smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1CCO 428524334 UVHAOPATBBOWDZ-ZDUSSCGKSA-N 400.457 -0.212 5 10 HBBE CN(CCO)C1=C(c2ccc([N+](=O)[O-])cc2)C(=O)N(CCN2CCOCC2)C1=O 169979066 CFHKKNFWTPNZMF-UHFFFAOYSA-N 404.423 -0.069 5 10 HBBE CN1CC[C@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCNC(=O)C2)C1 1517413963 PPXPPPZCKSVKAI-GOSISDBHSA-N 401.427 -0.144 5 10 HBBE CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)CC1 1292920722 NXRMNTVGGPERIU-UHFFFAOYSA-N 419.486 -0.118 5 10 HBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1536791297 MQKGSVMCJNQZJN-ZDUSSCGKSA-N 401.445 -0.247 5 10 HBBE Cc1c([N+](=O)[O-])cc(C(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1[N+](=O)[O-] 1866361182 WLKZRKFSAGDLKP-NEPJUHHUSA-N 417.352 -0.504 5 10 HBBE CS(=O)(=O)N[C@@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 735077621 ADCHYGKKXQKGSS-CQSZACIVSA-N 411.484 -0.133 5 10 HBBE CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865722391 PZTJGVDTBKONKP-NSHDSACASA-N 417.378 -0.472 5 10 HBBE CN(CC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1436607472 UBLQZHRZGOXDOE-ZIAGYGMSSA-N 412.424 -0.669 5 10 HBBE COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 1872993239 PTQHYCHPUIDQQW-RISCZKNCSA-N 404.379 -0.162 5 10 HBBE COC(=O)[C@H]1CSCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1471901282 XDWHQQDQJRSHFE-LLVKDONJSA-N 403.438 -0.010 5 10 HBBE O=C(CN1CC[C@@]2(O)C[C@H]2C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1659442685 WYOKJSVJXGSOQJ-KBXCAEBGSA-N 424.479 -0.116 5 10 HBBE CCN(CCO)c1nc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(C)n1 1870051286 KBPOQMWXAHTIHO-UHFFFAOYSA-N 417.382 -0.223 5 10 HBBE COCCN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 508392929 QQONEKOVCPHUIV-UHFFFAOYSA-N 414.440 -0.420 5 10 HBBE COC(=O)c1ccc([N+](=O)[O-])c(CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 589513541 CLRSLRXSEVYENV-UHFFFAOYSA-N 418.410 -0.156 5 10 HBBE O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1558920333 APPPEUNJGOBQTA-CVEARBPZSA-N 415.443 -0.031 5 10 HBBE Cc1c(C(=O)N[C@H](CC(N)=O)C(=O)NCCCN2CCOCC2)cccc1[N+](=O)[O-] 1861009959 FREOOKORFMMGBU-OAHLLOKOSA-N 421.454 -0.284 5 10 HBBE CN(C)c1ccc(C(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@H]2O)cc1[N+](=O)[O-] 1866340931 SBTZIKOHWZRUCM-QWHCGFSZSA-N 401.397 -0.655 5 10 HBBE O=C(c1cc([N+](=O)[O-])ccc1SCCO)N1CCN2[C@@H](CNS2(=O)=O)C1 1558505273 CXHNQBHHQHBUST-NSHDSACASA-N 402.454 -0.346 5 10 HBBE CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 497048068 BRXRZYGZXWTGQX-ZIAGYGMSSA-N 410.427 -0.056 5 10 HBBE O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1)N1CCOCC1 918190824 GHFSDKLETZOZIJ-UHFFFAOYSA-N 416.431 -0.101 5 10 HBBE CN(CCO)c1nc(=NC(=O)c2ccc([N+](=O)[O-])cc2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870031099 HSUIHXZJNNHJIU-ZDUSSCGKSA-N 424.439 -0.351 5 10 HBBE NC(=O)C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCCN1CCOCC1 1861129296 DMXPDFYBYVVVEG-NFAHFFEMSA-N 419.438 -0.583 5 10 HBBE CCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706347 YYJVZXOYVLOQTP-UHFFFAOYSA-N 407.431 -0.011 5 10 HBBE O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N(CCO)CCN1CCOCC1 513806700 NEDWROQTBDJOGZ-CQSZACIVSA-N 410.427 -0.055 5 10 HBBE CN(C)S(=O)(=O)N1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 461328288 WFKHVGBOBNHTGH-UHFFFAOYSA-N 413.456 -0.335 5 10 HBBE CNC(=O)CN1CCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 1456035627 GIZVRXSMPSZDSZ-UHFFFAOYSA-N 405.411 -0.400 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(N3C[C@@H](O)[C@@H](CO)C3)c([N+](=O)[O-])c2)CC1 1458425895 CFPYVBKBKLCGDT-MLGOLLRUSA-N 400.457 -0.680 5 10 HBBE CN(CC(=O)N1CCC(=O)NCC12COC2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1536423603 WNAYLBHUJVWBBG-UHFFFAOYSA-N 412.424 -0.667 5 10 HBBE NC(=O)CC[C@@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)NCCCNC=O 2330670777 HPNKYUWSCLGZCL-CQSZACIVSA-N 405.411 -0.389 5 10 HBBE CC(=O)NCCCCNC(=O)[C@@H](CO)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867794916 AHUAEEMHELBQSS-CQSZACIVSA-N 409.443 -0.216 5 10 HBBE O=[N+]([O-])c1ccc(N2C[C@@H](CO)[C@@H](CO)C2)c(S(=O)(=O)N2CCOCC2)c1 1651350811 NNWFEFSCOQWUEG-BETUJISGSA-N 401.441 -0.347 5 10 HBBE Cc1c(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCCNC=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861794693 RNDCWSNNCSOWIO-WFASDCNBSA-N 423.382 -0.361 5 10 HBBE O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 512540728 YLNXXXFBWAWJDB-UHFFFAOYSA-N 404.470 -0.179 5 10 HBBE O=C(O)[C@H]1O[C@@H](Oc2ccc3c(=O)oc4cc(O)ccc4c3c2)[C@H](O)[C@@H](O)[C@@H]1O 1848441267 PXDJLSGBCUXAJB-KSPMYQCISA-N 404.327 -0.077 5 10 HBBE CCN(CCO)c1nc(=NCCOCCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520710 LDJFSYLVWFDOAI-UHFFFAOYSA-N 407.431 -0.393 5 10 HBBE O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCN1C(=O)CSC1=O 1872633275 VZDPTJSULYEGCQ-UHFFFAOYSA-N 402.410 -0.315 5 10 HBBE O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 46355877 QJPGOXVBRLAFDH-UHFFFAOYSA-N 414.440 -0.305 5 10 HBBE CCN1CCN(CC(=O)N[C@@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)C(=O)C1=O 1643181300 FAXXZKTXFRINQW-GOSISDBHSA-N 406.395 -0.210 5 10 HBBE NC(=O)C1CCN(c2nc(=NCCO)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871521797 VEYBVCKJSTVAMP-UHFFFAOYSA-N 402.415 -0.527 5 10 HBBE COC(=O)[C@](C)(O)CN1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 565623365 ZZWOIWKTXOBVON-MRXNPFEDSA-N 417.440 -0.166 5 10 HBBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CO)NC(=O)C[C@H]1CCS(=O)(=O)C1 1866585198 DRZXQDNAPXHPIN-ZWNOBZJWSA-N 415.424 -0.156 5 10 HBBE CN(CC(=O)N1CCOCC1)C(=O)Cn1cc([N+](=O)[O-])cc(Br)c1=O 477516235 PZCPMBYUVNWZIS-UHFFFAOYSA-N 417.216 -0.164 5 10 HBBE CN(CC(=O)N[C@@H](CO)CN1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1638118384 HQNVVTJJGWAZBQ-CYBMUJFWSA-N 400.457 -0.212 5 10 HBBE O=C(CN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1)N1CCOCC1 512656606 LSBLICUGANVVIZ-UHFFFAOYSA-N 420.422 -0.017 5 10 HBBE CN(C)S(=O)(=O)c1ccc(N2CCN3CCOC[C@@]3(CO)C2)c([N+](=O)[O-])c1 1187716766 NEGIWMGNTXPGIO-INIZCTEOSA-N 400.457 -0.272 5 10 HBBE CN(C)S(=O)(=O)N1CC(NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 1233944291 JUMOBGDHUHEHMW-UHFFFAOYSA-N 413.460 -0.688 5 10 HBBE COC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 510045618 VMCSXSAIPDYFGK-UHFFFAOYSA-N 400.413 -0.810 5 10 HBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCN1CCC2(C1)OCCO2 1470336226 SYDYVJWKLNDYRI-UHFFFAOYSA-N 404.379 -0.244 5 10 HBBE CCS(=O)(=O)C1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1569037640 RGRGEVYAZZYTTE-UHFFFAOYSA-N 405.454 -0.139 5 10 HBBE O=C(NCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCN(CCO)CC1 217306957 HUDULRXFJBVDJL-UHFFFAOYSA-N 405.411 -0.100 5 10 HBBE Cn1cc(C[C@H](O)C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cn1 468586186 MRLFXIZRNVPCGP-HNNXBMFYSA-N 423.451 -0.235 5 10 HBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C)C[C@H](O)CN1C 1557176520 DPGSEMOEYWOIDJ-BLLLJJGKSA-N 400.457 -0.213 5 10 HBBE Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCN2CCOCC2)ccc1[N+](=O)[O-] 1861819260 HLJLSVSKUNUUFF-NVXWUHKLSA-N 406.439 -0.073 5 10 HBBE CCN(CCO)c1nc(=NCCNC(C)=O)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521373 HSIQFZAGNOBJOF-UHFFFAOYSA-N 404.431 -0.266 5 10 HBBE COc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c([N+](=O)[O-])cc1F 1457601478 QMLJIOMKOASRRQ-KBPBESRZSA-N 417.415 -0.342 5 10 HBBE O=[N+]([O-])c1cnc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(F)c1 1306986364 GTPDGMXTTNXSCN-NSHDSACASA-N 408.433 -0.232 5 10 HBBE Cn1cc(I)c(Cn2cc(S(N)(=O)=O)c([N+](=O)[O-])n2)n1 2367604502 IWPKXUUEPNZWJJ-UHFFFAOYSA-N 412.169 -0.175 5 10 HBBE O=C(NCC(=O)N1CCN2CCOC[C@]2(CO)C1)NCc1ccc([N+](=O)[O-])cc1 1635834267 XWXMZZGCDHZHGZ-GOSISDBHSA-N 407.427 -0.701 5 10 HBBE CC(C)C[C@@H](NC(=O)CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1873700979 MGCBBMMJJVTZGK-LLVKDONJSA-N 420.378 -0.078 5 10 HBBE CN=c1[nH]c(O[C@H]2CS(=O)(=O)C[C@@H]2NC(=O)OC(C)(C)C)ncc1[N+](=O)[O-] 2184566566 AIWNGTOKLGEWCR-WPRPVWTQSA-N 403.417 -0.083 5 10 HBBE CC(=O)N1CCN(c2ccc(C(=O)N3C[C@@H](CO)[C@H](CO)C3)cc2[N+](=O)[O-])CC1 1646581497 UXMFBJNDHHZIOS-HOTGVXAUSA-N 406.439 -0.064 5 10 HBBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCN(C(=O)c2cnccn2)CC1 169829644 RCIBEASXPHXOQR-UHFFFAOYSA-N 424.373 -0.035 5 10 HBBE COc1ccc(C(=O)NCCNC(=S)N[C@@H](C(=O)O)[C@H](C)O)cc1[N+](=O)[O-] 585867644 MTQVGCOTLJMITO-QPUJVOFHSA-N 400.413 -0.369 5 10 HBBE O=C(NC[C@@]12COCCN1C(=O)COC2)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 1624461610 OZEORBJFNINUSP-QAPCUYQASA-N 404.379 -0.168 5 10 HBBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CO)NC(=O)C[C@@H]1CCS(=O)(=O)C1 1866585195 DRZXQDNAPXHPIN-GWCFXTLKSA-N 415.424 -0.156 5 10 HBBE CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc([N+](=O)[O-])cc1 1865722485 SLLCCZWUZMWYPK-NSHDSACASA-N 401.379 -0.177 5 10 HBBE COc1cc(C(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])cc1OC 1866340829 OJEXCMXPCBGXLA-WDEREUQCSA-N 418.380 -0.703 5 10 HBBE O=C(CN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1)N1CCOCC1 542212483 MJFIDNTYMHCTKQ-INIZCTEOSA-N 408.455 -0.189 5 10 HBBE CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1 542256509 PXEYISZLNRLKDM-UHFFFAOYSA-N 414.440 -0.176 5 10 HBBE O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1558920334 APPPEUNJGOBQTA-HOTGVXAUSA-N 415.443 -0.031 5 10 HBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC(N2CC[C@H](O)C2)CC1 1641797805 QAVNJQBYTXFQPX-AWEZNQCLSA-N 412.468 -0.069 5 10 HBBE O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN2[C@H](CNS2(=O)=O)C1 1654832026 ASRNIASLGFUTAC-CYBMUJFWSA-N 411.440 -0.594 5 10 HBBE Cc1nc(N2CCN(CCO)[C@@H](C)C2)nc(N2CCN(CCO)[C@H](C)C2)c1[N+](=O)[O-] 490043292 PULLDHRPRDMQBE-CABCVRRESA-N 423.518 -0.301 5 10 HBBE O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1472749929 HFCYWVLORMFMOX-IAGOWNOFSA-N 424.479 -0.233 5 10 HBBE CN1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 486211635 GHVIDXWYDNEPCK-GFCCVEGCSA-N 411.440 -0.159 5 10 HBBE O=C(NC1COCCOC1)c1ccc(C(=O)NC2COCCOC2)c([N+](=O)[O-])c1 590428550 OJFDTLYGYMKVRR-UHFFFAOYSA-N 409.395 -0.115 5 10 HBBE O=C(N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O)c1cc2c(ccc3ccccc32)oc1=O 1866289972 VLEVKBNUOSMAOB-YNIGFRRXSA-N 401.371 -0.524 5 10 HBBE CN(C)c1cc(F)c(C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1[N+](=O)[O-] 1457673406 YRSSLLSZRGTZMS-UHFFFAOYSA-N 403.436 -0.154 5 10 HBBE COCCN1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1=O 470740286 KVKJXUSAVWFOJY-UHFFFAOYSA-N 404.379 -0.102 5 10 HBBE C[C@@H](CO)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 503074431 KNZHFARLSGATNW-ZDUSSCGKSA-N 400.457 -0.260 5 10 HBBE CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867782769 WLCHOTHJAJCJST-RYUDHWBXSA-N 407.427 -0.200 5 10 HBBE O=C(c1cnn(CCO)c1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1135524349 YUDBWBIXKOVNLR-UHFFFAOYSA-N 409.424 -0.070 5 10 HBBE O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCN2[C@H](CNS2(=O)=O)C1 1472031838 LEDWPAZSNSESLF-GFCCVEGCSA-N 411.440 -0.594 5 10 HBBE CN(CCO)c1nc(=NC(=O)c2ccc([N+](=O)[O-])cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870031098 HSUIHXZJNNHJIU-CYBMUJFWSA-N 424.439 -0.351 5 10 HBBE O=C(CN1C[C@H]2C[C@@]2(CO)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 782611402 CZWLQQNSENLKHM-KDOFPFPSSA-N 424.479 -0.258 5 10 HBBE COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(O)CCOC3)CC2)cc1[N+](=O)[O-] 1135342193 YKLLUYHEBFIHJM-INIZCTEOSA-N 415.424 -0.412 5 10 HBBE O=C(NC[C@H]1COCO1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1313189332 MMPVLIOMTHESCA-LBPRGKRZSA-N 400.413 -0.016 5 10 HBBE COC(=O)CN(C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H](C)C(=O)OC 1866341326 IJUINUCJYNXELJ-VIFPVBQESA-N 407.335 -0.246 5 10 HBBE CC[C@H](CO)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1596656380 NLQSGSGBDBZOFG-CYBMUJFWSA-N 400.457 -0.212 5 10 HBBE COC(=O)c1cnc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 478260489 AOFUAMHDCJIZLH-UHFFFAOYSA-N 415.428 -0.525 5 10 HBBE CNC(=O)[C@@H](C)NC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867784043 LVAPUZGBCQFWGQ-DGCLKSJQSA-N 407.427 -0.464 5 10 HBBE COC[C@@H](C(N)=O)N(C)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 500398116 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O=C1CNC(=O)N1CCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 513701937 BQYIBTLPWIGUBA-UHFFFAOYSA-N 411.440 -0.157 5 10 HBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCCN2CCO 1456855449 NBSCEEKWAVKAJH-KBPBESRZSA-N 412.468 -0.069 5 10 HBBE COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1656388598 SJBGLZQDEYKNON-MRXNPFEDSA-N 419.438 -0.441 5 10 HBBE COc1ccc(N=c2[nH]c(N3CC(O)C3)nc(=NCCCN(C)C)[nH]2)cc1[N+](=O)[O-] 1871705501 MMWQSJKVCNGPRF-UHFFFAOYSA-N 418.458 -0.080 5 10 HBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 1294253917 JVPGNBRKMVNOLJ-UHFFFAOYSA-N 403.461 -0.001 5 10 HBBE CCOCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518312 DJSXSCYIMBZIAL-UHFFFAOYSA-N 421.458 -0.003 5 10 HBBE COCc1n[nH]c(=NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)s1 1860764597 AIXREJRAFPIBJB-UHFFFAOYSA-N 407.412 -0.303 5 10 HBBE O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1632157633 WYXHLJKDLLYAKH-UONOGXRCSA-N 401.416 -0.110 5 10 HBBE O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@H](CO)CN1CCOCC1 508336991 CTNKLQRRADBGKT-NSHDSACASA-N 400.819 -0.213 5 10 HBBE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1537268603 YBQPWSDYCKOCNY-GFCCVEGCSA-N 406.351 -0.838 5 10 HBBE CC(=O)NCCN=c1nc(N2CC(O)C2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871578356 ZWTUANBIXYHHCU-UHFFFAOYSA-N 422.833 -0.251 5 10 HBBE CC(=O)N1CCN(c2nc(=NCCO)[nH]c(=Nc3cccc([N+](=O)[O-])c3C)[nH]2)CC1 1871645851 USSVLSBCCITIPD-UHFFFAOYSA-N 416.442 -0.252 5 10 HBBE COc1ccc(C(=O)NCCNC(=S)N2CCN(CCO)CC2)cc1[N+](=O)[O-] 585867552 CPBJLRQLOVFMME-UHFFFAOYSA-N 411.484 -0.182 5 10 HBBE C[C@H](O)CN1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 1639230997 VZZWAVLMSYHHQZ-OLZOCXBDSA-N 400.457 -0.213 5 10 HBBE NC(=O)CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCN1CCOCC1 1861030331 PMQVBFGOQLPWMP-INIZCTEOSA-N 421.454 -0.203 5 10 HBBE COC(=O)COCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 569730551 FOZWXDPCYSQWGJ-UHFFFAOYSA-N 401.397 -0.383 5 10 HBBE CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1294447007 JGFBHIRPKRQYQH-GFCCVEGCSA-N 401.441 -0.237 5 10 HBBE Cc1nnc2sc(CCNC(=O)[C@@H](CO)NC(=O)c3ccc([N+](=O)[O-])cc3)nn12 1867359990 GUDOJVJUTFSSAD-GFCCVEGCSA-N 419.423 -0.148 5 10 HBBE CNC(=O)[C@@H](C)NC(=O)[C@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867784045 LVAPUZGBCQFWGQ-YPMHNXCESA-N 407.427 -0.464 5 10 HBBE Cn1c(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cnc1[N+](=O)[O-] 1890053072 DBAFYZMMEHFCQW-UHFFFAOYSA-N 402.415 -0.083 5 10 HBBE O=C(N[C@@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O)c1cc2c(ccc3ccccc32)oc1=O 1866289969 VLEVKBNUOSMAOB-DYWWHBPLSA-N 401.371 -0.524 5 10 HBBE O=C(CN1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 502324250 KDHKQEZXXRNJIM-UHFFFAOYSA-N 412.468 -0.099 5 10 HBBE O=C(NC[C@]12COCCN1C(=O)COC2)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 1624461609 OZEORBJFNINUSP-MAUKXSAKSA-N 404.379 -0.168 5 10 HBBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)NCCCNC=O)cc1[N+](=O)[O-] 1861810236 VYSIKJKDVZZPSS-DOMZBBRYSA-N 423.382 -0.361 5 10 HBBE CN1CCN(C2CN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 1139590748 ZZHCRXMQAVXBIC-UHFFFAOYSA-N 411.484 -0.279 5 10 HBBE NC(=O)CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NCCCNC=O 1861123796 LYCRRBOQUQZYRD-PXTSUWAFSA-N 405.411 -0.389 5 10 HBBE O=C(CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)NCCN1CCOCC1 1292872581 LLXAGCCQQNZEQG-UHFFFAOYSA-N 408.411 -0.066 5 10 HBBE CNS(=O)(=O)c1ccc(N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)c([N+](=O)[O-])c1 1472834394 CWZNPYBJQVIXLW-GDLCADMTSA-N 405.454 -0.249 5 10 HBBE CN([C@@H]1CS(=O)(=O)C[C@H]1S(C)(=O)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1858197437 JURQGFPRSBTXGH-VXGBXAGGSA-N 412.467 -0.575 5 10 HBBE O=C(NCCCN1CCOCC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860754808 DFEHZUOUUIYRMV-UHFFFAOYSA-N 406.443 -0.523 5 10 HBBE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1570631893 APPAZAHFMDMMTA-GFCCVEGCSA-N 413.456 -0.549 5 10 HBBE CN(CC(=O)N1CC(O)(c2ccnn2C)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1588254671 DSMPSKHYKQWBOT-UHFFFAOYSA-N 409.424 -0.321 5 10 HBBE O=C(CN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1)N1CCOCC1 542212484 MJFIDNTYMHCTKQ-MRXNPFEDSA-N 408.455 -0.189 5 10 HBBE COCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706286 WKYCSHRYLHDBGB-UHFFFAOYSA-N 423.430 -0.775 5 10 HBBE O=C(c1nonc1OCc1cc([N+](=O)[O-])cc2c1OCOC2)N(CCO)CCO 1872684317 SAVPAUBJLLEPRW-UHFFFAOYSA-N 410.339 -0.150 5 10 HBBE O=C(CN1CCN(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1)N1CCOCC1 918063876 DKGIBMFBVBPJJF-UHFFFAOYSA-N 414.440 -0.535 5 10 HBBE CNS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 1558981059 WSONRLYUISWUSE-UHFFFAOYSA-N 413.456 -0.347 5 10 HBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NCCC/N=[N+](\[O-])C(CO)(CO)[N+](=O)[O-] 59738148 KOWPIQGBFXGMRO-SSZFMOIBSA-N 407.361 -0.817 5 10 HBBE O=C(CN1CCN(c2cc3[nH]cnc(=O)c3cc2[N+](=O)[O-])CC1)N1CCOCC1 140114710 ZGJPMFCRISLKSP-UHFFFAOYSA-N 402.411 -0.188 5 10 HBBE COC(OC)C(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 1300600887 SRYLFJVNQBNGHP-UHFFFAOYSA-N 415.424 -0.098 5 10 HBBE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 1461960386 GIMYISAOFNDQGE-LLVKDONJSA-N 401.397 -0.244 5 10 HBBE CNC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867782768 WLCHOTHJAJCJST-NWDGAFQWSA-N 407.427 -0.200 5 10 HBBE O=C1NC[C@@H]2CN(c3nc(N4CCN5C(=O)NC[C@@H]5C4)c([N+](=O)[O-])s3)CCN12 431805796 WVTQRYSFHPTNAY-NXEZZACHSA-N 408.444 -0.521 5 10 HBBE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 540114280 IXJITDGQTUUEEU-RYUDHWBXSA-N 416.460 -0.560 5 10 HBBE CN(C)C(=O)CNC(=S)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 918717342 PJFWZQRMJVDCNZ-UHFFFAOYSA-N 415.497 -0.136 5 10 HBBE O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1632157632 WYXHLJKDLLYAKH-KGLIPLIRSA-N 401.416 -0.110 5 10 HBBE C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CCN1C 1565833212 HUMURQNEKNAOBJ-CZUORRHYSA-N 413.500 -0.034 5 10 HBBE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1627306295 FUITWKBROQAESD-LLVKDONJSA-N 403.395 -0.231 5 10 HBBE CCCn1cc([N+](=O)[O-])c(=O)n(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)c1=O 2140902937 ZDDGDSFFMLVNAR-NSHDSACASA-N 402.363 -0.015 5 10 HBBE NC(=O)C[C@@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)NCCN1CCOCC1 2330671346 DMXPDFYBYVVVEG-OAHLLOKOSA-N 419.438 -0.583 5 10 HBBE Cc1c(Cl)cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] 427794350 AIHODIXWQDMZOA-SECBINFHSA-N 402.816 -0.112 5 10 HBBE CN([C@@H]1CS(=O)(=O)C[C@@H]1S(C)(=O)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1858197434 JURQGFPRSBTXGH-NEPJUHHUSA-N 412.467 -0.575 5 10 HBBE COC(=O)CNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 25565355 JYDIEOBXUPKXEG-LBPRGKRZSA-N 414.440 -0.421 5 10 HBBE CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)N2CCOCC2)CC1 786763084 UCIPPGCCBMHXRH-UHFFFAOYSA-N 412.468 -0.021 5 10 HBBE NC(=O)CC[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCCCNC=O 1861129503 HPNKYUWSCLGZCL-VIIAAUOXSA-N 405.411 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-0.541 5 10 HBBE C[C@H]1CN2CCN1C[C@@H]2C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1440716122 YPNVSYPBXPTYMA-BLLLJJGKSA-N 411.484 -0.085 5 10 HBBE CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 1595918998 ICQLPMFDYHBGON-UHFFFAOYSA-N 400.413 -0.024 5 10 HBBE O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 436945145 FLZAGZBQCACKIQ-UHFFFAOYSA-N 400.413 -0.365 5 10 HBBE O=C(NC[C@@]12COCCN1C(=O)COC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1479132745 TVKFAVWOFBERRN-SFHVURJKSA-N 406.395 -0.005 5 10 HBBE NC(=O)CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCOCC1 1861029471 AONXKZNJCXBPRX-HNNXBMFYSA-N 407.427 -0.593 5 10 HBBE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 1142980420 ZMXZPCZFRVASNA-ZDUSSCGKSA-N 406.443 -0.028 5 10 HBBE Cc1cc(O)cc2oc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3c12 1848434656 JBBJNWVTFRVJRP-JQAJVKEVSA-N 420.370 -0.155 5 10 HBBE CNC(=O)NCCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 1307149124 ZPGYDQALUHOLHP-UHFFFAOYSA-N 400.461 -0.128 5 10 HBBE Cc1c(N=c2[nH]c(N(CCO)CCO)nc(=NCCCO)[nH]2)cccc1[N+](=O)[O-] 1871645678 OEYLQWOOQRIRCV-UHFFFAOYSA-N 407.431 -0.739 5 10 HBBE O=C1CS(=O)(=O)C[C@@H](C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])N1 1133149636 VGYPHAVXKWVIOB-VIFPVBQESA-N 406.214 -0.113 5 10 HBBE C[C@@H]1CN2CCN1C[C@H]2C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1452206549 SQXRJVZSBVKOLV-HIFRSBDPSA-N 411.484 -0.280 5 10 HBBE CN1CCO[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1=O 1628340629 RXWSCABPSHCHEO-AWEZNQCLSA-N 412.424 -0.715 5 10 HBBE CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 497048065 BRXRZYGZXWTGQX-KBPBESRZSA-N 410.427 -0.056 5 10 HBBE CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO[S@](=O)O)[C@@H](O)[C@H]1O 616582036 JFJMWZOIBBVKNU-XHJNMGKDSA-N 406.369 -0.922 5 10 HBBE O=C1CN(CCNC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCN1 1233962780 MUDUVEIUJVYSSS-UHFFFAOYSA-N 404.427 -0.506 5 10 HBBE CNC(=O)NC[C@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 1647790724 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1557176521 DPGSEMOEYWOIDJ-LRDDRELGSA-N 400.457 -0.213 5 10 HBBE C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CCN1C 1565833214 HUMURQNEKNAOBJ-XJKSGUPXSA-N 