)C[C@@H]2C[C@@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2CC12C(=O)NC(=O)NC2=O 101346119 WXTBTYWPGPEHNG-AFBRZQFHSA-N 412.446 2.277 5 40 HEBB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1nnc(-c2ccccc2)o1 2642401 PXBQWYUQLFQKQV-UHFFFAOYSA-N 422.353 2.374 5 40 HEBB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 10210377 CVDQDLYUUOJAHP-STQMWFEESA-N 406.439 2.222 5 40 HEBB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] 549201303 HMBXEDMMYFROGH-MRXNPFEDSA-N 414.397 2.473 5 40 HEBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCc4ccccc4[C@@H]32)C1=O 8914406 NJGXHXICUJQOTH-GOSISDBHSA-N 420.425 2.292 5 40 HEBB C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(CC(=O)Nc2ccccc2)CC1 12947423 AORBOUDUFZCIRD-INIZCTEOSA-N 411.462 2.178 5 40 HEBB COC(=O)CCCn1c(C)cc(C(=O)COC(=O)c2cc([N+](=O)[O-])cn2C)c1C 31314847 MLPWURGVLRBNSG-UHFFFAOYSA-N 405.407 2.345 5 40 HEBB CCc1n[nH]c(-n2ccc3nc4ccn(-c5cccc(OC)c5)c(=O)c4cc3c2=O)n1 40399136 YQRNQFQCPLNLFH-UHFFFAOYSA-N 414.425 2.379 5 40 HEBB O=C(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1 408554962 VWOQVCNWAKHCSL-UHFFFAOYSA-N 410.308 2.307 5 40 HEBB O=C1NC(=S)N(C2CC2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@H]12 9109823 KQQUHYXFSPMEEJ-OXJNMPFZSA-N 414.487 2.292 5 40 HEBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc2c(c1)OCO2 13020998 MYKYVNZKRUMUJW-UHFFFAOYSA-N 408.388 2.137 5 40 HEBB COc1ccc(-n2nc([N+](=O)[O-])c(Nc3cc([N+](=O)[O-])ccc3OC)[n+]2[O-])cc1 16226436 OPRZVUJXAWOFBV-UHFFFAOYSA-N 402.323 2.083 5 40 HEBB C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 57847957 YPUFMMOZMLLMTL-HNNXBMFYSA-N 403.483 2.264 5 40 HEBB O=c1c(=O)c2cc3c4c5c(cc6c(=O)c(=O)c7ccc(c8ccc1c2c84)c5c76)S3(=O)=O 9057162 PYEYXOVCVINCEL-UHFFFAOYSA-N 422.373 2.382 5 40 HEBB COc1cccc(CN(C)C(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)c1 83864174 OOXCWAXKWJROTF-UHFFFAOYSA-N 410.224 2.186 5 40 HEBB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 101407736 FDZPDWQOFWXZEN-UAFMIMERSA-N 418.409 2.371 5 40 HEBB C[C@H](C(=O)OCCOc1ccccc1F)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 12787952 RCPIHRLFVVAMRL-LLVKDONJSA-N 402.334 2.341 5 40 HEBB Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1F 12918808 VKRHTOIYMKUYQZ-KBXCAEBGSA-N 401.394 2.245 5 40 HEBB COc1ccc([C@H](CNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)N2CCCC2)cc1 12991327 XBTMAOLPWQRJMV-SFHVURJKSA-N 401.467 2.370 5 40 HEBB CC1(C)O[C@@H]2O[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 13152229 IKRMVZVASOBSSJ-MDLJMBGESA-N 409.391 2.148 5 40 HEBB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 16347364 KNPWMYNEERHWDU-UHFFFAOYSA-N 423.447 2.180 5 40 HEBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2C=CC=NN21 229633191 FLBVUNVQDLPVID-MANSERQUSA-N 416.393 2.192 5 40 HEBB COc1ccc(CCNC(=O)COC(=O)c2cccc(C)c2[N+](=O)[O-])cc1OC 3495268 MMQJIIVKDQOBGS-UHFFFAOYSA-N 402.403 2.436 5 40 HEBB Cc1c2ccncc2c(CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2c3ccccc3n(C)c12 5486950 JRIGURFJUAUMBB-OUFMZXHOSA-N 408.454 2.144 5 40 HEBB Cc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 24647944 LBESPTXPJPMSJF-UHFFFAOYSA-N 405.432 2.176 5 40 HEBB COc1cccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 89470115 PITWTSISGVCGIY-UHFFFAOYSA-N 408.432 2.203 5 40 HEBB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 6043873 OCHCFEUBXWUVAD-GJZGRUSLSA-N 405.451 2.093 5 40 HEBB COc1ccc(-c2nnc(O)c3c2[C@@H](c2ccccc2[N+](=O)[O-])n2nnnc2N3)cc1 10295368 ZUKWPIYSXJSILQ-QGZVFWFLSA-N 418.373 2.447 5 40 HEBB COc1cc(/C=C/C(=O)N(C)CC(=O)N2CCCC2)c([N+](=O)[O-])cc1OC(F)F 32461881 UXAHWARICIFOCE-AATRIKPKSA-N 413.377 2.299 5 40 HEBB CCCCNC(=O)CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 39975984 AOIOBWMUHFKMAL-UHFFFAOYSA-N 404.492 2.484 5 40 HEBB COC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224775057 VSUKXXXOSSSPLF-UHFFFAOYSA-N 422.415 2.058 5 40 HEBB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 8433890 AFARZWDOBIIRFU-CYBMUJFWSA-N 413.386 2.138 5 40 HEBB Cc1ccc(-c2nnc(S)n2CC(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 12857260 XFQHGXXSTRULIZ-INIZCTEOSA-N 413.459 2.300 5 40 HEBB CN1CCN(c2ccccc2NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 57672354 HPHBTFMOCVBRKY-UHFFFAOYSA-N 407.434 2.180 5 40 HEBB O=C1CC(=O)OC(c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)O1 59488732 SAFHHBPFMRJSNI-UHFFFAOYSA-N 411.414 2.406 5 40 HEBB CC1=C(C(=O)OCCCO[N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1 68606456 WUWDFXPDAJGZPL-HNNXBMFYSA-N 422.350 2.205 5 40 HEBB biogenic COc1cccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)c1OC 102890622 HYJZTRGMCUCHGI-CRAIPNDOSA-N 411.370 2.213 5 40 HEBB O=C(NC[C@H]1CCCO1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 199407981 ZZAQZQNKFVUJIW-NVXWUHKLSA-N 419.821 2.129 5 40 HEBB COc1cc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc(OC)c1 9963982 IMZSHJKKVSUIGB-UHFFFAOYSA-N 423.447 2.377 5 40 HEBB O=[N+]([O-])c1ccc(-c2csc(N3CCN(S(=O)(=O)N4CCCC4)CC3)n2)cc1 15083492 FISRLLGZDYSPCF-UHFFFAOYSA-N 423.520 2.181 5 40 HEBB CCCC(=O)NC(=S)N1CCN(c2ccc(C(=O)OCC)cc2[N+](=O)[O-])CC1 408572554 JVZQFHNEQULPEV-UHFFFAOYSA-N 408.480 2.095 5 40 HEBB O=C(c1ccccc1Cl)N1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 32743334 DLLSNLOIOLXEQS-INIZCTEOSA-N 419.865 2.446 5 40 HEBB COc1cc(C(=O)OCc2cccc(S(=O)(=O)N(C)C)c2)c([N+](=O)[O-])cc1OC 9487849 CHOKDQQRCOONJJ-UHFFFAOYSA-N 424.431 2.219 5 40 HEBB COC(=O)CCNc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1[N+](=O)[O-] 9546246 URMFAAVYOMSXHZ-UHFFFAOYSA-N 409.420 2.379 5 40 HEBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 16044645 PTJOVZQFQNDNKR-UHFFFAOYSA-N 417.399 2.443 5 40 HEBB O=C(NC(=S)Nc1ccccc1O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17082362 KBQLVJQZRXMSSP-UHFFFAOYSA-N 402.432 2.264 5 40 HEBB COC(=O)Cc1cc(O)nc(SCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])n1 9051198 LBMYGGCVVFCMDD-UHFFFAOYSA-N 406.420 2.154 5 40 HEBB COc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c([N+](=O)[O-])c1 12660773 RVXXQUAQHFQWKG-OAQYLSRUSA-N 424.413 2.326 5 40 HEBB COc1cc(OCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)ccc1[N+](=O)[O-] 219822701 FSSGUSMHJNIRDV-UHFFFAOYSA-N 409.420 2.017 5 40 HEBB COc1[nH]nc(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)c1[N+](=O)[O-] 2761478 QSHLLOIXZZPYPU-UHFFFAOYSA-N 413.438 2.414 5 40 HEBB O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1csc(-c2ccccn2)n1 95976376 VPQFNCMXRXHIKP-UHFFFAOYSA-N 404.429 2.373 5 40 HEBB COc1ccc(CCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220405784 YAMREBGTGUCMEJ-AWEZNQCLSA-N 421.475 2.117 5 40 HEBB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)cc1[N+](=O)[O-] 409226201 PQPYSZOVJFKVET-UHFFFAOYSA-N 409.354 2.128 5 40 HEBB O=C(CCc1ccco1)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 89794512 SEVVBSODWPSSRP-UHFFFAOYSA-N 403.210 2.388 5 40 HEBB CCS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1cccc([N+](=O)[O-])c1 96520124 RIUSNHBFTBYMHQ-VHSXEESVSA-N 419.624 2.391 5 40 HEBB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cn1cc([N+](=O)[O-])nc1C 58169314 GEKXZOPZHQPBNF-UHFFFAOYSA-N 413.356 2.394 5 40 HEBB COc1cc2c(cc1OC)[C@]13CC[N+]4([O-])CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]34 103834018 HHHQMKWPZAYIAE-NBJXPCBKSA-N 410.470 2.122 5 40 HEBB CN1CCN(S(=O)(=O)c2ccc(Nc3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)CC1 34876865 RYVNTHIOQDKFSB-UHFFFAOYSA-N 420.447 2.003 5 40 HEBB Cc1ccccc1CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 36446979 BIFVSQQCQUWJCR-UHFFFAOYSA-N 418.519 2.476 5 40 HEBB O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(Cl)cc1 941652 ZHRMXFNUQXDCKS-UHFFFAOYSA-N 417.761 2.026 5 40 HEBB O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(Cl)c([N+](=O)[O-])c1 5656164 ODFRHHUWOUENCT-UHFFFAOYSA-N 410.791 2.250 5 40 HEBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(CCOc2cccc(F)c2)CC1 29694650 ISDOGPCEWCVQSQ-UHFFFAOYSA-N 409.439 2.119 5 40 HEBB CCn1c(Cn2nc(C)c([N+](=O)[O-])c2C)nc2cc(S(=O)(=O)N(C)C)ccc21 9130012 OGHOCVMRXDYJHE-UHFFFAOYSA-N 406.468 2.076 5 40 HEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(C)(=O)=O 10449853 GOWZPRPXBGCJNZ-ZDUSSCGKSA-N 419.459 2.347 5 40 HEBB CCn1c(=O)c2ccccc2n2c(COc3ccc(C(=O)OC)cc3[N+](=O)[O-])nnc12 29450913 QLOIQEDDTOGPDG-UHFFFAOYSA-N 423.385 2.338 5 40 HEBB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1OC 223591275 HVGFHBJTDMRSKW-UHFFFAOYSA-N 420.403 2.141 5 40 HEBB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 229859810 RLECGFLZYIEZDY-RDGPPVDQSA-N 419.393 2.283 5 40 HEBB COc1ccc(OCc2cccc(S(=O)(=O)N3CCOCC3)c2)c([N+](=O)[O-])c1 7062922 JTVWKVQYNFVGIB-UHFFFAOYSA-N 408.432 2.203 5 40 HEBB CC(C)CNC(=O)NC(=O)COC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 10210100 LHTRAWVDHGTKRQ-UHFFFAOYSA-N 420.466 2.470 5 40 HEBB COc1ccccc1N1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 13144250 ORKXGFFLYMYZNH-HNNXBMFYSA-N 412.446 2.071 5 40 HEBB Cc1ccc(N2C(=O)C[C@@H](NC3CCN(c4ncccc4[N+](=O)[O-])CC3)C2=O)cc1 18217968 UCMVYQOHDJVQPF-QGZVFWFLSA-N 409.446 2.189 5 40 HEBB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1CCc3cc(C)c([N+](=O)[O-])cc31)n2C 95459857 BVRIPLQQYSQSSY-UHFFFAOYSA-N 412.450 2.003 5 40 HEBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 6236816 DHLCXRNQTSQBOP-MDZDMXLPSA-N 401.444 2.141 5 40 HEBB O=C1N=C(O)N=C(O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCN(c3ccccc3)C[C@@H]12 17014991 JSJSKRCLMRNADM-QGZVFWFLSA-N 421.413 2.243 5 40 HEBB Nc1nc(N2CCCCC2)nc2c1[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 20674007 BMPXGSVCRFDNSW-CYBMUJFWSA-N 411.422 2.022 5 40 HEBB