smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COCCN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1C 117294782 HJWDHBJLZNPOEB-LLVKDONJSA-N 311.342 -0.030 5 20 DBBD CCN(CC(N)=O)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 189707164 KKMJIWCZXPWKHH-UHFFFAOYSA-N 322.277 -0.164 5 20 DBBD NC(=O)C[C@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 237914916 JZYKZLXMWXXIPA-JTQLQIEISA-N 321.337 -0.554 5 20 DBBD Cc1ccc([N+](=O)[O-])c(=O)n1Cc1cc(=O)n(C)c(=O)n1C 276267310 UKSQBEDBNYSWOQ-UHFFFAOYSA-N 306.278 -0.489 5 20 DBBD NC(=O)[C@]1(O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 276298122 KBZUADCZTIWSIF-NSHDSACASA-N 315.307 -0.794 5 20 DBBD O=C(CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCCCC1 317412523 NIRYCHBIGJBJHD-GFCCVEGCSA-N 311.342 -0.246 5 20 DBBD O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC(=O)N2CCCC[C@H]12 338091299 MEXXZYIWYVJILJ-DTWKUNHWSA-N 308.298 -0.544 5 20 DBBD C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])S(N)(=O)=O 350622365 ZNURCOACNZSZNB-QMMMGPOBSA-N 317.323 -0.233 5 20 DBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)c1ccc(O)c([N+](=O)[O-])c1 436804958 CMANXCCYQCLXOR-SECBINFHSA-N 323.261 -0.586 5 20 DBBD CNS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC 440173204 HZHFOUMEIZIDOG-UHFFFAOYSA-N 317.323 -0.118 5 20 DBBD CNc1nccc(C(=O)NC[C@@](C)(O)CCOC)c1[N+](=O)[O-] 563387582 YMKLBSVAFYOZQD-ZDUSSCGKSA-N 312.326 0.549 5 20 DBBD CC(C)(C)NS(=O)(=O)CCNC(=O)c1c[nH]nc1[N+](=O)[O-] 570690195 VFTKVRNIUTWESI-UHFFFAOYSA-N 319.343 -0.234 5 20 DBBD CC1=NNC(=O)[C@H]1CCNC(=O)c1cnc(O)c([N+](=O)[O-])c1 571505844 IZQPNHXXSODLHK-QMMMGPOBSA-N 307.266 -0.063 5 20 DBBD COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NC1CNC1 571659419 SNYBLTAYEJUPJT-UHFFFAOYSA-N 308.294 -0.692 5 20 DBBD CN1C[C@H](N(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1=O 581288870 PDDYCUIKHDDHBC-PWSUYJOCSA-N 311.342 -0.295 5 20 DBBD O=[N+]([O-])c1cnn(C[C@H](O)CNCCOC[C@@H]2CCOC2)c1 591734946 MLXTXGZJKSWPPO-DGCLKSJQSA-N 314.342 -0.205 5 20 DBBD NS(=O)(=O)c1ccc(NC[C@@H]2CCC(=O)N2)c([N+](=O)[O-])c1 596496390 CKTBDIOXQKNXPM-ZETCQYMHSA-N 314.323 -0.067 5 20 DBBD C[C@@H](C[N+](=O)[O-])OC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 814042641 YTFMWNOQYUIHMT-LURJTMIESA-N 308.250 -0.144 5 20 DBBD CCNC(=O)C1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 821286881 YWBAUTFZJXTVHF-UHFFFAOYSA-N 318.297 -0.258 5 20 DBBD Cn1cnn(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c1=O 840152508 NLCVLPGVHYPSIE-UHFFFAOYSA-N 319.325 -0.335 5 20 DBBD COC(=O)CCN(CC(OC)OC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 840417608 QRGNOBLETRYKRB-RKDXNWHRSA-N 304.299 -0.338 5 20 DBBD CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)C(N)=O 862715724 HQNRDUIZZCNDEA-QMMMGPOBSA-N 313.339 -0.091 5 20 DBBD O=C(C(F)F)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 965376433 QXERATWHAYKZKK-HTQZYQBOSA-N 319.264 -0.644 5 20 DBBD O=C(N[C@H]1C[C@H](NC(=O)C23CCN(CC2)C3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 973253468 XOGFFXHOXLIHOS-DDHJBXDOSA-N 322.365 -0.489 5 20 DBBD CCn1cc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 1086363289 LZUXYULCILTGKW-FPQZTECRSA-N 322.369 -0.052 5 20 DBBD Cn1cnc(C(=O)NCCNc2ncc([N+](=O)[O-])c(N)n2)c1 1093582654 BZZBAMFMYVLJIJ-UHFFFAOYSA-N 306.286 -0.458 5 20 DBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN2C(=O)NC[C@@H]2C1 1318998886 UAWGCVHYVPVSKZ-SECBINFHSA-N 308.298 -0.664 5 20 DBBD COCC(=O)N1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 1525752289 UNUAKQICFNSPDN-VIFPVBQESA-N 312.330 -0.552 5 20 DBBD O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N1CCC(CO)(CO)C1 1593481030 OHXMTNPJGFXMBH-UHFFFAOYSA-N 320.309 -0.044 5 20 DBBD COC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 50102257 JSILQKUEDCBEOO-SECBINFHSA-N 318.307 -0.452 5 20 DBBD O=C(CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)NCCO 269551701 OHXLRMIJBVMUMX-UHFFFAOYSA-N 320.305 -0.226 5 20 DBBD O=C(CN1C[C@H](O)[C@H](O)C1)N1CCc2cc([N+](=O)[O-])ccc21 278873091 SSQKBVBIJWXFQC-BETUJISGSA-N 307.306 -0.479 5 20 DBBD COC(=O)CNC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O 341920700 XUJFZRLPZJRNQR-UHFFFAOYSA-N 320.261 -0.406 5 20 DBBD C[C@H](NC(=O)N=c1cc[nH]cc1[N+](=O)[O-])C(=O)N1CCOCC1 359031895 YPPKEJDATBGHBT-VIFPVBQESA-N 323.309 -0.220 5 20 DBBD O=C1NC(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C[C@H]12 436973116 ROAYOJOAXBAESF-SECBINFHSA-N 320.261 -0.323 5 20 DBBD CNS(=O)(=O)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C 440177766 UHFSYYYCTYPLRR-UHFFFAOYSA-N 319.343 -0.845 5 20 DBBD CCn1cnnc1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] 567484623 UWIVPXCGELKRQJ-UHFFFAOYSA-N 305.298 0.573 5 20 DBBD CCn1cc(S(=O)(=O)N[C@H](CF)C(=O)O)c([N+](=O)[O-])n1 567809430 UFCQYDZNYVTEDR-RXMQYKEDSA-N 310.263 -0.488 5 20 DBBD O=C(O)c1ccnc(NC[C@H](O)Cn2ccnn2)c1[N+](=O)[O-] 592980154 HHWXHSUCIVJRQB-ZETCQYMHSA-N 308.254 -0.248 5 20 DBBD O=C1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCCN1 726801150 SEGULUYVQFHSPT-UHFFFAOYSA-N 320.305 -0.327 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC(=O)[C@H]1CCOC1 762880424 GXAHBGJRKCTIMM-VIFPVBQESA-N 310.262 -0.095 5 20 DBBD O=C(CCn1cc([N+](=O)[O-])cn1)OCCn1cnccc1=O 816276896 RULFXPRHAPPXHG-UHFFFAOYSA-N 307.266 -0.019 5 20 DBBD CNc1nccc(C(=O)NN2CC(=O)N(C)C2=O)c1[N+](=O)[O-] 847639104 VCQDXMOZMNWSTO-UHFFFAOYSA-N 308.254 -0.430 5 20 DBBD COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCN2CCOC2=O)c1 915123720 VWUOYYNZIQUEQT-UHFFFAOYSA-N 311.250 -0.005 5 20 DBBD Cn1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 978840792 JGCMVAKKFZZPFE-DTHBNOIPSA-N 321.337 -0.290 5 20 DBBD COc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)on1 1001515613 NPLXTKAWAJWXIS-RKDXNWHRSA-N 324.293 -0.463 5 20 DBBD Cc1cc(NC(=O)CNCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1 1126936421 GSZCGPPPRYOMRF-RKDXNWHRSA-N 311.298 -0.707 5 20 DBBD Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccnn1C 1155480917 VIUBCWNGGMBNPA-UHFFFAOYSA-N 321.341 -0.029 5 20 DBBD C[C@@H]1c2nncn2CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 1255739758 DDOCDXSKWKWCTE-MWLCHTKSSA-N 307.314 -0.180 5 20 DBBD C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1nncn1C 1320654549 LIHWPPTWOUXLDV-VIFPVBQESA-N 320.309 -0.195 5 20 DBBD Cc1nnc(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)n1C 1320675935 TVBXWFKGSQAQPD-UHFFFAOYSA-N 307.314 -0.023 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1)Nc1cccnn1 1592937446 BETLMMSFCQGGLK-UHFFFAOYSA-N 316.241 -0.600 5 20 DBBD O=C(O)[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 1594941259 FEUWQRBDWJWRFZ-WDEREUQCSA-N 310.262 -0.060 5 20 DBBD O=C(O)C[C@@]1(NCCn2cc([N+](=O)[O-])ccc2=O)CCOC1 1610758054 HBYFJQMTPZFGHL-ZDUSSCGKSA-N 311.294 -0.020 5 20 DBBD CNC(=O)NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 3514470 