413.500 -0.034 5 10 HBBE COc1cc(C(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@H]2O)c([N+](=O)[O-])cc1OC 1866340826 OJEXCMXPCBGXLA-GHMZBOCLSA-N 418.380 -0.703 5 10 HBBE O=C(N[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(O)c2ccc3cccnc3c2n1 1866514468 UDELKKYCSAMUBQ-BQXVCNAFSA-N 401.375 -0.982 5 10 HBBE COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 1872993240 PTQHYCHPUIDQQW-SMDDNHRTSA-N 404.379 -0.162 5 10 HBBE O=C(Cc1nonc1OCC(=O)Nc1cccc([N+](=O)[O-])c1)NCCOCCO 1872652591 VWTMQGVNMHKVOB-UHFFFAOYSA-N 409.355 -0.337 5 10 HBBE O=C([C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC(NC2COC2)C1 1472157186 KQUXAYRTDSHTTN-MRXNPFEDSA-N 410.452 -0.053 5 10 HBBE CC(=O)NCCN=c1nc(N2CC(O)C2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871644657 CVTURCZDBTXQBR-UHFFFAOYSA-N 402.415 -0.595 5 10 HBBE O=C(CN1CCN(S(=O)(=O)N2CCOCC2)CC1)Nc1ccccc1[N+](=O)[O-] 44741894 QZINCWINALTGHP-UHFFFAOYSA-N 413.456 -0.272 5 10 HBBE O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1632199327 HGRUMCGOHOIRAF-UHFFFAOYSA-N 408.440 -0.030 5 10 HBBE O=CNCCCNC(=O)CCc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1O 1859134285 MTPORVAOTRIALD-UHFFFAOYSA-N 417.382 -0.077 5 10 HBBE CCc1ccc(N=c2[nH]c(N3CC(O)C3)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871621728 UEIABLQFQMNTPJ-UHFFFAOYSA-N 416.442 -0.342 5 10 HBBE CN(C)c1nc(CNC(=O)c2cc([N+](=O)[O-])c(=O)n(C)c2)nc(N2CCOCC2)n1 1890795091 MTOMNXDQLBWNKO-UHFFFAOYSA-N 418.414 -0.689 5 10 HBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)CN1CSCC1=O 1299862977 BORQWXXFXCTSPN-UHFFFAOYSA-N 402.454 -0.136 5 10 HBBE COC(=O)CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H](C)C(=O)OC 1866340103 JDEDRUSEVHXODN-VIFPVBQESA-N 407.335 -0.246 5 10 HBBE COc1cc(OCC(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)ccc1[N+](=O)[O-] 1595938274 QMXJUKQJFUJSRU-NSHDSACASA-N 403.413 -0.241 5 10 HBBE C[C@H](O)CN1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 1639230999 VZZWAVLMSYHHQZ-STQMWFEESA-N 400.457 -0.213 5 10 HBBE O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1558920335 APPPEUNJGOBQTA-HZPDHXFCSA-N 415.443 -0.031 5 10 HBBE NC(=O)CC[C@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCNC=O 2330634818 LYCRRBOQUQZYRD-HNNXBMFYSA-N 405.411 -0.389 5 10 HBBE O=C(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)NCCN1CCOCC1 1565584216 OIXSLBLFZRKHET-UHFFFAOYSA-N 408.411 -0.066 5 10 HBBE O=C(CN1CC=C[C@@H]1CO)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1560098809 SPURXYXGOFONPY-OAHLLOKOSA-N 410.452 -0.340 5 10 HBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@H]1OCCN(C)C1=O 1630904130 APQHZCYNHQZJME-CYBMUJFWSA-N 400.413 -0.811 5 10 HBBE O=C(O)CC[C@H](NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(O)O 1866024039 NWDJHQLVNCUKQK-JTQLQIEISA-N 409.351 -0.369 5 10 HBBE CS(=O)(=O)NC[C@H]1COCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1196637682 CCXALYOPWBIBIS-ZDUSSCGKSA-N 407.470 -0.382 5 10 HBBE CC(=O)N1CCN(c2ccc(C(=O)N3CC(=O)NCC34COC4)cc2[N+](=O)[O-])CC1 1534107408 TWSOBARVNWRSLP-UHFFFAOYSA-N 417.422 -0.396 5 10 HBBE CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO[S@](=O)O)[C@@H](O)[C@@H]1O 616582037 JFJMWZOIBBVKNU-XVIXHAIJSA-N 406.369 -0.922 5 10 HBBE O=C1CN(CCCNC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CCN1 1654432586 MENUZOUPAOCXNV-UHFFFAOYSA-N 411.365 -0.029 5 10 HBBE CNC(=O)Cn1cnc2c(nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1=O 1870102970 FSOZDOZMSWHOHC-UHFFFAOYSA-N 401.339 -0.443 5 10 HBBE CN(C)CCNS(=O)(=O)c1ccc(N2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])c1 541624901 WCFYDDDFWGFRAK-CQSZACIVSA-N 413.500 -0.045 5 10 HBBE CN(C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)C(=O)c1c[nH]c2c(ccc3ccccc32)c1=O 1866355040 ZNVYFWVIFVZYHG-CPLUKWAASA-N 416.430 -0.811 5 10 HBBE CCc1ccc(N=c2[nH]c(N(C)CCO)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871621575 RREVEZWCFAFEOY-UHFFFAOYSA-N 421.458 -0.221 5 10 HBBE Cn1c(C(=O)N2CCN(c3nccc(N4CCOCC4)n3)CC2)cnc1[N+](=O)[O-] 1890052077 SGUZXENLRYFJBS-UHFFFAOYSA-N 402.415 -0.083 5 10 HBBE COC(=O)CNC(=O)c1ccc(N(C)CCN2CCCS2(=O)=O)c([N+](=O)[O-])c1 610587839 HUHFQOLJPHRSSA-UHFFFAOYSA-N 414.440 -0.031 5 10 HBBE O=C1COc2ccc(S(=O)(=O)N3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)cc2N1 1537955986 OQCBOTDVWJCLTK-DGCLKSJQSA-N 410.408 -0.484 5 10 HBBE O=C(C1=CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1540299824 YURRMQGDPYRFRW-UHFFFAOYSA-N 415.449 -0.218 5 10 HBBE CC1(C)CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1CCO 1625328638 IMMYZWLUZBCIRO-UHFFFAOYSA-N 400.457 -0.212 5 10 HBBE O=[N+]([O-])c1sc(NC[C@@H]2CN3CCN2CC3)nc1NC[C@@H]1CN2CCN1CC2 301771580 JRVHUVBCWGCEOI-ZIAGYGMSSA-N 408.532 -0.125 5 10 HBBE COC(=O)c1cc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc([N+](=O)[O-])c1 493409602 BMQDHNGDPCVFRX-UHFFFAOYSA-N 420.422 -0.002 5 10 HBBE CC(=O)NCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1861809590 OPTPQSCGIMQWFW-DOMZBBRYSA-N 423.382 -0.361 5 10 HBBE COc1cc(OCC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-] 520616904 AGJKLISGHKKBJR-UHFFFAOYSA-N 422.438 -0.015 5 10 HBBE Cc1nc(CCNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cn1C 1867835040 YYQPAVHZGLTNET-OAHLLOKOSA-N 420.382 -0.005 5 10 HBBE O=C(CN1C(=O)CCC1=O)N1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 443698122 LNCIRIRAWMVSHQ-UHFFFAOYSA-N 424.435 -0.282 5 10 HBBE CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)CC1 469504325 CHJVQBHZBWSQEZ-UHFFFAOYSA-N 413.456 -0.450 5 10 HBBE CN1CCN(S(=O)(=O)N2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)CC1 502382893 MTNLQUQKOMSIGR-UHFFFAOYSA-N 410.460 -0.748 5 10 HBBE Cc1c(C(=O)NCCNC(=S)N[C@@H](CCC(N)=O)C(=O)O)cccc1[N+](=O)[O-] 585860944 MEAMDDXBPGDNAM-NSHDSACASA-N 411.440 -0.184 5 10 HBBE CC(=O)N1CSC[C@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 747383366 LCINKMBMNIVKLD-ZDUSSCGKSA-N 402.454 -0.089 5 10 HBBE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1299830515 UBMSWWHOMXBMHU-LBPRGKRZSA-N 405.411 -0.101 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(N3CCn4c(O)nnc4C3)c([N+](=O)[O-])c2)CC1 460445699 UGHPKGFXIVYCOL-UHFFFAOYSA-N 423.455 -0.152 5 10 HBBE O=C(NCCN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1)c1ccccc1F 521295223 YUMDAJRAHAGPQQ-UHFFFAOYSA-N 405.390 -0.100 5 10 HBBE O=C(CN1C[C@H]2C[C@H]1C[C@@H]2O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1473826777 WDLDZFKYPQPZRK-KMFMINBZSA-N 424.479 -0.117 5 10 HBBE CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc([N+](=O)[O-])c1 1865722738 YWEBXHBFAWUVEZ-LLVKDONJSA-N 401.379 -0.177 5 10 HBBE O=C(CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)N[C@@H](CO)CN1CCOCC1 1617387580 HIAQCDKSTJNKSP-LLVKDONJSA-N 414.365 -0.158 5 10 HBBE Cn1nc(N2CCN(CCO)CC2)nc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1870013871 RUQVPHSWZOCNHZ-UHFFFAOYSA-N 420.386 -0.002 5 10 HBBE CCOC(=O)N1CCN(c2ncnc(N3CCN(CCO)CC3)c2[N+](=O)[O-])CC1 40613541 IVZMTCLEJJJISO-UHFFFAOYSA-N 409.447 -0.222 5 10 HBBE O=C(c1n[nH]cc1[N+](=O)[O-])N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1464902346 RIAWRSCKXVEARH-LBPRGKRZSA-N 401.445 -0.331 5 10 HBBE CCN(CCO)c1nc(=NCCCO)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871705450 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O=[N+]([O-])c1cccc(N=c2[nH]c(N(CCO)CCO)nc(=NCCCCCO)[nH]2)c1 1871521490 YXTAQZXVUQRDEN-UHFFFAOYSA-N 421.458 -0.267 5 10 HBBE CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1[N+](=O)[O-] 1865722145 LAPNGUPANSMGHG-NSHDSACASA-N 401.379 -0.177 5 10 HBBE COC(=O)[C@@](C)(O)CN1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 565623364 ZZWOIWKTXOBVON-INIZCTEOSA-N 417.440 -0.166 5 10 HBBE C[N+](C)(C)CCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O 2069557053 JFBCEQJDBKWHOL-UHFFFAOYSA-N 403.496 -0.299 5 10 HBBE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O 45764864 YAJVMGMJWZOZRA-LLVKDONJSA-N 405.454 -0.139 5 10 HBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC(=O)N1CCOCC1 544116979 KVOYOOVXEMIRBQ-UHFFFAOYSA-N 401.397 -0.139 5 10 HBBE CS(=O)(=O)NC[C@@H]1COCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1196637678 CCXALYOPWBIBIS-CYBMUJFWSA-N 407.470 -0.382 5 10 HBBE O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1472749931 HFCYWVLORMFMOX-SJORKVTESA-N 424.479 -0.233 5 10 HBBE CN(C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)C(=O)c1cc(O)c2ccc3ccccc3c2n1 1866514435 RUSVGOMKVMKPJL-ZULIPRJHSA-N 416.430 -0.399 5 10 HBBE COC[C@]1(CN(C)C)COCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1288226482 OOKDZFSRXZQQNC-LJQANCHMSA-N 420.422 -0.004 5 10 HBBE CN1CCN(C)[C@@H](CNc2nc(NC[C@@H]3CN(C)CCN3C)sc2[N+](=O)[O-])C1 570244996 RQBJAVWCJMFMEO-UONOGXRCSA-N 412.564 0.367 5 10 HBBE CN(CCCNC(=O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1)S(C)(=O)=O 1194905366 HYKCXIWLVSAKPF-UHFFFAOYSA-N 414.488 -0.491 5 10 HBBE O=C(O)COCCOC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)COCCO 725405741 HZTYCFFXPUGUBH-CQSZACIVSA-N 414.367 -0.725 5 10 HBBE CN(C)CCN1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 1469770964 BNEMJZBXWYOQDU-UHFFFAOYSA-N 413.456 -0.895 5 10 HBBE COC(=O)CNC(=O)CCNC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl 1867899084 ZPVFAIXRRUVWDS-UHFFFAOYSA-N 400.775 -0.227 5 10 HBBE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 748918395 XJECDVWRARPCDZ-HNNXBMFYSA-N 410.427 -0.227 5 10 HBBE CN1CCN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c4nonc34)CC2)CC1 914863003 CYFDMVIEUGBWPE-UHFFFAOYSA-N 411.444 -0.255 5 10 HBBE O=C(Nc1nc(N2CC(O)C2)nn1[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 1870003916 QVHPRDCJGNMFAT-GFCCVEGCSA-N 422.423 -0.021 5 10 HBBE CCc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCCO)[nH]2)cc1[N+](=O)[O-] 1871621961 ZKYZSWCWUYKHLB-UHFFFAOYSA-N 407.431 -0.875 5 10 HBBE CN(C)CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 1873788266 HFIQXORGAPJWIS-UHFFFAOYSA-N 408.415 -0.061 5 10 HBBE Cn1cnnc1N1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 1144237027 LJYQAMOCZITYHO-UHFFFAOYSA-N 402.415 -0.129 5 10 HBBE Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCN2CCOCC2)ccc1[N+](=O)[O-] 1861819261 HLJLSVSKUNUUFF-RDJZCZTQSA-N 406.439 -0.073 5 10 HBBE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CN1CCN(C)C(=O)C1 1626727352 IUSSADOECZNWBY-UHFFFAOYSA-N 413.456 -0.895 5 10 HBBE O=C(O)CNC(=O)CNC(=O)c1ccc(OCC(=O)N2CCCC2)c([N+](=O)[O-])c1 1865776743 PGEFKBCDMDDQGM-UHFFFAOYSA-N 408.367 -0.473 5 10 HBBE CC(=O)OC[C@@H]1O[C@H](n2cc([N+](=O)[O-])c(O)nc2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1857790255 ZGEFJCMSHXSDBL-MNXVOIDGSA-N 415.311 -0.819 5 10 HBBE Nc1c(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc(F)cc1[N+](=O)[O-] 518124419 HPXDGCPGLMRAJW-UHFFFAOYSA-N 417.419 -0.349 5 10 HBBE CN1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 462328068 QNLSZFISVFSMDX-UHFFFAOYSA-N 411.440 -0.841 5 10 HBBE CC(=O)NCCNC(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 1860882313 OFTXDZWSNWWIHF-UHFFFAOYSA-N 413.456 -0.458 5 10 HBBE COc1ccc([N+](=O)[O-])c(C(=O)NCCNC(=S)N[C@H](CC(=O)O)C(=O)O)c1 585862046 VKPNPMXJGSQDLH-SNVBAGLBSA-N 414.396 -0.275 5 10 HBBE CC(=O)N1CCN(c2ccc(C(=O)N3CCOC[C@@H]3CC(N)=O)cc2[N+](=O)[O-])CC1 1162079615 DBBJCTOIQNMEPM-HNNXBMFYSA-N 419.438 -0.020 5 10 HBBE CN(C)S(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 541404393 XRZXFHOEUSDVKP-UHFFFAOYSA-N 420.469 -0.681 5 10 HBBE O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCN2CCOC[C@@]2(CO)C1 1558531909 AUPFESISMKXXPB-IBGZPJMESA-N 406.439 -0.050 5 10 HBBE CC(C)CO[C@H](CC(=O)N1CC(S(=O)(=O)c2nncn2C)C1)C[N+](C)(C)C 1852560012 USSBTSGMAQKSOC-CQSZACIVSA-N 402.541 -0.063 5 10 HBBE CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1634150559 YMLRJUMCJUBZGM-UHFFFAOYSA-N 413.456 -0.383 5 10 HBBE CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1OC 1472031626 IXKKVEKBTFOCKQ-SNVBAGLBSA-N 400.413 -0.024 5 10 HBBE NC(=O)C[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCOCC1 2330596420 XXNABULYFFGOFB-MRXNPFEDSA-N 419.438 -0.583 5 10 HBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 1635983188 ZOBYIQLSHKQBBE-HUUCEWRRSA-N 412.468 -0.069 5 10 HBBE O=C(O)CNC(=O)CNC(=S)NCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 585858480 PWNPDLSXXUTLBV-ZZXKWVIFSA-N 409.424 -0.611 5 10 HBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCN1CCC2(C1)OCCO2 1148300696 IKKHDERTSKAWIK-UHFFFAOYSA-N 406.395 -0.115 5 10 HBBE CC(C)(C)OC(=O)NCC(CO)(CO)NS(=O)(=O)c1cncc([N+](=O)[O-])c1 2280496123 SVWHDUWFUGOSFH-UHFFFAOYSA-N 406.417 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1142426796 RKZDJILSQRNGEC-XJKSGUPXSA-N 411.484 -0.280 5 10 HBBE O=C(NCc1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 604474767 ONZJEHVFOMZYNA-UHFFFAOYSA-N 413.456 -0.001 5 10 HBBE O=C(O)CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CS(=O)(=O)C[C@H]1O 1866356081 VMGZCXCCGDPXRA-GHMZBOCLSA-N 403.325 -0.812 5 10 HBBE COc1ccc(N=c2[nH]c(N3CCN(C)CC3)nc(=NC[C@@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871707545 XSBCEVIJTOKMPN-GFCCVEGCSA-N 418.458 -0.080 5 10 HBBE CN1CCN(c2ccc(N3CCN(C(=O)c4cnc([N+](=O)[O-])n4C)CC3)nn2)CC1 1890237905 XHHLSAGJCPCFNS-UHFFFAOYSA-N 415.458 -0.168 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(NCCc3nnnn3C)c([N+](=O)[O-])c2)CC1 611306550 JSEDYZPTHWQTTG-UHFFFAOYSA-N 410.460 -0.291 5 10 HBBE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1C(=O)CCC1=O 603497344 ROIZBKQFHHLKLY-GFCCVEGCSA-N 424.435 -0.035 5 10 HBBE CN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C[C@H]1CO 1187271222 KPMJBDIVWKVENX-AWEZNQCLSA-N 400.457 -0.272 5 10 HBBE CN(C)S(=O)(=O)CCNC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1873715580 WFANLDFTBCMXFV-UHFFFAOYSA-N 412.424 -0.021 5 10 HBBE O=Cc1ccc(OCC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 915660696 SCFBBSJDGUCDKE-UHFFFAOYSA-N 420.422 -0.211 5 10 HBBE O=C(NC[C@]12COCCN1C(=O)COC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1479132744 TVKFAVWOFBERRN-GOSISDBHSA-N 406.395 -0.005 5 10 HBBE CN1CCO[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1=O 1618208425 CKEDUOZUOYNFDX-AWEZNQCLSA-N 412.424 -0.715 5 10 HBBE C[C@@H](C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 1643005205 LGMQUYCDEATPNG-AWEZNQCLSA-N 413.500 -0.033 5 10 HBBE CN(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)c1cc(O)c2ccc3ccccc3c2n1 1866514433 RUSVGOMKVMKPJL-KVPLUYHFSA-N 416.430 -0.399 5 10 HBBE CN(C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 1354114086 SCACFOCDORACIM-OAHLLOKOSA-N 401.427 -0.182 5 10 HBBE CON(C)C(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1643051708 HTLHEUIQQWIPTO-CYBMUJFWSA-N 400.413 -0.116 5 10 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CN(C)S(=O)(=O)NCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1595954064 AEGHQZBTKFGVHS-UHFFFAOYSA-N 405.458 -0.663 5 10 HBBE Cc1nc(CCNC(=O)[C@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cn1C 1867835039 YYQPAVHZGLTNET-HNNXBMFYSA-N 420.382 -0.005 5 10 HBBE O=[N+]([O-])c1ccc(N2CCC(CO)(CO)C2)c(S(=O)(=O)N2CCOCC2)c1 1612607625 UYGXRUDLKCKQHV-UHFFFAOYSA-N 401.441 -0.203 5 10 HBBE O=C(CNc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)N2CCOCC2)CC1 138458398 NIIIOUGEXSJWNJ-UHFFFAOYSA-N 413.456 -0.272 5 10 HBBE O=[N+]([O-])c1sc(NC[C@H]2CN3CCN2CC3)nc1NC[C@@H]1CN2CCN1CC2 301771576 JRVHUVBCWGCEOI-KGLIPLIRSA-N 408.532 -0.125 5 10 HBBE COCCN1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1=O 558732906 RBVBNNGUPROUPL-UHFFFAOYSA-N 400.413 -0.462 5 10 HBBE CS(=O)(=O)c1ccc(N2CCN(C(=O)C3CS(=O)(=O)C3)CC2)c([N+](=O)[O-])c1 1625571387 BDZRQZBXAFUBBZ-UHFFFAOYSA-N 417.465 -0.309 5 10 HBBE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 1538932225 ZBOPIVQEDQVUKI-IINYFYTJSA-N 422.369 -0.071 5 10 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CCn1nnc2c(N3CCN(C(=O)c4cc([N+](=O)[O-])c(=O)n(C)c4)CC3)ncnc21 1891308452 QMKFLZGQOGMORP-UHFFFAOYSA-N 413.398 -0.190 5 10 HBBE Cn1cc(C[C@H](O)C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 468576705 KLRIUUVXHBEWPA-INIZCTEOSA-N 423.451 -0.235 5 10 HBBE O=C(NCCNC(=S)NCCOCCO)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 586402088 AIXIXQPWESJABT-UHFFFAOYSA-N 401.401 -0.294 5 10 HBBE COc1cc(C(=O)NCCNC(=S)N[C@@H](CC(=O)O)C(=O)O)ccc1[N+](=O)[O-] 585857575 JFDVLQXLNUZWPO-VIFPVBQESA-N 414.396 -0.275 5 10 HBBE O=C(CN1C[C@H]2C[C@]2(CO)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 782612340 AHRAMNKUMKLHAQ-RDTXWAMCSA-N 424.479 -0.258 5 10 HBBE CN(C)CCN(CC(=O)N(C)C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1532054104 BMALYECPOARNML-UHFFFAOYSA-N 407.427 -0.201 5 10 HBBE CN1C[C@H](C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)NC1=O 1624507185 LDKRDEXPCQIUPV-GFCCVEGCSA-N 411.440 -0.330 5 10 HBBE CN1CCN(C(=O)CCNC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 582255667 INAJONYBTAJNLU-UHFFFAOYSA-N 403.439 -0.240 5 10 HBBE CCOC(=O)[C@H](CC(N)=O)NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1866026697 XFBZGQMPFGZDFB-ZDUSSCGKSA-N 420.378 -0.106 5 10 HBBE O=c1n(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nnn1C1CC1 808135888 VYUIQTLMJHBBQN-UHFFFAOYSA-N 409.428 -0.353 5 10 HBBE O=C1CSC[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)N1 1628339723 FUIWPFVPLYXEFP-ZDUSSCGKSA-N 414.465 -0.341 5 10 HBBE Cn1c(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cnc1[N+](=O)[O-] 1890052094 ULGZAYAMJXREBU-UHFFFAOYSA-N 402.415 -0.083 5 10 HBBE CN(C)C[C@@]1(O)CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1568521997 QHVGMKNYWHGKEU-INIZCTEOSA-N 400.457 -0.212 5 10 HBBE COC(=O)CNC(=O)CCNC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1868050012 FAJILWQMLLHFMM-UHFFFAOYSA-N 420.378 -0.234 5 10 HBBE O=C(CN1C[C@H]2C[C@H]1C[C@H]2O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1620613872 SSWJURMLFBWHNQ-UKPHBRMFSA-N 424.479 -0.117 5 10 HBBE O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1626574403 SPOUORLSILRQGJ-ZFWWWQNUSA-N 401.416 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-0.102 5 10 HBBE CN1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 486211637 GHVIDXWYDNEPCK-LBPRGKRZSA-N 411.440 -0.159 5 10 HBBE O=C(N[C@@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O)c1cc(O)c2ccc3ccccc3c2n1 1866513746 PTDXQLUUOOCFOG-MVSUVFOUSA-N 400.387 -0.377 5 10 HBBE CN1C[C@H](O)C[C@]1(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1463598535 JKXCVIZRIPQDBP-CXAGYDPISA-N 412.468 -0.117 5 10 HBBE O=C1CO[C@H](C2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)CN1 1891631031 VXLORVHZIUVYEB-AWEZNQCLSA-N 416.390 -0.056 5 10 HBBE O=C(CN1C[C@@H]2C[C@@]2(CO)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 782611403 CZWLQQNSENLKHM-KSSFIOAISA-N 424.479 -0.258 5 10 HBBE Cn1ccnc1C(=O)c1ccc(N2CCN3[C@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1458632319 JXPVTHSQPBMLGA-GFCCVEGCSA-N 406.424 -0.102 5 10 HBBE Cc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc2oc(=O)c3c(O)cc(O)cc3c12 1848438003 DOYQZZWFQGCFNI-DMXCXFHSSA-N 420.370 -0.155 5 10 HBBE O=[N+]([O-])c1sc(NC[C@@H]2CN3CCN2CC3)nc1NC[C@H]1CN2CCN1CC2 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Cc1c(Cl)cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] 427794351 AIHODIXWQDMZOA-VIFPVBQESA-N 402.816 -0.112 5 10 HBBE O=C(NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 497343961 WQOWNUMCSDTIPF-UHFFFAOYSA-N 419.438 -0.672 5 10 HBBE O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1858424492 RECUNYAQZXWDAN-RYUDHWBXSA-N 417.465 -0.091 5 10 HBBE O=C1C(NCCCN2CCOCC2)=C(c2ccccc2[N+](=O)[O-])C(=O)N1CCO 1863593842 QNMMGQKJKGJYKT-UHFFFAOYSA-N 404.423 -0.021 5 10 HBBE C[S@@](=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 735103608 NUFJOFNQRFRARI-RUZDIDTESA-N 404.470 -0.011 5 10 HBBE Cc1cc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc2oc(=O)c3c(O)cc(O)cc3c12 1848438004 DOYQZZWFQGCFNI-KNUIWWCGSA-N 420.370 -0.155 5 10 HBBE O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N1CCN2CCOC[C@@]2(CO)C1 1456231365 CCVNCMLUBQZLBQ-UGSOOPFHSA-N 408.411 -0.302 5 10 HBBE O=C(CN1CCN2[C@H](CNS2(=O)=O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1648412997 RUIMLXIYVONCRG-MRXNPFEDSA-N 424.483 -0.922 5 10 HBBE Cc1c([N+](=O)[O-])cc(C(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1[N+](=O)[O-] 1866361184 WLKZRKFSAGDLKP-RYUDHWBXSA-N 417.352 -0.504 5 10 HBBE O=c1c2c(O)cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2oc2c(O)ccc(O)c12 1077999905 IOJCAEBIAPRCCI-UROUGOOJSA-N 422.342 -0.758 5 10 HBBE COC(=O)[C@@]1(N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)CCOC1 1557558679 IPYGZKUUASDBGY-LJQANCHMSA-N 420.422 -0.199 5 10 HBBE CNC(=O)c1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 53557514 VFQKMQZICZBCRX-UHFFFAOYSA-N 413.456 -0.347 5 10 HBBE COC(=O)CNC(=O)CCNC(=O)[C@H](C)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867787098 AQHDXCAJTWDLFP-NSHDSACASA-N 423.426 -0.425 5 10 HBBE CCc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCCCO)[nH]2)cc1[N+](=O)[O-] 1871621089 HGGIMDZJSMZOOG-UHFFFAOYSA-N 421.458 -0.485 5 10 HBBE O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 436953423 PGPVIGBRPGBTEA-UHFFFAOYSA-N 400.413 -0.365 5 10 HBBE CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)CC1 1628180280 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LSPZHVOUVUIPDK-AWEZNQCLSA-N 415.472 -0.155 5 10 HBBE CN(C)C[C@@]1(O)CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1558044555 WIKOAHSKKOVWAN-INIZCTEOSA-N 400.457 -0.260 5 10 HBBE NC(=O)CC[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCCCNC=O 1861129502 HPNKYUWSCLGZCL-MRZGDXHCSA-N 405.411 -0.389 5 10 HBBE COc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c([N+](=O)[O-])cc1F 1457601481 QMLJIOMKOASRRQ-UONOGXRCSA-N 417.415 -0.342 5 10 HBBE CN(C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)C(=O)c1cc(O)c2ccc3ccccc3c2n1 1866514432 RUSVGOMKVMKPJL-HNJRGHQBSA-N 416.430 -0.399 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(N3C[C@@H](O)[C@H](CO)C3)c([N+](=O)[O-])c2)CC1 1458425893 CFPYVBKBKLCGDT-BLLLJJGKSA-N 