O=C(NC1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1)Oc1ccccc1 95348559 BLOAJAFWSHDARE-UHFFFAOYSA-N 409.402 2.360 5 40 HEBB O=C(NCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(=O)Nc1ccccc1 4892421 JBNKWZALIFLPMA-UHFFFAOYSA-N 410.430 2.202 5 40 HEBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc([N+](=O)[O-])cc1 408651220 NHYRDQWOSHDQNV-CYBMUJFWSA-N 413.342 2.282 5 40 HEBB N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1 2695840 LCDVVQFVNKDFLR-UHFFFAOYSA-N 414.469 2.244 5 40 HEBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CC(=O)N(Cc2ccco2)C1 9491436 GAJLXBDSBADTJB-ZDUSSCGKSA-N 412.358 2.330 5 40 HEBB CCNC(=O)c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12137459 RIJLUONJYADGIS-UHFFFAOYSA-N 417.403 2.380 5 40 HEBB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCOc1cccc(Cl)c1 40113654 VQPISFBHXVVZTH-UHFFFAOYSA-N 405.794 2.169 5 40 HEBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(C4CC4)c(=O)c3cc2c1=O 40399092 GDNRNKVJUBUPJB-UHFFFAOYSA-N 405.414 2.244 5 40 HEBB COC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccc(OC)cc2)c1=N 100751911 KSXXSHRMPPXMQE-UHFFFAOYSA-N 418.453 2.475 5 40 HEBB biogenic COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(=O)n1Cc1ccccc1 12577320 WMVGUWQMBFOPQD-UHFFFAOYSA-N 415.431 2.267 5 40 HEBB C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc3c(c2)OCO3)CC1 16482216 VGPPPNCBVVAIAO-HNNXBMFYSA-N 412.446 2.468 5 40 HEBB Cc1c(C(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] 16750504 UUINFBRDMMWRMN-UHFFFAOYSA-N 403.366 2.108 5 40 HEBB Cc1ccc2nc3c(cc(C(=O)NC4CCCC4)c(=N)n3C[C@H]3CCCO3)c(=O)n2c1 15952817 OOFLYMWBUGKIPB-MRXNPFEDSA-N 421.501 2.288 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38856414 WFELIZPHCUVUNJ-QGZVFWFLSA-N 421.431 2.159 5 40 HEBB CCOc1cccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 220035140 IDUOWFUCIGUXQG-UHFFFAOYSA-N 421.475 2.384 5 40 HEBB O=C(CNC(=O)C(=O)Nc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1 408556079 ZHHKHKLMTUOUSR-UHFFFAOYSA-N 421.207 2.051 5 40 HEBB C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704435 NKUKDFOCXVNJJZ-GFCCVEGCSA-N 421.431 2.159 5 40 HEBB CCCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(I)c2O)C1=O 409233359 VGZHBBGYKKSDHB-BJMVGYQFSA-N 417.159 2.208 5 40 HEBB CCOC(=O)c1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc(=O)[nH]c1C 10213768 DRZZWPIVLQRQNS-UHFFFAOYSA-N 410.383 2.033 5 40 HEBB COC(=O)COC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 13159170 OQEPRZXWGGCJAP-UHFFFAOYSA-N 409.372 2.001 5 40 HEBB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 32759711 XBVIBDXTWUUFNH-UHFFFAOYSA-N 413.477 2.392 5 40 HEBB Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cccc1[N+](=O)[O-] 41780549 AKFARDWLLJZHBJ-UHFFFAOYSA-N 418.475 2.092 5 40 HEBB COC(=O)[C@@](NNc1ccc([N+](=O)[O-])cc1)(NC(=O)c1ccccc1)C(F)(F)F 4602996 XSBPFPDJRSUULA-INIZCTEOSA-N 412.324 2.373 5 40 HEBB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 7928411 UQYRJUQRUJKXJZ-CYBMUJFWSA-N 413.386 2.382 5 40 HEBB O=[N+]([O-])c1ccc(Oc2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCOCC2)c1 13000868 IAUHCYZIAQYMLX-UHFFFAOYSA-N 408.388 2.137 5 40 HEBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)O[C@H](C)C3)n2)c1 17252014 BFHXDZLHHDYOMY-PHIMTYICSA-N 404.427 2.341 5 40 HEBB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]23)cc1OC 101312433 PGDCRVUWGQCJBE-AEFFLSMTSA-N 411.370 2.213 5 40 HEBB O=[N+]([O-])c1ccccc1CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 19888750 MCIBWJQVVPPHBA-UHFFFAOYSA-N 406.420 2.010 5 40 HEBB COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1cccc([N+](=O)[O-])c1 2249251 MCLWAGRRMDJQST-NHYWBVRUSA-N 405.432 2.433 5 40 HEBB C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1S(=O)(=O)c1ccccc1 4083466 AAENPMQHDYNLBS-ZDUSSCGKSA-N 406.420 2.402 5 40 HEBB CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224747800 SATLFZGSHGMEJT-UHFFFAOYSA-N 424.431 2.370 5 40 HEBB COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc(C(N)=O)c1C 2101898 MIECQUOSAUARKH-UHFFFAOYSA-N 408.348 2.011 5 40 HEBB COc1ccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 4029275 UARRPIJHFIVUNZ-SFHVURJKSA-N 410.454 2.130 5 40 HEBB biogenic CN1CCN(c2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])CC1 5157533 AKVIXOCGPRORMJ-UHFFFAOYSA-N 411.510 2.178 5 40 HEBB C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=S)N(C4CC4)C3=O)[C@@H]2C1 8739145 FOKAVCWXEQFMQC-BFKBOQTRSA-N 414.487 2.148 5 40 HEBB COC(=O)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 9353716 RLECGFLZYIEZDY-INDMIFKZSA-N 419.393 2.283 5 40 HEBB COCCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 9426428 YEZZATHEQCOVSZ-UHFFFAOYSA-N 407.448 2.470 5 40 HEBB CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(Nc1ccccc1C(=O)O)C2=O 35326641 CCTWOLQVKMOGJR-QGZVFWFLSA-N 423.385 2.113 5 40 HEBB CC[C@H](C(=O)NCc1ccccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222518474 OZNBKUQTWKRHFL-QGZVFWFLSA-N 421.475 2.464 5 40 HEBB CC(=O)N[C@H](CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 6084949 VFELMEVVTNUFDP-MRXNPFEDSA-N 403.366 2.483 5 40 HEBB COc1ccc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1 6624961 NAWGFUAFNYVQMC-UHFFFAOYSA-N 407.448 2.236 5 40 HEBB COC[C@@H](C)NS(=O)(=O)c1ccc(Sc2nnc3ccccn23)c([N+](=O)[O-])c1 9646082 OJARFZKFSULTTC-LLVKDONJSA-N 423.476 2.102 5 40 HEBB O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc([N+](=O)[O-])cc1Cl 11028762 BBIVSURESQYZOX-UHFFFAOYSA-N 410.791 2.250 5 40 HEBB CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 12824442 ZULQCPNSUAMOKE-NSHDSACASA-N 409.420 2.047 5 40 HEBB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C 16347359 OYBOCECBDGBZKV-UHFFFAOYSA-N 411.411 2.310 5 40 HEBB Cc1nn(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1[N+](=O)[O-] 25286816 ZYNSEBCHMCAZEX-UHFFFAOYSA-N 413.887 2.026 5 40 HEBB CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3C[C@H]4CC[C@H]3C4)CC2)c([N+](=O)[O-])c1 103505072 CLQRCWSWVNRVCV-DZKIICNBSA-N 407.492 2.083 5 40 HEBB CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@@H](C)C[C@@H]32)C1=O 4594390 SCIVFTCMBZHOHJ-RRBXVBTKSA-N 400.435 2.231 5 40 HEBB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 229861332 NBKPSVBOLWSLHR-HCXYKTFWSA-N 404.382 2.062 5 40 HEBB CCOC(=O)C1=C(C)n2c(sc(=C(C)C)c2=O)=N[C@H]1c1ccc([N+](=O)[O-])cc1 408731229 LIWVJCDRSZMCTQ-HNNXBMFYSA-N 401.444 2.177 5 40 HEBB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222627232 CYHYQSYHRPGHNQ-CYBMUJFWSA-N 419.409 2.285 5 40 HEBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCCN12 229994774 QRAXTPMBZOPHQS-HCXYKTFWSA-N 405.410 2.430 5 40 HEBB Cc1nn(CC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1[N+](=O)[O-] 9315557 VJDYFRKHIYPQEF-UHFFFAOYSA-N 402.323 2.110 5 40 HEBB CNC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1C(=O)NC 12776423 RYZLCSVSYOCIJI-UHFFFAOYSA-N 404.810 2.001 5 40 HEBB COc1cc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c([N+](=O)[O-])cc1OC 13097337 SSWRWYTZBZRXII-UHFFFAOYSA-N 423.447 2.423 5 40 HEBB COc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 20489937 HJYORWMEIDZQSW-ZDUSSCGKSA-N 407.448 2.247 5 40 HEBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@]1(C(=O)Nc3ccccc31)N1CCC[C@H]21 33875733 PTAAMSSDVVNNBX-OZQHCQBDSA-N 418.409 2.026 5 40 HEBB O=[N+]([O-])c1ccc(N(CCO)Cc2ccccc2)c(S(=O)(=O)N2CCCC2)c1 72268452 ZMHSQCPPQUZQMC-UHFFFAOYSA-N 405.476 2.378 5 40 HEBB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 23078846 TVTMMDGOYVVVGL-UHFFFAOYSA-N 421.822 2.485 5 40 HEBB CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)CC2)cc1 215726085 ACFIBFOPILJDOA-FQEVSTJZSA-N 422.441 2.252 5 40 HEBB CCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4[N+](=O)[O-])nc32)cc1 9739018 XJRJNVHNRUICMF-UHFFFAOYSA-N 420.385 2.182 5 40 HEBB O=C(NC(=S)NCc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17081874 RWMBFAVOSSFWAP-UHFFFAOYSA-N 400.460 2.236 5 40 HEBB CS(=O)(=O)c1ccc(N[C@H](CN2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 12641133 XVWPOSBVNCXSCK-GOSISDBHSA-N 405.476 2.484 5 40 HEBB Cc1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cccc1[N+](=O)[O-] 20245327 NLQYXNSPXQVEJV-UHFFFAOYSA-N 410.427 2.294 5 40 HEBB C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 31296211 WQBMLHRPJXCRTL-FMQWLBJXSA-N 408.458 2.462 5 40 HEBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)Cn3cc(C=O)c4ccccc43)cc21 408600087 UEHIVUQGJUKEJO-UHFFFAOYSA-N 407.386 2.191 5 40 HEBB COc1ccccc1N1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]2CS(=O)(=O)C[C@@H]21 4393691 UFXZDMMMVSOULU-CVEARBPZSA-N 403.416 2.216 5 40 HEBB COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)cc1 5025305 HMJJIGXNNXSZEZ-KRWDZBQOSA-N 404.444 2.433 5 40 HEBB Cc1ccc(CN2CCCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 9747886 NKBCYHVWMBLYFU-UHFFFAOYSA-N 404.492 2.263 5 40 HEBB CC[C@H](C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O 8997070 FTULSNBLRBFGCO-KRYHZZBUSA-N 400.435 2.373 5 40 HEBB COC(=O)[C@@H](C)[C@H](NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 79012864 GYSGNHFVCYBQSW-SJCJKPOMSA-N 408.432 2.432 5 40 HEBB COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2N2CCCN12 100938427 RGTVNUYCFJBVFN-QRVBRYPASA-N 408.414 2.139 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4569321 COSDWOFECOBWQA-QGZVFWFLSA-N 403.460 2.486 5 40 HEBB C[C@]12CCC(=O)N1[C@H](C(=O)OCc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CS2 9441244 JTZDZAHNXCYRJX-SJCJKPOMSA-N 404.404 2.142 5 40 HEBB CCOc1ccccc1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 9932873 UWTYPBUSGWWQJN-UHFFFAOYSA-N 407.448 2.239 5 40 HEBB