PCYYHLSITIYQPQ-UHFFFAOYSA-N 306.234 -0.354 5 20 DBBD CS(=O)(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 48552822 URAWSTSOLXQZSY-UHFFFAOYSA-N 302.316 -0.951 5 20 DBBD O=C(CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)NCCO 272322815 JZQAGAMZERDYHA-UHFFFAOYSA-N 317.248 -0.089 5 20 DBBD O=C(CNC(=O)c1cnc(O)c([N+](=O)[O-])c1)NCC(F)F 280277760 RTEYEHPQNZALCO-UHFFFAOYSA-N 304.209 -0.194 5 20 DBBD NS(=O)(=O)c1ccc(OC[C@@H]2CNC(=O)O2)c([N+](=O)[O-])c1 298076796 JCJGNCDSXMUAGG-LURJTMIESA-N 317.279 -0.271 5 20 DBBD CN(C)C(=O)CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] 299530896 QUWXSQUMDUYPHH-UHFFFAOYSA-N 309.278 -0.010 5 20 DBBD CN1CC[C@@H]2OCCN(C(=O)c3nn(C)cc3[N+](=O)[O-])[C@@H]2C1 332012869 RCCFPADMKAKNSQ-KOLCDFICSA-N 309.326 -0.127 5 20 DBBD O=C(CN1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCCC1 373945766 RSYDOBCDUBVEQA-CHWSQXEVSA-N 324.381 -0.192 5 20 DBBD NC(=O)[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCO1 522107291 GMOAXUKGVKCIGZ-NSHDSACASA-N 323.261 -0.350 5 20 DBBD C[C@H](N)C[C@H](C)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 563144128 PHZHGRMUKLYGOC-IUCAKERBSA-N 312.330 -0.851 5 20 DBBD O=C(O)[C@H](O)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] 571060183 BJLXMTYBUIKIMG-SNVBAGLBSA-N 318.307 -0.498 5 20 DBBD Cn1[nH]c(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc1=O 577661493 NBTKXQOQMNWYFB-UHFFFAOYSA-N 319.325 -0.266 5 20 DBBD CNS(=O)(=O)CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] 600664971 COWPJUHPPQVITM-UHFFFAOYSA-N 317.327 -0.759 5 20 DBBD Cc1nn(CCC(=O)OCC(=O)NC(N)=O)c(C)c1[N+](=O)[O-] 726648240 YQHUZNLONALQJD-UHFFFAOYSA-N 313.270 -0.464 5 20 DBBD CN(CCS(C)(=O)=O)C(=O)c1cnc(O)c([N+](=O)[O-])c1 776344208 OEDHUHWWUMYGEL-UHFFFAOYSA-N 303.296 -0.188 5 20 DBBD CNC(=O)[C@H](O)CN=c1c(Br)c[nH]cc1[N+](=O)[O-] 808047917 XRURWMDILMTNGP-SSDOTTSWSA-N 319.115 -0.307 5 20 DBBD C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 834375920 KTAIQFPNJSXIIM-HQBQHRAMSA-N 314.298 -0.674 5 20 DBBD CC[C@H](C)[C@@H](NC(=O)COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)OC 840672886 ZHSSPUOKWYAPPN-YSSBGUOXSA-N 316.310 -0.101 5 20 DBBD CCn1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 954239235 ANXPJOSNAWRQSE-MWLCHTKSSA-N 322.325 -0.754 5 20 DBBD O=C(NC1CN(C(=O)CCc2cn[nH]c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991290611 MFZRHWYUDPUGNR-GHMZBOCLSA-N 307.310 -0.666 5 20 DBBD COc1ccc(CN2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 1042705470 SCPGLZUCJWOWPF-VXGBXAGGSA-N 321.337 -0.207 5 20 DBBD O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CC(=O)N(C2CC2)C1 1116517014 JVFSQBDDSLLZFA-SECBINFHSA-N 307.310 -0.082 5 20 DBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](C(=O)N2CCCC2)C1 1117574016 FXICXRPLQVPWMB-JTQLQIEISA-N 322.325 -0.343 5 20 DBBD CC(C)NC(=O)CN1CCN(c2c([N+](=O)[O-])ncn2C)CC1 29848221 VLRJXSXDQVEAMR-UHFFFAOYSA-N 310.358 -0.025 5 20 DBBD CC(=O)N1CCN(C(=O)[C@@H](C)n2ncc([N+](=O)[O-])c2N)CC1 127563108 IVEZFYOGBYHDGK-MRVPVSSYSA-N 310.314 -0.375 5 20 DBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 156828977 YMZCATAWLNGAFP-ONGXEEELSA-N 311.342 -0.065 5 20 DBBD NC(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)O1 268346425 DNSCUTLHHPPRSJ-GZMMTYOYSA-N 308.294 -0.060 5 20 DBBD C[C@H](O)CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H](C)CO 276810228 UXUIUNPXNDKXPX-ZJUUUORDSA-N 315.330 -0.436 5 20 DBBD COCCN1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1=O 282476237 OIABNSRGRMMEHS-UHFFFAOYSA-N 311.298 -0.544 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 369122724 UCXBDSBWPPTTJG-AQZXDCIVSA-N 319.317 -0.016 5 20 DBBD CC(=O)NC[C@@H]1CN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CCO1 445000387 ZBWLNRDWXKJEDJ-SNVBAGLBSA-N 324.293 -0.328 5 20 DBBD CNc1nc(C(=O)NC[C@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] 456076635 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Cc1nn(C)c(C(=O)NC[C@@H]2CCCS2(=O)=O)c1[N+](=O)[O-] 1324673464 RHSXLMNJUATDOR-QMMMGPOBSA-N 316.339 -0.056 5 20 DBBD CN1CCC[C@H](Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1=O 1327429964 LASIIMHOTRLLCM-MRVPVSSYSA-N 308.294 -0.276 5 20 DBBD COC[C@@]1(C(=O)O)CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 1593979618 DOIPNWDYAYACGS-LLVKDONJSA-N 314.254 -0.740 5 20 DBBD CCn1nc(C)c([N+](=O)[O-])c1N1CCN2C(=O)C(=O)NC[C@@H]2C1 192669649 MMDILKOAYLTPMC-SECBINFHSA-N 322.325 -0.733 5 20 DBBD C[C@@H](CN)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 262460843 JUMXSFDDHJXRLE-ZETCQYMHSA-N 317.323 -0.009 5 20 DBBD CNC(=O)c1ccc(N2CCO[C@@H](C(=O)NC)C2)c([N+](=O)[O-])c1 273284236 YMMXEOBZJCIVST-GFCCVEGCSA-N 322.321 -0.094 5 20 DBBD NS(=O)(=O)CCCNC(=O)c1ccc([N+](=O)[O-])cc1O 274602210 FGIKGOKCEIMZPH-UHFFFAOYSA-N 303.296 -0.291 5 20 DBBD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](O)[C@H](O)C1 277499536 MJQIDFHICGTBIR-PHIMTYICSA-N 316.335 -0.117 5 20 DBBD O=[N+]([O-])c1cccc(S(=O)(=O)N2CCOC[C@@H](O)C2)c1 295380372 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Cc1cc(N2C[C@@H](O)[C@H](CO)C2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] 1592000379 DVQYFCNRSQGQDJ-GZMMTYOYSA-N 320.309 -0.127 5 20 DBBD O=C(O)c1cc(C(=O)N2C[C@H](O)[C@@H](CO)C2)cc([N+](=O)[O-])c1 1602244146 QOLVECIEEIJVTA-KOLCDFICSA-N 310.262 -0.282 5 20 DBBD CN(CCNS(C)(=O)=O)c1ncc(C(=O)O)cc1[N+](=O)[O-] 1606133419 VZFCXGCRBQOWRE-UHFFFAOYSA-N 318.311 -0.327 5 20 DBBD CN(CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)CC(N)=O 1753820346 UJACVRFBWKQSJH-VXGBXAGGSA-N 312.370 -0.303 5 20 DBBD CNC(=O)[C@H](C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 55958435 TUZHLORFXHGYOI-VIFPVBQESA-N 322.321 -0.035 5 20 DBBD COC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 251852996 NRDKHJASGXAPGV-UHTWSYAYSA-N 314.342 -0.112 5 20 DBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](O)CO 275693988 KVAMFDVVFXYWGD-MRVPVSSYSA-N 313.266 -0.989 5 20 DBBD NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 281290611 XWZFCUKMXIHICT-UHFFFAOYSA-N 314.323 -0.020 5 20 DBBD CCNC(=O)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C 339333917 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CN1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 736868478 RTUQCUVEZWXXAO-SECBINFHSA-N 320.313 -0.088 5 20 DBBD O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1COc2ccccc2[C@H]1O 752921797 PITLMUISLPAZBF-JOYOIKCWSA-N 319.277 -0.203 5 20 DBBD CON(C)C(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 763255903 VIBQROAPWGNPHM-UHFFFAOYSA-N 319.295 -0.359 5 20 DBBD O=C(Cn1ccnc1)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 946702921 CSHJBKVECIWDBB-VXGBXAGGSA-N 321.337 -0.345 5 20 DBBD Cc1cncn1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 974116488 OUTJMAFLXUHMNB-WRWGMCAJSA-N 321.337 -0.380 5 20 DBBD CN(CCNc1ncccc1[N+](=O)[O-])C(=O)CS(C)(=O)=O 1101523620 HDLNWIDWLCRUQG-UHFFFAOYSA-N 