400.457 -0.680 5 10 HBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN(Cc2nc[nH]n2)CC1 1583687068 TXPQEEIZILSOGD-UHFFFAOYSA-N 401.383 -0.217 5 10 HBBE CN(C)c1ccc(C(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1[N+](=O)[O-] 1866340932 SBTZIKOHWZRUCM-STQMWFEESA-N 401.397 -0.655 5 10 HBBE CNS(=O)(=O)c1ccc(N2CCN(c3nccn(C)c3=O)CC2)c([N+](=O)[O-])c1 467012990 GQPWTBAOBUYPDL-UHFFFAOYSA-N 408.440 -0.077 5 10 HBBE O=C(CN1C[C@@H]2C[C@]2(CO)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 782612337 AHRAMNKUMKLHAQ-KBXCAEBGSA-N 424.479 -0.258 5 10 HBBE Cn1nc(N2CCOCC2)nc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1869953297 FSNAAZNKKDFQDJ-UHFFFAOYSA-N 415.366 -0.205 5 10 HBBE O=C(CN1C[C@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 494703191 MDMIXFPAQLNHGL-INIZCTEOSA-N 424.479 -0.116 5 10 HBBE Cc1nn(CCC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c(C)c1[N+](=O)[O-] 523225233 YOJANMXICKIKSN-UHFFFAOYSA-N 408.459 -0.199 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(N3CCN(C)C[C@@H]3CO)c([N+](=O)[O-])c2)CC1 1163823874 UIUHIXOFOAWNMP-CQSZACIVSA-N 413.500 -0.356 5 10 HBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN(S(=O)(=O)C2CC2)CC1 1641592345 BZTZEJLIYZZSMF-UHFFFAOYSA-N 424.435 -0.043 5 10 HBBE O=C(NC[C@@]12COCCN1C(=O)COC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1675294051 DXGCDNPJJGCMKM-SFHVURJKSA-N 420.426 -0.551 5 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COCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1=O 542242463 RKGGIFSQCUYZTA-UHFFFAOYSA-N 401.397 -0.139 5 10 HBBE O=[N+]([O-])c1cccc(N=c2[nH]c(N(CCO)CCO)nc(=NC[C@H]3CCCO3)[nH]2)c1 1871518349 WKHBSVYZKXZKPO-OAHLLOKOSA-N 419.442 -0.251 5 10 HBBE C[C@H](O)[C@H](NC(=S)NCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O 585858919 UCSRWWATGDRSMJ-CPCISQLKSA-N 415.384 -0.469 5 10 HBBE O=C1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)C2(CN1)COC2 1132854050 URHUMTUSJGUSJG-UHFFFAOYSA-N 402.363 -0.021 5 10 HBBE COC(=O)[C@H]1CN(C)CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 1299455772 HWXSILGCEBQZFJ-AWEZNQCLSA-N 407.427 -0.043 5 10 HBBE CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3CC(=O)N(C)C3=O)cc2[N+](=O)[O-])CC1 1626120187 GFYCOUKXGJTJKA-ZDUSSCGKSA-N 403.395 -0.250 5 10 HBBE CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611641370 BCPNPPCFRMRLNV-GUTXKFCHSA-N 412.468 -0.071 5 10 HBBE O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1N1CC(CO)C1 428159986 BTILTAHAPXWSAW-UHFFFAOYSA-N 400.457 -0.366 5 10 HBBE CN(CC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1556503580 YXCGYRPPOHYZCH-CABCVRRESA-N 412.468 -0.117 5 10 HBBE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1626823465 WZJLBLTXMWXDDW-OLZOCXBDSA-N 400.457 -0.213 5 10 HBBE COc1cccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 443945595 PREQMSJNZIFJMW-UHFFFAOYSA-N 414.440 -0.062 5 10 HBBE CN(C)CCN(CC(=O)N(C)C)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 1300585694 TUEBBVDCBRTHKV-UHFFFAOYSA-N 408.459 -0.128 5 10 HBBE CNS(=O)(=O)c1ccc(N2CCO[C@]3(CCS(=O)(=O)C3)C2)c([N+](=O)[O-])c1 1472817632 WOWQNDXYICPCTC-CQSZACIVSA-N 405.454 -0.103 5 10 HBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)n1 427524071 WYLATEXTWSVKEA-UHFFFAOYSA-N 415.476 -0.939 5 10 HBBE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 1539378504 OVQHYMISIUXBON-HNNXBMFYSA-N 406.395 -0.113 5 10 HBBE CN(CNc1ccc([N+](=O)[O-])cc1Br)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O 253579201 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2037844559 VDQOQBFKUZTUKY-OYNZLANYSA-N 403.343 -0.348 5 10 HBBE C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1CCO 428550876 WGECFRNJNRHPPK-ZDUSSCGKSA-N 400.457 -0.260 5 10 HBBE O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 56459541 XKBOHOXLLPEJRL-UHFFFAOYSA-N 413.456 -0.001 5 10 HBBE COc1ccc([N+](=O)[O-])c(C(=O)NCCNC(=S)N[C@@H](C(=O)O)[C@H](C)O)c1 585862331 WQFXZCBKHZTJDY-QPUJVOFHSA-N 400.413 -0.369 5 10 HBBE CCS(=O)(=O)NCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 609464224 ORBIRLVBVQUNFZ-UHFFFAOYSA-N 406.486 -0.160 5 10 HBBE C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1639230998 VZZWAVLMSYHHQZ-QWHCGFSZSA-N 400.457 -0.213 5 10 HBBE CN(C)S(=O)(=O)N1CCCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 811788764 KRQYNYOKEHDVEZ-UHFFFAOYSA-N 411.440 -0.038 5 10 HBBE CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611641372 BCPNPPCFRMRLNV-NFAWXSAZSA-N 412.468 -0.071 5 10 HBBE CC(=O)N1CSC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 747385037 YSGLNNIJUBPJGX-CYBMUJFWSA-N 402.454 -0.089 5 10 HBBE O=C1CN(CC(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)CCN1 1556102503 HWTWBDQNRRCOFB-UHFFFAOYSA-N 401.427 -0.058 5 10 HBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCCN1CCN(CCO)CC1 1866025230 VDXYTJRGLDYTBC-UHFFFAOYSA-N 419.438 -0.693 5 10 HBBE O=C(CN1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1)N1CCOCC1 33510114 RAQQBGCWIDDWAS-UHFFFAOYSA-N 412.468 -0.099 5 10 HBBE COCC(=O)N1CCCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169850808 DXTPSRLCUMSBHQ-UHFFFAOYSA-N 404.379 -0.102 5 10 HBBE CN(C)CCN1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 513449218 VUEVDEAPPVAMON-UHFFFAOYSA-N 413.500 -0.031 5 10 HBBE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1COCCN1C 1479122732 LSPZHVOUVUIPDK-CQSZACIVSA-N 415.472 -0.155 5 10 HBBE COc1ccc(C(=O)NCC(=O)NCC23COCCN2CCOC3)cc1[N+](=O)[O-] 1557742337 OTFLGCCSCMVCTG-UHFFFAOYSA-N 408.411 -0.449 5 10 HBBE COC(=O)[C@@H]1O[C@@H](Oc2ccc3nc4ccc(=O)cc-4oc3c2)[C@H](O)[C@H](O)[C@@H]1O 2037844557 VDQOQBFKUZTUKY-FSNPWBFUSA-N 403.343 -0.348 5 10 HBBE CC(=O)N1CSC[C@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 735015697 TYZKRQXUVAQJEU-LBPRGKRZSA-N 402.454 -0.089 5 10 HBBE O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN2CCOC[C@H]2C1 554935872 LIGSGTSZLSWLHB-CQSZACIVSA-N 413.456 -0.401 5 10 HBBE CN(CC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1556503582 YXCGYRPPOHYZCH-HUUCEWRRSA-N 412.468 -0.117 5 10 HBBE CNC(=O)NC[C@@H]1CN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 1647790725 VRLULPRFPJYDJY-QGZVFWFLSA-N 420.470 -0.127 5 10 HBBE C[C@H]1[C@@H](O)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1170323609 GMHXCCZGMNBIPN-BBRMVZONSA-N 412.468 -0.117 5 10 HBBE O=C(Cc1nonc1OCc1cc([N+](=O)[O-])cc2c1OCOC2)N(CCO)CCO 1872642597 RODPUQFTZRBHFS-UHFFFAOYSA-N 424.366 -0.221 5 10 HBBE O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1COCCN1CC(F)F 498354454 NOAZEZKGYAPAMQ-LBPRGKRZSA-N 422.410 -0.045 5 10 HBBE O=C1CO[C@@H]2CCN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]2N1 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C[C@H]1CN(c2ccc([N+](=O)[O-])c(N3CCN(CCO)[C@H](C)C3)n2)CCN1CCO 433780970 DIGZLAUASWGAFI-JKSUJKDBSA-N 408.503 -0.005 5 10 HBBE CC(=O)N1CCN(c2nc(=NC[C@@H](C)O)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871520900 SCFXIMMTWUZPNT-GFCCVEGCSA-N 416.442 -0.172 5 10 HBBE CON(C)C(=O)CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 1186740137 QBQZLLPXOWHZPA-UHFFFAOYSA-N 401.445 -0.037 5 10 HBBE CN1C(=O)[C@@H]2CN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]2C1=O 1655355428 YNHUBYVSUKXRQR-IYBDPMFKSA-N 401.423 -0.210 5 10 HBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1COCCN1C 1684582595 VKHRHHAWIUUWBR-ZDUSSCGKSA-N 415.472 -0.155 5 10 HBBE NC(=O)C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCCN1CCOCC1 1861129295 DMXPDFYBYVVVEG-LLYBFZRZSA-N 419.438 -0.583 5 10 HBBE O=[N+]([O-])c1ccc([C@@H](O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 776277093 NPURVADDKOORHE-INIZCTEOSA-N 400.457 -0.177 5 10 HBBE CC(C)(O)CN1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1136523109 JELITNHOBOEXBM-UHFFFAOYSA-N 400.457 -0.212 5 10 HBBE CCN1CCN(c2nc(=NCCO)[nH]c(=Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)CC1 1871707888 FNJQKVWTUPIJFB-UHFFFAOYSA-N 418.458 -0.078 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(N[C@@H]3C[C@H](O)[C@H](O)C3)c([N+](=O)[O-])c2)CC1 1458617693 SYMBVUYIZGIQRD-WSXDHINRSA-N 400.457 -0.173 5 10 HBBE CN(C)C(=O)[C@H]1CSCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1631751950 LKMYHCZMWKDYDL-LLVKDONJSA-N 402.454 -0.137 5 10 HBBE CCNC(=O)Cn1cnc2c(nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1=O 1870104212 VQBQVPUIFIHUFQ-UHFFFAOYSA-N 415.366 -0.053 5 10 HBBE COC(=O)C1(O)CN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)C1 1588096005 LMVJOODIAHBQEK-UHFFFAOYSA-N 406.395 -0.377 5 10 HBBE Cc1c(C(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@@H]2O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1866344104 FYLJANIXOLCVOZ-RYUDHWBXSA-N 417.352 -0.504 5 10 HBBE O=C(N=c1nc(N2CC(O)C2)[nH]n1[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 1870003935 RCQZVSIOCCCSQA-LBPRGKRZSA-N 422.423 -0.599 5 10 HBBE COCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1[N+](=O)[O-] 14640134 PLAYPSHQOFYRFR-ZDUSSCGKSA-N 424.435 -0.010 5 10 HBBE C[C@@H](O)CN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520088 HOJMOMCFEWPEKL-LLVKDONJSA-N 416.442 -0.138 5 10 HBBE Cc1cc(=O)c(C(=O)N[C@@H](CO)CN2CCOCC2)nn1-c1ccccc1[N+](=O)[O-] 619871140 XFIVBAKNVAOBLF-CQSZACIVSA-N 417.422 -0.128 5 10 HBBE C[C@H](C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(C)CC1 1627402786 ZFYRNLDTEQCGOM-CQSZACIVSA-N 413.500 -0.033 5 10 HBBE COCCOCCN1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1644170620 DDTKPDJTLQVCDS-UHFFFAOYSA-N 420.422 -0.002 5 10 HBBE Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(N)c([N+](=O)[O-])c1 729518244 GCNZJXCJISDAIK-UHFFFAOYSA-N 413.456 -0.180 5 10 HBBE CN1CCN(C)CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1178973859 BJLZUMWWSMLIEZ-UHFFFAOYSA-N 413.500 -0.031 5 10 HBBE O=C(NC[C@@]12COCCN1C(=O)COC2)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1313167682 PNLXTXFWZPCWGZ-SFHVURJKSA-N 420.426 -0.551 5 10 HBBE CN1CCN(S(=O)(=O)N2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)CC1 587165128 PCUJPBYBUQDRFT-UHFFFAOYSA-N 414.488 -0.717 5 10 HBBE O=C(Cn1ncc([N+](=O)[O-])n1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1189947109 WUVZKSRGIJPCEG-UHFFFAOYSA-N 416.366 -0.002 5 10 HBBE COC(=O)[C@@H]1CN(C)CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 1299451780 HNCBNAJMKNQJFT-LLVKDONJSA-N 404.379 -0.246 5 10 HBBE C[C@@H]1CN(CCO)CCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1557000730 FAVFKTBQTSMBKU-CYBMUJFWSA-N 400.457 -0.260 5 10 HBBE O=C(CN1CCOCC1=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 468306730 ISKZAEIEZBRQGU-UHFFFAOYSA-N 412.424 -0.714 5 10 HBBE CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C[C@H]1CO 1472850148 SZIUJBRGEJQMAV-ZDUSSCGKSA-N 400.457 -0.272 5 10 HBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC(N2CC[C@@H](O)C2)CC1 1641797806 QAVNJQBYTXFQPX-CQSZACIVSA-N 412.468 -0.069 5 10 HBBE O=CNCCCNC(=O)CCc1nnc(=NC(=O)c2ccc([N+](=O)[O-])cc2)[nH]c1O 1860880402 WXUDJORETHWWPU-UHFFFAOYSA-N 417.382 -0.656 5 10 HBBE O=C(NC1CC1)[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 1891771978 WTCWCEUTJDRSEX-CYBMUJFWSA-N 402.363 -0.303 5 10 HBBE CC[N+]1(C)CCC(N(CCNC(C)=O)S(=O)(=O)C2CCS(=O)(=O)CC2)CC1 1853490220 LUONOLOBYWTZTQ-UHFFFAOYSA-O 424.609 -0.040 5 10 HBBE CC(=O)NCCNC(=O)[C@@H](CCC(N)=O)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330592442 GCCWRXFOYOKULW-OAHLLOKOSA-N 405.411 -0.389 5 10 HBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 466431416 PHPLPJNVJCCGFE-UHFFFAOYSA-N 404.383 -0.152 5 10 HBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC(=O)N1CCN(C(C)=O)CC1 518088772 BDVMEYHSUHENRP-UHFFFAOYSA-N 414.440 -0.038 5 10 HBBE CN(C)c1ccc(C(=O)N[C@H](CO)C(=O)NCCCC(=O)NC2CC2)cc1[N+](=O)[O-] 1867799735 JXHOERGOIDEXFS-CQSZACIVSA-N 421.454 -0.074 5 10 HBBE O=C(Nc1nc(N2CC(O)C2)nn1[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] 1870003429 LFGQQCBIHUCOGB-JTQLQIEISA-N 422.423 -0.021 5 10 HBBE O=C(CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)N1CC2(C[C@@H](O)CNC2=O)C1 1595698429 HAORPANASXKVOC-SNVBAGLBSA-N 410.333 -0.257 5 10 HBBE COCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 14640245 KRZDBYOPHXISFR-ZDUSSCGKSA-N 424.435 -0.010 5 10 HBBE C[C@H]1CN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])CCN1CCO 490034869 SCFNEYYDOFNPMF-AWEZNQCLSA-N 415.516 -0.063 5 10 HBBE CN1CCN(NC(=S)NCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 586402767 HESCMPUOFOYLAL-UHFFFAOYSA-N 411.444 -0.141 5 10 HBBE O=C(CN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1)N[C@@H]1CCS(=O)(=O)C1 559144015 DYGOLBGHISXEFG-CQSZACIVSA-N 412.468 -0.279 5 10 HBBE CC(C)(CO)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1447058975 IRCACHCYVZAMHB-UHFFFAOYSA-N 400.457 -0.212 5 10 HBBE CN1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1586931573 AEYYIJUHPZBGGJ-WMLDXEAASA-N 412.468 -0.117 5 10 HBBE C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)N1CCO 1636803146 BRGSHJGHHARDDB-BETUJISGSA-N 400.457 -0.213 5 10 HBBE O=C(CN1C[C@H]2CNC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 603909550 CJBKKZGTHVPIJM-HUUCEWRRSA-N 423.495 -0.421 5 10 HBBE CN(C)S(=O)(=O)N1CC(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 1637399113 KGAJRXCNQBUTTD-UHFFFAOYSA-N 412.472 -0.083 5 10 HBBE O=C1CSC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)N1 1521879598 WHTMUUOSPBFYJK-NSHDSACASA-N 414.465 -0.341 5 10 HBBE C[C@](CO)(NC(=O)CN1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 1302424285 JOODHHWQQUHATM-MRXNPFEDSA-N 400.457 -0.504 5 10 HBBE COC(OC)C(=O)N1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 1645201940 GHYMORNHKPMGSX-UHFFFAOYSA-N 408.411 -0.077 5 10 HBBE CCc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NCCOC)[nH]2)cc1[N+](=O)[O-] 1871617870 SEHUEPKGQYEFLK-UHFFFAOYSA-N 421.458 -0.221 5 10 HBBE O=C(CN1C[C@@H]2C[C@@]2(CO)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 782612339 AHRAMNKUMKLHAQ-KSSFIOAISA-N 424.479 -0.258 5 10 HBBE NC(=O)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCOCC1 1861033886 QAJVRWHSDRVNSK-INIZCTEOSA-N 421.454 -0.203 5 10 HBBE NC(=O)C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCOCC1 1861127966 XXNABULYFFGOFB-GIZXNFQBSA-N 419.438 -0.583 5 10 HBBE C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CCN1C 1565833210 HUMURQNEKNAOBJ-CJNGLKHVSA-N 413.500 -0.034 5 10 HBBE CCN1CCN(C2CN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])C2)CC1 1597580166 YYMAMNXPCLDPBO-UHFFFAOYSA-N 411.484 -0.279 5 10 HBBE COCCN1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O 1295175895 ARZATWRVPDSJKF-UHFFFAOYSA-N 400.413 -0.810 5 10 HBBE NC(=O)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCOCC1 1861034531 ZRNSHUATRAYEKV-HNNXBMFYSA-N 407.427 -0.593 5 10 HBBE O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1632157631 WYXHLJKDLLYAKH-KBPBESRZSA-N 401.416 -0.110 5 10 HBBE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1299830514 UBMSWWHOMXBMHU-GFCCVEGCSA-N 405.411 -0.101 5 10 HBBE O=c1n(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nnn1C1CC1 808135062 DWZVRGDKAJWQGT-UHFFFAOYSA-N 409.428 -0.353 5 10 HBBE COCC(COC)N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1583787269 CESMATHUHZRHFK-UHFFFAOYSA-N 420.422 -0.004 5 10 HBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)CN1CCN(C)C(=O)C1 1452203152 HZZXTSSECOKEMY-UHFFFAOYSA-N 413.456 -0.895 5 10 HBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C)C[C@@H](O)CN1C 1557176522 DPGSEMOEYWOIDJ-MLGOLLRUSA-N 400.457 -0.213 5 10 HBBE Cc1c(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCN2CCOCC2)cccc1[N+](=O)[O-] 1861012658 LKRVVPXUHWZOQI-YOEHRIQHSA-N 406.439 -0.073 5 10 HBBE CNc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] 29385143 LFAAULOVMLOFKG-UHFFFAOYSA-N 413.456 -0.029 5 10 HBBE CN1CCN(C)CC(C(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1630905437 VDBWADCXKRTBAY-UHFFFAOYSA-N 413.500 -0.175 5 10 HBBE Cc1c(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCN2CCOCC2)cccc1[N+](=O)[O-] 1861009958 FREOOKORFMMGBU-HNNXBMFYSA-N 421.454 -0.284 5 10 HBBE CC(=O)NCCN=c1nc(N2CCN(C)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521546 KLJHFFRSDOBXLW-UHFFFAOYSA-N 415.458 -0.333 5 10 HBBE CC(=O)N1CCN(c2ccc(C(=O)NCCc3nnnn3C)cc2[N+](=O)[O-])CC1 611315826 ICPQBNMRTQJJKQ-UHFFFAOYSA-N 402.415 -0.241 5 10 HBBE CN(CC(=O)NOCCN1CCCC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1634251265 OVWOSCKCCQJSQE-UHFFFAOYSA-N 400.413 -0.115 5 10 HBBE CN(C)S(=O)(=O)N1CCC(CNC(=O)c2cc([N+](=O)[O-])c(=O)n(C)c2)CC1 1892225033 GGOSDDLOEPVXQD-UHFFFAOYSA-N 401.445 -0.458 5 10 HBBE O=C([C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 16735322 ZRRATXFAXXLENA-LBPRGKRZSA-N 417.465 -0.138 5 10 HBBE CN(C)S(=O)(=O)N1CC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)C1 1131994051 UZZPHWRKTIBLAZ-UHFFFAOYSA-N 400.413 -0.024 5 10 HBBE COC(=O)CNC(=O)CCNC(=O)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867823404 XYDMLMCYSUFTQY-UHFFFAOYSA-N 411.327 -0.972 5 10 HBBE COCCN(CC(=O)N(C)C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1627131331 JSTDPWPDTIXSBN-UHFFFAOYSA-N 402.429 -0.564 5 10 HBBE CN1CCO[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1=O 1618208426 CKEDUOZUOYNFDX-CQSZACIVSA-N 412.424 -0.715 5 10 HBBE CN(C)S(=O)(=O)N1CC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 1684434987 PRUUJVGVYLTARR-UHFFFAOYSA-N 413.460 -0.688 5 10 HBBE C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCS1(=O)=O 547324083 GUMVOFZQMAREQT-NSHDSACASA-N 405.454 -0.139 5 10 HBBE CC[C@@H](CO)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1596656382 NLQSGSGBDBZOFG-ZDUSSCGKSA-N 400.457 -0.212 5 10 HBBE O=C(NCC(=O)N1CCN2CCOC[C@@]2(CO)C1)NCc1ccc([N+](=O)[O-])cc1 1635834268 XWXMZZGCDHZHGZ-SFHVURJKSA-N 407.427 -0.701 5 10 HBBE O=[N+]([O-])c1ncccc1CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1642227240 PULREERUFUWKNK-ZDUSSCGKSA-N 404.470 -0.376 5 10 HBBE CNS(=O)(=O)c1ccccc1N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 438717950 BYPMWSXPGLVFSV-HNNXBMFYSA-N 424.483 -0.118 5 10 HBBE O=C(CN1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1)N1CCOCC1 27364165 YRLAHUAZWHDRRK-UHFFFAOYSA-N 417.466 -0.040 5 10 HBBE Cc1c(C(=O)Nc2nc(N(CCO)CCO)nn2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1869957204 KNOWNVWWVVLXKT-UHFFFAOYSA-N 409.359 -0.017 5 10 HBBE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 540114283 IXJITDGQTUUEEU-VXGBXAGGSA-N 416.460 -0.560 5 10 HBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCN2CCOC[C@@]2(CO)C1 1472062853 XAYUISNHVBTTGZ-SFHVURJKSA-N 406.395 -0.774 5 10 HBBE COC(=O)[C@](C)(NC(=O)CN(C)S(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 1642252110 DYPFSYSCLSBINB-OAHLLOKOSA-N 402.429 -0.163 5 10 HBBE NC(=O)CC[C@H](NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1865770129 LGCBZUBBSMBTNK-JTQLQIEISA-N 406.351 -0.194 5 10 HBBE O=C(CN1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1)N1CCOCC1 485017302 MIVMEFBYDXUNMV-UHFFFAOYSA-N 406.395 -0.060 5 10 HBBE COC1(OC)CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1O 1299814398 JHTKBDGKFMIECU-CQSZACIVSA-N 417.440 -0.202 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(N3CC(CO)(CO)C3)c([N+](=O)[O-])c2)CC1 1472875950 HFEFBJMVIVSONM-UHFFFAOYSA-N 400.457 -0.678 5 10 HBBE C[C@@H](O)[C@@H](NC(=S)NCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O 585858925 UCSRWWATGDRSMJ-RDDDGLTNSA-N 415.384 -0.469 5 10 HBBE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1OCCN(C)C1=O 1630189300 HIBNWPWVAWBZLQ-ZDUSSCGKSA-N 400.413 -0.811 5 10 HBBE CC(=O)NCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1861809591 OPTPQSCGIMQWFW-IUODEOHRSA-N 423.382 -0.361 5 10 HBBE C[C@@H]1CN(CCO)CCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1299280789 HUOCEGPKLVLGQW-CYBMUJFWSA-N 400.457 -0.212 5 10 HBBE COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCN2CCOCC2)c1 1861344005 CXZRVSBTTPKIFB-SUMWQHHRSA-N 422.438 -0.373 5 10 HBBE CN(C)c1ccc(C(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1[N+](=O)[O-] 1866340930 SBTZIKOHWZRUCM-OLZOCXBDSA-N 401.397 -0.655 5 10 HBBE C[C@@H](O)[C@H](NC(=S)NCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O 585858924 UCSRWWATGDRSMJ-HQJQHLMTSA-N 415.384 -0.469 5 10 HBBE CN(C)CCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520604 IVCKOYUVBBRUEV-UHFFFAOYSA-N 406.447 -0.868 5 10 HBBE NC(=O)CC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NCCCNC=O 1861123797 LYCRRBOQUQZYRD-SBJJXXPASA-N 405.411 -0.389 5 10 HBBE O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1 1473617764 AXAQYUIAXSIJJZ-QGZVFWFLSA-N 424.483 -0.196 5 10 HBBE Cc1c(C(=O)N[C@H](CCC(N)=O)C(=O)NCCN2CCOCC2)cccc1[N+](=O)[O-] 1861010178 IIVYVJVAQYADSC-OAHLLOKOSA-N 421.454 -0.284 5 10 HBBE O=C(COc1nonc1CC(=O)N(CCO)CCO)Nc1cccc([N+](=O)[O-])c1 1872637163 FZFUYBADIIDYLI-UHFFFAOYSA-N 409.355 -0.649 5 10 HBBE O=C1NC[C@H]2CN(c3nc(N4CCN5C(=O)NC[C@H]5C4)c([N+](=O)[O-])s3)CCN12 431805797 WVTQRYSFHPTNAY-UWVGGRQHSA-N 408.444 -0.521 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(N3CCN(C)C[C@H]3CO)c([N+](=O)[O-])c2)CC1 1163823873 UIUHIXOFOAWNMP-AWEZNQCLSA-N 413.500 -0.356 5 10 HBBE CNS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 1636448510 GBVAPTMEAVVPCV-UHFFFAOYSA-N 404.470 -0.099 5 10 HBBE O=C(O)CC[C@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)C(=O)O 1860755211 WJOHECLXTBVMPM-NSHDSACASA-N 409.355 -0.927 5 10 HBBE CC(=O)NCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1861794668 RJXPNYGJYZPBAD-SWLSCSKDSA-N 423.382 -0.361 5 10 HBBE CN=c1[nH]c(O[C@@H]2CS(=O)(=O)C[C@@H]2NC(=O)OC(C)(C)C)ncc1[N+](=O)[O-] 2184566565 AIWNGTOKLGEWCR-WCBMZHEXSA-N 403.417 -0.083 5 10 HBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCO[C@@H](CN2CCOCC2)C1 1642663573 YRRGCKXHRSRUSR-ZDUSSCGKSA-N 418.406 -0.250 5 10 HBBE O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1 1473617761 AXAQYUIAXSIJJZ-KRWDZBQOSA-N 424.483 -0.196 5 10 HBBE O=C(O)CNC(=O)CNC(=S)NCCNC(=O)/C=C/c1ccc([N+](=O)[O-])s1 585858335 QGEIMWOQHOMDFY-HNQUOIGGSA-N 415.453 -0.549 5 10 HBBE CN1C(=O)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1=O 