CCOc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 29697136 LHRDXDHNPKJQBA-HNAYVOBHSA-N 413.430 2.196 5 40 HEBB CS(=O)(=O)C(Br)(Br)[C@@H](O)c1ccc([N+](=O)[O-])cc1 96520812 KOXMMDKYDHGHPF-QMMMGPOBSA-N 403.048 2.116 5 40 HEBB O=c1c2cc(OCO)ccc2[nH]c2cc3c(=O)c4cc(OCO)ccc4[nH]c3cc12 5386036 VXTPYNRBNIWZHV-UHFFFAOYSA-N 404.378 2.333 5 40 HEBB O=C(COC(=O)CCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(F)cc1 7002046 MLMKSCKAQOUXNL-UHFFFAOYSA-N 403.322 2.214 5 40 HEBB CCOc1ccccc1CNC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 220035225 VJTDBBIYKDYDKT-UHFFFAOYSA-N 421.475 2.384 5 40 HEBB Cc1c2ccncc2c(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2c3ccccc3n(C)c12 5486949 JRIGURFJUAUMBB-AWDZXFJFSA-N 408.454 2.144 5 40 HEBB CCOc1cc(Br)c(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OC 6354852 YNNQPUZVTTZZSY-SNAWJCMRSA-N 412.196 2.312 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)Cc1cn2ccsc2n1 9631229 JCQGRTUVRDIJSC-JTQLQIEISA-N 404.404 2.426 5 40 HEBB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)CC2 22609344 YAKZLLQHIBDTLG-QGZVFWFLSA-N 411.414 2.302 5 40 HEBB CN(C)S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 218416152 WNVPLLZAKNSVEM-UHFFFAOYSA-N 412.855 2.500 5 40 HEBB COC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220403161 LEIOAELSXNVSIZ-GFCCVEGCSA-N 421.431 2.175 5 40 HEBB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8782424 HTSQMYCKRRSSLG-HNNXBMFYSA-N 412.421 2.436 5 40 HEBB O=C(C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1)N1CCCCCC1 25301560 MKVUIXZRHJCJJV-IBGZPJMESA-N 405.495 2.449 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O 220384825 WYXQUDUMZXNKPV-LBPRGKRZSA-N 421.431 2.425 5 40 HEBB C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220409540 JCGVIMVNIYNSBI-LLVKDONJSA-N 408.392 2.296 5 40 HEBB COc1ccc([N+](=O)[O-])cc1N1C(=S)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 12421648 UQOVSKOAXRVIDU-CVEARBPZSA-N 419.484 2.381 5 40 HEBB CC(=O)Nc1cc(NCc2ccc(N3CCN(C)CC3)nc2)c(F)cc1[N+](=O)[O-] 12934695 ZZCKMEHZIPFURE-UHFFFAOYSA-N 402.430 2.451 5 40 HEBB COCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 13838763 RURMHMHJBJLQKQ-UHFFFAOYSA-N 423.447 2.171 5 40 HEBB CS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1ccc([N+](=O)[O-])cc1 96519966 PHECXICVONBCAI-DTWKUNHWSA-N 405.597 2.000 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)N1CCc2sccc2C1 41965325 YUCRZDULJCLAFR-ZDUSSCGKSA-N 402.476 2.466 5 40 HEBB CC[C@@H](C)Sc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C 4139147 UDTWEPXIUFIUOZ-SNVBAGLBSA-N 401.448 2.493 5 40 HEBB C[C@H](OC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)NC1CCCCC1 21688425 BCCNGHODSDXLGJ-NSHDSACASA-N 409.464 2.166 5 40 HEBB Cc1ccc(N2C[C@H](C(=O)OCc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2=O)cc1F 26474648 FGTANPVZCLILJK-CQSZACIVSA-N 415.377 2.238 5 40 HEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC[C@H](C)c1ccccc1)S(C)(=O)=O 260790501 FOMDEQODPIVUME-AWEZNQCLSA-N 421.475 2.289 5 40 HEBB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1 7940121 IXXWWCNSFCHXKE-ZDUSSCGKSA-N 413.386 2.138 5 40 HEBB C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 8038738 CSDAJIPTNWMUHE-GOEBONIOSA-N 411.414 2.368 5 40 HEBB O=C(O)/C=C/C(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@]12C(=O)Nc1ccccc12 8743576 GCRLRAZMKHKUMW-IBDYFIJFSA-N 406.354 2.020 5 40 HEBB COc1ccc(OC)c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 409312601 MQOAFUYXBFVHTP-UHFFFAOYSA-N 423.447 2.325 5 40 HEBB CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 12634582 RYMRVRRZRWJBTB-NSHDSACASA-N 409.386 2.061 5 40 HEBB O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H](c2nnc3n2CCC3)C1 69810377 DKMKRRQCEOWKLL-HNNXBMFYSA-N 407.434 2.338 5 40 HEBB COc1ccccc1N1CCN([C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 96299663 JBVVRBGZTCQRGM-SFHVURJKSA-N 410.430 2.058 5 40 HEBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)N(C)C1CCCCC1 23055039 ZGZYNHNXYNPUPN-ZIAGYGMSSA-N 405.451 2.436 5 40 HEBB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 33797523 GIVYRJYPQZIHKZ-UBBRYJJRSA-N 406.394 2.457 5 40 HEBB COc1cc(OCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1[N+](=O)[O-] 66018192 PRPGQHNZIOFDOF-LBPRGKRZSA-N 408.432 2.263 5 40 HEBB COc1ccc(COC[C@@H](O)Cn2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2=O)cc1 78729270 RPNBODNDAIXVKZ-IBGZPJMESA-N 413.430 2.442 5 40 HEBB COC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224777097 YOGDJDNVEONYHU-UHFFFAOYSA-N 408.388 2.000 5 40 HEBB COc1ccccc1[C@@H]1c2c(-c3ccc([N+](=O)[O-])cc3)nnc(O)c2Nc2nnnn21 10296153 UUKGXXXUWLFUHL-QGZVFWFLSA-N 418.373 2.447 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)s1 12768887 ZGQPRHVDXXGKMO-UHFFFAOYSA-N 409.489 2.420 5 40 HEBB COc1cc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)cc([N+](=O)[O-])c1O 409200454 IJPUCYTYPFUSCQ-MLPAPPSSSA-N 409.420 2.118 5 40 HEBB CC(C)[C@H](Nc1nc(N[C@H](Cc2ccc(O)cc2)C(=O)O)ccc1[N+](=O)[O-])C(=O)O 4106683 HQDRVMYJPUDNJF-CJNGLKHVSA-N 418.406 2.324 5 40 HEBB COCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2c(c1=O)SCC2 12140304 VPYURDIWEFBYSX-UHFFFAOYSA-N 422.488 2.177 5 40 HEBB Cc1cccc(C(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 13159783 IEAUSSBZWOWSFW-HNNXBMFYSA-N 424.475 2.018 5 40 HEBB COc1ccc(NC(=O)C(=O)Cc2nc3ccc([N+](=O)[O-])cc3nc2O)c(OC)c1 16958064 VMMHEEIITIVKGM-UHFFFAOYSA-N 412.358 2.011 5 40 HEBB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc([N+](=O)[O-])c2C)cc1OC 224811685 JXUJLQHGUMETRB-UHFFFAOYSA-N 410.404 2.200 5 40 HEBB COc1ccc([C@@H]2c3c(-c4cccc([N+](=O)[O-])c4)nnc(O)c3Nc3nnnn32)cc1 10296458 JZQSKUJFJGURGZ-QGZVFWFLSA-N 418.373 2.447 5 40 HEBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4O[C@@H]([C@@H]5C(c6cccc([N+](=O)[O-])c6)=NO[C@@H]54)[C@@H]3C2=O)cc1 248093431 HQPFZCOCKIJOOR-PCMNTEJDSA-N 419.393 2.209 5 40 HEBB O=C(OCC(=O)N1CCc2ccccc21)c1cc([N+](=O)[O-])ccc1N1CCOCC1 7978916 YEQODXFIRAXVRZ-UHFFFAOYSA-N 411.414 2.178 5 40 HEBB C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 31296213 WQBMLHRPJXCRTL-FLVLSHQESA-N 408.458 2.462 5 40 HEBB O=C(NCCNc1ccccc1[N+](=O)[O-])C1CCN(C(=O)NCc2ccco2)CC1 40131493 AZZWCVKMKHAHMC-UHFFFAOYSA-N 415.450 2.338 5 40 HEBB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O 409203919 ZXQBHXYEURXDAH-JYRVWZFOSA-N 409.420 2.214 5 40 HEBB O=C(NCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC1CCCCC1 12538021 UXBJTCFRIRTQIX-UHFFFAOYSA-N 403.483 2.265 5 40 HEBB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222391344 NUWUDYIYALZZRC-OAHLLOKOSA-N 415.446 2.454 5 40 HEBB O=C(NC[C@H]1CCCO1)[C@@H](Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408679640 GUDXVFWLFZLXMJ-CRAIPNDOSA-N 423.425 2.097 5 40 HEBB CS(=O)(=O)c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1 57396016 UCOTVONWVDPXKF-UHFFFAOYSA-N 419.459 2.049 5 40 HEBB CCCN1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc([N+](=O)[O-])ccc1Cl 71980392 KXWUVSYBBYECRA-OAHLLOKOSA-N 411.842 2.376 5 40 HEBB CCOC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224746063 VUUYEAZBRZLRDG-UHFFFAOYSA-N 422.415 2.140 5 40 HEBB CC(C)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 6190734 LEMBHFQBKUHQLH-MRXNPFEDSA-N 422.419 2.445 5 40 HEBB Cc1nn(CC(=O)N(C)CC(=O)Nc2ccccc2Br)c(C)c1[N+](=O)[O-] 12926159 FOBLZELKPOBAEI-UHFFFAOYSA-N 424.255 2.268 5 40 HEBB COc1cc(OC)cc(C(=O)N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)c1 25517271 PHJPNIVGRORUEO-UHFFFAOYSA-N 413.430 2.139 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38859796 HKWQTKHMWOMBKF-KRWDZBQOSA-N 405.432 2.459 5 40 HEBB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 138117777 FGMRIYXBKDSDSE-SUWCGCSTSA-N 420.425 2.176 5 40 HEBB CS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 223774568 JOMQDNMTGUCJHM-UHFFFAOYSA-N 411.867 2.373 5 40 HEBB CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 3253984 TVJLVXGMEUYTCC-UHFFFAOYSA-N 424.460 2.292 5 40 HEBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 8562437 XQNITGNSJNNOCE-OAHLLOKOSA-N 412.446 2.388 5 40 HEBB COc1ccc(NC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1 8790756 KNPZEUGJPSNHFV-UHFFFAOYSA-N 420.374 2.425 5 40 HEBB COc1ccc(-c2noc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1OC 223581210 JARXKKNXOQMQQW-UHFFFAOYSA-N 420.403 2.141 5 40 HEBB CN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@]32C)C(=O)N(C)C1=S 6671631 CYLSJMZVXPFBDV-GOSISDBHSA-N 402.476 2.102 5 40 HEBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1[N+](=O)[O-] 7940089 BTQVQUFRGVKMRT-ZDUSSCGKSA-N 401.375 2.027 5 40 HEBB O=C(COc1cccnc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)N2CCCCC2)c1 8687787 GAQAPPPQQKMQIS-UHFFFAOYSA-N 420.447 2.182 5 40 HEBB O=[N+]([O-])c1cccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 89780834 QXEFMSATWPZFBI-UHFFFAOYSA-N 423.403 2.103 5 40 HEBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C1=O 409249851 LYCWNVMUIFZEPA-OQLLNIDSSA-N 410.386 2.443 5 40 HEBB Cc1c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cccc1[N+](=O)[O-] 409257076 NWJGKBHNCPXNQT-UHFFFAOYSA-N 408.392 2.216 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 11000723 WKHVZRZUZYPSBI-UHFFFAOYSA-N 403.460 2.440 5 40 HEBB CNc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 17051154 VLHMQCNBUXWTIT-UHFFFAOYSA-N 418.431 2.081 5 40 HEBB Cc1ccc2c(c1)C(=O)N(CCC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])C2=O 25084614 GZHBIRRWMZQVCS-UHFFFAOYSA-N 411.370 2.071 5 40 HEBB Cc1cc(C(=O)NC2CCN(S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])CC2)no1 65622910 YVYIYOYZGIJYDB-UHFFFAOYSA-N 422.463 2.091 5 40 HEBB COc1cc(OCC(=O)NCc2ccc(OC)c(OC)c2OC)ccc1[N+](=O)[O-] 66020479 