316.339 -0.095 5 20 DBBD Cc1ccc([N+](=O)[O-])c(NCCN(CCO)C(=O)C(N)=O)n1 1111557173 KWNUGVOOSQYDHF-UHFFFAOYSA-N 311.298 -0.984 5 20 DBBD O=C(CNC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)NC1CC1 1200462338 XBONENWOEIWXEZ-VXGBXAGGSA-N 310.354 -0.489 5 20 DBBD CO[C@@H](C(=O)OCCn1cnc([N+](=O)[O-])n1)c1cnn(C)c1 1263381752 FHWHRNWJXCHVIN-SECBINFHSA-N 310.270 -0.149 5 20 DBBD O=[N+]([O-])c1cnn(C[C@H](O)CNCC2(CO)CCOCC2)c1 1332357049 NLEKWDBUMKIDTL-GFCCVEGCSA-N 314.342 -0.469 5 20 DBBD CS(=O)(=O)CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1338104940 VEYDOHWDRHZXCM-UHFFFAOYSA-N 317.323 -0.693 5 20 DBBD C[C@H](O)CN(CCO)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 1590002340 XHKPWCKXCGNVAG-QMMMGPOBSA-N 308.298 -0.046 5 20 DBBD O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1N1C[C@@H](O)[C@H](CO)C1 1593487783 MCPHFLUWKNWKBY-CAHLUQPWSA-N 312.311 -0.374 5 20 DBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@@](F)(C(=O)O)C1 1608376818 HHHRYZFTDVFOPZ-LBPRGKRZSA-N 313.241 -0.218 5 20 DBBD CS(=O)(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 49236069 TWIIWJCUZBPBKN-UHFFFAOYSA-N 323.352 -0.301 5 20 DBBD O=C(NC[C@H]1CN2CCN1CC2)c1cc([N+](=O)[O-])cnc1O 179025064 ZKVQLIDITROPNA-JTQLQIEISA-N 307.310 -0.575 5 20 DBBD COc1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)c([N+](=O)[O-])c1 272369997 DQIZLYJMOXSYND-LURJTMIESA-N 303.296 -0.245 5 20 DBBD NC(=O)CN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 272611630 ZHWUZQLHMPZTLS-UHFFFAOYSA-N 308.294 -0.457 5 20 DBBD CNS(=O)(=O)CCNC(=O)Nc1ccncc1[N+](=O)[O-] 276229723 YQHHFVOKLOENJF-UHFFFAOYSA-N 303.300 -0.340 5 20 DBBD C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N1 296392639 ZEBGTEZHAVFOCE-MRVPVSSYSA-N 306.278 -0.120 5 20 DBBD NC(=O)c1ccc(N2CC[C@@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 339218378 HEHAOISAQXFDOD-MRVPVSSYSA-N 314.323 -0.439 5 20 DBBD CNC(=O)CNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 343186825 WYWZFOSFQSDEBJ-UHFFFAOYSA-N 308.250 -0.635 5 20 DBBD Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN(C2CC2)CCO1 343336014 OOEHXBCDQAOFAG-SNVBAGLBSA-N 309.326 -0.079 5 20 DBBD NC(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 359230974 ZUVMJIOFDDCVRZ-UHFFFAOYSA-N 317.261 -0.111 5 20 DBBD CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 586138114 PYJJBXOTALEDAQ-SSDOTTSWSA-N 317.327 -0.528 5 20 DBBD COC[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(N)=O 760063027 CXFDOWAIRDXNDG-SSDOTTSWSA-N 311.250 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303.300 -0.965 5 20 DBBD C[C@@](O)(CO)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 360120913 BVPZYGXRFKEKQU-JTQLQIEISA-N 305.312 -0.603 5 20 DBBD C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] 549175547 FGAVRQKMOMALEG-RNFRBKRXSA-N 302.312 -0.035 5 20 DBBD CN=c1[nH]ccc(C(=O)N=c2ccn(CCOC)[nH]2)c1[N+](=O)[O-] 553084986 IMMCEJQAUYNMCS-UHFFFAOYSA-N 320.309 -0.030 5 20 DBBD O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 555287332 AQGVPIFFKXJHEI-MRVPVSSYSA-N 308.298 -0.006 5 20 DBBD O=C(CN1CCNCC1=O)NCCOc1ccc([N+](=O)[O-])cc1 570713198 GDFQVGRQBOHTNB-UHFFFAOYSA-N 322.321 -0.478 5 20 DBBD O=C(O)[C@@H]1COCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 581150533 CFWQXYGQRGBRJH-VIFPVBQESA-N 313.270 -0.714 5 20 DBBD CN(C)C[C@@H](CO)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 592432375 WAXMPZGTBKPPLM-AAEUAGOBSA-N 313.354 -0.153 5 20 DBBD COC(=O)[C@@H](O)CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] 593563855 GKHHROPIDJFCAS-JTQLQIEISA-N 300.242 -0.074 5 20 DBBD COCc1n[nH]c(CNC(=O)c2cc([N+](=O)[O-])cnc2O)n1 598762839 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O=[N+]([O-])c1c(-c2nn[nH]n2)cccc1N1C[C@@H](O)C[C@@H](O)C1 1607076608 AZJJTAGXCFQQEF-OCAPTIKFSA-N 306.282 -0.293 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(c2ncccn2)CC1 28274985 BPBLOZVYZAITOT-UHFFFAOYSA-N 317.309 -0.070 5 20 DBBD COC(=O)[C@@H](CO)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 36818020 HDSGOEFQGZIIBD-MRVPVSSYSA-N 318.307 -0.285 5 20 DBBD O=C1NC[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])CCN2C1=O 177115672 TVWPLASLEZUEOF-LLVKDONJSA-N 304.306 -0.263 5 20 DBBD CCN(CCO)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 187373874 VTQPWAFQDCDYHO-UHFFFAOYSA-N 314.346 -0.595 5 20 DBBD COC(=O)CNC(=O)Cn1cc(Br)c([N+](=O)[O-])n1 264192363 OKJOECDLLQEBNZ-UHFFFAOYSA-N 321.087 -0.157 5 20 DBBD COC[C@H](O)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C 265357694 DLRIDAFEUVVERE-SECBINFHSA-N 311.294 -0.035 5 20 DBBD NC(=O)NC(=O)CCNC(=O)COc1cccc([N+](=O)[O-])c1 267854328 QWNAXRHTDLVZAT-UHFFFAOYSA-N 310.266 -0.325 5 20 DBBD Cc1ncc([N+](=O)[O-])n1CCNS(=O)(=O)c1cnn(C)c1 346613471 YVUGVLXMXBGGMT-UHFFFAOYSA-N 314.327 -0.188 5 20 DBBD 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303.344 -0.312 5 20 DBBD O=C(NC1CCN(C(=O)Cc2ccon2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 945564346 ABGUKUPRVDGZHK-VXGBXAGGSA-N 322.321 -0.011 5 20 DBBD O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cocn1 978797689 XGFSSPRAPSRHTI-PKIKSRDPSA-N 308.294 -0.036 5 20 DBBD Cc1cc(N(CCNC(=O)C(N)=O)C2CC2)ncc1[N+](=O)[O-] 1101443888 WZFUIFUQJGBKPO-UHFFFAOYSA-N 307.310 -0.131 5 20 DBBD Nc1c(C(=O)NC[C@H](O)CN2CCCC2=O)cccc1[N+](=O)[O-] 1319589328 YTOAMIUUFKSROI-VIFPVBQESA-N 322.321 -0.110 5 20 DBBD O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](n3cncn3)C2)c1 1324195928 RTHZZHUPENVYBW-PWSUYJOCSA-N 307.314 -0.309 5 20 DBBD C[C@H](CN1CCN(C)CC1)NC(=O)c1c([N+](=O)[O-])cnn1C 1337326495 FUXPGEIGHKFVKH-SNVBAGLBSA-N 310.358 -0.306 5 20 DBBD O=C(O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 1602220796 AAFSYHCSIKTEBC-HTQZYQBOSA-N 317.279 -0.802 5 20 DBBD CN(C)C[C@](C)(O)CNC(=O)NCCn1cc([N+](=O)[O-])cn1 131599353 QVXITGCFBBFVTM-GFCCVEGCSA-N 314.346 -0.597 5 20 DBBD 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322.325 -0.788 5 20 DBBD O=C(NCC1CN(C(=O)c2ncccc2O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001795085 AKWCHOXGZAHBGT-NXEZZACHSA-N 320.305 -0.359 5 20 DBBD CN(CCCNC(=O)c1cc[nH]n1)c1ncc([N+](=O)[O-])c(N)n1 1095489528 BLEHCEIYJKNQDR-UHFFFAOYSA-N 320.313 -0.054 5 20 DBBD CNC(=O)CC(=O)NCCN(C)c1ccnc(O)c1[N+](=O)[O-] 1100066813 MQBIUVIXWGROSU-UHFFFAOYSA-N 311.298 -0.616 5 20 DBBD COc1ccc(CNC(=O)CN2C(=O)CNC2=O)cc1[N+](=O)[O-] 1317956463 YRXMUKIEAFFBQQ-UHFFFAOYSA-N 322.277 -0.229 5 20 DBBD CN1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1=O 1604867230 WMDZPNRLBCNJMY-UHFFFAOYSA-N 318.297 -0.365 5 20 DBBD COc1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1[N+](=O)[O-] 10518520 IUAHGIKGMSPDFX-LURJTMIESA-N 303.296 -0.245 5 20 DBBD COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 35160031 ZILQBTALKFUZAA-ZETCQYMHSA-N 320.279 -0.887 5 20 DBBD C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])[nH]n2)C[C@@H](C)S1(=O)=O 291145056 FLWXWBZVVJYXQC-RNFRBKRXSA-N 302.312 -0.035 5 