1139111901 WLTADZDGWLXNTE-GFCCVEGCSA-N 424.435 -0.177 5 10 HBBE COCCN1CN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 1233876209 RUAJJNQCVDVAOE-UHFFFAOYSA-N 400.413 -0.174 5 10 HBBE C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1CCO 428524333 UVHAOPATBBOWDZ-CYBMUJFWSA-N 400.457 -0.212 5 10 HBBE CS(=O)(=O)c1ccc(C(=O)N(CCO)CCN2CCOCC2)c([N+](=O)[O-])c1 1596650191 NAYLVMHSUPMSOY-UHFFFAOYSA-N 401.441 -0.235 5 10 HBBE CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc([N+](=O)[O-])c1 1865722739 YWEBXHBFAWUVEZ-NSHDSACASA-N 401.379 -0.177 5 10 HBBE O=C(NCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])o1 13726483 FKGMKCNSBCKOMV-UHFFFAOYSA-N 410.412 -0.140 5 10 HBBE COCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871642327 SKCHKFIOIAZRNF-UHFFFAOYSA-N 407.431 -0.475 5 10 HBBE O=C(NC1CC1)[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1 1891771979 WTCWCEUTJDRSEX-ZDUSSCGKSA-N 402.363 -0.303 5 10 HBBE O=c1c2cc(O)ccc2oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12 238773165 KRCBALDMBZQTIQ-ZJKJAXBQSA-N 406.343 -0.422 5 10 HBBE COc1ccc(S(=O)(=O)N2CCN([C@@H]3CCC(=O)NC3=O)CC2)cc1[N+](=O)[O-] 799106913 HUMDKOXKPWERIC-GFCCVEGCSA-N 412.424 -0.285 5 10 HBBE CS(=O)(=O)CC1(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)COC1 1450410742 NLGVBFAJYICBHV-UHFFFAOYSA-N 411.436 -0.060 5 10 HBBE CCOC(=O)[C@H](CC(N)=O)NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 1866055678 BLUFHLAOSZMSOT-ZDUSSCGKSA-N 407.427 -0.117 5 10 HBBE O=C(CN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1 26715644 DVRSLDHZFLHUBP-KRWDZBQOSA-N 408.455 -0.189 5 10 HBBE O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N(CCO)CCN1CCOCC1 513806699 NEDWROQTBDJOGZ-AWEZNQCLSA-N 410.427 -0.055 5 10 HBBE COC(=O)[C@@H]1CSCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1471901284 XDWHQQDQJRSHFE-NSHDSACASA-N 403.438 -0.010 5 10 HBBE O=c1n(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc2cnccn12 758292067 YKDOKMZMXFCEFM-UHFFFAOYSA-N 419.423 -0.237 5 10 HBBE O=C(c1n[nH]cc1[N+](=O)[O-])N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1464902345 RIAWRSCKXVEARH-GFCCVEGCSA-N 401.445 -0.331 5 10 HBBE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Cn2c([N+](=O)[O-])cnc2C)C1 1524954501 CBGWJRUFURXMID-ZDUSSCGKSA-N 403.461 -0.001 5 10 HBBE C[C@@H](O)CNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCN2CCOCC2)C1=O 1863597724 PIFZAVORHLIWIY-CYBMUJFWSA-N 404.423 -0.023 5 10 HBBE O=C(N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O)c1cc(O)c2ccc3cccnc3c2n1 1866514470 UDELKKYCSAMUBQ-WCARXYILSA-N 401.375 -0.982 5 10 HBBE O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1COCCN1CC(F)F 498354452 NOAZEZKGYAPAMQ-GFCCVEGCSA-N 422.410 -0.045 5 10 HBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C[C@@H](O)CN2CCOCC2)CC1 26711645 QWKWOTNZVCTMPJ-OAHLLOKOSA-N 414.484 -0.406 5 10 HBBE O=C(N=c1[nH]c(O)ncc1[N+](=O)[O-])c1ccc(S(=O)(=O)N2CCOCC2)cc1 1858053938 GFOAQNAPSNAONE-UHFFFAOYSA-N 409.380 -0.215 5 10 HBBE COC(=O)CNC(=O)CCNC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1868045997 YYHZDRADZMMINO-UHFFFAOYSA-N 406.351 -0.624 5 10 HBBE CN(C)S(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 1457800472 AGKQFDHJAOXXSJ-UHFFFAOYSA-N 401.445 -0.443 5 10 HBBE CC(=O)NCCNC(=O)[C@H](CCC(N)=O)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861129545 ISMNODSDHZRJHW-MRZGDXHCSA-N 405.411 -0.389 5 10 HBBE CN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 540065292 BUCMBZRKVYQFSB-UHFFFAOYSA-N 411.484 -0.325 5 10 HBBE C[C@@](CO)(NC(=O)CN1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 1302424284 JOODHHWQQUHATM-INIZCTEOSA-N 400.457 -0.504 5 10 HBBE Cc1c(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCN2CCOCC2)cccc1[N+](=O)[O-] 1861012657 LKRVVPXUHWZOQI-WMLDXEAASA-N 406.439 -0.073 5 10 HBBE CN(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@H]2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1439750744 ZREKVXCIVGGDSZ-TXEJJXNPSA-N 417.465 -0.282 5 10 HBBE CC(=O)N(C)CC(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 729185917 BGDZRALBNKWEJX-UHFFFAOYSA-N 401.397 -0.001 5 10 HBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 1635983189 ZOBYIQLSHKQBBE-LSDHHAIUSA-N 412.468 -0.069 5 10 HBBE CNS(=O)(=O)c1ccc(N2CCN(C(=O)C(OC)OC)CC2)c([N+](=O)[O-])c1 1655872579 MAIIAUVSGZYEKH-UHFFFAOYSA-N 402.429 -0.230 5 10 HBBE C[C@H](O)CN1C(=O)C(NCCN2CCOCC2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863596275 PQYZPERZKNTBHG-ZDUSSCGKSA-N 404.423 -0.023 5 10 HBBE C[C@@H]1CN2CCN1C[C@@H]2C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1142426794 RKZDJILSQRNGEC-CZUORRHYSA-N 411.484 -0.280 5 10 HBBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCCNC=O)cc1[N+](=O)[O-] 1861810237 VYSIKJKDVZZPSS-IUODEOHRSA-N 423.382 -0.361 5 10 HBBE O=C(c1cnn(CCO)c1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1540376236 XUYPBTNJAAEZSF-UHFFFAOYSA-N 409.424 -0.070 5 10 HBBE CN(C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)C(=O)c1c[nH]c2c(ccc3ccccc32)c1=O 1866355042 ZNVYFWVIFVZYHG-JSJNYSNDSA-N 416.430 -0.811 5 10 HBBE COC(=O)[C@H]1C(c2cccc([N+](=O)[O-])c2)[C@H](C(=O)OC)S(=O)(=O)CS1(=O)=O 3121879 RDQJDVYEECPAET-VXGBXAGGSA-N 421.405 -0.438 5 10 HBBE O=C(NC[C@]12COCCN1C(=O)COC2)c1cccc([N+](=O)[O-])c1N1CCOCC1 1532289644 SNDMFORHGWYPKA-LJQANCHMSA-N 420.422 -0.211 5 10 HBBE O=C(CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC(CO)(CO)CO 1866026397 SDDXSBZURPBMER-UHFFFAOYSA-N 409.395 -0.417 5 10 HBBE CN(C)c1ccc(C(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1[N+](=O)[O-] 1866340929 SBTZIKOHWZRUCM-CHWSQXEVSA-N 401.397 -0.655 5 10 HBBE COc1ccc(NC(=O)[C@@H](CO)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1866586135 ISIXXVPOVYGVAS-CMPLNLGQSA-N 415.424 -0.156 5 10 HBBE Cc1nc(N2CCN3CCOC[C@@H]3C2)nc(N2CCN3CCOC[C@H]3C2)c1[N+](=O)[O-] 544411433 FWHGBKQHVIGVRH-CVEARBPZSA-N 419.486 -0.265 5 10 HBBE CN1CCN(C)CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1156962901 UAGMAKSCITZHND-UHFFFAOYSA-N 413.500 -0.031 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3nnnn3C)c([N+](=O)[O-])c2)CC1 466835385 MPOJKZCBQCBPQP-UHFFFAOYSA-N 410.460 -0.309 5 10 HBBE O=C(NC[C@@H]1COCO1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1313189329 MMPVLIOMTHESCA-GFCCVEGCSA-N 400.413 -0.016 5 10 HBBE CC(C)CO[C@@H](CC(=O)N1CC(S(=O)(=O)c2nncn2C)C1)C[N+](C)(C)C 1852560011 USSBTSGMAQKSOC-AWEZNQCLSA-N 402.541 -0.063 5 10 HBBE O=C(CN1C[C@@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 494714637 XRTQVTJJICLOHZ-MRXNPFEDSA-N 424.479 -0.116 5 10 HBBE COC(=O)c1cc(C)nc(NCCN2CCN(S(C)(=O)=O)CC2)c1[N+](=O)[O-] 587439258 QQWQHKSLZOTMQX-UHFFFAOYSA-N 401.445 0.074 5 10 HBBE Cc1c(N=c2[nH]c(N3CCOCC3)nc(=NCCOCCO)[nH]2)cccc1[N+](=O)[O-] 1871645081 KTVMLCVHHWBMHF-UHFFFAOYSA-N 419.442 -0.067 5 10 HBBE COc1ccc(N=c2[nH]c(N3CCN(C)CC3)nc(=NCCO)[nH]2)cc1[N+](=O)[O-] 1871708529 PYCDMYIJBOXNRW-UHFFFAOYSA-N 404.431 -0.468 5 10 HBBE O=C1NC[C@H]2CN(c3nc(N4CCN5C(=O)NC[C@@H]5C4)c([N+](=O)[O-])s3)CCN12 431805799 WVTQRYSFHPTNAY-ZJUUUORDSA-N 408.444 -0.521 5 10 HBBE CN(CC(=O)NCCN1CCC(O)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1298014234 XVVAQYQSDPFSDZ-UHFFFAOYSA-N 400.457 -0.212 5 10 HBBE O=C(O)CC[C@@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)C(=O)O 1860755210 WJOHECLXTBVMPM-LLVKDONJSA-N 409.355 -0.927 5 10 HBBE O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CCN2[C@H](CNS2(=O)=O)C1 1558508336 PUZVVFZMCZFQLH-LLVKDONJSA-N 410.387 -0.106 5 10 HBBE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)N1C(=O)CCC1=O 603497345 ROIZBKQFHHLKLY-LBPRGKRZSA-N 424.435 -0.035 5 10 HBBE O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CCN2CCOC[C@]2(CO)C1 1156867202 RKTDEUWPPMPMDX-LJQANCHMSA-N 418.406 -0.233 5 10 HBBE C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)CN1CCO 1626823464 WZJLBLTXMWXDDW-CHWSQXEVSA-N 400.457 -0.213 5 10 HBBE CON(C)C(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1643051709 HTLHEUIQQWIPTO-ZDUSSCGKSA-N 400.413 -0.116 5 10 HBBE Cn1c(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cnc1[N+](=O)[O-] 1890052033 OSFQHTFAFCFDEI-UHFFFAOYSA-N 402.415 -0.083 5 10 HBBE C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1CCO 428514146 FFHTYPFKGSEWSK-CYBMUJFWSA-N 400.457 -0.212 5 10 HBBE COc1ccc(C(=O)NCC(=O)N(C)CCN2CCCS2(=O)=O)cc1[N+](=O)[O-] 610638538 CXYUNNIYYOWCQL-UHFFFAOYSA-N 414.440 -0.173 5 10 HBBE O=C1NC(=O)N2CCN(C(=O)CN3C(=O)C(F)(F)c4cc([N+](=O)[O-])ccc43)C[C@@H]12 1294124512 ZYUMALOOUZDVGF-NSHDSACASA-N 409.305 -0.204 5 10 HBBE CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1637342338 FYYOGWVHDDNZSA-UHFFFAOYSA-N 415.472 -0.017 5 10 HBBE COc1cc(C(=O)NCCNC(=S)N[C@@H](C(=O)O)[C@@H](C)O)ccc1[N+](=O)[O-] 585858388 RHTPTPDXWGYLGH-PRHODGIISA-N 400.413 -0.369 5 10 HBBE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12 1279671476 WCVLXXKBCDHGCJ-ZNMIVQPWSA-N 411.436 -0.015 5 10 HBBE Cc1c(N=c2[nH]c(N3CC(O)C3)nc(=NCCOCCO)[nH]2)cccc1[N+](=O)[O-] 1871644864 INASJNQYOZMEMW-UHFFFAOYSA-N 405.415 -0.723 5 10 HBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@@H](O)Cn1ccccc1=O 1891382349 PFRNHDOQLXGPHH-LLVKDONJSA-N 400.347 -0.470 5 10 HBBE C[C@H](CN1CCOCC1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 542182532 MROMPCHGNZOZOC-CYBMUJFWSA-N 400.457 -0.042 5 10 HBBE NS(=O)(=O)c1ccc(Nc2ncc([N+](=O)[O-])c(=NCCN3CCOCC3)[nH]2)cc1 1871302879 XINZYYUWEYNOQI-UHFFFAOYSA-N 423.455 -0.058 5 10 HBBE CN(C)C[C@@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1634876106 CYCXQQFFCWAFCN-SWLSCSKDSA-N 400.457 -0.213 5 10 HBBE O=C(NC[C@]12COCCN1C(=O)COC2)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 1624461608 OZEORBJFNINUSP-CRAIPNDOSA-N 404.379 -0.168 5 10 HBBE NC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCOCC1 1861033546 JDXOSLNMCIQCEU-HNNXBMFYSA-N 407.427 -0.593 5 10 HBBE COc1cc(C(=O)NCCNC(=S)N[C@H](C(=O)O)[C@H](C)O)ccc1[N+](=O)[O-] 585858391 RHTPTPDXWGYLGH-UFBFGSQYSA-N 400.413 -0.369 5 10 HBBE O=C(NC1COCCOC1)c1cc(C(=O)NC2COCCOC2)cc([N+](=O)[O-])c1 590436000 SNEZHNBBRLIZDL-UHFFFAOYSA-N 409.395 -0.115 5 10 HBBE CN(C)C(=O)COC1CN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 482251645 ZHLYVGCTYFCSNI-UHFFFAOYSA-N 414.440 -0.421 5 10 HBBE COc1ccc([N+](=O)[O-])c(C(=O)NCCNC(=S)N[C@H](C(=O)O)[C@H](C)O)c1 585862333 WQFXZCBKHZTJDY-UFBFGSQYSA-N 400.413 -0.369 5 10 HBBE CN1CCN(C)CC(C(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1162121755 OYGJLQYQYSUWEJ-UHFFFAOYSA-N 413.500 -0.175 5 10 HBBE CNC(=O)NC[C@@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CCO1 1652056148 XZAMXBUFCPOUOF-LLVKDONJSA-N 401.445 -0.021 5 10 HBBE COc1ccc(C(=O)NCCNC(=S)N[C@H](C(=O)O)[C@H](C)O)cc1[N+](=O)[O-] 585867645 MTQVGCOTLJMITO-UFBFGSQYSA-N 400.413 -0.369 5 10 HBBE CN1C[C@H](O)C[C@]1(C)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1586931572 AEYYIJUHPZBGGJ-RHSMWYFYSA-N 412.468 -0.117 5 10 HBBE NS(=O)(=O)C[C@@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 1655770773 PCDVDIKFCVDUGL-CQSZACIVSA-N 411.484 -0.146 5 10 HBBE COc1ccc(N=c2[nH]c(N3CCN(C)CC3)nc(=NCCCO)[nH]2)cc1[N+](=O)[O-] 1871705194 CIKAXTRMGLNZFU-UHFFFAOYSA-N 418.458 -0.078 5 10 HBBE C[C@@H](CN1CCOCC1)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 543098540 QLWGTFPTINBHKT-ZDUSSCGKSA-N 400.457 -0.042 5 10 HBBE O=C(NCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)NCCN1CCOCC1 586431794 WTMCBJKAXASKRB-UHFFFAOYSA-N 410.387 -0.136 5 10 HBBE Cn1[nH]c([N+](=O)[O-])nc1=NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2162418792 WLOYBZPCYZAZJI-SNVBAGLBSA-N 404.449 -0.019 5 10 HBBE Cn1cc(/C=C\C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(=O)n(C)c1=O 914765442 JLQUSSIITZDIDG-UTCJRWHESA-N 400.395 -0.251 5 10 HBBE COC(=O)[C@H]1CN(C)CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 1630137682 ADPXRWCFUJXFEX-LBPRGKRZSA-N 406.395 -0.117 5 10 HBBE CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C[C@@H]1CO 1472850140 SZIUJBRGEJQMAV-CYBMUJFWSA-N 400.457 -0.272 5 10 HBBE CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706945 OWJIJLVELVKHDS-UHFFFAOYSA-N 418.458 -0.078 5 10 HBBE O=[N+]([O-])c1ccc([C@H](O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 776277096 NPURVADDKOORHE-MRXNPFEDSA-N 400.457 -0.177 5 10 HBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cn2nnn(C3CC3)c2=O)CC1 808135631 OBPBXDBYXZUORF-UHFFFAOYSA-N 423.455 -0.045 5 10 HBBE NS(=O)(=O)C[C@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 1655770772 PCDVDIKFCVDUGL-AWEZNQCLSA-N 411.484 -0.146 5 10 HBBE C[C@@H](CO)N(C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 503121046 VFFSVRMPARVVFK-ZDUSSCGKSA-N 400.457 -0.260 5 10 HBBE CN1CN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1=O 462332902 ORBRDPKDTHFWAJ-UHFFFAOYSA-N 411.440 -0.841 5 10 HBBE NC(=O)C[C@@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCOCC1 2330635185 QDPIYXFQCGEADN-MRXNPFEDSA-N 419.438 -0.583 5 10 HBBE O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 444036788 YURJPXTWZOBYFI-HUUCEWRRSA-N 419.481 -0.488 5 10 HBBE CN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C[C@@H]1CO 1187271223 KPMJBDIVWKVENX-CQSZACIVSA-N 400.457 -0.272 5 10 HBBE COc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c([N+](=O)[O-])cc1F 1457601482 QMLJIOMKOASRRQ-ZIAGYGMSSA-N 417.415 -0.342 5 10 HBBE COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 1872993237 PTQHYCHPUIDQQW-BXUZGUMPSA-N 404.379 -0.162 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(CCN=c3[nH]cnc(N)c3[N+](=O)[O-])cc2)CC1 1859505910 IPMFCFDZLWEBJZ-UHFFFAOYSA-N 421.483 -0.020 5 10 HBBE COc1cc(C(=O)Nc2nc(N(CCO)CCO)nn2C)c([N+](=O)[O-])cc1OC 1869957411 QUIZXGBCGPNISI-UHFFFAOYSA-N 410.387 -0.216 5 10 HBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCS(=O)(=O)N1CCCC1 1463058269 NBOKGRUQVVQCSY-UHFFFAOYSA-N 412.424 -0.138 5 10 HBBE CS(=O)(=O)N1CCN(C(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1873784897 OZGQSUFUHRHKOB-UHFFFAOYSA-N 410.408 -0.315 5 10 HBBE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1473582077 JGAKEDHRYBHQMN-QWHCGFSZSA-N 407.470 -0.383 5 10 HBBE CC(=O)NCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCNC(C)=O)C1=O 1863591760 NGZVRCXOZYMKNB-UHFFFAOYSA-N 403.395 -0.464 5 10 HBBE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@]1(C)C[C@H](O)CN1C 1639347825 RNQJBXGNIFXGFR-BBRMVZONSA-N 400.457 -0.213 5 10 HBBE O=C(N[C@@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O)c1cc(O)c2ccc3cccnc3c2n1 1866514469 UDELKKYCSAMUBQ-QEVGBQTESA-N 401.375 -0.982 5 10 HBBE COCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518870 YMDBJHNDLQNPJI-UHFFFAOYSA-N 407.431 -0.393 5 10 HBBE Cc1c(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCCNC=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861794690 RNDCWSNNCSOWIO-SWLSCSKDSA-N 423.382 -0.361 5 10 HBBE Cc1c([N+](=O)[O-])cc(C(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1[N+](=O)[O-] 1866361185 WLKZRKFSAGDLKP-VXGBXAGGSA-N 417.352 -0.504 5 10 HBBE COc1nc(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)nc(N(C)C)n1 1891038523 RFPYLGNUBPWPAS-UHFFFAOYSA-N 415.366 -0.233 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(N3C[C@@H](O)C[C@@H](O)C3)c([N+](=O)[O-])c2)CC1 610588309 XOSRJOGYIKVCFT-BETUJISGSA-N 400.457 -0.537 5 10 HBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCO[C@H](CN2CCOCC2)C1 1557745152 FXVIZOALEFQJBM-OAHLLOKOSA-N 420.422 -0.120 5 10 HBBE CN(C)CCCNS(=O)(=O)c1ccc(N(C)Cc2nnnn2C)c([N+](=O)[O-])c1 466810158 WGHKQRPCSKFSAG-UHFFFAOYSA-N 412.476 -0.015 5 10 HBBE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 1304577783 RKZGRNAVJHOUGD-NSHDSACASA-N 412.786 -0.180 5 10 HBBE CNC(=O)CN1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 1456035611 FSZWQWVZEQLYNJ-UHFFFAOYSA-N 406.443 -0.326 5 10 HBBE CN(C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)C(=O)c1cc2c(ccc3ccccc32)oc1=O 1866408535 CRUKSHQRHLTLER-CAMMJAKZSA-N 417.414 -0.546 5 10 HBBE CS(=O)(=O)NC[C@H]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 1462629105 LDFYXCIRNPWFOK-LLVKDONJSA-N 412.424 -0.282 5 10 HBBE Cc1nnc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)n1C 1868123734 VQKPXBRBUPEMIZ-UHFFFAOYSA-N 413.394 -0.023 5 10 HBBE CN(C)S(=O)(=O)NCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1686544925 IASFDTGENNKGLB-UHFFFAOYSA-N 400.461 -0.178 5 10 HBBE O=C1C(NCCO)=C(c2ccccc2[N+](=O)[O-])C(=O)N1CCCN1CCOCC1 1863594879 LUNQANPGGOKHGU-UHFFFAOYSA-N 404.423 -0.021 5 10 HBBE CN(CNc1ccc([N+](=O)[O-])cc1Br)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 253579202 ZIJSBIRJGVZEGC-MBJXGIAVSA-N 422.232 -0.542 5 10 HBBE CC(=O)N1CCN(c2ccc(C(=O)N(CCO)CCOCCO)cc2[N+](=O)[O-])CC1 1470601537 YMQWXXMEWONPIN-UHFFFAOYSA-N 424.454 -0.293 5 10 HBBE O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(S(=O)(=O)N2CCOCC2)CC1 505261866 ZUMRJRAREDONSE-UHFFFAOYSA-N 400.413 -0.365 5 10 HBBE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21 1437558153 MVRCLCOBYZAIMX-PWSUYJOCSA-N 419.362 -0.039 5 10 HBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCCN2CCO 1456855466 NBSCEEKWAVKAJH-ZIAGYGMSSA-N 412.468 -0.069 5 10 HBBE CN(C)CCN(CC(=O)N(C)C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1146782375 NZMSXDRRZIFTOD-UHFFFAOYSA-N 415.472 -0.649 5 10 HBBE C[C@H]1CN(CCO)CCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1557000731 FAVFKTBQTSMBKU-ZDUSSCGKSA-N 400.457 -0.260 5 10 HBBE CN1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1586931571 AEYYIJUHPZBGGJ-PBHICJAKSA-N 412.468 -0.117 5 10 HBBE O=C(NCC(=O)N1CCN2CCOC[C@@]2(CO)C1)c1c(Cl)cccc1[N+](=O)[O-] 1472062558 MEBMRRROPFZYEW-KRWDZBQOSA-N 412.830 -0.117 5 10 HBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 1623919065 FUYBSYMSBFKWAA-ZDUSSCGKSA-N 411.440 -0.240 5 10 HBBE O=C(CN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1)N1CCOCC1 26715640 DVRSLDHZFLHUBP-QGZVFWFLSA-N 408.455 -0.189 5 10 HBBE CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCN(CCO)CC2)CC1 59422528 QYMHZWZENAAVCA-UHFFFAOYSA-N 413.500 -0.355 5 10 HBBE CNC(=O)COc1nonc1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1872640376 XCMHXQTVIAGSNO-UHFFFAOYSA-N 404.383 -0.006 5 10 HBBE CC(C)(C)OC(=O)NC(CO)(CO)CNS(=O)(=O)c1cncc([N+](=O)[O-])c1 2296340362 AALFNRLTWORYPS-UHFFFAOYSA-N 406.417 -0.484 5 10 HBBE CC(C)(CCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)[N+](=O)[O-] 1625126758 SDNOCNITPUOZEL-LBPRGKRZSA-N 411.502 -0.517 5 10 HBBE CN(C)C[C@]1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1558043427 NHRMMKQJBGNUPQ-MRXNPFEDSA-N 400.457 -0.212 5 10 HBBE CN=c1[nH]c(O[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)OC(C)(C)C)ncc1[N+](=O)[O-] 2184566563 AIWNGTOKLGEWCR-PSASIEDQSA-N 403.417 -0.083 5 10 HBBE COc1ccccc1NC(=O)CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 441580660 JKAXQTNISWFREV-UHFFFAOYSA-N 403.399 -0.022 5 10 HBBE O=C(NC[C@@]12COCCN1C(=O)COC2)c1cccc([N+](=O)[O-])c1N1CCOCC1 1532289625 SNDMFORHGWYPKA-IBGZPJMESA-N 420.422 -0.211 5 10 HBBE CC(=O)N1CCN(c2ccc(C(=O)NC[C@]3(CO)COCCN3)cc2[N+](=O)[O-])CC1 1642784840 UCQZTWJVDYFVMK-IBGZPJMESA-N 421.454 -0.656 5 10 HBBE O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN2[C@@H](CNS2(=O)=O)C1 1654832028 ASRNIASLGFUTAC-ZDUSSCGKSA-N 411.440 -0.594 5 10 HBBE CN(CNc1ccc([N+](=O)[O-])cc1Br)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O 253579204 ZIJSBIRJGVZEGC-XVIXHAIJSA-N 422.232 -0.542 5 10 HBBE O=C(CN1CCN2CCOC[C@@]2(CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1654916107 VWUVIKCKXGWLHI-FQEVSTJZSA-N 419.482 -0.378 5 10 HBBE CS(=O)(=O)NC1CN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)C1 1453575342 KYSVGSNYMUZDGP-UHFFFAOYSA-N 404.351 -0.207 5 10 HBBE O=C(CNc1nc(NCC(=O)N2CCOCC2)c([N+](=O)[O-])s1)N1CCOCC1 540647899 ZIHXIPITRSQKRX-UHFFFAOYSA-N 414.444 -0.407 5 10 HBBE COC(OC)C(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1166117510 WCRMTRIYGDNNBK-UHFFFAOYSA-N 415.424 -0.098 5 10 HBBE C[C@H]1CN(c2ccc([N+](=O)[O-])c(N3CCN(CCO)[C@@H](C)C3)n2)CCN1CCO 433780968 DIGZLAUASWGAFI-HOTGVXAUSA-N 408.503 -0.005 5 10 HBBE O=C(NCCNC(=S)N[C@@H](CO)C(=O)O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 585858903 TVPIRPGSGHYFQD-JTQLQIEISA-N 401.357 -0.858 5 10 HBBE C[C@@H](CN1CCOCC1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 542182533 MROMPCHGNZOZOC-ZDUSSCGKSA-N 400.457 -0.042 5 10 HBBE CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])[C@H](CO)C1 1458519856 ZGCAVWJYBBWVID-ZDUSSCGKSA-N 400.457 -0.272 5 10 HBBE CN1CCN(CC2CN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)CC1 1468380947 NOSAMCFWDDZCMG-UHFFFAOYSA-N 401.423 -0.103 5 10 HBBE O=C1CO[C@@H](C2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)CN1 1891631032 VXLORVHZIUVYEB-CQSZACIVSA-N 416.390 -0.056 5 10 HBBE C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)CN1CCO 1626823466 WZJLBLTXMWXDDW-QWHCGFSZSA-N 400.457 -0.213 5 10 HBBE O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCN2[C@@H](CNS2(=O)=O)C1 1472031839 LEDWPAZSNSESLF-LBPRGKRZSA-N 411.440 -0.594 5 10 HBBE NC(=O)CC[C@H](NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 1866026060 DZXCNVJIWQUBKJ-LBPRGKRZSA-N 406.351 -0.194 5 10 HBBE O=C(CN1C[C@H]2C[C@H]1C[C@@H]2O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1620613871 SSWJURMLFBWHNQ-KMFMINBZSA-N 424.479 -0.117 5 10 HBBE Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1597490788 CKWGRRWNDCMLEX-UHFFFAOYSA-N 402.411 -0.009 5 10 HBBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NC1CC1)=C(N)O2 1865718708 NKEDLOPRZTVEOL-GFCCVEGCSA-N 413.390 -0.035 5 10 HBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1 540126281 NRUMGSYLEVNFKE-UHFFFAOYSA-N 402.415 -0.083 5 10 HBBE CCOC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 1866055677 BLUFHLAOSZMSOT-CYBMUJFWSA-N 407.427 -0.117 5 10 HBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1C[C@@H](CO)[C@H](CO)C1 1458518697 ZHEAZISKVGIHIX-STQMWFEESA-N 401.441 -0.347 5 10 HBBE COC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)OC)S(=O)(=O)CS1(=O)=O 247850335 RDQJDVYEECPAET-ZSBIGDGJSA-N 421.405 -0.438 5 10 HBBE O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1632157634 