GHANVCATOKUKFU-UHFFFAOYSA-N 406.391 2.324 5 40 HEBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CC(=O)N(Cc2ccco2)C1 9491435 GAJLXBDSBADTJB-CYBMUJFWSA-N 412.358 2.330 5 40 HEBB CCOc1cccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 30752495 MPRIBRXGIBCXHQ-UHFFFAOYSA-N 407.448 2.076 5 40 HEBB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)c1 223770072 GSQZOMMLNUOLOB-UHFFFAOYSA-N 404.404 2.474 5 40 HEBB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 8562435 XQNITGNSJNNOCE-HNNXBMFYSA-N 412.446 2.388 5 40 HEBB CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)NC1CC1 32910755 OTPFNDIDSBUOAT-MEBBXXQBSA-N 411.842 2.213 5 40 HEBB CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)c([N+](=O)[O-])c1 103505068 CLQRCWSWVNRVCV-OFQRWUPVSA-N 407.492 2.083 5 40 HEBB NC(=O)c1ccc(N2CCN(C(=O)c3ccccc3OC(F)F)CC2)c([N+](=O)[O-])c1 24839849 IUOMPDRMMXOZDP-UHFFFAOYSA-N 420.372 2.258 5 40 HEBB Cc1ccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1[N+](=O)[O-] 16964574 BHLNUIVHLRZMIW-LJQANCHMSA-N 411.414 2.170 5 40 HEBB CCN(CC)S(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 24356669 XRDMAGAOWBTJEM-UHFFFAOYSA-N 410.418 2.322 5 40 HEBB O=C(NN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O)c1ccc(O)cc1 3067054 YUHLBLUUVGHOCP-UHFFFAOYSA-N 422.309 2.303 5 40 HEBB CCOC(=O)COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1OCC 409353771 REVNLLLUIQVGJO-SOFGYWHQSA-N 405.363 2.307 5 40 HEBB CC(C)C[C@@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])N(C)C 12521835 DOAOOEMKNJDRBR-HNNXBMFYSA-N 414.528 2.004 5 40 HEBB COc1ccc(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 22347929 IVFQEMLDQYGHIA-UHFFFAOYSA-N 421.475 2.118 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3N=CC=C[C@@H]3[C@@H]2C1=O 104001751 QDGKZHNFOUFZDW-XBVQOTNRSA-N 410.430 2.232 5 40 HEBB COc1ccc(CN(C)C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 10366064 YOLLDSLNCXRXOS-UHFFFAOYSA-N 421.475 2.336 5 40 HEBB CCCCN(C(=O)c1ccc([N+](=O)[O-])s1)c1c(N)n(CCCC)c(=O)[nH]c1=O 14624226 OHSSBNOOSGUYIS-UHFFFAOYSA-N 409.468 2.336 5 40 HEBB COC(=O)c1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 16129788 FWWDGJDXULTNNH-UHFFFAOYSA-N 408.388 2.277 5 40 HEBB CN1CCN(S(=O)(=O)c2ccc(N(C)OCc3ccccc3)c([N+](=O)[O-])c2)CC1 95455260 GVKPSTKLHDCRHA-UHFFFAOYSA-N 420.491 2.099 5 40 HEBB COC(=O)[C@@H](C(=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc([N+](=O)[O-])cc2nc1O 8659596 RAGNDLSPJURXAF-OAHLLOKOSA-N 424.369 2.016 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ccc(=O)n(C)n2)cc1 10324902 REEGMJXFRSWMLY-UHFFFAOYSA-N 400.416 2.465 5 40 HEBB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 12760522 WKHWUBNREROWSL-UHFFFAOYSA-N 407.430 2.444 5 40 HEBB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 45879752 FXVVPXNPGPGQBR-UHFFFAOYSA-N 409.402 2.408 5 40 HEBB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1[N+](=O)[O-] 409213097 SICHPZNVACVJJW-RIYZIHGNSA-N 414.349 2.274 5 40 HEBB CCCCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C 1804850 KCQZOLDRRWSGJR-UHFFFAOYSA-N 417.447 2.107 5 40 HEBB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)cc1 8337013 CQDVOBTVVJCYHE-CQSZACIVSA-N 407.496 2.353 5 40 HEBB COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)c(OC)c1 101254716 HQFBSTJYGJNOAN-AEFFLSMTSA-N 411.370 2.213 5 40 HEBB COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccccc1[N+](=O)[O-] 3636601 WWWVAEOOKGLDFK-ABAIWWIYSA-N 405.432 2.433 5 40 HEBB Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)n3c(c2n(C)c1=O)[C@H](c1ccco1)OCC3 9429899 UTFWFYACGDSIBQ-IBGZPJMESA-N 422.397 2.327 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCc2ccccc2C1)S(C)(=O)=O 10324033 YZPPZALDRBSHHM-UHFFFAOYSA-N 403.460 2.254 5 40 HEBB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 29847412 YGEMFJXCBATRDE-AWEZNQCLSA-N 405.432 2.188 5 40 HEBB CCOCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 409110564 WMLLNXKLJMUTFY-UHFFFAOYSA-N 421.475 2.333 5 40 HEBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2cccs2)CC1 3438234 DGGNIFYVVUPFIZ-VMPITWQZSA-N 407.473 2.203 5 40 HEBB COc1cccc([C@@H]2c3c(-c4ccc([N+](=O)[O-])cc4)nnc(O)c3Nc3nnnn32)c1 10296139 GJPSMBAZNSUSQE-QGZVFWFLSA-N 418.373 2.447 5 40 HEBB CC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1 102988151 GSZJUBKIUWKSIO-FQEVSTJZSA-N 422.441 2.252 5 40 HEBB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 3579040 IIWQENFZNVSHQC-UHFFFAOYSA-N 406.416 2.485 5 40 HEBB CNc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(F)c2)cc1[N+](=O)[O-] 5701634 BEWXINZAPCKEMI-UHFFFAOYSA-N 410.427 2.343 5 40 HEBB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 9469292 ICEMXRMYHXWBGS-UHFFFAOYSA-N 405.374 2.210 5 40 HEBB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1[N+](=O)[O-] 12532490 WVZLXERRIWJNNQ-UHFFFAOYSA-N 422.387 2.401 5 40 HEBB CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(C)CC3)c(O)n2n1 22854413 YDCPUJKVFKXSLI-OAHLLOKOSA-N 402.480 2.304 5 40 HEBB Cc1c(C(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 78821869 SZQBQSTZVREVHO-SGTLLEGYSA-N 419.459 2.153 5 40 HEBB COc1ccc(N(CC(=O)O)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(OC)c1 225076398 NKTRKLQBZGMFRE-UHFFFAOYSA-N 410.404 2.200 5 40 HEBB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 224196441 AGLZXKNEUHTXTP-LFYBBSHMSA-N 419.459 2.054 5 40 HEBB C[C@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 58161387 KVUSHTIGLURIRB-JTQLQIEISA-N 412.855 2.012 5 40 HEBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4O[C@@H]([C@H]5ON=C(c6cccc([N+](=O)[O-])c6)[C@@H]45)[C@H]3C2=O)cc1 248093420 HQPFZCOCKIJOOR-CNFQODSWSA-N 419.393 2.209 5 40 HEBB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408624463 UIKGOJILULBRRK-NRULLWLTSA-N 401.806 2.240 5 40 HEBB Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)n3c(c2n(C)c1=O)[C@@H](c1ccco1)OCC3 9058588 UTFWFYACGDSIBQ-LJQANCHMSA-N 422.397 2.327 5 40 HEBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N3CCC[C@@H](CO)C3)c([N+](=O)[O-])c2)C1 15210072 GXIQHGJPCNMDLY-BZUAXINKSA-N 411.524 2.470 5 40 HEBB Cc1n[nH]cc1CCCNC(=O)[C@H](C)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 95397411 IEVCEZDEWYSXMD-LLVKDONJSA-N 407.858 2.395 5 40 HEBB COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247850610 RLECGFLZYIEZDY-MKXGPGLRSA-N 419.393 2.283 5 40 HEBB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)c1c[nH]nc1[N+](=O)[O-] 549201302 HMBXEDMMYFROGH-INIZCTEOSA-N 414.397 2.473 5 40 HEBB O=C(c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCOCC1 30857055 ALTVHKKXVCWEKB-UHFFFAOYSA-N 405.432 2.009 5 40 HEBB CCOc1ccc(C(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 40059625 KIAMUHUPAYVYEV-ZDUSSCGKSA-N 408.436 2.110 5 40 HEBB CCOc1cccc(CNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220419530 SEPBIHCYWPZJQB-AWEZNQCLSA-N 421.475 2.464 5 40 HEBB COC(=O)c1sc2ncn3nc([C@@H](C)n4cc([N+](=O)[O-])c(OC)n4)nc3c2c1C 2789977 OJZNAYGVYJNKTN-MRVPVSSYSA-N 417.407 2.157 5 40 HEBB COc1ccc(CNC(=O)COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC 3441993 JBIUTTFTBKWCAX-UHFFFAOYSA-N 404.375 2.094 5 40 HEBB Cc1ccc(F)cc1NC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 3503188 BFKLCYHCWUSMRD-UHFFFAOYSA-N 410.379 2.241 5 40 HEBB COc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] 12808889 PMQKEIGHRBRHII-UHFFFAOYSA-N 412.402 2.099 5 40 HEBB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)c([N+](=O)[O-])c1 40059588 WRSLCGVPACAJHI-UHFFFAOYSA-N 419.459 2.316 5 40 HEBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)N[C@@H](C)C1CC1 42171760 XYHPIZBRYKCIPT-LBPRGKRZSA-N 402.407 2.251 5 40 HEBB Cc1c(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] 408702066 ATDDWVCYGWSOIJ-UHFFFAOYSA-N 407.448 2.312 5 40 HEBB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 409075541 RNHVMSGQBDLNRF-SAIXKJTDSA-N 421.431 2.029 5 40 HEBB CC1CCN(S(=O)(=O)c2ccc(N3CCC[C@H]3C(=O)N(C)C)c([N+](=O)[O-])c2)CC1 24717623 VRSGLPHUDGLTBQ-KRWDZBQOSA-N 424.523 2.072 5 40 HEBB O=C(Nc1ccccc1)C1CCN(C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 39983319 HFUGZXNXBBUQMN-UHFFFAOYSA-N 424.413 2.380 5 40 HEBB O=C(COC(=O)c1ccc(N2CCCC2)nn1)Nc1cc([N+](=O)[O-])ccc1Cl 58223016 VOLOTSLYJGYHMW-UHFFFAOYSA-N 405.798 2.434 5 40 HEBB COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3N3CCCN23)cc1 100798551 LFJYIJPHPSWGEJ-FHWLQOOXSA-N 408.414 2.139 5 40 HEBB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1cccc([N+](=O)[O-])c1 225287392 AUTWKIFCPDMSAP-UHFFFAOYSA-N 401.510 2.153 5 40 HEBB Cc1ccc(N2C[C@H](C(=O)OCN3C(=O)c4ccccc4C3=O)CC2=O)cc1[N+](=O)[O-] 408650877 BVHNGJLHSSIHJC-CYBMUJFWSA-N 423.381 2.053 5 40 HEBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2)CC1=O 8433864 JGOATBGOFKLXKG-CYBMUJFWSA-N 413.386 2.138 5 40 HEBB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 103523389 FLBVUNVQDLPVID-AKHDSKFASA-N 416.393 2.192 5 40 HEBB COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1N1C(=O)CCC1=O 224264328 QJQQUKVVWYAXKT-UHFFFAOYSA-N 419.415 2.366 5 40 HEBB O=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 7073440 OOBYPUMGQHAPPD-UHFFFAOYSA-N 410.430 2.202 5 40 HEBB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 9671859 CRGQBRPWQPDATB-UHFFFAOYSA-N 424.406 2.388 5 40 HEBB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C2CCCCCC2)c([N+](=O)[O-])c1 12943896 ZTTYIAQNAYKICR-UHFFFAOYSA-N 419.525 2.188 5 40 HEBB O=C1[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 33667775 WMOIDSVFHDUYQF-QSNWEANLSA-N 418.409 2.026 5 40 HEBB O=C1NCCN1C1CCN(c2ccc([N+](=O)[O-])c(I)c2)CC1 52486954 QENKFVNXXOZXDP-UHFFFAOYSA-N 416.219 2.193 5 40 HEBB CCS(=O)(=O)[C@](Cl)(I)[C@H](O)c1ccc([N+](=O)[O-])cc1 96520098 