20 DBBD NC(=O)NC(=O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O 339180600 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304.262 -0.143 5 20 DBBD O=C(NC[C@@H](O)CO)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 351575980 KPUIRSAVPUTVDJ-SECBINFHSA-N 301.230 -0.858 5 20 DBBD Nc1nc(N2CCN([C@H]3CCC[C@H]3O)CC2)ncc1[N+](=O)[O-] 375774323 OKKJEFPUWCRCMM-GXSJLCMTSA-N 308.342 0.002 5 20 DBBD CN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCN(S(C)(=O)=O)C1 428779373 FENFVNJJLZJKRI-SECBINFHSA-N 317.371 -0.206 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(Cc2nc[nH]n2)CC1 593858654 JVQRSYKOPSEPJE-UHFFFAOYSA-N 320.313 -0.746 5 20 DBBD O=C(Cc1ccc([N+](=O)[O-])cc1)N(CCO)CCOCCO 600125169 OZFWKNFDAMONQQ-UHFFFAOYSA-N 312.322 -0.033 5 20 DBBD O=C(O)Cc1nc(NC(=O)CCn2cc([N+](=O)[O-])cn2)n[nH]1 739900670 NWLIQTYYPQVOEX-UHFFFAOYSA-N 309.242 -0.435 5 20 DBBD CNC(=O)CN1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 1039583866 YWNZANBWHHJBKJ-NNYUYHANSA-N 310.354 -0.537 5 20 DBBD O=C(CN1CCCC1=O)NCCNc1ccnc(O)c1[N+](=O)[O-] 1093473392 UMWGOYFWMXXVEP-UHFFFAOYSA-N 323.309 -0.154 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCc2nn[nH]c2C1 1323182878 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CS(=O)(=O)NC1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 1117950767 IIKHTYCHMUVULC-UHFFFAOYSA-N 317.327 -0.528 5 20 DBBD Cc1c(C(=O)NCCNCc2c([N+](=O)[O-])ncn2C)nnn1C 1125170288 WGXHVJHHWWXBAR-UHFFFAOYSA-N 322.329 -0.715 5 20 DBBD O=C(CNCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCC1CCC1 1157761619 UQUSLDGFVMGUFH-VXGBXAGGSA-N 312.370 -0.336 5 20 DBBD Cc1nn(C)c(C(=O)N(C[C@@H](C)O)[C@@H](C)CO)c1[N+](=O)[O-] 1320619025 NLSOZPHTGUSRCW-JGVFFNPUSA-N 300.315 -0.159 5 20 DBBD COC(=O)C1(O)CN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 1591245808 JOOAJANUWXTYOX-UHFFFAOYSA-N 320.265 -0.501 5 20 DBBD O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N1CC[C@@H](O)[C@@H](O)C1 1593479864 BBGFKZPHVZYQDM-ZJUUUORDSA-N 306.282 -0.293 5 20 DBBD COc1cc(C(=O)NC[C@H](O)C(=O)O)c([N+](=O)[O-])cc1F 1599354164 ZHNYBHIRXTZSSG-QMMMGPOBSA-N 302.214 -0.082 5 20 DBBD O=C(O)COc1ccc(CN2C[C@H](O)[C@H](O)C2)cc1[N+](=O)[O-] 1602082706 VFDUAOOHRHMLJU-PHIMTYICSA-N 312.278 -0.404 5 20 DBBD COC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](C(=O)O)C1 1606405843 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SSPGBBVQOGPQJH-UHFFFAOYSA-N 310.295 -0.214 5 20 DBBD COC[C@](C)(NC(=O)c1c([N+](=O)[O-])c(C)nn1C)C(=O)OC 1322490354 FADIXDMYUQNFLT-LBPRGKRZSA-N 314.298 -0.055 5 20 DBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1(S(C)(=O)=O)CC1 1344393675 RQFWGLPSMDNBFQ-UHFFFAOYSA-N 316.339 -0.207 5 20 DBBD O=C(O)c1cc(C(=O)N[C@H]2C[C@H](O)[C@H](O)C2)cc([N+](=O)[O-])c1 1602246461 ATDHQHQZZAUGIG-UIKWRGBMSA-N 310.262 -0.093 5 20 DBBD Cc1cc(N2CCN(S(N)(=O)=O)CC2)ncc1[N+](=O)[O-] 74738911 HZOMIKYOERWIRU-UHFFFAOYSA-N 301.328 -0.376 5 20 DBBD CC(=O)N[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 174737192 JPQNJBIUCLMVHD-AAEUAGOBSA-N 311.342 -0.247 5 20 DBBD NC(=O)[C@@H]1CCCN1CCCNc1ncc([N+](=O)[O-])c(N)n1 264549938 CMLZMUCTDYAAPE-QMMMGPOBSA-N 309.330 -0.281 5 20 DBBD COC(=O)[C@H]1[C@H](O)CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 275614130 QVXHHNHGSLFAPT-MWLCHTKSSA-N 312.282 -0.684 5 20 DBBD NC(=O)[C@@H]1CCCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 338638516 UXOAKTZZSAQPMI-SECBINFHSA-N 308.294 -0.520 5 20 DBBD COC(=O)c1cn(CCNC(=O)c2ccc([N+](=O)[O-])n2C)nn1 341738576 PGXIDXPWHRJBKR-UHFFFAOYSA-N 322.281 -0.259 5 20 DBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)c1cc([N+](=O)[O-])cnc1C 344851771 BZNSEMFFZZUPCF-SNVBAGLBSA-N 322.277 -0.588 5 20 DBBD Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(CC(C)(C)O)CC1 358016851 NVEIOFJCBNFSGV-UHFFFAOYSA-N 311.342 -0.143 5 20 DBBD COC(=O)[C@@](C)(O)CNC(=O)Cn1cc([N+](=O)[O-])nc1C 358913345 ZCRXXGWTROYESU-NSHDSACASA-N 300.271 -0.860 5 20 DBBD CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](S(N)(=O)=O)C1 360913302 IPLPUPUFIGRNLT-QMMMGPOBSA-N 303.344 -0.013 5 20 DBBD COC(=O)CNC(=O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] 552013979 MXIQPOJVFDVNFG-UHFFFAOYSA-N 311.250 -0.681 5 20 DBBD CCn1cc(S(=O)(=O)NC[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])n1 599479559 HBTJNWAEXRSMRY-OCAPTIKFSA-N 304.328 -0.140 5 20 DBBD CCOC(=O)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 736132133 SLRLQSSCYLLAHZ-UHFFFAOYSA-N 324.293 -0.230 5 20 DBBD Nc1ccc(C(=O)N2CCN(C(=O)C(=O)O)CC2)cc1[N+](=O)[O-] 738449812 HRBCGXCWGJVMHJ-UHFFFAOYSA-N 322.277 -0.454 5 20 DBBD CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 973965378 MDHXCEODEVWYQW-WRWGMCAJSA-N 321.337 -0.055 5 20 DBBD O=C(Cc1cc[nH]n1)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 976293198 GJSJUEAARLPUQB-HMUNZLOLSA-N 319.321 -0.810 5 20 DBBD Cn1cnc([N+](=O)[O-])c1CN1CC(NC(=O)c2nc[nH]n2)C1 1031123566 YJCJDXJXWDBQPE-UHFFFAOYSA-N 306.286 -0.939 5 20 DBBD COCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 1055116617 MDOSXMXUKNBVLA-WRWGMCAJSA-N 311.338 -0.395 5 20 DBBD CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1056993305 CUTOUIBZUJJIBJ-GHMZBOCLSA-N 301.343 -0.221 5 20 DBBD O=C(CCC1CC1)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057543809 YNICVUJBEYDDJL-VXGBXAGGSA-N 313.354 -0.221 5 20 DBBD CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)Cc1cnc[nH]1 1067389969 YFKSNPLYOXOSCY-VXGBXAGGSA-N 323.353 -0.076 5 20 DBBD O=C(CN1CCC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)N1CCC1 1072727037 XUNODBKHPWPCOU-VXGBXAGGSA-N 322.365 -0.582 5 20 DBBD Nc1nc(NCCCNC(=O)c2cnccn2)ncc1[N+](=O)[O-] 1094287373 QJKNAUTWTLRVPA-UHFFFAOYSA-N 318.297 -0.011 5 20 DBBD O=C(Cn1cnnc1O)NCCCNc1ncccc1[N+](=O)[O-] 1094373495 HPRIXSIDHCETTQ-UHFFFAOYSA-N 321.297 -0.095 5 20 DBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(N(CCO)CCF)CC1 1098364796 CLWZCBJNIXWXOS-VXGBXAGGSA-N 303.334 -0.094 5 20 DBBD CN(CCNC(=O)Cn1cnnn1)c1cccc(F)c1[N+](=O)[O-] 1099914403 QTQJQIOLLZADJO-UHFFFAOYSA-N 323.288 -0.027 5 20 DBBD CN1C(=O)NC2(CCN(c3c([N+](=O)[O-])ncn3C)CC2)C1=O 1116477120 OKHLNGLCESDUHO-UHFFFAOYSA-N 308.298 -0.151 5 20 DBBD O=C(NCCCNCc1nc(C2CC2)n[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] 1157767837 XAFHWYGTXMEKAC-NXEZZACHSA-N 308.342 -0.057 5 20 DBBD COC(COCCNC(=O)c1ccnc(N)c1[N+](=O)[O-])OC 1326794234 YNOSBFKAXCZZSR-UHFFFAOYSA-N 314.298 -0.063 5 20 DBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC(NC2COC2)C1 1593468008 IDQPEGPJNIJEOJ-UHFFFAOYSA-N 317.309 -0.048 5 20 DBBD CN(CCNC(=O)c1ncn(C)n1)Cc1c([N+](=O)[O-])ncn1C 1753048328 OFEVDEVLBJSATK-UHFFFAOYSA-N 322.329 -0.681 5 20 DBBD COCC[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)O 262299685 NIZGFUCDGGYUBJ-SECBINFHSA-N 300.271 -0.213 5 20 DBBD COC(=O)[C@@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 267705861 JTSKWCSHNOJNGG-JTQLQIEISA-N 312.282 -0.418 5 20 DBBD