WYXHLJKDLLYAKH-ZIAGYGMSSA-N 401.416 -0.110 5 10 HBBE COc1cc(C(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@@H]2O)c([N+](=O)[O-])cc1OC 1866340827 OJEXCMXPCBGXLA-MNOVXSKESA-N 418.380 -0.703 5 10 HBBE Cc1nnc(N2CCN(C(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2)n1C 1868126752 YGTZPTAFKJHYBO-UHFFFAOYSA-N 413.394 -0.023 5 10 HBBE COCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc([N+](=O)[O-])c1 14640150 WZZQTJDUEOPAHR-ZDUSSCGKSA-N 424.435 -0.010 5 10 HBBE CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611641371 BCPNPPCFRMRLNV-IPYPFGDCSA-N 412.468 -0.071 5 10 HBBE CC(=O)NCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1861794671 RJXPNYGJYZPBAD-WFASDCNBSA-N 423.382 -0.361 5 10 HBBE CCc1ccc(N=c2[nH]c(N(C)CCO)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871621290 MNTAKPHNBYNQMV-UHFFFAOYSA-N 418.458 -0.094 5 10 HBBE Cn1cc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O 505859387 VERVMASOHGIZFY-UHFFFAOYSA-N 423.451 -0.501 5 10 HBBE CN1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1463598574 JKXCVIZRIPQDBP-DYVFJYSZSA-N 412.468 -0.117 5 10 HBBE CS(=O)(=O)N1CCN(CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 1642136020 MVAXLEDNPWDBQN-UHFFFAOYSA-N 412.472 -0.784 5 10 HBBE O=[N+]([O-])c1cc(N=c2[nH]c(N(CCO)CCO)nc(=NCCO)[nH]2)ccc1Cl 1871578033 MDVQFYZXEWUYOE-UHFFFAOYSA-N 413.822 -0.784 5 10 HBBE CCn1cc(S(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c([N+](=O)[O-])n1 548976671 DYSSLMRVOPJLPI-UHFFFAOYSA-N 407.474 0.000 5 10 HBBE O=C(NCCCNC(=O)N1CCN(CCO)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 585911676 YCTUGTGPFHKQOH-UHFFFAOYSA-N 424.414 -0.058 5 10 HBBE C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1440716124 YPNVSYPBXPTYMA-MLGOLLRUSA-N 411.484 -0.085 5 10 HBBE O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 444036789 YURJPXTWZOBYFI-LSDHHAIUSA-N 419.481 -0.488 5 10 HBBE O=C(NCCNC(=O)N1CCN(CCO)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 585880986 LMHJSAHNGRBPDO-UHFFFAOYSA-N 410.387 -0.448 5 10 HBBE CN1CCN(C)[C@@H](CNc2nc(NC[C@@H]3CN(C)CCN3C)c([N+](=O)[O-])s2)C1 570244994 RQBJAVWCJMFMEO-KGLIPLIRSA-N 412.564 0.367 5 10 HBBE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCNS(=O)(=O)c1cn(C)cn1 585230759 IVVCUHKEMVOVBU-UHFFFAOYSA-N 403.442 -0.106 5 10 HBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCCN1C(=O)CSC1=O 1872631809 ALHDQEJKTZWECN-UHFFFAOYSA-N 402.410 -0.315 5 10 HBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@H](O)CN1CCOCC1 541338813 MDHDOMUFYXJFLA-ZDUSSCGKSA-N 417.440 -0.305 5 10 HBBE C[C@@H](C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(C)CC1 1627402785 ZFYRNLDTEQCGOM-AWEZNQCLSA-N 413.500 -0.033 5 10 HBBE O=[N+]([O-])c1ncccc1CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1642227239 PULREERUFUWKNK-CYBMUJFWSA-N 404.470 -0.376 5 10 HBBE CN(CCO)c1nc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(C)n1 1870030485 LQIHSPGVRSHDTF-UHFFFAOYSA-N 403.355 -0.614 5 10 HBBE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])C2 1633011496 BALFEFXMQAEFBJ-UHFFFAOYSA-N 406.374 -0.235 5 10 HBBE NS(=O)(=O)C[C@@H]1CCCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 733998492 VNVCSHKRCNHCAG-INIZCTEOSA-N 411.484 -0.004 5 10 HBBE COC(=O)[C@@](C)(NC(=O)CN(C)S(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 1642252096 DYPFSYSCLSBINB-HNNXBMFYSA-N 402.429 -0.163 5 10 HBBE O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN2CCOC[C@@H]2C1 544669389 YLNHSHYFFPXRNU-ZDUSSCGKSA-N 413.456 -0.401 5 10 HBBE O=C(CN1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1)N1CCOCC1 915281851 YEMHNCPAOKDEGC-UHFFFAOYSA-N 416.438 -0.053 5 10 HBBE O=C(O)CNC(=O)CNC(=O)CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 526916642 NUWNXYHYFGJKLP-UHFFFAOYSA-N 411.327 -0.670 5 10 HBBE CN(C)C(=O)CCN1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 532128492 VHHBOKYAGVKRTJ-UHFFFAOYSA-N 419.438 -0.057 5 10 HBBE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 729248958 KWZIDZMHRMEZKA-INIZCTEOSA-N 419.438 -0.102 5 10 HBBE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 748487825 ZFXRRLPQWDLTMJ-AWEZNQCLSA-N 410.427 -0.227 5 10 HBBE C[C@H](O)[C@@H](NC(=S)NCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O 585858926 UCSRWWATGDRSMJ-WRWORJQWSA-N 415.384 -0.469 5 10 HBBE O=C(NCC(=O)N1CCN2CCOC[C@]2(CO)C1)c1c(Cl)cccc1[N+](=O)[O-] 1472062559 MEBMRRROPFZYEW-QGZVFWFLSA-N 412.830 -0.117 5 10 HBBE O=C1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C2(CCC2)N1 570384937 CKJXZYWQCSMINI-CQSZACIVSA-N 416.438 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SJBGLZQDEYKNON-INIZCTEOSA-N 419.438 -0.441 5 10 HBBE COc1ccc(N=c2[nH]c(=NCCN(C)C)[nH]c(=NCCN(C)C)[nH]2)cc1[N+](=O)[O-] 1871464571 IWSOMARXANNKSB-UHFFFAOYSA-N 419.490 -0.255 5 10 HBBE CN(C)S(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 544206354 VDPSZBRPIQOUFD-UHFFFAOYSA-N 420.469 -0.681 5 10 HBBE O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCN2[C@@H](CNS2(=O)=O)C1 1184357322 PTCSFADMINHXDV-ZETCQYMHSA-N 406.218 -0.273 5 10 HBBE CNS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1697020379 GIUTUBWEANJKJN-UHFFFAOYSA-N 410.460 -0.234 5 10 HBBE O=CNCCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCCNC=O)C1=O 1863602488 WTWTYVJBJRXBOB-UHFFFAOYSA-N 403.395 -0.464 5 10 HBBE O=C(CCN1C(=O)CCC1=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 21202956 BSZGXJBITDSVTH-UHFFFAOYSA-N 424.435 -0.033 5 10 HBBE Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 524051526 RRKHUUDMAAACKI-CQSZACIVSA-N 424.479 -0.036 5 10 HBBE O=C(NC[C@H]1COCO1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1565250455 FVBNYBFZTXRSAL-ZDUSSCGKSA-N 400.413 -0.016 5 10 HBBE Cn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n(C)c1=O 1628340597 QKQDUVKLFMNVAD-UHFFFAOYSA-N 409.424 -0.221 5 10 HBBE CCOc1cc(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)c([N+](=O)[O-])cc1OC 1472030956 BHRWATBEBLTMTG-SNVBAGLBSA-N 400.413 -0.024 5 10 HBBE CC(C)(C)OC(=O)N1C[C@H](N=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])[C@@H](S(C)(=O)=O)C1 2192663125 LDCBOOXPJJFJCX-WPRPVWTQSA-N 402.433 -0.336 5 10 HBBE NC(=O)CC[C@@H](NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1865770130 LGCBZUBBSMBTNK-SNVBAGLBSA-N 406.351 -0.194 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(N3CC(NC4COC4)C3)c([N+](=O)[O-])c2)CC1 1307219725 RPZKUTBQUYLUDB-UHFFFAOYSA-N 411.484 -0.292 5 10 HBBE O=C(CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)NCCN1CCOCC1 1443334775 HQQBECSSFJSIDI-UHFFFAOYSA-N 402.411 -0.041 5 10 HBBE CN1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1463598578 JKXCVIZRIPQDBP-GUYCJALGSA-N 412.468 -0.117 5 10 HBBE CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 1527817891 SFDFITCGDWYISC-UHFFFAOYSA-N 423.455 -0.201 5 10 HBBE CN(C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)C(=O)c1cc2c(ccc3ccccc32)oc1=O 1866408536 CRUKSHQRHLTLER-NBMJBFSESA-N 417.414 -0.546 5 10 HBBE COc1ccc(C(=O)NCC(=O)NCCN2CCC3(C2)OCCO3)cc1[N+](=O)[O-] 1470335809 OVUASWDPPYAWPN-UHFFFAOYSA-N 408.411 -0.102 5 10 HBBE O=C(N[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1c[nH]c2c(ccc3ccccc32)c1=O 1866076945 XEWLBRATFKSMQA-CACPTPCDSA-N 400.387 -0.789 5 10 HBBE O=C(N=c1cc[nH]cc1[N+](=O)[O-])N1CCN(S(=O)(=O)N2CCOCC2)CC1 540978408 DMPWWWSKDXXYRI-UHFFFAOYSA-N 400.417 -0.862 5 10 HBBE COc1cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-] 510721837 OFLMYDWINRYQNB-UHFFFAOYSA-N 414.440 -0.062 5 10 HBBE NC(=O)CC[C@H](NC(=S)NCCNC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 585859720 WMDCPRRXHUYMTC-NSHDSACASA-N 411.440 -0.564 5 10 HBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 1628178151 COEKEDQGSRKKRX-UHFFFAOYSA-N 421.502 -0.203 5 10 HBBE CN1CC[C@@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCNC(=O)C2)C1 1517413982 PPXPPPZCKSVKAI-SFHVURJKSA-N 401.427 -0.144 5 10 HBBE Cn1nc(N2CC(O)C2)nc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870001223 UPZCVKSKPVKERD-UHFFFAOYSA-N 401.339 -0.861 5 10 HBBE COc1ccc([N+](=O)[O-])c(C(=O)NCCNC(=S)N2CCN(CCO)CC2)c1 585857002 YWHHJBRSKLMIIA-UHFFFAOYSA-N 411.484 -0.182 5 10 HBBE COc1ccc([N+](=O)[O-])c(C(=O)NCCNC(=S)N[C@H](C(=O)O)[C@@H](C)O)c1 585862329 WQFXZCBKHZTJDY-PELKAZGASA-N 400.413 -0.369 5 10 HBBE CN(C)C(=O)CCN1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 473429775 PGXJQVONGJJUOS-UHFFFAOYSA-N 417.422 -0.187 5 10 HBBE C[C@@H]1CN2CCN1C[C@@H]2C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1452206552 SQXRJVZSBVKOLV-UKRRQHHQSA-N 411.484 -0.280 5 10 HBBE NC(=O)C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCOCC1 1861127967 XXNABULYFFGOFB-WUTVXBCWSA-N 419.438 -0.583 5 10 HBBE O=C(Nc1nc(N2CC(O)C2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] 1870003430 LFGQQCBIHUCOGB-SNVBAGLBSA-N 422.423 -0.021 5 10 HBBE O=C(CN1C[C@@H]2C[C@]2(CO)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 782611401 CZWLQQNSENLKHM-KBXCAEBGSA-N 424.479 -0.258 5 10 HBBE CN(CCO)c1nc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n(C)n1 1870031175 VHMDOVVGMHBDDK-UHFFFAOYSA-N 403.355 -0.614 5 10 HBBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCCO)[nH]2)c1 1871520629 JFHCNTTXZMTBGN-UHFFFAOYSA-N 418.458 -0.724 5 10 HBBE O=C(Cn1cccnc1=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 31781346 BFPPGZWVXHWXSV-UHFFFAOYSA-N 407.408 -0.315 5 10 HBBE CNC(=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 475401994 RWKGDWKBYWWXIG-UHFFFAOYSA-N 400.413 -0.428 5 10 HBBE O=C(COc1nonc1C(=O)N1CCN(CCO)CC1)Nc1cccc([N+](=O)[O-])c1 1872681143 RLVRIXBXWAOBPZ-UHFFFAOYSA-N 420.382 -0.255 5 10 HBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CCC[C@@H]2O)CC1 1627471256 IYJNWZLAGBOHKN-HIFRSBDPSA-N 412.468 -0.069 5 10 HBBE C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCN(CCO)[C@H](C)C3)n2)CCN1CCO 433780969 DIGZLAUASWGAFI-HZPDHXFCSA-N 408.503 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YECRFUFRRJXNIW-UHFFFAOYSA-N 414.488 -0.032 5 10 HBBE C[C@H]1CC(=O)NN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1559893829 GOACDZUXQDQQET-LBPRGKRZSA-N 411.440 -0.447 5 10 HBBE CN(C)S(=O)(=O)N1CC(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 1595918525 CROYYPHCAZRPNA-UHFFFAOYSA-N 413.456 -0.348 5 10 HBBE O=[N+]([O-])c1ccc(Nc2nc(N(CCO)CCO)nc(N(CCO)CCO)n2)cc1 1871731735 UWIPESMNZWGFMX-UHFFFAOYSA-N 423.430 -0.895 5 10 HBBE C[C@@H](O)CN1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 1639230996 VZZWAVLMSYHHQZ-CHWSQXEVSA-N 400.457 -0.213 5 10 HBBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCOCC3)nc(=NCCOCCO)[nH]2)c1 1871520416 HKEBCOQHQLGNGU-UHFFFAOYSA-N 405.415 -0.375 5 10 HBBE CC(=O)N[C@H]1[C@H](Oc2ccc3nc4ccc(=O)cc-4oc3c2)O[C@H](CO)[C@H](O)[C@@H]1O 71792259 JIMDDOHARTZNGH-OUUBHVDSSA-N 416.386 -0.385 5 10 HBBE CN(C)CCNS(=O)(=O)c1ccc(N2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 541624900 WCFYDDDFWGFRAK-AWEZNQCLSA-N 413.500 -0.045 5 10 HBBE Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 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NC(=O)CC[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCNC=O 2330594208 BWKUFGWTEXHMBU-HNNXBMFYSA-N 405.411 -0.389 5 10 HBBE COc1ccc(C(=O)NCCN2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)cc1 518414016 VTRIZJAFYJHLSC-UHFFFAOYSA-N 417.426 -0.231 5 10 HBBE CN(C)C(=O)COC1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1630623908 BGXAEMONYFCODW-UHFFFAOYSA-N 400.413 -0.811 5 10 HBBE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 489700197 ICWMKJWMLMWCLV-UHFFFAOYSA-N 403.465 -0.303 5 10 HBBE COc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] 31248194 MJFKEIAYPCIHQF-UHFFFAOYSA-N 414.440 -0.062 5 10 HBBE CN1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O 546026245 QMXFDIRTSOJAFE-AWEZNQCLSA-N 411.440 -0.159 5 10 HBBE CNC(=O)NC[C@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CCO1 1652056154 XZAMXBUFCPOUOF-NSHDSACASA-N 401.445 -0.021 5 10 HBBE CN(C)S(=O)(=O)c1ccc(N2CCN3[C@@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1458631621 CRYDVZQKBCEDDV-JTQLQIEISA-N 405.458 -0.816 5 10 HBBE CNC(=O)NC[C@@H]1COCCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1560091576 MPVMJMGJHQVNJF-QGZVFWFLSA-N 420.470 -0.127 5 10 HBBE C[C@@H](CN1CCOCC1)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 541243818 SOFSDPSDPJUSBT-ZDUSSCGKSA-N 400.457 -0.042 5 10 HBBE CN(CNc1ccc([N+](=O)[O-])cc1Br)[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 59378980 ZIJSBIRJGVZEGC-MRTXSQPYSA-N 422.232 -0.542 5 10 HBBE CNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 1623951884 DNTIUTPLQMUNOL-UHFFFAOYSA-N 400.413 -0.022 5 10 HBBE O=C(CN1CCN2[C@@H](CNS2(=O)=O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1648412996 RUIMLXIYVONCRG-INIZCTEOSA-N 424.483 -0.922 5 10 HBBE COc1ccc([N+](=O)[O-])c(C(=O)NCCNC(=S)N[C@@H](CC(=O)O)C(=O)O)c1 585862045 VKPNPMXJGSQDLH-JTQLQIEISA-N 414.396 -0.275 5 10 HBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCO[C@H](CN2CCOCC2)C1 1642663572 YRRGCKXHRSRUSR-CYBMUJFWSA-N 418.406 -0.250 5 10 HBBE O=c1nc(NCc2ccc([N+](=O)[O-])cc2)[nH]c2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 146198895 NZLFBFNDUSWERV-XNIJJKJLSA-N 418.366 -0.749 5 10 HBBE O=C(CN1CC[C@@]2(O)C[C@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1196142650 PPKDMESOTLWQCW-KBXCAEBGSA-N 424.479 -0.116 5 10 HBBE Cn1[nH]c(=NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)nc1[N+](=O)[O-] 2371132695 FNBJMDJNQRIZNU-JTQLQIEISA-N 404.449 -0.019 5 10 HBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C(=O)CN(C)C)CC1 564369707 KICFCNFJEMPMML-UHFFFAOYSA-N 414.440 -0.224 5 10 HBBE COc1cc(C(=O)NCCNC(=S)N[C@H](C(=O)O)[C@@H](C)O)ccc1[N+](=O)[O-] 585858387 RHTPTPDXWGYLGH-PELKAZGASA-N 400.413 -0.369 5 10 HBBE O=C(CN1CC=C[C@H]1CO)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1620532457 LODOKATUELLEDF-HNNXBMFYSA-N 410.452 -0.340 5 10 HBBE Cn1c(C(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cnc1[N+](=O)[O-] 1890053895 UVHYPLPFHUHUHW-UHFFFAOYSA-N 402.415 -0.083 5 10 HBBE O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1COCCN1CC(F)F 489540876 QXFYAFXZKTZVFC-CYBMUJFWSA-N 422.410 -0.045 5 10 HBBE NS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1I 2157543933 DDPBTVWDVIIIJL-UHFFFAOYSA-N 414.181 -0.278 5 10 HBBE CC(=O)NCCN1C(=O)C(NCCCNC=O)=C(c2ccccc2[N+](=O)[O-])C1=O 1863591475 FMKVCGSSCDIUIX-UHFFFAOYSA-N 403.395 -0.464 5 10 HBBE O=[N+]([O-])c1ccc(N2CCCN(CCO)CC2)nc1N1CCCN(CCO)CC1 434080989 OIULBIZANCBWSR-UHFFFAOYSA-N 408.503 -0.001 5 10 HBBE O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1858424491 RECUNYAQZXWDAN-NWDGAFQWSA-N 417.465 -0.091 5 10 HBBE COc1ccc(N=c2[nH]c(N3CCN(C)CC3)nc(=NC[C@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871707546 XSBCEVIJTOKMPN-LBPRGKRZSA-N 418.458 -0.080 5 10 HBBE C[C@H]1CN(CCO)CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1142103745 TVHPGOHBIRPCHB-ZDUSSCGKSA-N 400.457 -0.212 5 10 HBBE Cc1c(C(=O)N2C[C@H](O)C[C@H]2C(=O)NCCN2CCOCC2)cccc1[N+](=O)[O-] 1861012655 LKRVVPXUHWZOQI-PBHICJAKSA-N 406.439 -0.073 5 10 HBBE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 748918396 XJECDVWRARPCDZ-OAHLLOKOSA-N 410.427 -0.227 5 10 HBBE O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N1CCN2CCOC[C@]2(CO)C1 1456231359 CCVNCMLUBQZLBQ-SCLBCKFNSA-N 408.411 -0.302 5 10 HBBE CN(CNc1ccc([N+](=O)[O-])cc1Br)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253579203 ZIJSBIRJGVZEGC-XHJNMGKDSA-N 422.232 -0.542 5 10 HBBE O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCCN1CCC2(C1)OCCO2 1470337969 DYWTUXOLNQEWRG-UHFFFAOYSA-N 407.427 -0.041 5 10 HBBE COc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CC(=O)N3)CC2)cc1[N+](=O)[O-] 1586927875 GGRGAKZKTRTIDX-NSHDSACASA-N 412.424 -0.285 5 10 HBBE O=C(NC[C@]12COCCN1C(=O)COC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1687346100 BSHWXXDTMNMUQB-QGZVFWFLSA-N 408.415 -0.234 5 10 HBBE CS(=O)(=O)N1CCN(c2ccc(C(=O)NCCCNC=O)cc2[N+](=O)[O-])CC1 1860882651 ZDJSLYWKNJLORK-UHFFFAOYSA-N 413.456 -0.458 5 10 HBBE CS(=O)(=O)N[C@H]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 735077620 ADCHYGKKXQKGSS-AWEZNQCLSA-N 411.484 -0.133 5 10 HBBE C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 1144209423 GMDMYJJMOSQACR-AWEZNQCLSA-N 413.500 -0.127 5 10 HBBE O=C(C1CS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1290058114 IBOCEGPDFPHZAN-UHFFFAOYSA-N 403.438 -0.528 5 10 HBBE COc1ccc(S(=O)(=O)N2CCO[C@H](C(=O)N3CCOCC3)C2)c([N+](=O)[O-])c1 1892128206 HIKLRKZIGWIOPI-AWEZNQCLSA-N 415.424 -0.148 5 10 HBBE CN=c1[nH]c(O[C@H]2CS(=O)(=O)C[C@H]2NC(=O)OC(C)(C)C)ncc1[N+](=O)[O-] 2184566564 AIWNGTOKLGEWCR-SCZZXKLOSA-N 403.417 -0.083 5 10 HBBE CC(=O)N1CSC[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 735015696 TYZKRQXUVAQJEU-GFCCVEGCSA-N 402.454 -0.089 5 10 HBBE COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CO)NC(=O)C[C@H]1CCS(=O)(=O)C1 1866585197 DRZXQDNAPXHPIN-MFKMUULPSA-N 415.424 -0.156 5 10 HBBE CC[N+]1(C)CCC(N(CCS(=O)(=O)N(C)C)C(=O)CN2CCOCC2)CC1 1853524929 WHLHEZRTELIHJY-UHFFFAOYSA-N 405.585 -0.333 5 10 HBBE CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])CC2)CC1 540408450 BXWYTPUHSBIDQR-UHFFFAOYSA-N 413.456 -0.450 5 10 HBBE Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n(C)c1=O 1135348770 YAQCYHRSQUVCFL-UHFFFAOYSA-N 409.424 -0.221 5 10 HBBE O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 436937544 FQRXSFXPULVYLM-UHFFFAOYSA-N 400.413 -0.365 5 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O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 444036786 YURJPXTWZOBYFI-CABCVRRESA-N 419.481 -0.488 5 10 HBBE COC(=O)CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H](C)C(=O)OC 1866340100 JDEDRUSEVHXODN-SECBINFHSA-N 407.335 -0.246 5 10 HBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1C[C@@H](CO)[C@@H](CO)C1 1651351236 ZHEAZISKVGIHIX-BETUJISGSA-N 401.441 -0.347 5 10 HBBE O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCN2[C@H](CNS2(=O)=O)C1 1651447104 XBGOJFHICKIMOU-MRVPVSSYSA-N 412.396 -0.070 5 10 HBBE NS(=O)(=O)c1cccc(N2CCN(CC(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 498853982 ZHHHDTLDUGNQFP-UHFFFAOYSA-N 413.456 -0.777 5 10 HBBE O=C(CN1C[C@H]2C[C@@]2(CO)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 782612338 AHRAMNKUMKLHAQ-KDOFPFPSSA-N 424.479 -0.258 5 10 HBBE Nc1c(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc(Br)cc1[N+](=O)[O-] 1635665495 GRBWQRYIRMSVJD-MRVPVSSYSA-N 420.245 -0.086 5 10 HBBE Cn1ccnc1C(=O)c1ccc(N2CCN3[C@@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1458632324 JXPVTHSQPBMLGA-LBPRGKRZSA-N 406.424 -0.102 5 10 HBBE O=C(CN1CCOCC1)N1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 443681739 FBDLGSFCHFSTBU-UHFFFAOYSA-N 412.468 -0.099 5 10 HBBE O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC2(C[C@H](O)CNC2=O)C1 1644588923 KBDVOADPHXDYTK-WDEREUQCSA-N 408.436 -0.030 5 10 HBBE CN1CCN(C)[C@@H](CNc2nc(NC[C@H]3CN(C)CCN3C)c([N+](=O)[O-])s2)C1 570244986 RQBJAVWCJMFMEO-KBPBESRZSA-N 412.564 0.367 5 10 HBBE C[C@H]1CC(=O)NN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1307826657 JTRZNCNJOZTARR-LBPRGKRZSA-N 411.440 -0.447 5 10 HBBE CS(=O)(=O)N1CC(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 1141676486 BKQLZGQFSUVLAM-UHFFFAOYSA-N 402.454 -0.168 5 10 HBBE CN(C)S(=O)(=O)c1ccc(N2CCN3[C@H](CNS3(=O)=O)C2)c([N+](=O)[O-])c1 1458631622 CRYDVZQKBCEDDV-SNVBAGLBSA-N 405.458 -0.816 5 10 HBBE NCCN1CCN(C(=O)NCCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 217306914 DKAIBFIDDAAELR-UHFFFAOYSA-N 404.427 -0.133 5 10 HBBE CN(CCCO)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 440948314 LTWFHSFKYPUUJN-UHFFFAOYSA-N 400.457 -0.258 5 10 HBBE COC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1168877744 WIOJIEDAZQUHTM-UHFFFAOYSA-N 400.413 -0.810 5 10 HBBE O=C(CCN1C(=O)CCNC1=S)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1633694095 NGPWGWIVXWGHBF-UHFFFAOYSA-N 414.465 -0.018 5 10 HBBE COC(=O)CN(C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H](C)C(=O)OC 1866341325 IJUINUCJYNXELJ-SECBINFHSA-N 407.335 -0.246 5 10 HBBE CCN(CCO)c1nc(=NC[C@H](C)O)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707179 QEBUUPKDMBGXFC-NSHDSACASA-N 407.431 -0.013 5 10 HBBE Cc1cc(=O)c(C(=O)N[C@H](CO)CN2CCOCC2)nn1-c1ccccc1[N+](=O)[O-] 619871139 XFIVBAKNVAOBLF-AWEZNQCLSA-N 417.422 -0.128 5 10 HBBE O=C(Nc1nc(N2CC(O)C2)nn1[C@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 1870003918 QVHPRDCJGNMFAT-LBPRGKRZSA-N 422.423 -0.021 5 10 HBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCCN2CCO 1456855459 NBSCEEKWAVKAJH-UONOGXRCSA-N 412.468 -0.069 5 10 HBBE CN(CC(=O)N1CCOCC1)C(=O)Cn1cc(Br)cc([N+](=O)[O-])c1=O 502137602 IATNCHPQHTUZAI-UHFFFAOYSA-N 417.216 -0.164 5 10 HBBE NC(=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCN1CCOCC1 1861030535 VSUDYGDCVDLHSJ-HNNXBMFYSA-N 407.427 -0.593 5 10 HBBE CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865722484 SLLCCZWUZMWYPK-LLVKDONJSA-N 401.379 -0.177 5 10 HBBE CN(CCO)CCN(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 1655669394 FONAPNFSOLVRJH-UHFFFAOYSA-N 402.473 -0.024 5 10 HBBE C[C@H](O)CNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCN2CCOCC2)C1=O 1863597725 PIFZAVORHLIWIY-ZDUSSCGKSA-N 404.423 -0.023 5 10 HBBE O=C1NCCn2c(CNC(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)nnc21 1638034359 XFUQREHHOJNFRK-UHFFFAOYSA-N 400.399 -0.039 5 10 HBBE CNS(=O)(=O)CCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 609535883 IJCSTCNEZLJTOG-UHFFFAOYSA-N 406.486 -0.160 5 10 HBBE CN(C)C[C@]1(O)CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1558044558 WIKOAHSKKOVWAN-MRXNPFEDSA-N 400.457 -0.260 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(N3CCC(CO)(CO)C3)c([N+](=O)[O-])c2)CC1 1612606822 HMPVGJFOXPIDPN-UHFFFAOYSA-N 414.484 -0.288 5 10 HBBE C[C@H](O)CN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520091 HOJMOMCFEWPEKL-NSHDSACASA-N 416.442 -0.138 5 10 HBBE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCC(CO)(CO)C1 1187024910 JARAYUVXVDUYBT-UHFFFAOYSA-N 401.441 -0.203 5 10 HBBE