HAOBFEPXMLRSGD-NXEZZACHSA-N 419.624 2.391 5 40 HEBB COc1ccc(S(=O)(=O)NCCc2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] 12918348 GRHHWSFHODIHRT-UHFFFAOYSA-N 402.432 2.310 5 40 HEBB COc1ccccc1OCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 14894460 AEIYCWAMXKDNKQ-UHFFFAOYSA-N 401.419 2.249 5 40 HEBB O=C1N[C@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(O)=Nc2ccccc21 36594980 WPOJSMYKNYDWKZ-GOSISDBHSA-N 423.429 2.034 5 40 HEBB C[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccccc21 5957045 VPRZOIANXSPBLK-AWEZNQCLSA-N 411.414 2.236 5 40 HEBB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC 33751206 GJYXQTYZTKUHAP-LBPRGKRZSA-N 423.447 2.226 5 40 HEBB CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](c4ccccc4)C[C@@H]32)C1=O 9128882 IGIWMSQJNVGVPB-REDKUUPNSA-N 420.425 2.208 5 40 HEBB C[C@H](OC(=O)C1=COCCO1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 11444760 DEJXYNQDAYXTKQ-JTQLQIEISA-N 405.388 2.477 5 40 HEBB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20857190 LJEYMQNAZGXVJX-HUUCEWRRSA-N 405.451 2.378 5 40 HEBB Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cccc1[N+](=O)[O-] 16740348 CPTQHVGIWJEFHM-UHFFFAOYSA-N 418.475 2.092 5 40 HEBB O=C(NCc1ccc(-n2cncn2)nc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 48300856 YEHWEKGADDCUIN-UHFFFAOYSA-N 407.434 2.103 5 40 HEBB COc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)cc1 3406350 NAYRIMIJAODDES-UHFFFAOYSA-N 400.420 2.307 5 40 HEBB O=C(O)/C=C/C(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@]12C(=O)Nc1ccccc12 9304938 GCRLRAZMKHKUMW-NDDJGDGRSA-N 406.354 2.020 5 40 HEBB COc1ccc(-c2noc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)c(OC)c1 223769874 YTDSFIKADUITOS-UHFFFAOYSA-N 420.403 2.141 5 40 HEBB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 4981477 BOQNALBMIRWPLB-DNVCBOLYSA-N 402.495 2.484 5 40 HEBB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 9283942 IVLFNFYOZHUWSC-WSVATBPTSA-N 423.385 2.498 5 40 HEBB COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N3)cc1 20720918 UUDWAEJAXOJMDO-HNNXBMFYSA-N 408.374 2.384 5 40 HEBB COc1ccccc1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 4746792 WMOBTAXUDIGGBL-UHFFFAOYSA-N 400.391 2.403 5 40 HEBB O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN12 8380944 QRAXTPMBZOPHQS-YRXWBPOGSA-N 405.410 2.430 5 40 HEBB CCOC(=O)C1CCN(C(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 4219517 HCACHCKSMGKWLA-UHFFFAOYSA-N 410.448 2.032 5 40 HEBB Cc1ccc(C(=O)N2CCN(c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)CC2)cc1 4458511 VCTCQDJWOIOJCR-UHFFFAOYSA-N 409.446 2.056 5 40 HEBB O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccccc2)CC1 8379669 SHWXPIMABILWNV-ZHACJKMWSA-N 401.444 2.141 5 40 HEBB COC(=O)c1ccccc1C(=O)c1ccc(N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 32905399 VZCWMFKAJKDXKP-CYBMUJFWSA-N 418.427 2.211 5 40 HEBB COc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCC(=O)OC(C)C 408599838 MELDZUQQFUZZCH-GQCTYLIASA-N 405.363 2.305 5 40 HEBB CCc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 223775946 ADMVKZZZQHDGJF-UHFFFAOYSA-N 421.475 2.118 5 40 HEBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 7006585 BPRJPESSDSTLIW-LLVKDONJSA-N 401.350 2.497 5 40 HEBB COc1ccc(C(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(OC)c1 13070948 QOBKMBVRJPHZCK-UHFFFAOYSA-N 423.399 2.055 5 40 HEBB COc1cc(CCNS(=O)(=O)c2cc(F)ccc2F)c([N+](=O)[O-])cc1OC 15362707 RFWWDRMKTIJADQ-UHFFFAOYSA-N 402.375 2.411 5 40 HEBB COc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3cc(C)no3)CC2)c([N+](=O)[O-])c1 22254906 LNOLDYWCKAAOCK-CQSZACIVSA-N 403.439 2.045 5 40 HEBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](C)Cn1ccnc1 48235835 DGLPAKBIXVQWAP-WBMJQRKESA-N 407.858 2.404 5 40 HEBB COC(=O)C(=O)/N=c1\sc2cc(C)ccc2n1CC(=O)c1ccc([N+](=O)[O-])cc1 103746379 YTRBANRAYQRPHR-VXPUYCOJSA-N 413.411 2.403 5 40 HEBB O=C(NC(=S)Nc1ccccc1O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408624499 UTBQQJYEWYIMFV-UHFFFAOYSA-N 402.432 2.264 5 40 HEBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12521630 APGMTSHCELMCNH-UHFFFAOYSA-N 419.459 2.033 5 40 HEBB O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1CN(c1ccc(Cl)cc1)CN=2 5064412 XECZLFFBWOEXFG-SXGWCWSVSA-N 400.847 2.355 5 40 HEBB C[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)Nc1ccccc1[N+](=O)[O-] 5239793 OKVCUKYWXGJIKC-OLZOCXBDSA-N 401.375 2.107 5 40 HEBB O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccc(F)cc1 9378788 HPMJPJBCIRHCKE-UHFFFAOYSA-N 420.828 2.466 5 40 HEBB Cc1cccc(C(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 13159782 IEAUSSBZWOWSFW-OAHLLOKOSA-N 424.475 2.018 5 40 HEBB Cc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc(C(=O)O)c1O 20142696 IZPJVPUHFQEBPI-UHFFFAOYSA-N 401.375 2.396 5 40 HEBB COc1ccc(Cn2ccc3nc4ccn(-c5nc(C)n[nH]5)c(=O)c4cc3c2=O)cc1 36125568 LWKBIRXGIPSBAN-UHFFFAOYSA-N 414.425 2.184 5 40 HEBB COc1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1 40115940 CNPRBALOWOHNRD-HIFRSBDPSA-N 409.395 2.239 5 40 HEBB COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1OC 220024987 QGWYVDCTIYLTAJ-UHFFFAOYSA-N 423.447 2.325 5 40 HEBB CCC(CC)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 6777822 KABWJMZPMQKBTB-UHFFFAOYSA-N 401.485 2.309 5 40 HEBB COC(=O)[C@@]1(C(F)(F)F)N=C2Sc3cc([N+](=O)[O-])ccc3N2C(N(C)C)=N1 12413917 WCVCUPYTTYJIQF-ZDUSSCGKSA-N 403.342 2.226 5 40 HEBB COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224900315 OEJADTRCYULUOU-UHFFFAOYSA-N 421.431 2.230 5 40 HEBB O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 6829782 HDLOIHOSCMRFQP-OAQYLSRUSA-N 409.398 2.441 5 40 HEBB NC(=O)CN1c2ccccc2C(=O)N[C@H]1c1ccc(Br)c([N+](=O)[O-])c1 40050599 QQMKBAIJYYTMEC-OAHLLOKOSA-N 405.208 2.091 5 40 HEBB O=C1CN(C(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc2N1 9120505 QOWPBDPWEJNOGA-UHFFFAOYSA-N 424.413 2.337 5 40 HEBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224809712 BSOFEMXPNCQULV-UHFFFAOYSA-N 424.431 2.370 5 40 HEBB O=C(NN1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O)c1ccc(O)cc1 3067060 RMLNGMYDPRHQOF-UHFFFAOYSA-N 422.309 2.303 5 40 HEBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN12 9045233 WZBGXKYTPCROJF-MKXGPGLRSA-N 405.410 2.430 5 40 HEBB CCOc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c([N+](=O)[O-])c1 5869525 GOASMIITLQNJIE-BLVKFPJESA-N 404.423 2.433 5 40 HEBB COc1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c(OC)c1 9124979 WYMDSCJPUCWRGZ-UHFFFAOYSA-N 423.447 2.377 5 40 HEBB Cc1ccc(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 10834058 JFUDWUDLQVLIGS-AWEZNQCLSA-N 407.448 2.124 5 40 HEBB COc1cc(C(=O)Nc2cn(C)cc(Br)c2=O)c([N+](=O)[O-])cc1F 1521320176 FRQAARQEGREHJM-UHFFFAOYSA-N 400.160 2.456 5 40 HEBB CC(C)N1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)NC1=S 8742945 VLVUMFFSSUZIMU-DNVCBOLYSA-N 402.476 2.148 5 40 HEBB O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 16753454 SLWOFWJMWJSQFM-MRXNPFEDSA-N 422.434 2.329 5 40 HEBB Cc1c(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cccc1[N+](=O)[O-] 38860282 KBHVYEJCEUMXOT-QGZVFWFLSA-N 405.432 2.459 5 40 HEBB Cc1ccc(OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 13149836 FZHRXCYOIXHCLG-UHFFFAOYSA-N 422.459 2.382 5 40 HEBB Cc1ccc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)cc1[N+](=O)[O-] 47266581 WBJCMJWOPDVCQV-UHFFFAOYSA-N 405.476 2.214 5 40 HEBB O=C(NC1=NCCS1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 12526079 VNGLBFQSNAAQJR-UHFFFAOYSA-N 406.445 2.228 5 40 HEBB Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)o1 20407334 ACCNSISQZGDVAR-UHFFFAOYSA-N 400.435 2.295 5 40 HEBB COc1ccc(-c2noc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)c(OC)c1 223761291 SXZUABJQSUIQNT-UHFFFAOYSA-N 420.403 2.141 5 40 HEBB Cc1nc2sc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3)c(C)c2c(=O)[nH]1 9223788 RKKCOAQVQUTGTL-UHFFFAOYSA-N 402.388 2.305 5 40 HEBB O=C(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 12979918 PDOQIHJHBZTZAD-UHFFFAOYSA-N 415.471 2.230 5 40 HEBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224838009 FXPWKVIYGYQCHD-UHFFFAOYSA-N 422.415 2.124 5 40 HEBB O=C1N/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(=O)N1Cc1ccccc1F 409107241 RJFUZBICBFAPNZ-AWNIVKPZSA-N 402.294 2.441 5 40 HEBB O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 6144238 GTRBZIZOZDHQCO-UHFFFAOYSA-N 420.447 2.182 5 40 HEBB C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCN(C)CC1 23181891 LKACAHQFTOBJDC-KSSFIOAISA-N 424.548 2.312 5 40 HEBB CNc1ccc(C(=O)c2ccccc2C(=O)N2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] 28273638 ANZNUQRLVKPVGD-UHFFFAOYSA-N 410.430 2.205 5 40 HEBB COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 224773986 OOBMKQAJIMZWEA-UHFFFAOYSA-N 410.404 2.200 5 40 HEBB COc1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1OC 9662004 FFCWYDLOGXLEQG-UHFFFAOYSA-N 423.447 2.377 5 40 HEBB C[C@H](OC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccccc1 12943516 CWDFUSRZVVVWHH-NEPJUHHUSA-N 411.370 2.150 5 40 HEBB CC[C@@H]1CCCCN1C(=O)COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 28830508 NSYBDIMFGTXICO-CYBMUJFWSA-N 409.464 2.120 5 40 HEBB Cc1cc([N+](=O)[O-])ccc1C(=O)NS(=O)(=O)CCC(=O)OCc1ccccc1 89587576 NRNHDVUGZRIXJH-UHFFFAOYSA-N 406.416 2.096 5 40 HEBB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1C(=O)c3ccccc3C1=N2 649636 PHSRBMIRXRLMSD-JKSUJKDBSA-N 416.393 2.071 5 40 HEBB O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCOCC2)c1 15111469 FLTQMIVWZUSHME-UHFFFAOYSA-N 407.404 2.088 5 40 HEBB COC(=O)c1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc([N+](=O)[O-])c1 15197310 VZSZSEZSNKVVIZ-LLVKDONJSA-N 