CNS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 351673300 KRFZNFGBUFVFSN-UHFFFAOYSA-N 301.328 -0.424 5 20 DBBD CN(C)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 356166072 KGDWYOIKEROTQE-UHFFFAOYSA-N 324.341 -0.826 5 20 DBBD O=C(NC[C@@H]1CCCS(=O)(=O)C1)c1cc([N+](=O)[O-])n[nH]1 360223045 XJHVAVMMQKJMOS-ZETCQYMHSA-N 302.312 -0.128 5 20 DBBD O=[N+]([O-])c1cccc(CS(=O)(=O)N2C[C@H](O)[C@H](O)C2)c1 434755947 BDIBCFMIIIHURD-PHIMTYICSA-N 302.308 -0.538 5 20 DBBD NC(=O)CCNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 569715857 RTEQEGGRJJDPGP-UHFFFAOYSA-N 316.339 -0.662 5 20 DBBD NC(=O)C1=NO[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 763049430 LPERDQPDBDOCMA-LURJTMIESA-N 307.266 -0.463 5 20 DBBD CCOC[C@@H](C(=O)O)N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 829960963 NQCMMBLZISDXCQ-VIFPVBQESA-N 300.271 -0.261 5 20 DBBD Cn1c(=O)c2ccc(C(=O)OCCC[N+](=O)[O-])nc2n(C)c1=O 860913185 SOISDGPABMMCKN-UHFFFAOYSA-N 322.277 -0.544 5 20 DBBD O=C(NCC1CN(C(=O)Cc2cscn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001805252 MIKBQLMOQKTZOR-GHMZBOCLSA-N 324.362 -0.075 5 20 DBBD O=C(Cn1cnnc1O)NCCNCc1cccc([N+](=O)[O-])c1 1126022081 XERSLGZDRGVWOU-UHFFFAOYSA-N 320.309 -0.202 5 20 DBBD COc1ccc(C(=O)N2CC(=O)NCC23CNC3)cc1[N+](=O)[O-] 1579188936 SVLXXJUQUWKLTQ-UHFFFAOYSA-N 320.305 -0.483 5 20 DBBD O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCNC1 1580577649 HPKICBSMAGZCAJ-MRVPVSSYSA-N 306.278 -0.019 5 20 DBBD C[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(N)=O 53331061 DJLNFKQHAWOWKL-SSDOTTSWSA-N 322.277 -0.690 5 20 DBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1COC[C@H]1O 323126714 OABOBYUJQJQVHT-PSASIEDQSA-N 302.308 -0.059 5 20 DBBD Cn1c(C(=O)NCCNC(=O)c2cnccn2)ccc1[N+](=O)[O-] 338662891 SAZAJKXHCNKKRY-UHFFFAOYSA-N 318.293 -0.117 5 20 DBBD Cc1nn(C)c(C(=O)NCCNC(=O)c2cc[nH]n2)c1[N+](=O)[O-] 357102384 QZZTUNUIODALEH-UHFFFAOYSA-N 321.297 -0.480 5 20 DBBD COC(=O)CN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 362825723 JEZGAJHRJIEHCQ-UHFFFAOYSA-N 322.321 -0.011 5 20 DBBD Cc1nc(C)n(C2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 424133086 IWGQLRMMKNFLMC-ZDUSSCGKSA-N 321.341 -0.083 5 20 DBBD COCCn1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 564076034 CYQPMNFZKQLNGL-CYBMUJFWSA-N 324.341 -0.215 5 20 DBBD COCCNC(=O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] 594743123 RDMOTSHEIYCWIB-UHFFFAOYSA-N 318.311 -0.969 5 20 DBBD COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC(N)=O 619476567 MNWPQYFHIQOZIT-UHFFFAOYSA-N 303.296 -0.243 5 20 DBBD O=C(OCCn1cnc([N+](=O)[O-])n1)[C@@H]1CCCCS1(=O)=O 776311126 NPHCGQQUGMSQNA-QMMMGPOBSA-N 318.311 -0.303 5 20 DBBD CNC(=O)CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 779868796 BBRGCQROCXZYFZ-UHFFFAOYSA-N 301.324 -0.197 5 20 DBBD Cc1nonc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954240428 BYONASXCCNOEHN-RKDXNWHRSA-N 309.282 -0.674 5 20 DBBD Cn1cc(CN2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 1001399235 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5 20 DBBD COC(=O)CN1CCC[C@H](CN=c2nc(N)c([N+](=O)[O-])c[nH]2)C1 353876162 QEBNSWKDLCHPOI-SECBINFHSA-N 324.341 -0.314 5 20 DBBD C[C@@H](NC(=O)N=c1cc[nH]cc1[N+](=O)[O-])C(=O)N1CCOCC1 359031894 YPPKEJDATBGHBT-SECBINFHSA-N 323.309 -0.220 5 20 DBBD CNc1nc(C(=O)NC[C@H](OC)C(=O)OC)ccc1[N+](=O)[O-] 456074349 XFGATRQSFFQDSF-VIFPVBQESA-N 312.282 -0.051 5 20 DBBD CC(C)NC(=O)NCCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O 569723475 IGHWOZLREGMZSM-UHFFFAOYSA-N 311.298 -0.437 5 20 DBBD N[C@H]1C[C@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])CCN2C1=O 584540702 INZQTKXURNKBLI-RYUDHWBXSA-N 318.333 -0.092 5 20 DBBD CNc1nccc(C(=O)N2C[C@H](O)C[C@@H]2COC)c1[N+](=O)[O-] 594375248 BATUKTCIPZDNPI-RKDXNWHRSA-N 310.310 0.253 5 20 DBBD Nc1ccc(C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1[N+](=O)[O-] 732664293 NAOZKHIPGJRGNH-MRVPVSSYSA-N 314.323 -0.320 5 20 DBBD COC[C@@H](C)S(=O)(=O)NC(=O)Cn1cc([N+](=O)[O-])cn1 733714777 KOKLRTDNEXYJOR-SSDOTTSWSA-N 306.300 -0.728 5 20 DBBD O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cnn[nH]1 979018422 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O=C(N[C@H]1C[C@H](CNCc2nc(O)n[nH]2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 983652949 FHQMEAUHNHEYJF-FNCVBFRFSA-N 310.314 -0.840 5 20 DBBD CN(CCNC(=O)Cn1cnnn1)c1ncccc1[N+](=O)[O-] 1099914067 FZUSFYJVKZPCHB-UHFFFAOYSA-N 306.286 -0.771 5 20 DBBD Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](C(=O)O)[C@@H]1CCCOC1 1116788040 BAALWLUHWRKRBI-APPZFPTMSA-N 312.282 -0.062 5 20 DBBD CCn1cc(S(=O)(=O)N(C)[C@H]2CCNC2=O)c([N+](=O)[O-])n1 1324483959 ZKEDCPDDDLZHIR-ZETCQYMHSA-N 317.327 -0.680 5 20 DBBD Cn1cc(C[C@@H](CO)CNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 1340137803 ARLKODFPFZEDFC-SECBINFHSA-N 308.298 -0.368 5 20 DBBD CNc1nccc(C(=O)N2CC[C@H](O)[C@@H](CO)C2)c1[N+](=O)[O-] 1349811650 NJUBJISZOQFRBW-SCZZXKLOSA-N 310.310 -0.153 5 20 DBBD Cn1cc(Cn2ccc(-c3nn[nH]n3)cc2=O)c([N+](=O)[O-])n1 1592575175 AMCSDOSDQFQSTK-UHFFFAOYSA-N 302.254 -0.282 5 20 DBBD CNC(=O)[C@@H](C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 55958436 TUZHLORFXHGYOI-SECBINFHSA-N 322.321 -0.035 5 20 DBBD CC1(C)C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(=O)O1 269921635 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Cn1c(C(=O)NCc2nc(O)cc(CN)n2)ccc1[N+](=O)[O-] 595946116 AIFKIFCLYSZPNC-UHFFFAOYSA-N 306.282 -0.182 5 20 DBBD Nc1ccc(NCCCN2CCCS2(=O)=O)nc1[N+](=O)[O-] 596109117 FXDXWKXOYNSBFB-UHFFFAOYSA-N 315.355 0.410 5 20 DBBD CNC(=O)[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 763696978 IDNYTSLVUJSDMH-NSHDSACASA-N 318.289 -0.020 5 20 DBBD NC(=O)CONC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 785387654 FJGRSPOLCKXXBR-UHFFFAOYSA-N 316.657 -0.280 5 20 DBBD CN1C(=O)CC[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O 819728238 KUBMTTOKWRRVRX-CMPLNLGQSA-N 321.289 -0.108 5 20 DBBD Cc1nc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)co1 954239733 FVXDCJHQBXKTJY-MWLCHTKSSA-N 308.294 -0.069 5 20 DBBD O=C(NC1CN(C(=O)c2n[nH]c3c2CCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991289201 XCAHMTFKALJSIA-MWLCHTKSSA-N 319.321 -0.496 5 20 DBBD Cc1nc(CN2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n[nH]1 1048814518 OVDWTZQHOUHSDC-WRWGMCAJSA-N 320.353 -0.331 5 20 DBBD CC(C)NC(=O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 17809741 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CCN1CC[C@H](NC(=O)c2ccnc(NC)c2[N+](=O)[O-])C1=O 594356866 CRYPPCKWTRZBFD-VIFPVBQESA-N 307.310 0.382 5 20 DBBD C[C@H](O)COC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 792278709 HEHGCYQNMNLTFW-QMMMGPOBSA-N 318.307 -0.203 5 20 DBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)Cc2ccon2)C1 954234734 IBXRXADSAGULBP-GHMZBOCLSA-N 308.294 -0.449 5 20 DBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C2=CCOCC2)C1 954240652 