CC(=O)NCCNC(=O)[C@H](CCC(N)=O)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1861124972 GCCWRXFOYOKULW-ULYATVDSSA-N 405.411 -0.389 5 10 HBBE Cn1cc(C(=O)NC2CCN(c3cn(C)c(=O)n(C)c3=O)CC2)cc([N+](=O)[O-])c1=O 1891133603 WBRBOAYDCHTQIV-UHFFFAOYSA-N 418.410 -0.910 5 10 HBBE O=C(CN1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1)N1CCOCC1 27221391 FDZRKWQTFJRITI-UHFFFAOYSA-N 417.466 -0.040 5 10 HBBE C[C@H](CN1CCOCC1)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 543098539 QLWGTFPTINBHKT-CYBMUJFWSA-N 400.457 -0.042 5 10 HBBE O=C(CCn1cc([N+](=O)[O-])cn1)OCCN1CCN(S(=O)(=O)C2CC2)CC1 753939489 BTEYREFDDPNYSK-UHFFFAOYSA-N 401.445 -0.166 5 10 HBBE CN1CCN(C)CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1558543954 OZDIBZHGWZUDND-UHFFFAOYSA-N 413.500 -0.079 5 10 HBBE C[C@@H](O)CNC(=O)Cc1ccc(NC(=O)CCCNS(C)(=O)=O)c([N+](=O)[O-])c1 1860845507 IKSCPYDQVCHFKY-LLVKDONJSA-N 416.456 -0.098 5 10 HBBE O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1626574402 SPOUORLSILRQGJ-UKRRQHHQSA-N 401.416 -0.110 5 10 HBBE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 1538932226 ZBOPIVQEDQVUKI-QMTHXVAHSA-N 422.369 -0.071 5 10 HBBE CC(=O)N1CCN(c2nc(=NC[C@H](C)O)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871520902 SCFXIMMTWUZPNT-LBPRGKRZSA-N 416.442 -0.172 5 10 HBBE O=C(CN1C[C@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 494714636 XRTQVTJJICLOHZ-INIZCTEOSA-N 424.479 -0.116 5 10 HBBE Cc1nc(N2CCN(CCO)[C@H](C)C2)nc(N2CCN(CCO)[C@@H](C)C2)c1[N+](=O)[O-] 490043301 PULLDHRPRDMQBE-LSDHHAIUSA-N 423.518 -0.301 5 10 HBBE C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])CN1CCN(C)CC1 1144209424 GMDMYJJMOSQACR-CQSZACIVSA-N 413.500 -0.127 5 10 HBBE CN(C)S(=O)(=O)N1CC(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 1684308283 LOJGCLGKLGBTSO-UHFFFAOYSA-N 412.472 -0.083 5 10 HBBE CC(=O)N1CCN(c2ccc(C(=O)N3CCO[C@@H](CC(N)=O)C3)cc2[N+](=O)[O-])CC1 1454469249 LMDKLBNLWSCDQJ-HNNXBMFYSA-N 419.438 -0.020 5 10 HBBE O=C(CN1CCN2CCOC[C@]2(CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1654916108 VWUVIKCKXGWLHI-HXUWFJFHSA-N 419.482 -0.378 5 10 HBBE Cc1c(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCCNC=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1861794687 RNDCWSNNCSOWIO-IUODEOHRSA-N 423.382 -0.361 5 10 HBBE Cn1cc(C[C@@H](O)C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 468576708 KLRIUUVXHBEWPA-MRXNPFEDSA-N 423.451 -0.235 5 10 HBBE CN(C)C[C@]1(O)CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 1568521998 QHVGMKNYWHGKEU-MRXNPFEDSA-N 400.457 -0.212 5 10 HBBE NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCCCNC=O 1861027569 CVKKAUFIQTZALM-GFCCVEGCSA-N 413.818 -0.136 5 10 HBBE O=C(CN1C[C@@H]2CNC[C@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 603909549 CJBKKZGTHVPIJM-GJZGRUSLSA-N 423.495 -0.421 5 10 HBBE CN(C)S(=O)(=O)N1CC(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 1233943857 GXORDRZHNQHYHU-UHFFFAOYSA-N 401.449 -0.372 5 10 HBBE O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 444036787 YURJPXTWZOBYFI-GJZGRUSLSA-N 419.481 -0.488 5 10 HBBE COC(=O)[C@]1(N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)CCOC1 1557558673 IPYGZKUUASDBGY-IBGZPJMESA-N 420.422 -0.199 5 10 HBBE O=C1C(NCCN2CCOCC2)=C(c2ccccc2[N+](=O)[O-])C(=O)N1CCCO 1863592996 HFBYPMOUGDVPRB-UHFFFAOYSA-N 404.423 -0.021 5 10 HBBE O=C(C1=NN(CCO)C(=O)CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1630068843 DYJIIQHAPPRWGE-UHFFFAOYSA-N 409.424 -0.089 5 10 HBBE O=C(N[C@H](CO)C(=O)NCCC1OCCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867833008 IAKOUQUQOPXKCK-CYBMUJFWSA-N 412.355 -0.137 5 10 HBBE COc1cc(C(=O)NCCNC(=S)N2CCN(CCO)CC2)ccc1[N+](=O)[O-] 585857372 UUBZMAUYMCNPPD-UHFFFAOYSA-N 411.484 -0.182 5 10 HBBE CC(=O)NCCNC(=O)[C@H](CCC(N)=O)NC(=O)C=Cc1ccccc1[N+](=O)[O-] 2330669683 ISMNODSDHZRJHW-AWEZNQCLSA-N 405.411 -0.389 5 10 HBBE O=C(NCCNC(=S)N[C@H](CO)C(=O)O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 585858912 TVPIRPGSGHYFQD-SNVBAGLBSA-N 401.357 -0.858 5 10 HBBE CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611641373 BCPNPPCFRMRLNV-YDHLFZDLSA-N 412.468 -0.071 5 10 HBBE CN(C)S(=O)(=O)CCNC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1873715152 OKWOWZFAUVJYQF-UHFFFAOYSA-N 412.424 -0.021 5 10 HBBE CCN(CCO)c1nc(=NCCOCCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871645815 TVOWEPQGXWNFFC-UHFFFAOYSA-N 421.458 -0.085 5 10 HBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(c1)COB2O 1452204020 LIPUIVGCTAXHMO-UHFFFAOYSA-N 419.224 -0.137 5 10 HBBE CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO[S@](=O)O)[C@H](O)[C@@H]1O 616582034 JFJMWZOIBBVKNU-MBJXGIAVSA-N 406.369 -0.922 5 10 HBBE COCC(=O)N(C)CC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1299862896 AMQCJSAOKHPIPP-UHFFFAOYSA-N 402.429 -0.564 5 10 HBBE CN(C)CC(=O)N1CCO[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 116883589 FTXWAHVZNJXVRL-NSHDSACASA-N 401.445 -0.557 5 10 HBBE Cc1cc(C(=O)NCC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)ccc1[N+](=O)[O-] 1159850778 OGEXQMRPTGNCJP-HNAYVOBHSA-N 406.439 -0.025 5 10 HBBE CN(CCO)CCN(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 1163722042 RMDRIFLBCNATBV-UHFFFAOYSA-N 402.473 -0.024 5 10 HBBE CNC(=O)CN1CCCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 1644582576 NQISEMUJVHAVPV-UHFFFAOYSA-N 418.498 -0.003 5 10 HBBE Cn1cc(C[C@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 468578080 NLMTXCNPGLIMFO-INIZCTEOSA-N 423.451 -0.235 5 10 HBBE O=C(CC1CS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1530460256 VRJJROGZWPFMII-UHFFFAOYSA-N 417.465 -0.138 5 10 HBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@H](O)C2)C1 1635983186 ZOBYIQLSHKQBBE-GJZGRUSLSA-N 412.468 -0.069 5 10 HBBE O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 16735320 ZRRATXFAXXLENA-GFCCVEGCSA-N 417.465 -0.138 5 10 HBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(CC(=O)N(C)C)CC1 612117323 AQUDORPNRZUGEI-UHFFFAOYSA-N 414.440 -0.224 5 10 HBBE O=C1NC(=O)[C@@]2(CCCN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)N1 789379441 PQVUDHKAZDOHOT-IBGZPJMESA-N 416.438 -0.083 5 10 HBBE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1584366731 XBEHJCNGXVOZRS-OAHLLOKOSA-N 404.427 -0.235 5 10 HBBE O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2CCOC[C@H]2C1 542713205 RVWRZWZFKLWRSR-CQSZACIVSA-N 413.456 -0.401 5 10 HBBE C[C@@H]1CN2CCN1C[C@H]2C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1440716125 YPNVSYPBXPTYMA-WBMJQRKESA-N 411.484 -0.085 5 10 HBBE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1536791294 MQKGSVMCJNQZJN-CYBMUJFWSA-N 401.445 -0.247 5 10 HBBE O=C(N[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc2c(ccc3ccccc32)oc1=O 1866289970 VLEVKBNUOSMAOB-JZBZHOAESA-N 401.371 -0.524 5 10 HBBE COc1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)N3CCOCC3)C2)c([N+](=O)[O-])c1 1892128207 HIKLRKZIGWIOPI-CQSZACIVSA-N 415.424 -0.148 5 10 HBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CCN3CCCS3(=O)=O)CC2)cc1 533315535 AQZXRFMVVLKCJE-UHFFFAOYSA-N 418.497 -0.063 5 10 HBBE COc1ccc2nnc(CNC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2n1 1891768239 FHXGPWAUTLMORH-UHFFFAOYSA-N 411.334 -0.047 5 10 HBBE NS(=O)(=O)c1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] 589104424 WFHBXNUGQKBXIE-UHFFFAOYSA-N 413.456 -0.777 5 10 HBBE Cc1c(N=c2[nH]c(N3CCC(C(N)=O)CC3)nc(=NCCO)[nH]2)cccc1[N+](=O)[O-] 1871646199 ZVJLLDBONAJSLQ-UHFFFAOYSA-N 416.442 -0.218 5 10 HBBE COc1ccc(N=c2[nH]c(N(C)CCO)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871707701 AHAPBIGJJUJNPD-UHFFFAOYSA-N 420.430 -0.648 5 10 HBBE NC(=O)CC[C@@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCNC=O 2330634819 LYCRRBOQUQZYRD-OAHLLOKOSA-N 405.411 -0.389 5 10 HBBE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] 1167409135 CXYUQFMHWZNYAD-JQWIXIFHSA-N 408.342 -0.029 5 10 HBBE CC(C)C[C@H](NC(=O)CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 1873701090 RGEHHLGMWWCQKG-ZDUSSCGKSA-N 420.378 -0.078 5 10 HBBE O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1626574398 SPOUORLSILRQGJ-DZGCQCFKSA-N 401.416 -0.110 5 10 HBBE CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865722390 PZTJGVDTBKONKP-LLVKDONJSA-N 417.378 -0.472 5 10 HBBE CN(C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)C(=O)c1cc(O)c2ccc3ccccc3c2n1 1866514434 RUSVGOMKVMKPJL-QGZVKYPTSA-N 416.430 -0.399 5 10 HBBE CCN(CCO)c1nc(=NC[C@@H](C)O)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707178 QEBUUPKDMBGXFC-LLVKDONJSA-N 407.431 -0.013 5 10 HBBE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 540114282 IXJITDGQTUUEEU-TXEJJXNPSA-N 416.460 -0.560 5 10 HBBE COC[C@@]1(CN(C)C)COCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1288226481 OOKDZFSRXZQQNC-IBGZPJMESA-N 420.422 -0.004 5 10 HBBE COc1cc(C(=O)NCCNC(=S)N[C@@H](C(=O)O)[C@H](C)O)ccc1[N+](=O)[O-] 585858389 RHTPTPDXWGYLGH-QPUJVOFHSA-N 400.413 -0.369 5 10 HBBE CS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 609490110 SKXRJZOVCDUZLU-LLVKDONJSA-N 400.413 -0.104 5 10 HBBE CC(=O)NCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1861794665 RJXPNYGJYZPBAD-IUODEOHRSA-N 423.382 -0.361 5 10 HBBE C[C@H]1CN2CCN1C[C@H]2C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1142426786 RKZDJILSQRNGEC-BBRMVZONSA-N 411.484 -0.280 5 10 HBBE CN(CCO)CCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 1559278182 RMLXMYSPEHZGKL-UHFFFAOYSA-N 401.489 -0.133 5 10 HBBE NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN(CC(=O)N2CCOCC2)CC1 427507665 VHXYZCXHTLKSRM-UHFFFAOYSA-N 413.456 -0.777 5 10 HBBE COCCN(CCOC)C1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 1557319026 PZCQPWTXVCALLX-UHFFFAOYSA-N 420.422 -0.004 5 10 HBBE O=C(NC[C@]12COCCN1C(=O)COC2)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1675294050 DXGCDNPJJGCMKM-GOSISDBHSA-N 420.426 -0.551 5 10 HBBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C(=O)NC1CC1)=C(N)O2 1865719102 RSVIBEBJKZDHKX-GFCCVEGCSA-N 413.390 -0.035 5 10 HBBE CN(C[C@H](O)CN1CCOCC1)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 497048067 BRXRZYGZXWTGQX-UONOGXRCSA-N 410.427 -0.056 5 10 HBBE COc1cc(CCNC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])cc1OC 550248800 QQADBGFGDCLAEY-AWEZNQCLSA-N 422.438 -0.186 5 10 HBBE COC(=O)CNC(=O)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 609535944 UFVPDBFVDZMGIP-UHFFFAOYSA-N 414.440 -0.420 5 10 HBBE CN(C)CCN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1587488621 KRRGQJQZGFVFRK-UHFFFAOYSA-N 413.500 -0.031 5 10 HBBE CC(=O)N1CCN(c2ccc(C(=O)NC[C@@]3(CO)COCCN3)cc2[N+](=O)[O-])CC1 1642784841 UCQZTWJVDYFVMK-LJQANCHMSA-N 421.454 -0.656 5 10 HBBE Cc1c(C(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@H]2O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1866344103 FYLJANIXOLCVOZ-NWDGAFQWSA-N 417.352 -0.504 5 10 HBBE COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 44712163 OSTWOXYVWFPWCB-UHFFFAOYSA-N 414.440 -0.062 5 10 HBBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CC(O)C3)nc(=NCCN3CCOCC3)[nH]2)c1 1871517925 JOKKEHMQGOGGPQ-UHFFFAOYSA-N 416.442 -0.708 5 10 HBBE NC(=O)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCOCC1 1861034532 ZRNSHUATRAYEKV-OAHLLOKOSA-N 407.427 -0.593 5 10 HBBE C[C@@H]1CN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])CCN1CCO 490034871 SCFNEYYDOFNPMF-CQSZACIVSA-N 415.516 -0.063 5 10 HBBE CN1CCN(C(=O)CNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 1457322982 UXZFUDSXLIZMQX-UHFFFAOYSA-N 403.395 -0.248 5 10 HBBE CN=c1[nH]c(OC2(CNC(=O)OC(C)(C)C)CS(=O)(=O)C2)ncc1[N+](=O)[O-] 2283074423 SVKKUCVNFABZBH-UHFFFAOYSA-N 403.417 -0.081 5 10 HBBE O=C1NC(=O)[C@]2(CCCN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)N1 789379452 PQVUDHKAZDOHOT-LJQANCHMSA-N 416.438 -0.083 5 10 HBBE O=C(NC[C@@]12COCCN1C(=O)COC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1687346099 BSHWXXDTMNMUQB-KRWDZBQOSA-N 408.415 -0.234 5 10 HBBE CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1634876107 CYCXQQFFCWAFCN-WFASDCNBSA-N 400.457 -0.213 5 10 HBBE CN1CCN(C(=O)CCc2nnc(=NC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2O)CC1 1859133900 KQBQNBUAWHHKNP-UHFFFAOYSA-N 415.410 -0.134 5 10 HBBE CC(=O)NCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 1861809592 OPTPQSCGIMQWFW-SWLSCSKDSA-N 423.382 -0.361 5 10 HBBE CC(=O)NCCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCCNC=O)C1=O 1863602155 UMYXHSDIDKSXPX-UHFFFAOYSA-N 403.395 -0.464 5 10 HBBE CNC(=O)CN1CCC(NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 551190233 CECPQASRKWHHBL-UHFFFAOYSA-N 403.439 -0.194 5 10 HBBE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 1538932227 ZBOPIVQEDQVUKI-YGRLFVJLSA-N 422.369 -0.071 5 10 HBBE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 1148007081 XAXJKWSNNQZXLY-CHWSQXEVSA-N 418.472 -0.255 5 10 HBBE CC(C)C[C@@H](NC(=O)CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)O 1873701089 RGEHHLGMWWCQKG-CYBMUJFWSA-N 420.378 -0.078 5 10 HBBE C[C@H](O)CN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520591 PSGBJBYFAGSPEC-ZDUSSCGKSA-N 418.458 -0.726 5 10 HBBE COc1ccc(N=c2[nH]c(N(C)CCO)nc(=NCCOCCO)[nH]2)cc1[N+](=O)[O-] 1871705396 HKBGATYCUNNNKW-UHFFFAOYSA-N 423.430 -0.775 5 10 HBBE CC(=O)NCCNC(=O)[C@H](CCC(N)=O)NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 2330592441 GCCWRXFOYOKULW-HNNXBMFYSA-N 405.411 -0.389 5 10 HBBE C[S@](=O)CCN1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1293789826 LUUUAFGNKUPZFI-SANMLTNESA-N 418.497 -0.604 5 10 HBBE CS(C)(=O)=NS(=O)(=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 1473471755 JBPKOGXABDRQAN-UHFFFAOYSA-N 407.474 -0.654 5 10 HBBE Cn1ccnc(N2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)c1=O 467001737 LEHZMCNKPWWZGC-UHFFFAOYSA-N 414.378 -0.055 5 10 HBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@]1(C)C[C@@H](O)CN1C 1557176523 DPGSEMOEYWOIDJ-WBMJQRKESA-N 400.457 -0.213 5 10 HBBE CN(C)S(=O)(=O)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 509294215 ADUFERZDLSTMIC-UHFFFAOYSA-N 406.486 -0.208 5 10 HBBE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 65749918 ALUDCPFWBPHZFX-UHFFFAOYSA-N 416.460 -0.789 5 10 HBBE COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCNC3=O)CC2)cc1[N+](=O)[O-] 1290052663 TZKHIXKZHGPDED-GFCCVEGCSA-N 412.424 -0.428 5 10 HBBE CN1CCN(S(=O)(=O)N2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC2)CC1 1141571757 HPYHYJNKXTVKLG-UHFFFAOYSA-N 415.447 -0.016 5 10 HBBE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 1538932224 ZBOPIVQEDQVUKI-HZMBPMFUSA-N 422.369 -0.071 5 10 HBBE O=C(NCc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)N2CCOCC2)CC1 45622674 XZPMTWAIRWRCFO-UHFFFAOYSA-N 413.456 -0.001 5 10 HBBE CN(C)CCN1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 609986049 RDKZIPKWAPQWBS-UHFFFAOYSA-N 413.500 -0.079 5 10 HBBE CN(C)S(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 543264594 QNXONXOXZDARAD-UHFFFAOYSA-N 420.469 -0.681 5 10 HBBE O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNC(=S)NCCN1CCOCC1 734981234 HXEZCAHZXJCKHF-UHFFFAOYSA-N 417.513 -0.331 5 10 HBBE COc1ccc(N=c2[nH]c(N3CCC(CO)CC3)nc(=NCCO)[nH]2)cc1[N+](=O)[O-] 1871708674 WSHHGCONPXOHAG-UHFFFAOYSA-N 419.442 -0.011 5 10 HBBE COc1ccc(C(=O)NCCNC(=S)N[C@H](CC(=O)O)C(=O)O)cc1[N+](=O)[O-] 585866080 CDQRKFVTGSFPRD-SECBINFHSA-N 414.396 -0.275 5 10 HBBE COc1ccc(C(=O)NCCNC(=S)N[C@@H](C(=O)O)[C@@H](C)O)cc1[N+](=O)[O-] 585867643 MTQVGCOTLJMITO-PRHODGIISA-N 400.413 -0.369 5 10 HBBE NC(=O)CC[C@H](NC(=S)NCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)O 585858831 SAVXUENINBATFC-UTPRNQHHSA-N 423.451 -0.093 5 10 HBBE CCN(CCO)c1nc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n(C)n1 1870051095 FIVUFXQNLAPDFH-UHFFFAOYSA-N 417.382 -0.223 5 10 HBBE CC(=O)N1CCN(c2nc(=NCCCO)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871520977 RLYMOMRLGIEULV-UHFFFAOYSA-N 416.442 -0.170 5 10 HBBE CC(=O)NCCNC(=O)[C@@H](CCC(N)=O)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2330632693 DCEAYQIJGVVYLU-OAHLLOKOSA-N 405.411 -0.389 5 10 HBBE O=[N+]([O-])c1ccc(N2CCN(CCCO)CC2)nc1N1CCN(CCCO)CC1 434088389 FYUMBHHTDAXJPE-UHFFFAOYSA-N 408.503 -0.001 5 10 HBBE O=C(CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1)N1CCOCC1 920041635 IZSKPFOQWBPZHA-UHFFFAOYSA-N 404.470 -0.179 5 10 HBBE O=C(c1c[nH]nc1[N+](=O)[O-])N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1628349041 XUEYGVWCXDMMDY-LBPRGKRZSA-N 401.445 -0.331 5 10 HBBE Cc1c(C(=O)N[C@H](CC(N)=O)C(=O)NCCN2CCOCC2)cccc1[N+](=O)[O-] 1861011357 UEVVRCWCLLUOPA-CQSZACIVSA-N 407.427 -0.675 5 10 HBBE O=C(CN1CCOCC1=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 447897557 NOGIANJIGZNSRE-UHFFFAOYSA-N 412.424 -0.714 5 10 HBBE CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1OC 1472031624 IXKKVEKBTFOCKQ-JTQLQIEISA-N 400.413 -0.024 5 10 HBBE Nc1c(Br)cc(C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1[N+](=O)[O-] 1652500663 HLVMGVIBODRADT-QMMMGPOBSA-N 420.245 -0.086 5 10 HBBE Cc1c(C(=O)N[C@@H](CC(N)=O)C(=O)NCCN2CCOCC2)cccc1[N+](=O)[O-] 1861011356 UEVVRCWCLLUOPA-AWEZNQCLSA-N 407.427 -0.675 5 10 HBBE COC(=O)[C@@H]1CN(C)CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 1299455773 HWXSILGCEBQZFJ-CQSZACIVSA-N 407.427 -0.043 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(N3CCN(C)[C@H](CO)C3)c([N+](=O)[O-])c2)CC1 1559253492 AOADZIDFGQLATK-AWEZNQCLSA-N 413.500 -0.356 5 10 HBBE CNS(=O)(=O)CCCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 609157866 SBNSMTXHTNJUKS-UHFFFAOYSA-N 406.486 -0.160 5 10 HBBE O=c1c2cc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2oc2cc(O)cc(O)c12 4098550 DSJIWZUDANJKCU-LQDZTQBFSA-N 422.342 -0.758 5 10 HBBE biogenic,in-vitro CN(C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 1354114083 SCACFOCDORACIM-HNNXBMFYSA-N 401.427 -0.182 5 10 HBBE CNS(=O)(=O)N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 1467987750 GCDJJQSJNUTYOY-UHFFFAOYSA-N 400.413 -0.022 5 10 HBBE CC[N+]1(C)CCC(N(CCS(=O)(=O)N(C)C)C(=O)C2CS(=O)(=O)C2)CC1 1853553448 CBWDNPLDSLBKSQ-UHFFFAOYSA-N 410.582 -0.620 5 10 HBBE O=[N+]([O-])c1cnc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1 1306986360 GTPDGMXTTNXSCN-LLVKDONJSA-N 408.433 -0.232 5 10 HBBE O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCC12COCCN1CCOC2 1168939895 UQQPURJFZZMVAH-UHFFFAOYSA-N 406.395 -0.462 5 10 HBBE O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CCN2[C@@H](CNS2(=O)=O)C1 1635665288 CNKAGZOANHEXLA-AWEZNQCLSA-N 406.424 -0.186 5 10 HBBE NC(=O)CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCNC=O 1861124324 BWKUFGWTEXHMBU-ULYATVDSSA-N 405.411 -0.389 5 10 HBBE Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 524051525 RRKHUUDMAAACKI-AWEZNQCLSA-N 424.479 -0.036 5 10 HBBE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 1304577782 RKZGRNAVJHOUGD-LLVKDONJSA-N 412.786 -0.180 5 10 HBBE COC(=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1540296907 ALRDHQAYDFIMKM-UHFFFAOYSA-N 401.397 -0.001 5 10 HBBE CN1C[C@@H](C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)NC1=O 1624507186 LDKRDEXPCQIUPV-LBPRGKRZSA-N 411.440 -0.330 5 10 HBBE CC(=O)N1CCN(c2nc(=NCCO)[nH]c(=Nc3cccc([N+](=O)[O-])c3)[nH]2)CC1 1871521329 GESVWEYJNPPLAW-UHFFFAOYSA-N 402.415 -0.560 5 10 HBBE O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 1634863431 BYAZMRLHBSELCJ-HUUCEWRRSA-N 412.468 -0.069 5 10 HBBE O=C(CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)N(CCO)CCOCCO 1642498133 WVXHHHYFDNIGLD-UHFFFAOYSA-N 403.338 -0.137 5 10 HBBE O=C(CN1C[C@H]2C[C@H]1C[C@H]2O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1473826778 WDLDZFKYPQPZRK-UKPHBRMFSA-N 424.479 -0.117 5 10 HBBE O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCCN1CCN(CCO)CC1 1866025994 HSEZOTANGXNAHL-UHFFFAOYSA-N 419.438 -0.693 5 10 HBBE COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 1872993238 PTQHYCHPUIDQQW-FZMZJTMJSA-N 404.379 -0.162 5 10 HBBE COc1ccc(N=c2[nH]c(N3CC(O)C3)nc(=NCCNC(C)=O)[nH]2)cc1[N+](=O)[O-] 1871708408 LOTKTJNNXRJIPG-UHFFFAOYSA-N 418.414 -0.895 5 10 HBBE CNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1471978134 CHBNNRFKEKKTDP-UHFFFAOYSA-N 407.427 -0.387 5 10 HBBE COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 517882770 YHJBGNWZNSZKGT-UHFFFAOYSA-N 414.440 -0.062 5 10 HBBE O=C(CN1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1)N1CCOCC1 521154130 VSGIRBFWFHPQST-UHFFFAOYSA-N 416.431 -0.101 5 10 HBBE CNS(=O)(=O)CCCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 609157835 GZMOZMVBUNFLAH-UHFFFAOYSA-N 406.486 -0.160 5 10 HBBE CC(=O)NCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C 1861794663 RJXPNYGJYZPBAD-DOMZBBRYSA-N 423.382 -0.361 5 10 HBBE COc1ccc(C(=O)NCC(=O)N2CCN(CCC(=O)N(C)C)CC2)cc1[N+](=O)[O-] 535119804 DNIWIIBFCWICGJ-UHFFFAOYSA-N 421.454 -0.044 5 10 HBBE COc1cc(CCNC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])cc1OC 550248801 QQADBGFGDCLAEY-CQSZACIVSA-N 422.438 -0.186 5 10 HBBE O=C(CN1C(=O)NC2(CC(O)C2)C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1614853623 LKQUYUPQZZYXDI-UHFFFAOYSA-N 403.395 -0.311 5 10 HBBE C[C@H](C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 1643005206 LGMQUYCDEATPNG-CQSZACIVSA-N 413.500 -0.033 5 10 HBBE O=C(NCCN1C(=O)CSC1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860754845 FOUWDJFJMJEGQZ-UHFFFAOYSA-N 422.423 -0.550 5 10 HBBE COC(=O)c1cc(C)nc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] 559590705 SRZNNASDZYJUKO-UHFFFAOYSA-N 421.410 -0.408 5 10 HBBE Cn1nc(N2CC(O)C2)nc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870001225 UTAQKGCNLOXXCW-UHFFFAOYSA-N 415.366 -0.471 5 10 HBBE COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 494594165 BUWMAUKEIVRFOL-UHFFFAOYSA-N 414.440 -0.062 5 10 HBBE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 514307626 KYVLJFZIHIWASM-OAHLLOKOSA-N 419.438 -0.102 5 10 HBBE CN(C)S(=O)(=O)NCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1478684041 QNWCTMGWFIWVPK-UHFFFAOYSA-N 400.461 -0.178 5 10 HBBE N=C(N)NCCC[C@@H](NC(=O)CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21)C(=O)O 31845682 XBMXBIOHZUYEMP-SNVBAGLBSA-N 408.371 -0.847 5 10 HBBE NS(=O)(=O)c1c(N2CCN(CC(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-] 603929241 DDAPNKHFUPRXLP-UHFFFAOYSA-N 413.456 -0.777 5 10 HBBE CN1C(=O)CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1=O 1139111904 WLTADZDGWLXNTE-LBPRGKRZSA-N 424.435 -0.177 5 10 HBBE Cc1nc(N2CCN(CCCO)CC2)nc(N2CCN(CCCO)CC2)c1[N+](=O)[O-] 534916133 IITLUFVHSWZSAC-UHFFFAOYSA-N 423.518 -0.298 5 10 HBBE CC(=O)N1CCN(c2ccc(C(=O)N3CCO[C@H](CC(N)=O)C3)cc2[N+](=O)[O-])CC1 1454469252 LMDKLBNLWSCDQJ-OAHLLOKOSA-N 419.438 -0.020 5 10 HBBE CN1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1463598582 JKXCVIZRIPQDBP-SUMWQHHRSA-N 412.468 -0.117 5 10 HBBE COC(=O)[C@H](CS(=O)(=O)N1CC([N+](=O)[O-])C1)NC(=O)OCc1ccccc1 2249428871 SBDIDPDKFOZWME-ZDUSSCGKSA-N 401.397 -0.255 5 10 HBBE CC(=O)N1CSC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 747385038 YSGLNNIJUBPJGX-ZDUSSCGKSA-N 402.454 -0.089 5 10 HBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC(CN2C(=O)CCC2=O)C1 1892287375 YOAPEPHNPIMZFP-UHFFFAOYSA-N 400.347 -0.202 5 10 HBBE NC(=O)C[C@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCOCC1 2330635184 QDPIYXFQCGEADN-INIZCTEOSA-N 419.438 -0.583 5 10 HBBE CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1 427359388 VGTLTZPHCOQBJV-UHFFFAOYSA-N 411.444 0.000 5 10 HBBE O=C(CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)N[C@H](CO)CN1CCOCC1 1617387585 HIAQCDKSTJNKSP-NSHDSACASA-N 414.365 -0.158 5 10 HBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@@H]1OCCN(C)C1=O 1630904131 APQHZCYNHQZJME-ZDUSSCGKSA-N 400.413 -0.811 5 10 HBBE Cc1c(C(=O)N(CC(=O)O)[C@@H]2CS(=O)(=O)C[C@H]2O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1866344105 FYLJANIXOLCVOZ-VXGBXAGGSA-N 417.352 -0.504 5 10 HBBE Cc1nc(N2CCN(CCO)[C@@H](C)C2)nc(N2CCN(CCO)[C@@H](C)C2)c1[N+](=O)[O-] 490043295 PULLDHRPRDMQBE-GJZGRUSLSA-N 423.518 -0.301 5 10 HBBE CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C2 487433918 RSCJSIMDZQXYAN-UHFFFAOYSA-N 424.364 -0.096 5 10 HBBE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2c(c1)COB2O 1643005273 NVZNRXWVAVQAHY-UHFFFAOYSA-N 419.224 -0.137 5 10 HBBE CC(=O)NCCNC(=O)[C@H](CCC(N)=O)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861123349 DCEAYQIJGVVYLU-PXTSUWAFSA-N 405.411 -0.389 5 10 HBBE Cc1nc(N2CCN(CCO)[C@H](C)C2)nc(N2CCN(CCO)[C@H](C)C2)c1[N+](=O)[O-] 490043299 PULLDHRPRDMQBE-HUUCEWRRSA-N 423.518 -0.301 5 10 HBBE O=C(CN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1)N[C@H]1CCS(=O)(=O)C1 559144014 DYGOLBGHISXEFG-AWEZNQCLSA-N 412.468 -0.279 5 10 HBBE COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCN2CCOCC2)c1 1861344004 CXZRVSBTTPKIFB-GUYCJALGSA-N 422.438 -0.373 5 10 HBBE O=C1C(NCCCO)=C(c2ccccc2[N+](=O)[O-])C(=O)N1CCN1CCOCC1 1863597948 UCQISTIYULRXOK-UHFFFAOYSA-N 404.423 -0.021 5 10 HBBE CCOC(=O)[C@H](CC(N)=O)NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866024448 XUPHZGAIGFZSLU-NSHDSACASA-N 420.378 -0.106 5 10 HBBE C[C@@H](O)CN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 444388864 MDWFQFCTUJBKLH-CYBMUJFWSA-N 400.457 -0.212 5 10 HBBE Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)n(C(CO)(CO)CO)cc2n(C)c1=O 20443224 NQPAHRVAXNYRFQ-UHFFFAOYSA-N 404.379 -0.714 5 10 HBBE NS(=O)(=O)c1cn(Cc2ncc(I)cn2)nc1[N+](=O)[O-] 2381421513 BZZJWEFJIGXBEW-UHFFFAOYSA-N 410.153 -0.118 5 10 HBBE COCCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518635 NRPFPDSONBDVBQ-UHFFFAOYSA-N 418.458 -0.460 5 10 HBBE COC(=O)[C@@H](CS(=O)(=O)N1CC([N+](=O)[O-])C1)NC(=O)OCc1ccccc1 2249442900 SBDIDPDKFOZWME-CYBMUJFWSA-N 401.397 -0.255 5 10 HBBE COc1ccc(C(=O)NCC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] 1627307710 XJSLOISUXAURIC-GFCCVEGCSA-N 407.427 -0.088 5 10 HBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[C@@H](C(=O)N2CCOCC2)C1 1891942062 GKSLINFNRWBWTL-GFCCVEGCSA-N 416.390 -0.102 5 10 HBBE Cc1c(C(=O)NCCNC(=S)N[C@H](CCC(N)=O)C(=O)O)cccc1[N+](=O)[O-] 585860940 MEAMDDXBPGDNAM-LLVKDONJSA-N 411.440 -0.184 5 10 HBBE CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 1461960391 GIMYISAOFNDQGE-NSHDSACASA-N 401.397 -0.244 5 10 HBBE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N(C)C)CCO1 1517533493 BOIVSWRCABSQHI-AWEZNQCLSA-N 417.426 -0.107 5 10 HBBE O=C(N[C@@H](CO)C(=O)NCCC1OCCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867833009 IAKOUQUQOPXKCK-ZDUSSCGKSA-N 412.355 -0.137 5 10 HBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CSCC(=O)N1 1638909169 AKGNDEKLRGJNBC-JTQLQIEISA-N 402.454 -0.437 5 10 HBBE CCN1CCN(CC(=O)N[C@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)C(=O)C1=O 1643181301 FAXXZKTXFRINQW-SFHVURJKSA-N 406.395 -0.210 5 10 HBBE CN(C)S(=O)(=O)CCNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1470375719 FHPUBQXKBRBFEY-UHFFFAOYSA-N 413.456 -0.046 5 10 HBBE Cc1c(N=c2[nH]c(N(CCO)CCO)nc(=NCCN(C)C)[nH]2)cccc1[N+](=O)[O-] 1871645442 OUEJCHXZKPBIAN-UHFFFAOYSA-N 420.474 -0.560 5 10 HBBE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21 1437558146 MVRCLCOBYZAIMX-JQWIXIFHSA-N 419.362 -0.039 5 10 HBBE CCc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NC[C@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871619577 OPTOQEZEYFKMLL-LBPRGKRZSA-N 421.458 -0.487 5 10 HBBE C[C@H]1CN2CCN1C[C@H]2C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1440716123 YPNVSYPBXPTYMA-LRDDRELGSA-N 411.484 -0.085 5 10 HBBE CC(=O)NCCN=c1nc(N2CCC(O)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521094 CZKIETUMTJUBGO-UHFFFAOYSA-N 416.442 -0.124 5 10 HBBE CC(C)(C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)n1cc([N+](=O)[O-])cn1 523253362 DJKYGPDHDFTPJK-UHFFFAOYSA-N 416.460 -0.752 5 10 HBBE O=[N+]([O-])c1cccc(N=c2[nH]c(N3CCC(O)CC3)nc(=NCCOCCO)[nH]2)c1 1871520746 MNWJPUOXNWXCQH-UHFFFAOYSA-N 419.442 -0.251 5 10 HBBE O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H](CO)CN1CCOCC1 508336990 CTNKLQRRADBGKT-LLVKDONJSA-N 400.819 -0.213 5 10 HBBE O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1472749930 HFCYWVLORMFMOX-IRXDYDNUSA-N 424.479 -0.233 5 10 HBBE CC(=O)N1CCN(c2ccc(C(=O)N3C[C@H]4C(=O)NC(=O)[C@H]4C3)cc2[N+](=O)[O-])CC1 1636010491 IQWDCNJRIFPURH-OKILXGFUSA-N 415.406 -0.392 5 10 HBBE CC(=O)NCCNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1861028099 KTCISAVQWCJGEN-LBPRGKRZSA-N 413.818 -0.136 5 10 HBBE Cn1c(=O)c2[nH]c(Sc3nnc(-c4ccc([N+](=O)[O-])cc4)n3N)nc2n(C)c1=O 253565924 IISOBKABFPRONC-UHFFFAOYSA-N 415.395 -0.008 5 10 HBBE O=C([C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC2(C[C@@H](O)CNC2=O)C1 1644588921 KBDVOADPHXDYTK-MNOVXSKESA-N 408.436 -0.030 5 10 HBBE COCCC(=O)N1CCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169829633 QDKCCRJDZKQLJC-UHFFFAOYSA-N 404.379 -0.102 5 10 HBBE C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(N3CCN(C[C@@H](C)O)CC3)n2)CC1 617947344 PKVDVKJVEVOWBP-JKSUJKDBSA-N 408.503 -0.005 5 10 HBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC1CN(S(C)(=O)=O)C1 1473582544 PEEMQMQWYMYGQV-UHFFFAOYSA-N 406.486 -0.304 5 10 HBBE O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1558920336 APPPEUNJGOBQTA-JKSUJKDBSA-N 415.443 -0.031 5 10 HBBE O=C(O)CC[C@H](NC(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(O)O 1866026703 XLSUPJKLRPSFHC-LBPRGKRZSA-N 409.351 -0.369 5 10 HBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(CC(F)(F)CO)CC1 1631471191 VSFZFNXUDHXKFO-UHFFFAOYSA-N 412.349 -0.037 5 10 HBBE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[C@H](O)C2)C1 1635983185 ZOBYIQLSHKQBBE-CABCVRRESA-N 412.468 -0.069 5 10 HBBE COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(CCC(=O)NCCO)c(O)n2)c1 1860896252 LNQXAXPONZKRAU-UHFFFAOYSA-N 406.355 -0.213 5 10 HBBE COC(=O)CNC(=O)CCNC(=O)CNC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867787286 GFMKHMFORLFRBY-UHFFFAOYSA-N 409.399 -0.814 5 10 HBBE NC(=O)C[C@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)NCCN1CCOCC1 2330671345 DMXPDFYBYVVVEG-HNNXBMFYSA-N 419.438 -0.583 5 10 HBBE COCC(=O)N(C)CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1142426521 KTMGYMPISQXKLZ-UHFFFAOYSA-N 402.429 -0.564 5 10 HBBE CN(CNc1ccc([N+](=O)[O-])cc1Br)[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 59378981 ZIJSBIRJGVZEGC-RYMFRWLXSA-N 422.232 -0.542 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(N3CC(=O)N(C)C(=O)C3)c([N+](=O)[O-])c2)CC1 476062365 PCXUQLDVUGCATJ-UHFFFAOYSA-N 411.440 -0.664 5 10 HBBE CN(C)C[C@@]1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1558043426 NHRMMKQJBGNUPQ-INIZCTEOSA-N 400.457 -0.212 5 10 HBBE CS(=O)(=O)C[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCO1 1536688711 RJVKWAIUCXZSLQ-GFCCVEGCSA-N 413.408 -0.408 5 10 HBBE Cn1ncnc1C1(O)CN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)C1 1651095135 XPLWGHQUDBFKFS-UHFFFAOYSA-N 408.321 -0.108 5 10 HBBE Cn1c(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc(=O)n(C)c1=O 1873774129 KFXWNTXEUXCMRE-UHFFFAOYSA-N 401.335 -0.383 5 10 HBBE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21 1437558157 MVRCLCOBYZAIMX-ZYHUDNBSSA-N 419.362 -0.039 5 10 HBBE Cc1nc(N2CCN3CCOC[C@@H]3C2)nc(N2CCN3CCOC[C@@H]3C2)c1[N+](=O)[O-] 544411434 FWHGBKQHVIGVRH-HOTGVXAUSA-N 419.486 -0.265 5 10 HBBE COC(OC)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 1640225526 QHBCTKXJWWKKQR-UHFFFAOYSA-N 415.424 -0.098 5 10 HBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(CC(F)(F)CO)CC1 1644003003 AFZBXZVABASDRV-UHFFFAOYSA-N 422.410 -0.355 5 10 HBBE CC[N+]1(C)CCC(N(CCS(=O)(=O)N(C)C)C(=O)CN2CCCC2=O)CC1 1853566088 JNTWXTCORVCPNQ-UHFFFAOYSA-N 403.569 -0.042 5 10 HBBE Cc1c(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCN2CCOCC2)cccc1[N+](=O)[O-] 1861012656 LKRVVPXUHWZOQI-RHSMWYFYSA-N 406.439 -0.073 5 10 HBBE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 498186860 CFBKDGOBWNRKCD-UHFFFAOYSA-N 412.472 -0.452 5 10 HBBE O=C(NCc1nnc2ccccn12)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 550196667 MDXYNJWJOHWMEK-UHFFFAOYSA-N 410.394 -0.003 5 10 HBBE COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)N3CCOCC3)CC2)n1 562865069 CEFAQSNUSDNGJF-UHFFFAOYSA-N 415.428 -0.525 5 10 HBBE Cn1nc(N2CCOCC2)nc1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1869953371 IZLPHRNEIDQCFZ-UHFFFAOYSA-N 415.366 -0.205 5 10 HBBE COC(=O)CNC(=O)CCNC(=O)[C@@H](C)NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 1867787097 AQHDXCAJTWDLFP-LLVKDONJSA-N 423.426 -0.425 5 10 HBBE CC(C)C[C@H](NC(=O)CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O 1873700980 MGCBBMMJJVTZGK-NSHDSACASA-N 420.378 -0.078 5 10 HBBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)NC1CC1)=C(N)O2 1865718709 NKEDLOPRZTVEOL-LBPRGKRZSA-N 413.390 -0.035 5 10 HBBE O=C(NCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCN1CCNCC1 217306915 ZFLQBCXNTALAIQ-UHFFFAOYSA-N 404.427 -0.215 5 10 HBBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCCNC=O)cc1[N+](=O)[O-] 1861810238 VYSIKJKDVZZPSS-SWLSCSKDSA-N 423.382 -0.361 5 10 HBBE C[C@@H](O)CN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520590 PSGBJBYFAGSPEC-CYBMUJFWSA-N 418.458 -0.726 5 10 HBBE O=C(CN1CCc2ncc([N+](=O)[O-])cc2C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 544438571 JZXQVXLHPJWGLM-HNNXBMFYSA-N 423.495 -0.321 5 10 HBBE C[C@](Cn1cccn1)(NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O 1198572371 GAEVZNGMCVJXPK-LJQANCHMSA-N 415.454 -0.026 5 10 HBBE CC(C)(CCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)[N+](=O)[O-] 1625126757 SDNOCNITPUOZEL-GFCCVEGCSA-N 411.502 -0.517 5 10 HBBE O=C1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)CCN1 1731223798 QYMPLPXLCNMMKN-UHFFFAOYSA-N 415.410 -0.352 5 10 HBBE O=C(CN1C[C@@H]2CNC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 603909546 CJBKKZGTHVPIJM-GASCZTMLSA-N 423.495 -0.421 5 10 HBBE CN1C(=O)[C@@H]2CN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)C[C@@H]2C1=O 1458547214 NVOWGFJQBPLIIU-BETUJISGSA-N 424.435 -0.333 5 10 HBBE CN(C)CCN1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1=O 1640708883 KYDKWEBPLVXTIG-UHFFFAOYSA-N 406.443 -0.374 5 10 HBBE CN1C(=O)[C@@H]2CN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])C[C@@H]2C1=O 1458544699 IINHEUQWAWBRCA-BETUJISGSA-N 424.435 -0.333 5 10 HBBE CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 497048066 BRXRZYGZXWTGQX-KGLIPLIRSA-N 410.427 -0.056 5 10 HBBE CCOC(=O)c1cc(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc([N+](=O)[O-])c1 1438180902 KPLAVPZEZLYBBI-UHFFFAOYSA-N 400.413 -0.008 5 10 HBBE C[C@@H](O)CN1C(=O)C(NCCN2CCOCC2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863596274 PQYZPERZKNTBHG-CYBMUJFWSA-N 404.423 -0.023 5 10 HBBE CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1[N+](=O)[O-] 1865722144 LAPNGUPANSMGHG-LLVKDONJSA-N 401.379 -0.177 5 10 HBBE O=C(N[C@@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O)c1c[nH]c2c(ccc3ccccc32)c1=O 1866076946 XEWLBRATFKSMQA-HFJOKLDRSA-N 400.387 -0.789 5 10 HBBE COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(O)CCOC3)CC2)cc1[N+](=O)[O-] 1135342194 YKLLUYHEBFIHJM-MRXNPFEDSA-N 415.424 -0.412 5 10 HBBE CN(C)C(=O)CN1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1154925268 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1627471257 IYJNWZLAGBOHKN-UKRRQHHQSA-N 412.468 -0.069 5 10 HBBE CC(=O)NCCN=c1nc(N(C)CCO)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871578241 VOPRAVQCJKXKRM-UHFFFAOYSA-N 424.849 -0.003 5 10 HBBE O=C1CCN(CC(=O)Nc2cc(N3CCNC(=O)CC3)ccc2[N+](=O)[O-])CCN1 532949849 YPCVTMGRRFCGPS-UHFFFAOYSA-N 404.427 -0.319 5 10 HBBE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 1142980419 ZMXZPCZFRVASNA-CYBMUJFWSA-N 406.443 -0.028 5 10 HBBE C[C@H]1CN2CCN1C[C@H]2C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1452206556 SQXRJVZSBVKOLV-ZFWWWQNUSA-N 411.484 -0.280 5 10 HBBE O=[N+]([O-])c1ccc(N2C[C@@H](CO)[C@H](CO)C2)c(S(=O)(=O)N2CCOCC2)c1 1458513381 NNWFEFSCOQWUEG-STQMWFEESA-N 401.441 -0.347 5 10 HBBE CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867784044 LVAPUZGBCQFWGQ-WCQYABFASA-N 407.427 -0.464 5 10 HBBE O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1COC1 785771617 CZFFBWLMPWQMAS-UHFFFAOYSA-N 413.408 -0.383 5 10 HBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC(=O)N1CCN(C)CC1 544119877 KBKHZLTVOIIDLZ-UHFFFAOYSA-N 414.440 -0.176 5 10 HBBE COc1ccc(C(=O)NCCNC(=S)N[C@H](C(=O)O)[C@@H](C)O)cc1[N+](=O)[O-] 585867642 MTQVGCOTLJMITO-PELKAZGASA-N 400.413 -0.369 5 10 HBBE Cc1ncc([N+](=O)[O-])n1CC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1462701422 XGQBPMUIBOOZEW-UHFFFAOYSA-N 402.411 -0.009 5 10 HBBE Cc1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1CCNS(C)(=O)=O 1612599206 KHYYBDQWMJUJDT-UHFFFAOYSA-N 410.460 -0.234 5 10 HBBE O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N1CCN2CCOC[C@@]2(CO)C1 1456231348 CCVNCMLUBQZLBQ-ACJLOTCBSA-N 408.411 -0.302 5 10 HBBE CC(=O)NCCN=c1nc(N2CCOCC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521068 CLZDINUYRRHJGY-UHFFFAOYSA-N 402.415 -0.248 5 10 HBBE COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](O)C[C@@H]2C(=O)NCCN2CCOCC2)c1 1861344002 CXZRVSBTTPKIFB-CXAGYDPISA-N 422.438 -0.373 5 10 HBBE COCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1 543187784 JUZDTKPNPOHMCL-UHFFFAOYSA-N 401.397 -0.139 5 10 HBBE CC(=O)NCCNC(=O)[C@H](CCC(N)=O)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 2330632692 DCEAYQIJGVVYLU-HNNXBMFYSA-N 405.411 -0.389 5 10 HBBE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@@H](C(=O)N2CCOCC2)C1 1892128247 LITQRKPNZVFZGO-CQSZACIVSA-N 415.424 -0.148 5 10 HBBE Cc1cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)NCCN2CCOCC2)ccc1[N+](=O)[O-] 1861819262 HLJLSVSKUNUUFF-WBVHZDCISA-N 406.439 -0.073 5 10 HBBE Cn1cc(CN([C@@H]2CCNC2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 725373237 FDQJSDBDMXGIIE-CQSZACIVSA-N 423.451 -0.455 5 10 HBBE O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 505748607 YOIPYCIERNBPQY-UHFFFAOYSA-N 400.413 -0.365 5 10 HBBE O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN2CCOC[C@@H]2C1 554935867 LIGSGTSZLSWLHB-AWEZNQCLSA-N 413.456 -0.401 5 10 HBBE CNC(=O)CN1CCN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CC1 1294100930 JWCJXAIYXMRQFV-UHFFFAOYSA-N 411.365 -0.077 5 10 HBBE Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)n1 1540750735 ZHXVZONIOPXPFN-UHFFFAOYSA-N 412.472 -0.452 5 10 HBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C[C@H](O)CN3CCOCC3)CC2)c1 26711614 WQOKOZRFMDHZHF-INIZCTEOSA-N 414.484 -0.406 5 10 HBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCC[C@H]2O)CC1 1627471255 IYJNWZLAGBOHKN-DZGCQCFKSA-N 412.468 -0.069 5 10 HBBE CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC2)CC1 1136201638 QGWDMWFQQGGWGG-UHFFFAOYSA-N 415.447 -0.016 5 10 HBBE C[C@H](O)CNC(=O)Cc1ccc(NC(=O)CCCNS(C)(=O)=O)c([N+](=O)[O-])c1 1860845508 IKSCPYDQVCHFKY-NSHDSACASA-N 416.456 -0.098 5 10 HBBE NC(=O)CC[C@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)NCCCNC=O 2330670776 HPNKYUWSCLGZCL-AWEZNQCLSA-N 405.411 -0.389 5 10 HBBE O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C[C@@H](O)CN3CCOCC3)CC2)c1 26711610 WQOKOZRFMDHZHF-MRXNPFEDSA-N 414.484 -0.406 5 10 HBBE Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCCNC=O)cc1[N+](=O)[O-] 1861810239 VYSIKJKDVZZPSS-WFASDCNBSA-N 423.382 -0.361 5 10 HBBE O=C(CN1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1)N1CCOCC1 608956416 VOFNHWARVFEVEN-UHFFFAOYSA-N 420.422 -0.017 5 10 HBBE COc1cc(OCC(=O)N2CCOC[C@H]2CNS(C)(=O)=O)ccc1[N+](=O)[O-] 1595938273 QMXJUKQJFUJSRU-LLVKDONJSA-N 403.413 -0.241 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(N3CC[C@@H](O)[C@@H](O)C3)c([N+](=O)[O-])c2)CC1 1612765437 YNPORUGTFADZCG-CVEARBPZSA-N 400.457 -0.537 5 10 HBBE COc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)OC)CC2)cc1[N+](=O)[O-] 774548049 TYRGSWPKYLLSAG-UHFFFAOYSA-N 402.429 -0.071 5 10 HBBE CN1CCN(C)[C@H](CNc2nc(NC[C@@H]3CN(C)CCN3C)c([N+](=O)[O-])s2)C1 570245000 RQBJAVWCJMFMEO-ZIAGYGMSSA-N 412.564 0.367 5 10 HBBE O=C(C1CS(=O)(=O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1538570233 IFSOFCSXLVSDJS-UHFFFAOYSA-N 403.438 -0.528 5 10 HBBE O=C(C1=CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1540299638 RIAOMTWUIBDWAZ-UHFFFAOYSA-N 415.449 -0.218 5 10 HBBE CCc1ccc(N=c2[nH]c(N(CCO)CCO)nc(=NC[C@@H](C)O)[nH]2)cc1[N+](=O)[O-] 1871619576 OPTOQEZEYFKMLL-GFCCVEGCSA-N 421.458 -0.487 5 10 HBBE CN(C)CCCNS(=O)(=O)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)c([N+](=O)[O-])c1 610588143 GSNKEWFAXWTKFO-BETUJISGSA-N 402.473 -0.243 5 10 HBBE CCOCCS(=O)(=O)NCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1625853385 SQMXICWWTBVHML-UHFFFAOYSA-N 401.445 -0.406 5 10 HBBE NC(=O)C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCOCC1 1861124468 QDPIYXFQCGEADN-APHBUQMISA-N 419.438 -0.583 5 10 HBBE CN1CCN(NC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 1858622392 UERYDGIOTOUCAH-UHFFFAOYSA-N 412.472 -0.227 5 10 HBBE CN1CCC(N(CCO)C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1631400163 TXMCHCIAVNAJEP-UHFFFAOYSA-N 400.457 -0.212 5 10 HBBE O=C(N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1c[nH]c2c(ccc3ccccc32)c1=O 1866076947 XEWLBRATFKSMQA-MTMYPFOBSA-N 400.387 -0.789 5 10 HBBE CN(CCO)c1nc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n(C)n1 1870031301 YZWVMIYIELNBKD-UHFFFAOYSA-N 417.382 -0.223 5 10 HBBE CN(C)CC(=O)N1CCO[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 116883584 FTXWAHVZNJXVRL-LLVKDONJSA-N 401.445 -0.557 5 10 HBBE COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCNC3=O)CC2)cc1[N+](=O)[O-] 1290052664 TZKHIXKZHGPDED-LBPRGKRZSA-N 412.424 -0.428 5 10 HBBE CN1CCN(C2CN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 1156295717 ZHGGKABATRUKJU-UHFFFAOYSA-N 411.484 -0.279 5 10 HBBE COC(OC)C(=O)N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 1469990898 GEHMDQHEFDOLTF-UHFFFAOYSA-N 422.394 -0.390 5 10 HBBE CN1CCN(C(=O)N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 1616258272 UNNYKTYWGCIQSC-UHFFFAOYSA-N 418.454 -0.164 5 10 HBBE COc1cc(C(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@@H]2O)c([N+](=O)[O-])cc1OC 1866340828 OJEXCMXPCBGXLA-QWRGUYRKSA-N 418.380 -0.703 5 10 HBBE Cn1cc(N2CCC(NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(=O)n(C)c1=O 1891649401 IZDIDBIRAKWZSY-UHFFFAOYSA-N 423.451 -0.061 5 10 HBBE Cn1cc(CN([C@H]2CCNC2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 725373236 FDQJSDBDMXGIIE-AWEZNQCLSA-N 423.451 -0.455 5 10 HBBE CO[C@@H]1CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C[C@H]1O 1458375372 BMAMBJAOVPQSTF-HZPDHXFCSA-N 400.457 -0.273 5 10 HBBE O=C(COc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)N2CCOCC2)CC1 31248061 KPMLSBQBNLQDLF-UHFFFAOYSA-N 414.440 -0.305 5 10 HBBE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 748487831 ZFXRRLPQWDLTMJ-CQSZACIVSA-N 410.427 -0.227 5 10 HBBE CN(C)CCN1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1=O 1527480757 PKJIPGQIIVZQJW-UHFFFAOYSA-N 403.395 -0.577 5 10 HBBE O=C(NC[C@]12COCCN1C(=O)COC2)c1cc([N+](=O)[O-])ccc1N1CCOCC1 1544631791 CRLFLYOYBRKBGH-LJQANCHMSA-N 420.422 -0.211 5 10 HBBE NS(=O)(=O)c1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)c([N+](=O)[O-])c1 22813891 WQOPWKLLFWRIOK-UHFFFAOYSA-N 413.456 -0.777 5 10 HBBE O=C(CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)NN1CCS(=O)(=O)CC1 1147898172 RVMQTQOQZQVASE-UHFFFAOYSA-N 404.351 -0.205 5 10 HBBE COC(=O)Cn1cnc2c(nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1=O 1870102480 VECUROUXEQAURW-UHFFFAOYSA-N 402.323 -0.016 5 10 HBBE Cc1c(N=c2[nH]c(N(CCO)CCO)nc(=NC[C@@H](C)O)[nH]2)cccc1[N+](=O)[O-] 1871645438 KXUQLDUAGDLKLU-LLVKDONJSA-N 407.431 -0.741 5 10 HBBE CNC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1867782771 WLCHOTHJAJCJST-VXGBXAGGSA-N 407.427 -0.200 5 10 HBBE O=C(CCCNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)NC1CC1 1867833588 MFXLNBHYOJLLPL-AWEZNQCLSA-N 423.382 -0.231 5 10 HBBE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)N(C)C)CC1 603555685 OUNZMXZDVVSEGZ-UHFFFAOYSA-N 408.458 -0.284 5 10 HBBE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CN1CSCC1=O 1557064147 LKGHFMNYGZFHBZ-UHFFFAOYSA-N 