406.416 2.276 5 40 HEBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)NCCNc1ccc([N+](=O)[O-])c(N)c1 16186297 GLYKVLOSQPBIQJ-UHFFFAOYSA-N 418.410 2.002 5 40 HEBB C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)cn2)C[C@@H](C)O1 40142672 ZOBXMNQVTUOGOZ-ZIAGYGMSSA-N 423.433 2.436 5 40 HEBB C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]12 409332027 GIVYRJYPQZIHKZ-UDKICSLYSA-N 406.394 2.457 5 40 HEBB CCOC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225007812 RCTMSPNARXRDJF-UHFFFAOYSA-N 422.415 2.124 5 40 HEBB Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 12914850 XDNNHSPTEATXFP-UHFFFAOYSA-N 424.255 2.234 5 40 HEBB Cc1c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220029015 JZOMATAZSLGMNN-UHFFFAOYSA-N 408.392 2.216 5 40 HEBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224811206 VRTGGHHRZDAVOV-UHFFFAOYSA-N 424.431 2.289 5 40 HEBB COc1ccccc1N1C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 4393625 SFBXONOUYYIQBC-CVEARBPZSA-N 403.416 2.216 5 40 HEBB CCOC(=O)[C@@H]1CCCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])C1 5688593 BVEQABXNXXBSPJ-CQSZACIVSA-N 413.496 2.405 5 40 HEBB Cc1ccc(OC[C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 22348133 DSVQOOYAHPMKIW-HNNXBMFYSA-N 421.475 2.253 5 40 HEBB CNS(=O)(=O)Cc1ccc(CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1 31587638 LTXGQBWEBAKVHJ-UHFFFAOYSA-N 421.475 2.038 5 40 HEBB Cc1cc(=O)c(C(=O)Nc2c[nH]nc2-c2ccccn2)nn1-c1ccccc1[N+](=O)[O-] 89568471 XAYMEZKLFYTOJM-UHFFFAOYSA-N 417.385 2.487 5 40 HEBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4O[C@@H]([C@H]5ON=C(c6ccc([N+](=O)[O-])cc6)[C@H]45)[C@@H]3C2=O)cc1 102850731 YNTRSSRUMSYCTL-QWFGBESBSA-N 419.393 2.209 5 40 HEBB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 216440747 NJBXOXLUGOYRRZ-UHFFFAOYSA-N 410.404 2.341 5 40 HEBB Cc1cc(C(=O)OCCN(C)C2=NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] 95481974 WWQRFRUZZGEYSG-UHFFFAOYSA-N 403.416 2.141 5 40 HEBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCCN12 230045997 WZBGXKYTPCROJF-HCXYKTFWSA-N 405.410 2.430 5 40 HEBB Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 95447954 XVEKQOBMHCMYPZ-UHFFFAOYSA-N 403.413 2.215 5 40 HEBB C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCN1S(C)(=O)=O 95463733 FYCDXIVSAKAMJU-AWEZNQCLSA-N 419.459 2.493 5 40 HEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O 113936893 JLGIKXOKJHQJAV-UHFFFAOYSA-N 419.525 2.017 5 40 HEBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(F)cc1 408670222 WXPZLRTYZHBCKX-LBPRGKRZSA-N 401.350 2.269 5 40 HEBB Cc1ccccc1CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 36446971 WGKXDVDRVIAIST-UHFFFAOYSA-N 404.492 2.451 5 40 HEBB CCOC(=O)C1=NN(c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 100070641 IJHLTWABXCIDLM-SJLPKXTDSA-N 422.397 2.201 5 40 HEBB O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 103530059 QRAXTPMBZOPHQS-NCXUSEDFSA-N 405.410 2.430 5 40 HEBB Cc1cccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C 223915294 VLRPWSGILNBMKA-UHFFFAOYSA-N 421.475 2.173 5 40 HEBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N2CCC[C@@H](C(N)=O)C2)cc1 12553691 VVDFMZXLAJOGAB-OAHLLOKOSA-N 413.430 2.373 5 40 HEBB CN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)CCOC(=O)c1ccc([N+](=O)[O-])cc1 1577318 JJHLPONBRVNLCN-UHFFFAOYSA-N 417.374 2.449 5 40 HEBB CN(C)c1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)n(C)c(=O)n2C 408526370 BEMZGCSXQPJDAE-UHFFFAOYSA-N 414.378 2.012 5 40 HEBB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)COc1ccccc1[N+](=O)[O-] 3449087 HBFNJNMIXRDIDG-UHFFFAOYSA-N 414.418 2.419 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O 10335414 AHTJCCBOWQDLAF-UHFFFAOYSA-N 407.404 2.037 5 40 HEBB O=C(CNc1ccc(F)c([N+](=O)[O-])c1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11160796 JFDARBMSPXWJRW-HNNXBMFYSA-N 407.423 2.366 5 40 HEBB CC(C)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 101994171 BSIKUHLEOMYPKY-AYMMHLMVSA-N 420.425 2.176 5 40 HEBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 5708598 ZXGXZWFBLUJGID-UHFFFAOYSA-N 414.370 2.200 5 40 HEBB COc1ccc(OC)c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c1 6831470 HTSCHJJKXIOWFK-UHFFFAOYSA-N 404.375 2.056 5 40 HEBB O=C(Cn1c(=O)c(N2CCCC2)nc2ccc([N+](=O)[O-])cc21)NCc1ccccc1 12922446 BSKPMCNVOKVYEL-UHFFFAOYSA-N 407.430 2.221 5 40 HEBB Nc1nc(N2CCCCC2)nc2c1[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 20674010 BMPXGSVCRFDNSW-ZDUSSCGKSA-N 411.422 2.022 5 40 HEBB O[C@H](COC[C@@H]1COc2ccccc2O1)C[N+]1(Cc2ccccc2)CCOCC1 2692824 ABLIITXQHKILBI-LEWJYISDSA-N 400.495 2.251 5 40 HEBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1c[nH]c2ccccc12 6549359 YAKZUKPFFXNHCO-UHFFFAOYSA-N 407.338 2.098 5 40 HEBB COc1ccc([C@@H](CNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)N2CCCC2)cc1 12991323 XBTMAOLPWQRJMV-GOSISDBHSA-N 401.467 2.370 5 40 HEBB C[C@H](C(=O)N1CCc2ccccc2C1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220403865 UPAYIFVJQYEVKE-CQSZACIVSA-N 403.460 2.334 5 40 HEBB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 1312893 FDZPDWQOFWXZEN-WTGUMLROSA-N 418.409 2.371 5 40 HEBB O=C(Nc1ncc([N+](=O)[O-])s1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 10187821 YURZOAPZYMMVQF-UHFFFAOYSA-N 401.360 2.422 5 40 HEBB C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1 11672845 QPIFLSABHIZKMO-QWHCGFSZSA-N 420.443 2.421 5 40 HEBB COc1cccc(CN(C)c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1 12517602 HZDCTABWVYVCLB-UHFFFAOYSA-N 421.475 2.261 5 40 HEBB O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(Cc2ccc3c(c2)OCO3)CC1 20493954 LWECOMPEUORYTM-UHFFFAOYSA-N 414.374 2.190 5 40 HEBB Cc1ccccc1OC[C@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 22348124 FCQGHXXOVIEQIC-HNNXBMFYSA-N 421.475 2.253 5 40 HEBB O=C1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40399223 PTJOYNNXEAKHRS-AWEZNQCLSA-N 420.385 2.486 5 40 HEBB COC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220401734 TURBXKCQKRJFMA-LBPRGKRZSA-N 421.431 2.175 5 40 HEBB O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 2334693 WMOIDSVFHDUYQF-SUWCGCSTSA-N 418.409 2.026 5 40 HEBB CC[C@H](C)Sc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C 4139148 UDTWEPXIUFIUOZ-JTQLQIEISA-N 401.448 2.493 5 40 HEBB O=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NC1CC1 5753233 PDRLUHLYGOKRGZ-UHFFFAOYSA-N 413.386 2.048 5 40 HEBB CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C 12754992 LBBWQGVJQLFNMN-UHFFFAOYSA-N 420.491 2.180 5 40 HEBB O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1 12799502 VHJDURDOHRBMIO-IBGZPJMESA-N 415.471 2.333 5 40 HEBB O=C(NCCCN1CCCC1=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 23187121 WLQQWDTUXAFSAM-HKUYNNGSSA-N 400.479 2.255 5 40 HEBB CCOc1ccc(N2C[C@H](C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 29697141 LHRDXDHNPKJQBA-DNVCBOLYSA-N 413.430 2.196 5 40 HEBB CCO[C@H](C)C(=O)OC[C@H](C(=O)OC1C[C@@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)c1ccccc1 104325514 BWDLFAFAWSQDLQ-IKIFIKHLSA-N 418.510 2.039 5 40 HEBB COc1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC 220402642 LIZATFYCYGKVFH-GFCCVEGCSA-N 423.447 2.405 5 40 HEBB CC(C)[C@@H](Nc1nc(N[C@H](Cc2ccc(O)cc2)C(=O)O)ccc1[N+](=O)[O-])C(=O)O 4106684 HQDRVMYJPUDNJF-CZUORRHYSA-N 418.406 2.324 5 40 HEBB Cc1nc(CN(C)C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)nc2ccccc12 58329173 MZBCMVCAHOKZLQ-UHFFFAOYSA-N 421.413 2.230 5 40 HEBB COc1cccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 4387472 KYJIKTKWAURKAV-IRXDYDNUSA-N 403.416 2.216 5 40 HEBB C[C@H]1CN(CCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 12557643 YFLGQDIYZMCZSF-CALCHBBNSA-N 404.511 2.427 5 40 HEBB Cn1c(=O)c([N+](=O)[O-])c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21 20503029 SUTORUKTZRYGRM-UHFFFAOYSA-N 422.441 2.498 5 40 HEBB COc1ccccc1CCNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 21901974 FLAMENHYQWIGDG-UHFFFAOYSA-N 408.414 2.430 5 40 HEBB O=c1/c(=C/c2cccc([N+](=O)[O-])c2O)sc2nc3cc(Br)cnc3n12 408721146 LGNOSVPXDNKLBG-WCIBSUBMSA-N 419.216 2.228 5 40 HEBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc([N+](=O)[O-])c3)cc2)C1 25451854 VSOASVVHGUGPHS-ZIAGYGMSSA-N 421.479 2.097 5 40 HEBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccnn1Cc1ccc(Br)cc1 28483372 MXFQZKDGWDVJKF-UHFFFAOYSA-N 405.212 2.437 5 40 HEBB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2O[C@H]3[C@H]3C(c4cccc([N+](=O)[O-])c4)=NO[C@H]23)cc1 103524199 HQPFZCOCKIJOOR-VBQNUUEISA-N 419.393 2.209 5 40 HEBB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 6119979 YQVQOXQRNXHRSE-UHFFFAOYSA-N 415.324 2.439 5 40 HEBB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 9667387 ZAGBNQDEKOAOMB-UHFFFAOYSA-N 404.404 2.474 5 40 HEBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)/c1=N\C(C)=O 101152810 ALIZLWMLQQJGCS-ATJXCDBQSA-N 420.425 2.223 5 40 HEBB CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@@H](c1ccc([N+](=O)[O-])o1)N=2 108216771 VWFPEXZZRNDPBC-WASHYIJTSA-N 405.432 2.160 5 40 HEBB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1[N+](=O)[O-] 2621570 RNFJZXBYKFJFSA-UHFFFAOYSA-N 405.432 2.176 5 40 HEBB COC(=O)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1cc(F)ccc1F 58316792 JTGFYYSFFJQIRC-HNNXBMFYSA-N 416.358 2.074 5 40 HEBB CS(=O)(=O)C(Br)(Br)[C@H](O)c1cccc([N+](=O)[O-])c1 96520820 BSPZHPFXGNJMCC-MRVPVSSYSA-N 403.048 2.116 5 40 HEBB COc1cc(C(=O)OCC(=O)N(C)Cc2ccsc2)c([N+](=O)[O-])c(OC)c1OC 25203840 BAFXVZRJEPDKJY-UHFFFAOYSA-N 424.431 2.498 5 40 HEBB CN1CCN(S(=O)(=O)c2ccc(NCc3ccccc3F)c([N+](=O)[O-])c2)CC1 36446846 IFULYZVOFWRFKS-UHFFFAOYSA-N 408.455 2.282 5 40 HEBB CNc1ccc(C(=O)OCC(=O)NCc2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] 5363409 ZKMUVIGQFFIQEC-UHFFFAOYSA-N 403.391 2.127 5 40 HEBB O=C(CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1)NC[C@H]1CCCO1 8821968 QXWCEPMXPJPRIJ-SNVBAGLBSA-N 423.476 2.086 5 40 HEBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)N2CCCCCC2)cc1[N+](=O)[O-] 9283813 FBYLHBRADSSZMG-UHFFFAOYSA-N 419.463 2.434 5 40 HEBB O=C(OCc1nc2ccsc2c(=O)[nH]1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9465188 MJACDKUPYMEVJA-UHFFFAOYSA-N 416.415 2.086 5 40 HEBB CS(=O)(=O)c1ccc(N[C@@H](CN2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 12641127 XVWPOSBVNCXSCK-SFHVURJKSA-N 405.476 2.484 5 40 HEBB CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@H](C)C[C@@H]32)C1=O 103018396 SCIVFTCMBZHOHJ-BXJCWQANSA-N 400.435 2.231 5 40 HEBB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccccc1[N+](=O)[O-] 9283043 YYPNKCMHZAEHPZ-UHFFFAOYSA-N 406.420 2.260 5 40 HEBB CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 40114820 BESCTAVNROOUCL-CRAIPNDOSA-N 424.523 2.311 5 40 HEBB O=C(Oc1ccc(N2C(=O)CCC2=O)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408649936 AQJQIZPJENOMFA-CYBMUJFWSA-N 423.381 2.207 5 40 HEBB O=C(COc1ccccc1[N+](=O)[O-])OCC(=O)c1cc2c3c(c1)CC(=O)N3CCC2 7779321 FKCOHPYBYKNMMQ-UHFFFAOYSA-N 410.382 2.235 5 40 HEBB COc1ccccc1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12521845 VQTPQGHZPAGWSW-UHFFFAOYSA-N 400.387 2.480 5 40 HEBB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 224196381 VUIVDUOQENETMT-IZZDOVSWSA-N 419.459 2.054 5 40 HEBB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408622846 WIYSDAKIYASQJO-UHFFFAOYSA-N 407.448 2.470 5 40 HEBB Cc1ccc(C(=O)NCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] 10303369 CFMHTFWRLHSMEH-UHFFFAOYSA-N 407.430 2.477 5 40 HEBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCCCn1cccn1 30171698 PEMACICKBXDWTM-INIZCTEOSA-N 407.858 2.406 5 40 HEBB CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113893454 OVMGSFFMMDPDFK-UHFFFAOYSA-N 424.431 2.370 5 40 HEBB Cc1c(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cccc1[N+](=O)[O-] 219437579 CQMPXHIKWPRWNG-UHFFFAOYSA-N 403.416 2.467 5 40 HEBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCc4ccccc4[C@H]32)C1=O 8914407 NJGXHXICUJQOTH-SFHVURJKSA-N 420.425 2.292 5 40 HEBB CN(C)C(=O)COc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 24625771 MWQREFAIZJIARK-UHFFFAOYSA-N 409.402 2.500 5 40 HEBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCCN21 57063787 WZBGXKYTPCROJF-MANSERQUSA-N 405.410 2.430 5 40 HEBB Cc1c(N(CC(=O)NCCCc2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220033636 LODSQPGLXOKKOR-UHFFFAOYSA-N 405.476 2.418 5 40 HEBB COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224811618 HHMUBSXWJXOHAU-UHFFFAOYSA-N 424.431 2.289 5 40 HEBB CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cn2cc([N+](=O)[O-])cn2)cc1 2794584 BMXUZXJNOUPWOB-UHFFFAOYSA-N 415.431 2.000 5 40 HEBB C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cccc(O)c1 58281674 KHSXQMUYDRIDMU-CYBMUJFWSA-N 407.448 2.494 5 40 HEBB CCc1cc(NC[C@@H](Cc2cnn(C)c2)C(N)=O)nc(-c2ccc([N+](=O)[O-])cc2)n1 89282899 CIQUULPWVZTXNE-OAHLLOKOSA-N 409.450 2.104 5 40 HEBB COC(=O)[C@@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 103559429 RLECGFLZYIEZDY-OKYOBFRVSA-N 419.393 2.283 5 40 HEBB COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 219823797 JPSJXFUXSMXQIU-UHFFFAOYSA-N 420.374 2.425 5 40 HEBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(OC)c1OC 408569749 XOJTZZNLDRNVMP-ZEDFQPKGSA-N 413.430 2.281 5 40 HEBB CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(F)ccc1OC 13581232 ITEMLWLWHMQCNF-UHFFFAOYSA-N 411.411 2.392 5 40 HEBB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 16120390 FHLAHAVSEMZHIF-UHFFFAOYSA-N 408.388 2.277 5 40 HEBB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 16399919 KTKMRHCQLNNDLG-UHFFFAOYSA-N 405.432 2.397 5 40 HEBB Cc1nn(CCCC(=O)n2cc(I)cn2)c(C)c1[N+](=O)[O-] 1431342 GHWSLQWAXGDTQG-UHFFFAOYSA-N 403.180 2.330 5 40 HEBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(Cl)cc1C(=O)O 4824212 SQXARQGOHDKXNM-UHFFFAOYSA-N 403.734 2.181 5 40 HEBB COc1ccc(CCNC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 220026741 CXKXPRCIFCHRGU-UHFFFAOYSA-N 421.475 2.037 5 40 HEBB O=Cc1cc([N+](=O)[O-])ccc1Nc1nc(=Nc2ccccc2)nc(N2CCOCC2)[nH]1 408674734 GRCLSENJCILCNT-UHFFFAOYSA-N 421.417 2.338 5 40 HEBB Cn1c(SCC(=O)Nc2cc(C(=O)O)cc([N+](=O)[O-])c2)nnc1-c1ccncc1 14944643 ZDIQXUZUNPQZAE-UHFFFAOYSA-N 414.403 2.214 5 40 HEBB COC[C@@H](C)NS(=O)(=O)c1ccc(Nc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 16046401 WOZURUUKLPZNFG-GFCCVEGCSA-N 423.447 2.423 5 40 HEBB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 16124556 UEYWHOQIESZMMY-UHFFFAOYSA-N 413.477 2.426 5 40 HEBB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] 20454810 CELZPMHSQMJOAV-UHFFFAOYSA-N 407.448 2.471 5 40 HEBB O=C(COC(=O)CN1CCCCCC1=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11385494 HNWDAOSBKLRUHB-UHFFFAOYSA-N 417.340 2.498 5 40 HEBB O=C(O)c1cc([N+](=O)[O-])c(N2CCN(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 12375899 KZZADLHUBJJCSO-UHFFFAOYSA-N 400.347 2.164 5 40 HEBB O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 12974653 IQEOQIBQNSOXCM-LZCJLJQNSA-N 407.473 2.203 5 40 HEBB O=[N+]([O-])c1cccc(-c2csc(N3CCN(S(=O)(=O)N4CCCC4)CC3)n2)c1 15108940 HWPKIQQUHXTPQI-UHFFFAOYSA-N 423.520 2.181 5 40 HEBB CCCCNC(=O)CCn1c(=O)c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O 20152936 ZSEADQOWDIMBSV-UHFFFAOYSA-N 424.457 2.426 5 40 HEBB O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 23108122 XMAVTLMXOZNKTD-QGZVFWFLSA-N 409.439 2.086 5 40 HEBB Cc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1 35264472 MQMCEJQXMUQHOU-UHFFFAOYSA-N 418.519 2.476 5 40 HEBB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 109035922 GLUUPGGIQCJCJK-LICLKQGHSA-N 411.370 2.240 5 40 HEBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)O[C@H](C)C3)n2)c1 9411392 BFHXDZLHHDYOMY-GHMZBOCLSA-N 404.427 2.341 5 40 HEBB Cc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)o1 15952829 NOEOOAPQBLYTTR-HNNXBMFYSA-N 408.432 2.091 5 40 HEBB Cc1cc(C(N)=O)ccc1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 40090726 CMOLYPXBXNPUFF-UHFFFAOYSA-N 407.386 2.109 5 40 HEBB CN(C)[C@@H](CNC(=O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 95941557 QYNQWGVBONDUJF-NRFANRHFSA-N 411.506 2.136 5 40 HEBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OCC(=O)N(C)C)c(C)c1 223248350 FEKFVZZJKSDHBF-UHFFFAOYSA-N 407.448 2.479 5 40 HEBB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc([N+](=O)[O-])cc4)cnc32)cc1 4165825 ZULLAMAMRDSIFK-UHFFFAOYSA-N 404.386 2.438 5 40 HEBB C[C@H]1CN(C(=O)c2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc([N+](=O)[O-])c2)C[C@H](C)O1 18008599 PQXIBZQSJUPPAD-ZQDZILKHSA-N 405.451 2.094 5 40 HEBB C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCOCC1 23181859 OPCAHCFFZFPZLQ-DYVFJYSZSA-N 411.505 2.397 5 40 HEBB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1Cc1ccccc1 42650202 HWVPNDZVZMZEKM-UHFFFAOYSA-N 408.414 2.205 5 40 HEBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(OC)c1OC 408564487 DERYXWKAQNFNFA-NQZBTDCJSA-N 413.430 2.234 5 40 HEBB NC(=O)CN1c2ccccc2C(=O)N[C@@H]1c1ccc(Br)c([N+](=O)[O-])c1 40050598 QQMKBAIJYYTMEC-HNNXBMFYSA-N 405.208 2.091 5 40 HEBB Cc1ccc(C)c(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 223995643 BCZDOLMKEPVADA-UHFFFAOYSA-N 421.475 2.173 5 40 HEBB COc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 33397918 BGUIDJGJVBRUQS-UHFFFAOYSA-N 409.420 2.017 5 40 HEBB O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 4318660 DGFMRDXOIQTZRB-AWEZNQCLSA-N 410.473 2.251 5 40 HEBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1[N+](=O)[O-] 7940078 AKLDZXFIODIQCJ-MRXNPFEDSA-N 411.414 2.434 5 40 HEBB CC(C)OC(=O)C[C@H](NC(=O)c1cnc2ccccn2c1=O)c1ccccc1[N+](=O)[O-] 32900184 PWVRLBPPERYUBS-INIZCTEOSA-N 424.413 2.416 5 40 HEBB COc1ccccc1CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 35593281 QOZJZPBRIQOGLF-UHFFFAOYSA-N 420.491 2.152 5 40 HEBB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 32117940 JLTCUGKRDFQHNN-UHFFFAOYSA-N 415.431 2.194 5 40 HEBB Cc1ccccc1C(=O)NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 95377623 HJIHWIFRKVFJGQ-UHFFFAOYSA-N 410.474 2.368 5 40 HEBB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O 408553514 ZQWQPFXQARCJOL-OVCLIPMQSA-N 421.431 2.271 5 40 HEBB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1 5407714 ABLKSLYBFAVTSR-INIZCTEOSA-N 406.464 2.040 5 40 HEBB COc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1 12348767 WYFKTUWRGGZNLL-UHFFFAOYSA-N 400.420 2.307 5 40 HEBB O=C1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40399224 PTJOYNNXEAKHRS-CQSZACIVSA-N 420.385 2.486 5 40 HEBB O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1OC(F)F 3452808 OAARCEYNKNKGNM-UHFFFAOYSA-N 423.328 2.108 5 40 HEBB aggregator CNc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC[C@H]3C)CC2)cc1[N+](=O)[O-] 12553766 CHABHVFZZODXEE-CQSZACIVSA-N 424.523 2.438 5 40 HEBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2C=CC=NN21 17889099 JOOSAWWFWJAWFC-CADBVGFASA-N 416.393 2.192 5 40 HEBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccccc1F 2494485 WWIYWFZFJOMXDV-PLRJNAJWSA-N 420.400 2.243 5 40 HEBB COc1cc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC 15978267 UMRATJCPJMXXFK-UHFFFAOYSA-N 405.319 2.316 5 40 HEBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 23018464 VLVIIHPCWGDAIB-GDBMZVCRSA-N 403.460 2.358 5 40 HEBB CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 69483926 