402.454 -0.136 5 10 HBBE O=C(CN1C[C@H]2C[C@]2(CO)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 782611404 CZWLQQNSENLKHM-RDTXWAMCSA-N 424.479 -0.258 5 10 HBBE CC(=O)N[C@H]1[C@H](Oc2ccc3nc4ccc(=O)cc-4oc3c2)O[C@H](CO)[C@@H](O)[C@@H]1O 59832726 JIMDDOHARTZNGH-LASHMREHSA-N 416.386 -0.385 5 10 HBBE NC(=O)CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCOCC1 1861029472 AONXKZNJCXBPRX-OAHLLOKOSA-N 407.427 -0.593 5 10 HBBE C[C@H]1CN(CCO)CCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1299280791 HUOCEGPKLVLGQW-ZDUSSCGKSA-N 400.457 -0.212 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(NCCN3CCNC3=O)c([N+](=O)[O-])c2)CC1 1307210856 BHNISIPMQMQEKI-UHFFFAOYSA-N 412.472 -0.032 5 10 HBBE O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CCN2[C@H](CNS2(=O)=O)C1 1635665289 CNKAGZOANHEXLA-CQSZACIVSA-N 406.424 -0.186 5 10 HBBE CN(C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)C(=O)c1cc2c(ccc3ccccc32)oc1=O 1866408538 CRUKSHQRHLTLER-PBWTXFEYSA-N 417.414 -0.546 5 10 HBBE NS(=O)(=O)c1ccc(Nc2ncc([N+](=O)[O-])c(N3CCN(CCO)CC3)n2)cc1 1871302676 REGCDQFXZGWRGE-UHFFFAOYSA-N 423.455 -0.110 5 10 HBBE CC(=O)NCCNC(=O)[C@@H](CCC(N)=O)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 1861129546 ISMNODSDHZRJHW-VIIAAUOXSA-N 405.411 -0.389 5 10 HBBE O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1COCCN1CC(F)F 486288002 BFOFZCLXURUABZ-ZDUSSCGKSA-N 422.410 -0.045 5 10 HBBE O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2CCOC[C@@H]2C1 542713203 RVWRZWZFKLWRSR-AWEZNQCLSA-N 413.456 -0.401 5 10 HBBE NS(=O)(=O)CCN1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 1610962200 QVMWCGIELSSXSM-UHFFFAOYSA-N 422.261 -0.201 5 10 HBBE O=C1CO[C@@H]2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)C[C@H]2N1 1535198695 UOLBTPLZTUFMCO-BXUZGUMPSA-N 402.363 -0.022 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(N3C[C@H]4C(=O)NC(=O)[C@H]4C3)c([N+](=O)[O-])c2)CC1 1163346894 OCJVHHOOMLTSIG-BETUJISGSA-N 423.451 -0.760 5 10 HBBE O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCC12COCCN1CCOC2 1454286203 RBOJOBMOXLPDLP-UHFFFAOYSA-N 407.427 -0.389 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(N3C[C@H](O)[C@@H](CO)C3)c([N+](=O)[O-])c2)CC1 1458425896 CFPYVBKBKLCGDT-WBMJQRKESA-N 400.457 -0.680 5 10 HBBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C(=O)NC1CC1)=C(N)O2 1865719103 RSVIBEBJKZDHKX-LBPRGKRZSA-N 413.390 -0.035 5 10 HBBE COc1ccc(S(=O)(=O)N2CCN(C(=O)C3(O)COC3)CC2)cc1[N+](=O)[O-] 1618202343 MACSWSCEOSZJJY-UHFFFAOYSA-N 401.397 -0.802 5 10 HBBE O=C(CN1CCOCC1=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 790737100 JMKQLQGGJFEGCD-UHFFFAOYSA-N 406.395 -0.355 5 10 HBBE CN(CC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1556503583 YXCGYRPPOHYZCH-LSDHHAIUSA-N 412.468 -0.117 5 10 HBBE CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1538402035 NDCAKTAVMXTXRV-UHFFFAOYSA-N 420.469 -0.438 5 10 HBBE COC(OC)C(=O)N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1469992675 YJNIECQANZJQNK-UHFFFAOYSA-N 420.378 -0.520 5 10 HBBE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] 1470311104 DAOFUCQJGDAMTK-AAEUAGOBSA-N 408.342 -0.029 5 10 HBBE Cn1cc(N2CCN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cn1 1545242222 ILPQASPZHTXZPI-UHFFFAOYSA-N 408.440 -0.045 5 10 HBBE O=C(CN1CCOCC1=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 447899627 VGJROJIGDGJCSX-UHFFFAOYSA-N 412.424 -0.714 5 10 HBBE CS(=O)(=O)NC1CCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169898159 FFMURZCIHZAMCP-UHFFFAOYSA-N 410.408 -0.269 5 10 HBBE O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC(=S)NCCN2CCOCC2)c1 921143366 NKQVWCXVUDBTHI-UHFFFAOYSA-N 417.513 -0.331 5 10 HBBE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1OCCN(C)C1=O 1630189299 HIBNWPWVAWBZLQ-CYBMUJFWSA-N 400.413 -0.811 5 10 HBBE CNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1 543184233 DRWPDXFUIQVNRG-UHFFFAOYSA-N 400.413 -0.566 5 10 HBBE CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 1867784042 LVAPUZGBCQFWGQ-AAEUAGOBSA-N 407.427 -0.464 5 10 HBBE C[C@H]1CN2CCN1C[C@@H]2C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1452206541 SQXRJVZSBVKOLV-DZGCQCFKSA-N 411.484 -0.280 5 10 HBBE CC(=O)NCCNC(=O)[C@@H](CCC(N)=O)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1861123350 DCEAYQIJGVVYLU-SBJJXXPASA-N 405.411 -0.389 5 10 HBBE O=C(CN1C[C@@H](O)C2(CC2)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 494703206 MDMIXFPAQLNHGL-MRXNPFEDSA-N 424.479 -0.116 5 10 HBBE CNS(=O)(=O)c1ccc(N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c([N+](=O)[O-])c1 1472817631 WOWQNDXYICPCTC-AWEZNQCLSA-N 405.454 -0.103 5 10 HBBE CN(CC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1556503581 YXCGYRPPOHYZCH-GJZGRUSLSA-N 412.468 -0.117 5 10 HBBE CS(=O)(=O)NCCCC(=O)Nc1ccc(CC(=O)NCCO)cc1[N+](=O)[O-] 1860919132 DIQCWSRTNROEHI-UHFFFAOYSA-N 402.429 -0.486 5 10 HBBE CS(=O)(=O)N1CCN(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 611033061 RZMFDAHUEKWZTQ-UHFFFAOYSA-N 406.486 -0.409 5 10 HBBE Cn1c(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(=O)n(C)c1=O 11284073 KJUOYWUOZXPDRB-UHFFFAOYSA-N 423.451 -0.501 5 10 HBBE O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 749668871 AVTXPKYJVVBKHR-INIZCTEOSA-N 400.457 -0.177 5 10 HBBE O=C(OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1COC1 785771403 APWGHCVNWVUQBT-UHFFFAOYSA-N 413.408 -0.383 5 10 HBBE O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1COCCN1CC(F)F 489540879 QXFYAFXZKTZVFC-ZDUSSCGKSA-N 422.410 -0.045 5 10 HBBE COc1ccc(S(=O)(=O)N2CCN([C@H]3CCC(=O)NC3=O)CC2)cc1[N+](=O)[O-] 799106923 HUMDKOXKPWERIC-LBPRGKRZSA-N 412.424 -0.285 5 10 HBBE O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CC2(C[C@@H](O)CNC2=O)C1 1644588920 KBDVOADPHXDYTK-GHMZBOCLSA-N 408.436 -0.030 5 10 HBBE CN(CCO)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518129 RJERNHKXKGJAMM-UHFFFAOYSA-N 418.458 -0.460 5 10 HBBE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CCN1CCCS1(=O)=O 1654844641 KUJRRXJLTOAFJU-UHFFFAOYSA-N 406.486 -0.160 5 10 HBBE Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NC1CC1)=C(N)O2 1865720801 WYKGYXNRVFLILX-LBPRGKRZSA-N 413.390 -0.035 5 10 HBBE COc1ccc(NC(=O)[C@H](CO)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1866586136 ISIXXVPOVYGVAS-JQWIXIFHSA-N 415.424 -0.156 5 10 HBBE C[C@H](O)CN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 428503126 MDWFQFCTUJBKLH-ZDUSSCGKSA-N 400.457 -0.212 5 10 HBBE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1570631894 APPAZAHFMDMMTA-LBPRGKRZSA-N 413.456 -0.549 5 10 HBBE O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1858424490 RECUNYAQZXWDAN-NEPJUHHUSA-N 417.465 -0.091 5 10 HBBE Cc1c(N=c2[nH]c(N(CCO)CCO)nc(=NC[C@H](C)O)[nH]2)cccc1[N+](=O)[O-] 1871645443 KXUQLDUAGDLKLU-NSHDSACASA-N 407.431 -0.741 5 10 HBBE CCCn1cc([N+](=O)[O-])c(=O)n(C[C@H](O)CN2C(=O)c3ccccc3C2=O)c1=O 2140902936 ZDDGDSFFMLVNAR-LLVKDONJSA-N 402.363 -0.015 5 10 HBBE Cn1[nH]c([N+](=O)[O-])nc1=NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2162418791 WLOYBZPCYZAZJI-JTQLQIEISA-N 404.449 -0.019 5 10 HBBE CC(C)(C)OC(=O)N1C[C@H](N=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])[C@H](S(C)(=O)=O)C1 2192663124 LDCBOOXPJJFJCX-WCBMZHEXSA-N 402.433 -0.336 5 10 HBBE CN(CCCO)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 440971422 ZKFSOJJSWIINJB-UHFFFAOYSA-N 400.457 -0.258 5 10 HBBE CN(C)S(=O)(=O)c1ccc(N2CCN3CCOC[C@]3(CO)C2)c([N+](=O)[O-])c1 1187716769 NEGIWMGNTXPGIO-MRXNPFEDSA-N 400.457 -0.272 5 10 HBBE O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CCN2[C@@H](CNS2(=O)=O)C1 1558508339 PUZVVFZMCZFQLH-NSHDSACASA-N 410.387 -0.106 5 10 HBBE NC(=O)CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCCCNC=O 1861027570 CVKKAUFIQTZALM-LBPRGKRZSA-N 413.818 -0.136 5 10 HBBE NS(=O)(=O)NCCNC(=O)c1ccc(I)c([N+](=O)[O-])c1 2296131677 QCWDAMMPEIVCGS-UHFFFAOYSA-N 414.181 -0.278 5 10 HBBE CN1C(=O)[C@@H]2CN(C(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)C[C@@H]2C1=O 1438541699 FNTMQICRJMTFRC-PHIMTYICSA-N 400.347 -0.065 5 10 HBBE CN1CCN(C2CN(C(=O)CN(C)S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 1448686855 PFFQADNSZGSJHM-UHFFFAOYSA-N 411.484 -0.327 5 10 HBBE O=C(NC[C@]12COCCN1C(=O)COC2)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1313167680 PNLXTXFWZPCWGZ-GOSISDBHSA-N 420.426 -0.551 5 10 HBBE Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCN(CC(=O)N4CCOCC4)CC3)cc21 585702317 YFZBWSKLROLVPB-UHFFFAOYSA-N 418.454 -0.234 5 10 HBBE NC(=O)CC[C@@H](NC(=S)NCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)O 585858835 SAVXUENINBATFC-ZHAHRWAOSA-N 423.451 -0.093 5 10 HBBE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CN1CCOCC1=O 1639347093 BJFUQMYDQOXUCS-UHFFFAOYSA-N 400.413 -0.810 5 10 HBBE Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCCN2CCOCC2)ccc1[N+](=O)[O-] 1861819259 HLJLSVSKUNUUFF-DOTOQJQBSA-N 406.439 -0.073 5 10 HBBE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Cn2c([N+](=O)[O-])cnc2C)C1 1524954482 CBGWJRUFURXMID-CYBMUJFWSA-N 403.461 -0.001 5 10 HBBE O=[N+]([O-])c1sc(NC[C@H]2CN3CCN2CC3)nc1NC[C@H]1CN2CCN1CC2 301771574 JRVHUVBCWGCEOI-KBPBESRZSA-N 408.532 -0.125 5 10 HBBE O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)CN3CCOCC3)CC2)cc1 501699151 HYAYBSDICIPJRG-MRXNPFEDSA-N 414.484 -0.406 5 10 HBBE C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CCN1C 1565833206 HUMURQNEKNAOBJ-BBRMVZONSA-N 413.500 -0.034 5 10 HBBE O=C(O)CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CS(=O)(=O)C[C@@H]1O 1866356083 VMGZCXCCGDPXRA-QWRGUYRKSA-N 403.325 -0.812 5 10 HBBE C[S@](=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 735103609 NUFJOFNQRFRARI-VWLOTQADSA-N 404.470 -0.011 5 10 HBBE COc1ccc(C(=O)CNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] 1635395889 AWDPNRNTJWNARK-UHFFFAOYSA-N 414.440 -0.521 5 10 HBBE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@@H](O)CN1CCOCC1 541338808 MDHDOMUFYXJFLA-CYBMUJFWSA-N 417.440 -0.305 5 10 HBBE Cc1c(N=c2[nH]c(N3CCN(CCO)CC3)nc(=NCCO)[nH]2)cccc1[N+](=O)[O-] 1871645321 NCVNZVNJIVPEFY-UHFFFAOYSA-N 418.458 -0.806 5 10 HBBE Cn1[nH]c(=NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)nc1[N+](=O)[O-] 2371132696 FNBJMDJNQRIZNU-SNVBAGLBSA-N 404.449 -0.019 5 10 HBBE COC(=O)CCN(CC(=O)OC)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 170209922 XXPAOTNGNRTWJK-UHFFFAOYSA-N 407.335 -0.245 5 10 HBBE CC(=O)NCCN=c1nc(N(C)CCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871645706 RMUBVZHBLOCCNA-UHFFFAOYSA-N 404.431 -0.348 5 10 HBBE CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC2)CC1 1141571827 KTRJKZDOVQUFJJ-UHFFFAOYSA-N 412.472 -0.573 5 10 HBBE CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])[C@@H](CO)C1 1458519842 ZGCAVWJYBBWVID-CYBMUJFWSA-N 400.457 -0.272 5 10 HBBE O=C(CCCNC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)NC1CC1 1867833589 MFXLNBHYOJLLPL-CQSZACIVSA-N 423.382 -0.231 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(N3CC4(CNC(=O)O4)C3)c([N+](=O)[O-])c2)CC1 1559217480 LZSGHESZXYRLGE-UHFFFAOYSA-N 411.440 -0.171 5 10 HBBE C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)CN1CCO 1626823467 WZJLBLTXMWXDDW-STQMWFEESA-N 400.457 -0.213 5 10 HBBE COC1(OC)CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O 1299814395 JHTKBDGKFMIECU-AWEZNQCLSA-N 417.440 -0.202 5 10 HBBE COC1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CS(=O)(=O)C1 1441419954 RUWXNMZSMODMSV-UHFFFAOYSA-N 403.438 -0.246 5 10 HBBE Nc1c(C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc(Br)cc1[N+](=O)[O-] 1635665496 GRBWQRYIRMSVJD-QMMMGPOBSA-N 420.245 -0.086 5 10 HBBE COC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 476902552 ZSDNJBZQOQJNIQ-UHFFFAOYSA-N 414.440 -0.420 5 10 HBBE O=[N+]([O-])c1cccc(N=c2[nH]c(N(CCO)CCO)nc(=NC[C@@H]3CCCO3)[nH]2)c1 1871518348 WKHBSVYZKXZKPO-HNNXBMFYSA-N 419.442 -0.251 5 10 HBBE Cn1cnc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1=O 1628339745 GDKWZEWMCBYUIU-UHFFFAOYSA-N 407.408 -0.165 5 10 HBBE O=C(CC1CS(=O)(=O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1628339797 HMZRDMHCQMIBEX-UHFFFAOYSA-N 417.465 -0.138 5 10 HBBE COCCN(CCOC)c1nc(=NCCO)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871521781 UKEILCHWHFTHSU-UHFFFAOYSA-N 407.431 -0.129 5 10 HBBE CS(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)cc1[N+](=O)[O-] 1558840330 IWYHVBNMZZWVLF-SUMWQHHRSA-N 413.452 -0.046 5 10 HBBE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1537268604 YBQPWSDYCKOCNY-LBPRGKRZSA-N 406.351 -0.838 5 10 HBBE C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCN1S(C)(=O)=O 1147364262 KQBOBIIZYNGSAP-LLVKDONJSA-N 412.424 -0.188 5 10 HBBE O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1626574401 SPOUORLSILRQGJ-HIFRSBDPSA-N 401.416 -0.110 5 10 HBBE O=C1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2(CN1)COC2 1473751424 JBBCLNBYNBGPHP-UHFFFAOYSA-N 403.439 -0.166 5 10 HBBE COc1nc(CNC(=O)c2cc([N+](=O)[O-])c(=O)n(C)c2)nc(N2CCOCC2)n1 1890820406 IDQSRSCBKCHUQY-UHFFFAOYSA-N 405.371 -0.746 5 10 HBBE C[C@@H]1CN(CCO)CCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1142103744 TVHPGOHBIRPCHB-CYBMUJFWSA-N 400.457 -0.212 5 10 HBBE CN(C)C[C@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1634876105 CYCXQQFFCWAFCN-IUODEOHRSA-N 400.457 -0.213 5 10 HBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(S(=O)(=O)C2CC2)CC1 1629555405 VXVKBEWQUNJBPA-UHFFFAOYSA-N 422.419 -0.173 5 10 HBBE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@]1(C)C[C@H](O)CN1C 1639347830 RNQJBXGNIFXGFR-XJKSGUPXSA-N 400.457 -0.213 5 10 HBBE NC(=O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCN1CCOCC1 1861030536 VSUDYGDCVDLHSJ-OAHLLOKOSA-N 407.427 -0.593 5 10 HBBE CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1624618021 NEPCEEUTDLJJBY-UHFFFAOYSA-N 419.485 -0.321 5 10 HBBE CS(=O)(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 603615903 IQRNKMHNUHYVHI-UHFFFAOYSA-N 405.454 -0.138 5 10 HBBE C[C@H]1[C@@H](O)CCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1194385649 RVRUDQSMLNWGGZ-BBRMVZONSA-N 412.468 -0.117 5 10 HBBE CCOC(=O)[C@@H](CC(N)=O)NC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866024447 XUPHZGAIGFZSLU-LLVKDONJSA-N 420.378 -0.106 5 10 HBBE COCC(=O)N1CCC(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169871654 IXAYSTMVBLMYLA-UHFFFAOYSA-N 404.379 -0.056 5 10 HBBE CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO[S@](=O)O)[C@H](O)[C@H]1O 616582031 JFJMWZOIBBVKNU-IKOXMDCHSA-N 406.369 -0.922 5 10 HBBE O=C(CN1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1)N1CCOCC1 768792975 HGBVYXWFRZMKRX-UHFFFAOYSA-N 404.470 -0.179 5 10 HBBE CN1CCN(S(=O)(=O)c2ccc(N3CCN(C)[C@@H](CO)C3)c([N+](=O)[O-])c2)CC1 1559253493 AOADZIDFGQLATK-CQSZACIVSA-N 413.500 -0.356 5 10 HBBE CN1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O 546026246 QMXFDIRTSOJAFE-CQSZACIVSA-N 411.440 -0.159 5 10 HBBE C[C@@H]1CN2CCN1C[C@H]2C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1142426792 RKZDJILSQRNGEC-CJNGLKHVSA-N 411.484 -0.280 5 10 HBBE CS(=O)(=O)NCCCC(=O)NCC(=O)NCCNc1ccccc1[N+](=O)[O-] 1859183933 RYDZGIQXCXJMIY-UHFFFAOYSA-N 401.445 -0.432 5 10 HBBE Cn1cc(CN([C@@H]2CCNC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O 725373811 CSELRYLOZRXHTO-CYBMUJFWSA-N 423.451 -0.455 5 10 HBBE O=C1NC(=O)N2CCN(C(=O)CN3C(=O)C(F)(F)c4cc([N+](=O)[O-])ccc43)C[C@H]12 1294124511 ZYUMALOOUZDVGF-LLVKDONJSA-N 409.305 -0.204 5 10 HBBE CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 609490111 SKXRJZOVCDUZLU-NSHDSACASA-N 400.413 -0.104 5 10 HBBE CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 742320700 IBNNATMBLGHTQY-UHFFFAOYSA-N 401.397 -0.001 5 10 HBBE CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 917389005 VDIJKJMSDXGUKH-UHFFFAOYSA-N 413.456 -0.347 5 10 HBBE O=C(N=c1nnc(CCC(=O)N2CCOCC2)c(O)[nH]1)c1ccc([N+](=O)[O-])cc1 1859134989 YPUBNGIBZNZCOM-UHFFFAOYSA-N 402.367 -0.049 5 10 HBBE O=C(N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O)c1c[nH]c2c(ccc3ccccc32)c1=O 1866076948 XEWLBRATFKSMQA-TZVLKLNCSA-N 400.387 -0.789 5 10 HBBE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1584366730 XBEHJCNGXVOZRS-HNNXBMFYSA-N 404.427 -0.235 5 10 HBBE O=[N+]([O-])c1cccc([C@H](O)CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 749668873 AVTXPKYJVVBKHR-MRXNPFEDSA-N 400.457 -0.177 5 10 HBBE Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)n1 1447981432 MJYGSQDACWUAQD-UHFFFAOYSA-N 414.366 -0.081 5 10 HBBE COC(=O)CNC(=O)CCNC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1867757329 BRRNWJIOIUUHQI-UHFFFAOYSA-N 400.775 -0.227 5 10 HBBE CN(CCN1CCCS1(=O)=O)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 610618647 PPNYPUNGWCNXLC-UHFFFAOYSA-N 410.408 -0.315 5 10 HBBE CC(C)(C)OC(=O)NCC(CO)(CO)NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 2280493680 IYWCGGTXXVIFRL-UHFFFAOYSA-N 406.417 -0.484 5 10 HBBE O=C(CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)N1CC2(C[C@H](O)CNC2=O)C1 1595698428 HAORPANASXKVOC-JTQLQIEISA-N 410.333 -0.257 5 10 HBBE O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C[C@H](O)CN2CCOCC2)CC1 26711648 QWKWOTNZVCTMPJ-HNNXBMFYSA-N 414.484 -0.406 5 10 HBBE CNC(=O)CN1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 1645057443 ZYRGYYPAGWXZDC-UHFFFAOYSA-N 403.395 -0.529 5 10 HBBE O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCN2CCOC[C@]2(CO)C1 1558531911 AUPFESISMKXXPB-LJQANCHMSA-N 406.439 -0.050 5 10 HBBE COc1ccc(C(=O)NCCNC(=S)N[C@@H](CC(=O)O)C(=O)O)cc1[N+](=O)[O-] 585866081 CDQRKFVTGSFPRD-VIFPVBQESA-N 414.396 -0.275 5 10 HBBE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 1539378505 OVQHYMISIUXBON-OAHLLOKOSA-N 406.395 -0.113 5 10 HBBE O=C([C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)N1CCN2CCOC[C@]2(CO)C1 1456231355 CCVNCMLUBQZLBQ-FZKQIMNGSA-N 408.411 -0.302 5 10 HBBE O=C1NC(=O)[C@H]2CN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])C[C@@H]12 1655496272 DZBKNSOKVMHTDE-TXEJJXNPSA-N 410.408 -0.676 5 10 HBBE CC(C)(C)OC(=O)N1C[C@@H](N=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])[C@H](S(C)(=O)=O)C1 2192663122 LDCBOOXPJJFJCX-PSASIEDQSA-N 402.433 -0.336 5 10 HBBE CN1CCN(CC2CN(C(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])C2)CC1 1159366549 OPDFSAJFUMAOGO-UHFFFAOYSA-N 411.484 -0.421 5 10 HBBE O=C(NC[C@@H]1COCO1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1565250454 FVBNYBFZTXRSAL-CYBMUJFWSA-N 400.413 -0.016 5 10 HBBE O=C1NCCn2c(CNC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)nnc21 1684896887 CSHXGUAQPGIPFX-UHFFFAOYSA-N 400.399 -0.039 5 10 HBBE O=C1NCCn2c(CNC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nnc21 1684992102 YPTUIAOYPGEHBR-UHFFFAOYSA-N 400.399 -0.039 5 10 HBBE CC1(CCNC(=O)[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)OCCO1 1867834087 QJWRPEKLFYVZRE-CYBMUJFWSA-N 412.355 -0.137 5 10 HBBE CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3cnc(N)c([N+](=O)[O-])c3)CC2)CC1 1542905825 GBUAGFKJUNNNIH-UHFFFAOYSA-N 419.486 -0.118 5 10 HBBE CN1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1586931574 AEYYIJUHPZBGGJ-YOEHRIQHSA-N 412.468 -0.117 5 10 HBBE NS(=O)(=O)c1cc(N2CCN(CC(=O)N3CCOCC3)CC2)cc([N+](=O)[O-])c1 603929308 KXJQZUJJNBSFNR-UHFFFAOYSA-N 413.456 -0.777 5 10 HBBE Cc1c([N+](=O)[O-])cc(C(=O)N(CC(=O)O)[C@H]2CS(=O)(=O)C[C@H]2O)cc1[N+](=O)[O-] 1866361183 WLKZRKFSAGDLKP-NWDGAFQWSA-N 417.352 -0.504 5 10 HBBE COC(=O)[C@@H](CS(=O)(=O)N1CC([N+](=O)[O-])C1)NC(=O)OCc1ccccc1 2249438391 SBDIDPDKFOZWME-CYBMUJFWSA-N 401.397 -0.255 5 10 HBBE CC(=O)NCCCCNC(=O)[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1867835057 ZNWBJJLIVAPGBM-AWEZNQCLSA-N 411.371 -0.374 5 10 HBBE O=C(CNC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCOCC1 1469600323 GODLOXNVNSXBBX-UHFFFAOYSA-N 405.411 -0.079 5 10 HBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCCN2CCO 1456855454 NBSCEEKWAVKAJH-KGLIPLIRSA-N 412.468 -0.069 5 10 HBBE CN(C)CCN1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1=O 1586572225 YTFDVRMNUPELBF-UHFFFAOYSA-N 405.411 -0.447 5 10 HBBE Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)NC1CC1)=C(N)O2 1865720800 WYKGYXNRVFLILX-GFCCVEGCSA-N 413.390 -0.035 5 10 HBBE COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1873700260 YWWAPRIJAWZUIR-ZDUSSCGKSA-N 401.335 -0.186 5 10 HBBE O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CCN2CCOC[C@@]2(CO)C1 1156867201 RKTDEUWPPMPMDX-IBGZPJMESA-N 418.406 -0.233 5 10 HBBE COc1ccc(C(=O)NCC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] 1641150942 DFPBPWXODWWLEM-UHFFFAOYSA-N 409.443 -0.188 5 10 HBBE O=C(O)c1cc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1[N+](=O)[O-] 581003477 ZFJMFKSJOKAKBP-UHFFFAOYSA-N 400.413 -0.008 5 10 HBBE CN1C(=O)[C@@H]2CN(C(=O)CN(C)S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1=O 1132361383 DLTWENVNXLGPNF-BETUJISGSA-N 410.408 -0.712 5 10 HBBE Cn1nccc1CN1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1648087119 MMSHCGNVCVCZGH-UHFFFAOYSA-N 422.467 -0.049 5 10 HBBE O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@H](O)Cn1ccccc1=O 1891382350 PFRNHDOQLXGPHH-NSHDSACASA-N 400.347 -0.470 5 10 HBBE NC(=O)C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CCOCC1 1861124469 QDPIYXFQCGEADN-DWTRPJMMSA-N 419.438 -0.583 5 10 HBBE CN(C)CCCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 1137204202 AOUNIKGFBLTTFI-CYBMUJFWSA-N 400.457 -0.276 5 10 HBBE O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCC[C@@H]2O)CC1 1627471258 IYJNWZLAGBOHKN-ZFWWWQNUSA-N 412.468 -0.069 5 10 HBBE O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCN2[C@@H](CNS2(=O)=O)C1 1651447105 XBGOJFHICKIMOU-QMMMGPOBSA-N 412.396 -0.070 5 10 HBBE COCCCS(=O)(=O)NCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1141817686 BPDKGPDMNHDLTR-UHFFFAOYSA-N 401.445 -0.406 5 10 HBBE CN(C)CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1623692346 FADVHBVMVWTBGF-UHFFFAOYSA-N 413.456 -0.895 5 10 HBBE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](N=c2[nH]c(=N)[nH]cc2[N+](=O)[O-])C1 2192663123 LDCBOOXPJJFJCX-SCZZXKLOSA-N 402.433 -0.336 5 10 HBBE