HSFLMHYMGNVYGA-MRXNPFEDSA-N 403.464 2.164 5 40 HEBB O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1cccc([N+](=O)[O-])c1 12806693 OPJUJGHTOCBSRJ-UHFFFAOYSA-N 421.431 2.063 5 40 HEBB Cc1nc([N+](=O)[O-])cn1C[C@@H](O)Cn1c(C)nc(Br)c1Br 13212324 HJCRSYPTHYPQCW-MRVPVSSYSA-N 423.065 2.191 5 40 HEBB CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc[nH]n1 79060791 RHBVZFQEHYZFJX-NSHDSACASA-N 415.859 2.303 5 40 HEBB Cc1c(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cccc1[N+](=O)[O-] 218432126 MLVREYFFQOXTGN-UHFFFAOYSA-N 421.431 2.079 5 40 HEBB CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2cc([N+](=O)[O-])ccc2OC)cc1 224599612 HCZBUKZQMDDWAC-UHFFFAOYSA-N 410.404 2.282 5 40 HEBB CCN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N(CC)C1=S 5896696 OFBQRZJYRBWGHY-MRXNPFEDSA-N 416.503 2.492 5 40 HEBB CCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 16742589 YLVDSFQDZUUOIM-UHFFFAOYSA-N 401.470 2.429 5 40 HEBB CCS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1cccc([N+](=O)[O-])c1 96520118 RIUSNHBFTBYMHQ-ZJUUUORDSA-N 419.624 2.391 5 40 HEBB CC(C)NS(=O)(=O)c1ccc(Sc2nc([C@@H]3CCCO3)n[nH]2)c([N+](=O)[O-])c1 12980274 CRWZGXPCGUJVOR-LBPRGKRZSA-N 413.481 2.402 5 40 HEBB O=C(Cc1c[nH]c2ccccc12)N1CCN(c2ncc([N+](=O)[O-])c(NC3CC3)n2)CC1 40153828 NIBCRSYPXQFBLO-UHFFFAOYSA-N 421.461 2.332 5 40 HEBB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 6566312 SIZUGXLVZDGJGC-AWEZNQCLSA-N 411.414 2.236 5 40 HEBB COc1cccc(NC(=O)CN(C)C(=O)COc2cc([N+](=O)[O-])ccc2OC)c1 27739328 WGKKXPYDJQXNOF-UHFFFAOYSA-N 403.391 2.088 5 40 HEBB O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1Cc1ccccc1 8974816 DWEUHKZXUGFAPK-XMSQKQJNSA-N 420.425 2.385 5 40 HEBB CCS(=O)(=O)N1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)Oc2ccccc21 10009203 HBLHKDIANPGKOQ-QGZVFWFLSA-N 405.432 2.459 5 40 HEBB CCC(CC)[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCOCC1 27369973 XAOXCHFGXZLRPJ-LJQANCHMSA-N 407.515 2.443 5 40 HEBB COc1ccccc1N1C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]2CS(=O)(=O)C[C@H]21 4393686 UFXZDMMMVSOULU-JKSUJKDBSA-N 403.416 2.216 5 40 HEBB CN(Cc1ccccc1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 6636987 XDHOZWGSDVCART-UHFFFAOYSA-N 413.430 2.247 5 40 HEBB Cc1cccc(OCCNC(=O)Cn2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2=O)c1 58060472 WKOTZYACQOKCTM-UHFFFAOYSA-N 410.430 2.359 5 40 HEBB COc1cc(OCC(=O)NCc2cccc(CN3CCOCC3)c2)ccc1[N+](=O)[O-] 224743256 HPONOAOYDQLXTB-UHFFFAOYSA-N 415.446 2.131 5 40 HEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1c2ccccc2C[C@H]1C)S(C)(=O)=O 10449852 GOWZPRPXBGCJNZ-CYBMUJFWSA-N 419.459 2.347 5 40 HEBB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)cc1 10921868 PPRNIRSIRCCQIZ-UHFFFAOYSA-N 414.447 2.230 5 40 HEBB COc1cc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)c([N+](=O)[O-])cc1OC 12949282 DKQJMWYNJLECJU-UHFFFAOYSA-N 417.393 2.349 5 40 HEBB CC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1 25718692 GSZJUBKIUWKSIO-HXUWFJFHSA-N 422.441 2.252 5 40 HEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O 113937048 HSFMZILSFIJGCS-UHFFFAOYSA-N 415.374 2.286 5 40 HEBB O=C(COC(=O)[C@@H]1CCCN1C(=O)c1cccs1)Nc1cccc([N+](=O)[O-])c1 3228378 MKSNWMYMGFCMTB-AWEZNQCLSA-N 403.416 2.443 5 40 HEBB Cc1ccc(C(=O)N2C[C@]3(F)CN(c4ccccn4)C(=O)[C@]3(F)C2)cc1[N+](=O)[O-] 306123894 AZWZFPJKDGKLFE-RBUKOAKNSA-N 402.357 2.217 5 40 HEBB COc1cccc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1 6911356 NGGJXHFPHBFSAE-UHFFFAOYSA-N 407.448 2.236 5 40 HEBB C[C@H](NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc2c(c1)OCO2 16564991 ACWIFZGIVOMPRT-HNNXBMFYSA-N 412.446 2.323 5 40 HEBB Cc1ccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1[N+](=O)[O-] 16964573 BHLNUIVHLRZMIW-IBGZPJMESA-N 411.414 2.170 5 40 HEBB COc1ccc(C(=O)N2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)cc1OC 24209681 BTNSNBKRBARVHV-UHFFFAOYSA-N 411.418 2.222 5 40 HEBB Cc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 12799349 KHQSHLGLZWAVIF-GOSISDBHSA-N 405.476 2.255 5 40 HEBB Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-] 12937061 CMIJCGAPQBABFE-UHFFFAOYSA-N 405.476 2.214 5 40 HEBB COc1cc(C(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)cc(OC)c1OC 20154289 YIAHTFJTIUZBHW-UHFFFAOYSA-N 416.434 2.283 5 40 HEBB Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 24209200 OOGHORFFSLUUQL-LJQANCHMSA-N 405.476 2.255 5 40 HEBB CCOC(=O)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 25022046 YUKQHSQZOPMROS-UHFFFAOYSA-N 413.430 2.499 5 40 HEBB CCOc1cccc(CNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220419463 SEPBIHCYWPZJQB-CQSZACIVSA-N 421.475 2.464 5 40 HEBB O=C(NC(=S)NNc1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 408627122 KKTSMGGTLJSJOU-UHFFFAOYSA-N 401.448 2.063 5 40 HEBB Cc1c(NC(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cccc1[N+](=O)[O-] 3529409 AATJBFMQKVWNFW-UHFFFAOYSA-N 422.397 2.304 5 40 HEBB CC(C)CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4505359 UPCNDLZXLAAUCK-LLVKDONJSA-N 410.901 2.082 5 40 HEBB Cc1c(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 20105783 QPXPUXSAWKEGKP-UHFFFAOYSA-N 402.432 2.335 5 40 HEBB COc1cc(NC(=O)CN2CCN(c3ccccc3O)CC2)c(C)cc1[N+](=O)[O-] 57352214 SRSXBKZJHZGYIJ-UHFFFAOYSA-N 400.435 2.378 5 40 HEBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 83923722 KRXXCVMETIATDK-CYBMUJFWSA-N 417.447 2.214 5 40 HEBB O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1 138895005 BRJSELYEEHWUCS-UHFFFAOYSA-N 416.346 2.404 5 40 HEBB CCOC(=O)c1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224746359 VASUPAOEIVXZRL-UHFFFAOYSA-N 422.415 2.140 5 40 HEBB CC1CCN(c2ccc(C(=O)OCC(=O)NC[C@H]3CCCO3)cc2[N+](=O)[O-])CC1 4868079 PNTXYUPWKHTKBS-MRXNPFEDSA-N 405.451 2.283 5 40 HEBB CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-] 8156057 PNJHRQKEFNWNPS-SXGWCWSVSA-N 401.350 2.393 5 40 HEBB CCNc1nc(NCC)n2nc(SCC(=O)c3cccc([N+](=O)[O-])c3)nc2n1 4528833 FNCNNPPMRKUEKQ-UHFFFAOYSA-N 402.440 2.266 5 40 HEBB Cc1cccc(OCCNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 224058110 QQHVZDZNIFFSKZ-UHFFFAOYSA-N 421.475 2.173 5 40 HEBB CS(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2ccccc2)cc1[N+](=O)[O-] 32676054 AJQPHSOAKCMFOP-UHFFFAOYSA-N 400.416 2.495 5 40 HEBB O=C(CCN1CCN(Cc2cn3ccccc3n2)CC1)Nc1ccccc1[N+](=O)[O-] 32903189 MOZLUIMGLYIILI-UHFFFAOYSA-N 408.462 2.389 5 40 HEBB CC[C@@H](C(=O)NCc1ccccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222518400 OZNBKUQTWKRHFL-KRWDZBQOSA-N 421.475 2.464 5 40 HEBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN12 20231487 QRAXTPMBZOPHQS-MKXGPGLRSA-N 405.410 2.430 5 40 HEBB C[C@@H]1CN(C(=O)C2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)C[C@@H](C)O1 45801707 XDHVQWQPXFRAMT-HUUCEWRRSA-N 401.467 2.250 5 40 HEBB CC(C)(CO)NCCC(=O)N1N=C(c2ccccc2)C[C@@H]1C1=CC[C@H]([N+](=O)[O-])C=C1 95116092 XHESCTDUBGBGFY-UYAOXDASSA-N 412.490 2.274 5 40 HEBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCc1ccccc1)S(C)(=O)=O 13669786 SUHWFWKETPZYEC-UHFFFAOYSA-N 421.475 2.118 5 40 HEBB O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13685985 PTAAMSSDVVNNBX-RQXXJAGISA-N 418.409 2.026 5 40 HEBB COCCn1c(C)cc(C(=O)Cn2cc(Br)cc([N+](=O)[O-])c2=O)c1C 95971862 LZJIXASLCYLZLN-UHFFFAOYSA-N 412.240 2.467 5 40 HEBB Cc1csc(CCNC(=O)CCCn2cnc3ccc([N+](=O)[O-])cc3c2=O)n1 96223314 LKEADPDHKFTZNQ-UHFFFAOYSA-N 401.448 2.209 5 40 HEBB Cc1c2ccncc2c(CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2c3ccccc3n(C)c12 5486948 JRIGURFJUAUMBB-JBJBFBLISA-N 408.454 2.144 5 40 HEBB COc1cccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@H]23)c1OC 18209891 UWXKKHUMNBVSTH-QAPCUYQASA-N 411.370 2.213 5 40 HEBB Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 97664382 YMGWYPKLLMGFDL-GZTJUZNOSA-N 408.374 2.070 5 40 HEBB COc1ccccc1COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 5207077 XZTVWUZEVNBLCY-UHFFFAOYSA-N 408.432 2.203 5 40 HEBB C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1 9339041 SQIPLCUKMVBWBN-ZDUSSCGKSA-N 418.475 2.333 5 40 HEBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225080049 HUHIYOFEJJAZPA-UHFFFAOYSA-N 405.388 2.058 5 40 HEBB CS(=O)(=O)N1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccc(Cl)cc21 22515423 XFZZLARMYYFQPJ-OAHLLOKOSA-N 411.823 2.414 5 40 HEBB CC(=O)c1ccc(N2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)cc1 39969242 ACXZDNZRPWBLNL-UHFFFAOYSA-N 424.413 2.054 5 40 HEBB Cc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C 223776199 ABRBOGUWKCLEKK-UHFFFAOYSA-N 421.475 2.173 5 40 HEBB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4569322 COSDWOFECOBWQA-KRWDZBQOSA-N 403.460 2.486 5 40 HEBB O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccc([N+](=O)[O-])cc1Cl 8135518 KZFGNMOMFZHZDM-UHFFFAOYSA-N 409.757 2.299 5 40 HEBB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2C=CC=NN12 17953011 FLBVUNVQDLPVID-YDZRNGNQSA-N 416.393 2.192 5 40 HEBB C[C@H]1CN(c2ccc(NC(=O)CN3C[C@H](C)O[C@H](C)C3)cc2[N+](=O)[O-])C[C@H](C)O1 13102189 OVKBQVHTBUJAAS-FZKCQIBNSA-N 406.483 2.256 5 40 HEBB COC[C@H](C)NS(=O)(=O)c1ccc(Nc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 16046402 WOZURUUKLPZNFG-LBPRGKRZSA-N 423.447 2.423 5 40 HEBB O=[N+]([O-])c1cccc(-c2nnc(O)c3c2[C@H](c2ccc(O)cc2)n2nnnc2N3)c1 10296742 UADUYVHEWJYIJC-INIZCTEOSA-N 404.346 2.144 5 40 HEBB CCCC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 18040557 RGTXOKLJOOPFBK-UHFFFAOYSA-N 412.512 2.074 5 40 HEBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC(=O)NCc2ccco2)CC1 24278085 WMUUMKMNLZAVLG-UHFFFAOYSA-N 400.435 2.470 5 40 HEBB CS(=O)(=O)NC1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32829228 KBVGBJXNFNDYBW-UHFFFAOYSA-N 412.346 2.040 5 40 HEBB