VHGQMTNCJFWBDM-VXGBXAGGSA-N 309.322 -0.333 5 20 DBBD Cn1cc(CN2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 1002787180 HRMLZJUIEDXUKB-VXGBXAGGSA-N 308.342 -0.439 5 20 DBBD CC(=O)NCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1093131900 UOZISIKTPIWNLK-UHFFFAOYSA-N 307.310 -0.226 5 20 DBBD Nc1nc(NCCNC(=O)CN2CCCC2=O)ncc1[N+](=O)[O-] 1093506333 PAZFZGNIVDDYRU-UHFFFAOYSA-N 323.313 -0.883 5 20 DBBD Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)Cn2ncnn2)n1 1101800799 YPSQICRLPNJMGP-UHFFFAOYSA-N 320.313 -0.145 5 20 DBBD CNC(=O)[C@H](O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C 1116766923 ZEBPCRPFVYXFKR-SECBINFHSA-N 317.323 -0.712 5 20 DBBD CCCN(C)CC(=O)NCCNCc1c([N+](=O)[O-])ncn1C 1148638959 VGPXCBMIBONJSX-UHFFFAOYSA-N 312.374 -0.124 5 20 DBBD CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(NCCO)CC2)n1 1578350364 MMDCCEWPLWRKFH-UHFFFAOYSA-N 311.342 -0.002 5 20 DBBD COC[C@]1(C(=O)O)CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 1593979657 FHCKUHTUBFUJFP-LBPRGKRZSA-N 313.266 -0.135 5 20 DBBD O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1C[C@H]2COC[C@@H](C1)O2 1609599604 NLPZJTUKSSARSK-OCAPTIKFSA-N 319.281 -0.226 5 20 DBBD CN(C(=O)CN1C[C@H](O)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 245742159 WAUDOTAITZGQDH-QWHCGFSZSA-N 309.322 -0.015 5 20 DBBD Cn1cnc(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)c1 269111158 CWERKRAEFODUOC-UHFFFAOYSA-N 300.300 -0.497 5 20 DBBD O=[N+]([O-])c1ccc(CCS(=O)(=O)N(CCO)CCO)cc1 272444323 IXFWLUFZBKFIPT-UHFFFAOYSA-N 318.351 -0.246 5 20 DBBD O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N(CCO)CCCO 276007706 XAHROUDKNDMAJS-UHFFFAOYSA-N 311.294 -0.263 5 20 DBBD CCn1cc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CO)c([N+](=O)[O-])n1 332673157 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Cn1ncc(CCCNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 819331324 QUKLYZHTVXSBHS-GFCCVEGCSA-N 309.330 -0.497 5 20 DBBD COc1nc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)co1 1003357596 OHXACVYIGGNTIL-PSASIEDQSA-N 324.293 -0.463 5 20 DBBD Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)CNC(N)=O)n1 1094299108 NDDWYKCXYDLMGX-UHFFFAOYSA-N 310.314 -0.115 5 20 DBBD O=C(c1cnon1)N(CCO)CCNc1ccc([N+](=O)[O-])cn1 1111494852 MGTMNLZTQZLGEJ-UHFFFAOYSA-N 322.281 -0.081 5 20 DBBD C[C@@H](O)CN(CCO)S(=O)(=O)c1cccnc1[N+](=O)[O-] 1327483851 SOOOVPCQQDNUNN-MRVPVSSYSA-N 305.312 -0.646 5 20 DBBD CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC(=O)O 1593751005 OYSXIWXDCSVQIB-UHFFFAOYSA-N 317.323 -0.111 5 20 DBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(C(=O)O)CCOC1 1600720123 DDESLONZJXRFMQ-LBPRGKRZSA-N 312.282 -0.293 5 20 DBBD O=C(O)CCC(=O)COC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1601969719 XXALFAKSKGXMMB-UHFFFAOYSA-N 312.234 -0.266 5 20 DBBD NC(=O)CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 176218023 LRICAEOIOUHZHZ-UHFFFAOYSA-N 307.310 -0.580 5 20 DBBD Cc1cnc(N2CCN(S(N)(=O)=O)CC2)c([N+](=O)[O-])c1 266187666 FFLIXUZYHGIECQ-UHFFFAOYSA-N 301.328 -0.376 5 20 DBBD CC(C)(C(=O)N1CCO[C@H](C(N)=O)C1)n1cc([N+](=O)[O-])cn1 338669752 QDUIZMOXHIFBBN-VIFPVBQESA-N 311.298 -0.761 5 20 DBBD NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 345061592 VCLRYHWWQMJXSY-UHFFFAOYSA-N 308.294 -0.354 5 20 DBBD CCn1cc(S(=O)(=O)N2CCNC[C@@H]2C)c([N+](=O)[O-])n1 353250483 MXMLKAWDPHSXRJ-QMMMGPOBSA-N 303.344 -0.206 5 20 DBBD CCn1cc(S(=O)(=O)N[C@H](CCO)COC)c([N+](=O)[O-])n1 354294516 CDIVCJWPVGCGPQ-MRVPVSSYSA-N 322.343 -0.513 5 20 DBBD CN1CCC(O)(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 354731957 JHCCWUWNFHUNLC-UHFFFAOYSA-N 311.342 -0.246 5 20 DBBD COC(=O)c1cnc(NC[C@@H](C)S(N)(=O)=O)c([N+](=O)[O-])c1 357713475 UIRHIUKKCDBFSG-ZCFIWIBFSA-N 318.311 -0.135 5 20 DBBD NC(=O)[C@H]1CSCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 358816374 KSDIMSOJDCHSQK-VHSXEESVSA-N 315.355 -0.945 5 20 DBBD CC(C)NS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])nn1C 360805093 ZCKOEJPQYPNLII-UHFFFAOYSA-N 319.343 -0.614 5 20 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308.338 -0.350 5 20 DBBD COCCN1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O 831926308 LPRJNDFROBDVBQ-ZDUSSCGKSA-N 323.305 -0.097 5 20 DBBD CN(C)c1cc(F)c(C(=O)NC[C@@H](O)C(N)=O)cc1[N+](=O)[O-] 834573130 IPRDUTHJQNDXTJ-SNVBAGLBSA-N 314.273 -0.624 5 20 DBBD CCOC(=O)c1cnn(CCOC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1N 840673475 PBALQJCDRRTIJE-VXNVDRBHSA-N 312.282 -0.150 5 20 DBBD O=C(NC1CCN(C(=O)Cn2cccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 944233204 MZXLIEPTOPIKIS-VXGBXAGGSA-N 321.337 -0.345 5 20 DBBD CN(C(=O)c1ccn(C)n1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954318322 ZFDPLHTUHPGSPX-MWLCHTKSSA-N 307.310 -0.632 5 20 DBBD O=C(NCC1CN(CCN2CCCC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1031660812 SSOCUPFSPGTFLN-VXGBXAGGSA-N 310.354 -0.678 5 20 DBBD Nc1nc(N2CCN(C(=O)c3cnn[nH]3)CC2)ncc1[N+](=O)[O-] 1056078611 BJQVYZCTRWSJCJ-UHFFFAOYSA-N 319.285 -0.953 5 20 DBBD CC(=O)NCC(=O)N1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 1112598507 NRTOLLRJQUHJLB-UHFFFAOYSA-N 324.341 -0.891 5 20 DBBD 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CNC(=O)CN(C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 18057157 LJUCNJRWWGWXRZ-UHFFFAOYSA-N 302.312 -0.576 5 20 DBBD CC(=O)NC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 75676332 YLJPBIUWJZCDJW-ZDUSSCGKSA-N 311.342 -0.247 5 20 DBBD C[C@@](O)(CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)O 90276949 JQXVRVMKWZXOOP-LLVKDONJSA-N 318.307 -0.150 5 20 DBBD O=C1NC[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CCN2C1=O 177110562 PAGAWQATWNUUHX-SECBINFHSA-N 322.296 -0.124 5 20 DBBD CNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 178876157 KJFBGUUDJXNECO-UHFFFAOYSA-N 321.337 -0.198 5 20 DBBD CC(C)(C(=O)NC[C@](C)(O)C(=O)O)n1cc([N+](=O)[O-])cn1 262396394 MZNWUGWNJOSNBJ-NSHDSACASA-N 300.271 -0.522 5 20 DBBD COCCN1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 264461916 DXNAHNPPDCJMLZ-LLVKDONJSA-N 311.342 -0.063 5 20 DBBD CC(=O)C[C@@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 273345612 MCRQNDZRRLPWJT-GFCCVEGCSA-N 323.305 -0.037 5 20 DBBD Nc1c([N+](=O)[O-])ccc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1F 274702539 VCNBZQYRDGCSEB-SSDOTTSWSA-N 323.284 -0.537 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NC(=O)[C@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1324265070 BEKDLXIVOLTUDL-VHSXEESVSA-N 322.321 -0.083 5 20 DBBD CN1C[C@H](N(C)C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC1=O 1327918010 TXYGJYRDEFUQMA-SNVBAGLBSA-N 322.321 -0.164 5 20 DBBD Cc1nn([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1327924671 DAANDHOZSWAQIT-BDAKNGLRSA-N 316.339 -0.036 5 20 DBBD CNC[C@@H](C)NC(=O)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 1333532152 LBBTYFPXGRGUNR-SECBINFHSA-N 324.337 -0.056 5 20 DBBD Cn1nnc2c1C[C@H](C(=O)OCCn1cnc([N+](=O)[O-])n1)CC2 1344659379 YRCISVHASFKTIR-MRVPVSSYSA-N 321.297 -0.337 5 20 DBBD CN(C)c1cc(F)c(C(=O)NC[C@H](O)C(=O)O)cc1[N+](=O)[O-] 1574553549 XYYCHJDJVUDJQH-JTQLQIEISA-N 315.257 -0.025 5 20 DBBD O=C(O)[C@H]1C[C@H](O)CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 1610737288 JPQRHKVIJBNOTF-WPRPVWTQSA-N 312.282 -0.525 5 20 DBBD CC(C)N1C(=O)C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1=O 267635305 XNHBFZMJNYKQHO-MRVPVSSYSA-N 309.282 -0.557 5 20 DBBD CN(C)S(=O)(=O)CCNc1ncc([N+](=O)[O-])cc1C(N)=O 290709242 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O=C(CN1C[C@H](O)[C@H](O)C1)N1CCc2ccc([N+](=O)[O-])cc21 278861652 SAAZGVLPYBKVCA-BETUJISGSA-N 307.306 -0.479 5 20 DBBD Nc1ccc(C(=O)NCCCCS(N)(=O)=O)cc1[N+](=O)[O-] 293846681 COJWEHWPJQCADA-UHFFFAOYSA-N 316.339 -0.025 5 20 DBBD CNC(=O)Cn1nc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1C 348728878 NFGORUBZBFJIBG-UHFFFAOYSA-N 321.297 -0.319 5 20 DBBD CN(CC(C)(CO)CO)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 357252429 FAFNZSDLBZTCDO-UHFFFAOYSA-N 314.342 -0.024 5 20 DBBD O=[N+]([O-])c1c(NCc2nn[nH]n2)ncnc1N1CCOCC1 598594530 AOYNILHTZDFBAZ-UHFFFAOYSA-N 307.274 -0.653 5 20 DBBD NC(=O)CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 610368627 FETLFTMSOHRPSL-LBPRGKRZSA-N 311.342 -0.118 5 20 DBBD CN1C(=O)C(=O)N(CC(=O)Oc2cccc([N+](=O)[O-])c2)C1=O 733088832 WTGLMAFRCVYSKA-UHFFFAOYSA-N 307.218 -0.079 5 20 DBBD Cn1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)nn1 826362579 YXMJCUZJGXBTOC-UHFFFAOYSA-N 302.258 -0.090 5 20 DBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2nccnc2N)C1 954235227 RALOPPBFWKDRKJ-RKDXNWHRSA-N 320.309 -0.993 5 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313.354 -0.032 5 20 DBBD O=C(Cc1ncc[nH]1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1064207389 ILPZZIKBIIVBSW-NXEZZACHSA-N 321.337 -0.228 5 20 DBBD Cc1nn[nH]c1C(=O)NCCNCc1c([N+](=O)[O-])ncn1C 1132229399 KWXRZGHTOHUUER-UHFFFAOYSA-N 308.302 -0.726 5 20 DBBD Cn1ncn(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1=O 1592607347 ZEPQEUIIQFGIHN-UHFFFAOYSA-N 302.254 -0.282 5 20 DBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 120656680 LWDNKFDTDDZKHB-SECBINFHSA-N 316.339 -0.255 5 20 DBBD CC(=O)NCC(=O)NCC(=O)NCCc1ccccc1[N+](=O)[O-] 266189100 UIVSRGVHKDVHKI-UHFFFAOYSA-N 322.321 -0.494 5 20 DBBD COC(=O)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)OC 347808682 GBRIFOKEVZTBGH-SECBINFHSA-N 313.266 -0.939 5 20 DBBD O=C1CN(C(=O)COc2c(Cl)cncc2[N+](=O)[O-])CCN1 349921166 NITIEVPUBHITDQ-UHFFFAOYSA-N 314.685 -0.020 5 20 DBBD O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCn1ncnn1 352869335 HJXNUZXSVQEEJH-UHFFFAOYSA-N 312.311 -0.299 5 20 DBBD C[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C(=O)N1CCOCC1 565842425 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CC(C)S(=O)(=O)CCNC(=O)Cn1cc([N+](=O)[O-])cn1 811555870 QGIZCAIBGPLJOS-UHFFFAOYSA-N 304.328 -0.269 5 20 DBBD COc1nccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 991298506 PMKVPJCHHUZLJM-PSASIEDQSA-N 321.293 -0.909 5 20 DBBD O=C(C=C1CCC1)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042483997 JDLCBLDZAMFRLP-GHMZBOCLSA-N 309.322 -0.549 5 20 DBBD O=C(NCCNc1ncccc1[N+](=O)[O-])C(=O)NCC(F)F 1093968102 GVHOIZQJQGCYCZ-UHFFFAOYSA-N 317.252 -0.101 5 20 DBBD O=C(N1CCOCC1)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 1254794450 UOYQVKAKMRKYCK-UHFFFAOYSA-N 322.325 -0.041 5 20 DBBD NS(=O)(=O)c1ccc(N2CCn3cnnc3C2)c([N+](=O)[O-])c1 1322540719 NGCCECTXRSZYIE-UHFFFAOYSA-N 324.322 -0.146 5 20 DBBD O=C(O)CCNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 1595055948 LQEATSYQHNLAPP-UHFFFAOYSA-N 309.278 -0.156 5 20 DBBD O=C1CN(CCNc2ncc(C(=O)O)cc2[N+](=O)[O-])CCN1 1610885777 JJUWVEWPKBSKMB-UHFFFAOYSA-N 309.282 -0.468 5 20 DBBD C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1S(C)(=O)=O 181586912 GQXJTQVRFWDVEY-JTQLQIEISA-N 317.371 -0.243 5 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-0.109 5 20 DBBD Nc1c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cccc1[N+](=O)[O-] 570984170 XEFWZRFSPDZQHC-VXNVDRBHSA-N 315.307 -0.935 5 20 DBBD O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2nnnn2CC2CC2)c1 573111372 BIMQLEKZRKSXFK-NSHDSACASA-N 322.329 -0.662 5 20 DBBD N=c1nc(Cn2c3c(cc([N+](=O)[O-])c2=O)CCCC3)[nH]c(=N)[nH]1 592360457 HSXMLBBXFFMCHY-UHFFFAOYSA-N 317.309 -0.306 5 20 DBBD Cn1cnc([N+](=O)[O-])c1N1CCN(S(=O)(=O)C2CC2)CC1 610260291 DGXULNOQAWODIX-UHFFFAOYSA-N 315.355 -0.058 5 20 DBBD CN1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(=O)N1 777772273 UBAUNAWJSQEQOM-VIFPVBQESA-N 309.238 -0.422 5 20 DBBD O=C(N[C@H](CO)C(=O)O)c1cc2c(cc1[N+](=O)[O-])OCCO2 833125960 ISKRYDJDJKFCMP-SSDOTTSWSA-N 312.234 -0.459 5 20 DBBD Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] 862583436 KBYPEWLHXXXYQF-QWRGUYRKSA-N 311.250 -0.011 5 20 DBBD CCN(C(=O)c1cnccn1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 967741505 LACSOXGJCCINQX-ZYHUDNBSSA-N 319.321 -0.185 5 20 DBBD O=C(NCC1CCN(CCn2cncn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001399620 LSOWGJRACYBIBV-CHWSQXEVSA-N 322.369 -0.229 5 20 DBBD CCn1ccnc1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1011057962 HRJGAZUNMLGAAV-GHMZBOCLSA-N 321.337 -0.147 5 20 DBBD CN1CCN(CCCn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1 1255165284 PELQCXNCPGGTPT-UHFFFAOYSA-N 323.353 -0.507 5 20 DBBD Cn1c(C[N+](=O)[O-])nnc1N1CCN(C[C@@H]2CCCO2)CC1 1519613823 GQSDBXNOPKDWTE-NSHDSACASA-N 310.358 -0.107 5 20 DBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3CC[C@]32CN)n1 1579970502 YBASTKMQHNHNGF-KWQFWETISA-N 315.355 -0.170 5 20 DBBD Nc1nccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)O)C2)c1[N+](=O)[O-] 1594665360 YMYKXAVGATUNIC-CPFSXVBKSA-N 322.277 -0.255 5 20 DBBD O=C(O)c1cc(C(=O)N2C[C@@H](O)[C@@H](CO)C2)cc([N+](=O)[O-])c1 1602244148 QOLVECIEEIJVTA-MWLCHTKSSA-N 310.262 -0.282 5 20 DBBD C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C(N)=O)O1 90552340 BHFCGYOFFDPOAA-MWLCHTKSSA-N 310.310 -0.669 5 20 DBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O 267244072 FRJYIXZHCYBNPC-SECBINFHSA-N 323.309 -0.248 5 20 DBBD CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 271935489 XTWJJFARANXWIA-UHFFFAOYSA-N 322.321 -0.093 5 20 DBBD CNC(=O)[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCO1 273050102 FKGBMIADBXNREE-LBPRGKRZSA-N 323.305 -0.053 5 20 DBBD Cc1ccc(S(=O)(=O)N[C@@H](CO)C(N)=O)cc1[N+](=O)[O-] 285414983 VGEAZMSQVLWWNB-QMMMGPOBSA-N 303.296 -0.972 5 20 DBBD CS(=O)(=O)N1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 337980047 RFZOHSFIHMUOKZ-QMMMGPOBSA-N 316.339 -0.066 5 20 DBBD NS(=O)(=O)CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 341172816 DHVHBLKGDZKVGG-UHFFFAOYSA-N 317.371 -0.208 5 20 DBBD NC(=O)[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 352628876 CVGBCIHLHIUMOS-ZETCQYMHSA-N 323.714 -0.627 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]2CCN[C@H]2C1 369340000 RTZJBZZWSAZWJB-JQWIXIFHSA-N 306.322 -0.033 5 20 DBBD CCN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1=O 495244287 SBEUWAPHNRKVRC-JQWIXIFHSA-N 311.342 -0.295 5 20 DBBD CN1C[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1=O 525688337 DAEROALBRWGOCH-ZETCQYMHSA-N 300.296 -0.501 5 20 DBBD Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 563434958 XIWNHIYIGDSGIX-KOLCDFICSA-N 316.335 -0.123 5 20 DBBD COc1ccnc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 579828147 GRFDGDQKCOVIEB-SNVBAGLBSA-N 308.298 -0.259 5 20 DBBD Cc1cc(C(=O)NCC(=O)N2CCOCCN2)ccc1[N+](=O)[O-] 597707534 MYPGSUALYXPSQP-UHFFFAOYSA-N 322.321 -0.004 5 20 DBBD NC(=O)CCOC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 759558035 PREHIVGEYOWKMZ-UHFFFAOYSA-N 321.245 -0.391 5 20 DBBD Cn1cc([N+](=O)[O-])c(C(=O)OCc2nc(-c3nc[nH]n3)no2)n1 787768987 QVGGTLDIHPEUDA-UHFFFAOYSA-N 320.225 -0.147 5 20 DBBD Nc1c(C(=O)N2CCNC(=O)[C@@H]2CC(=O)O)cccc1[N+](=O)[O-] 833089865 BAELCICNGZWNIE-VIFPVBQESA-N 322.277 -0.408 5 20 DBBD COC(=O)COCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 862951080 OUMNYFLNARJNSD-LBPRGKRZSA-N 312.278 -0.066 5 20 DBBD Cc1c(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cnn1C 1001795830 KHRNSOCFBJHYLR-ZYHUDNBSSA-N 321.337 -0.418 5 20 DBBD COc1nccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1020138902 HGEMQYKHAXFHDE-DDHJBXDOSA-N 321.337 -0.113 5 20 DBBD Cn1ncnc1CN1C[C@H]2[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])[C@H]2C1 1025776113 YUARAWDOMQFIEO-GPTQDWHKSA-N 306.326 -0.973 5 20 DBBD O=C(NC1CN(Cc2nnc3n2CCCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1030292557 OIUFODAERPCRHY-GHMZBOCLSA-N 320.353 -0.420 5 20 DBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(CC(=O)NC2CCCC2)C1 1042705771 YKEIZUHEIXHGSG-CHWSQXEVSA-N 324.381 -0.147 5 20 DBBD NC(=O)C(=O)NCCC1(CNc2ncc([N+](=O)[O-])c(N)n2)CC1 1089986067 RWTFSVVHVLLOFP-UHFFFAOYSA-N 323.313 -0.849 5 20 DBBD CN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)[C@@H]1[C@H]2COC[C@H]21 1101906705 WEYBVLWIDRXFMA-MBTKJCJQSA-N 322.325 -0.270 5 20 DBBD CC(=O)NCC(=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1116623930 AMLJRDFJMLMLRF-UHFFFAOYSA-N 301.280 -0.464 5 20 DBBD CN1CCN(CC2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 1117775483 SNHRPFOKVMEVAV-UHFFFAOYSA-N 322.369 -0.503 5 20 DBBD CN(C(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc([N+](=O)[O-])nc1 1346955682 UXRRZRKISLNUET-UHFFFAOYSA-N 319.277 -0.336 5 20 DBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1NCCn1cnnc1 1593472291 XXPXROUWKXARGH-UHFFFAOYSA-N 302.258 -0.127 5 20 DBBD Cn1cc([N+](=O)[O-])c(C(=O)N2CC(c3cc(C(=O)O)n[nH]3)C2)n1 1600969461 KYKDCSHFTPSUON-UHFFFAOYSA-N 320.265 -0.011 5 20 DBBD CNC(=O)CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 32406094 WQSIJJCTDUQWPF-UHFFFAOYSA-N 317.323 -0.030 5 20 DBBD CNC(=O)[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 173617472 ZGYIVZOIBVJGEQ-RYUDHWBXSA-N 311.342 -0.247 5 20 DBBD CCS(=O)(=O)NCCNC(=O)c1ccc(O)c([N+](=O)[O-])c1 273398779 QGHPMDGYLYNQDL-UHFFFAOYSA-N 317.323 -0.031 5 20 DBBD NC(=O)c1cc([N+](=O)[O-])cnc1NCCCCS(N)(=O)=O 292662112 CLQYBFBVIWJBJU-UHFFFAOYSA-N 317.327 -0.431 5 20 DBBD NCC(=O)NCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 347675718 SKRHMGFCNIKPOI-VIFPVBQESA-N 322.325 -0.923 5 20 DBBD Cc1[nH]nc(C(=O)N2CCS(=O)(=O)C[C@H]2C)c1[N+](=O)[O-] 352127595 QDTFLYRPLLDWOM-ZCFIWIBFSA-N 302.312 -0.115 5 20 DBBD C[C@H]1CS(=O)(=O)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 352143193 ZZDQCQHNTYNRPW-QMMMGPOBSA-N 302.312 -0.563 5 20 DBBD CC(C)COC[C@H](O)CNC(=O)Cn1cc([N+](=O)[O-])cn1 359500437 KJHJLOSKYKDAIP-LLVKDONJSA-N 300.315 -0.059 5 20 DBBD O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCS1(=O)=O 361868914 PQRYLXRRDCAVFG-SNVBAGLBSA-N 316.339 -0.125 5 20 DBBD CNS(=O)(=O)CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 530963515 BZQUAPDULOJRTQ-UHFFFAOYSA-N 317.323 -0.361 5 20 DBBD Cc1onc(N)c1S(=O)(=O)NCCn1cc([N+](=O)[O-])cn1 572648046 LZAOERHNIIUYND-UHFFFAOYSA-N 316.299 -0.352 5 20 DBBD CN1C(=O)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1=O 580940636 BUOIBIBIZNJWNR-UHFFFAOYSA-N 310.241 -0.243 5 20 DBBD Nc1nccc(C(=O)NCCN2CCCOCC2)c1[N+](=O)[O-] 581438363 MVOHTYLVIPONGC-UHFFFAOYSA-N 309.326 0.024 5 20 DBBD NS(=O)(=O)c1ccc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)c([N+](=O)[O-])c1 589871238 HGEABHYUWKXTDI-MYJAWHEDSA-N 313.335 -0.083 5 20 DBBD Cc1nc(CN2CCC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)n[nH]1 1072725408 LRZXSBSQPHGVPO-GHMZBOCLSA-N 320.353 -0.187 5 20 DBBD Nc1nc(NCCNC(=O)c2ccnnc2)ncc1[N+](=O)[O-] 1094146292 RWVLMBDANJOSNZ-UHFFFAOYSA-N 304.270 -0.401 5 20 DBBD Cc1cc(N(C)CCNC(=O)Cn2cnnn2)ncc1[N+](=O)[O-] 1099914056 FTSTYWXBFYVSJB-UHFFFAOYSA-N 320.313 -0.463 5 20 DBBD CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1CCCCNC1=O 1320009655 JVHAIRMGITWPQY-SNVBAGLBSA-N 322.321 -0.116 5 20 DBBD C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1nncn1C 1320654548 LIHWPPTWOUXLDV-SECBINFHSA-N 320.309 -0.195 5 20 DBBD CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC(N)=O)CC1 1323818261 VZZNCAIMRUTGMX-UHFFFAOYSA-N 321.337 -0.120 5 20 DBBD O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CO)[C@@H]2CCCOC2)c1 1326520124 VPZCPMJTEQEIBU-RAIGVLPGSA-N 314.342 -0.471 5 20 DBBD CCNC(=O)CN(C)c1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1604353127 VOAPEQVYSHTFIE-UHFFFAOYSA-N 306.286 -0.258 5 20 DBBD NC(=O)[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 31672233 JKRWJJPLRSSSMV-JTQLQIEISA-N 308.294 -0.377 5 20 DBBD C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(N)=O 53329926 PEMPTZFWRXJGGF-ZETCQYMHSA-N 304.266 -0.221 5 20 DBBD O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1C[C@H](O)[C@H](O)C1 93091899 KUHHCORNNHDAPQ-DTORHVGOSA-N 322.726 -0.026 5 20 DBBD O=C(O)[C@@H](CCO)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 126505918 XXBWMWYYUIHNFQ-SSDOTTSWSA-N 322.270 -0.152 5 20 DBBD Nc1c(C(=O)N[C@@H]2CCC(=O)NC2=O)cc(F)cc1[N+](=O)[O-] 269599491 PIVOKWRNOXUFNU-SSDOTTSWSA-N 310.241 -0.149 5 20 DBBD O=C1NC(=O)N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@H]12 332640507 LLNPCFIMNFCGND-LLVKDONJSA-N 318.289 -0.100 5 20 DBBD CN(C)C[C@@](C)(O)CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 337573198 SSWORAUBXMKGDI-ZDUSSCGKSA-N 313.358 -0.045 5 20 DBBD Nc1nc(=NCc2ccc(S(N)(=O)=O)cc2)[nH]cc1[N+](=O)[O-] 338966253 SWYRIINXVSGILC-UHFFFAOYSA-N 324.322 -0.352 5 20 DBBD Cn1ncnc1COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 361447732 PYMROQBAZUYVRX-UHFFFAOYSA-N 313.295 -0.050 5 20 DBBD O=C1OC[C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCN12 363868646 XKDFTEUDRDUBFD-QWRGUYRKSA-N 311.298 -0.711 5 20 DBBD CC(C)(C(N)=O)N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 558749848 YKMAOHWMKNHZDT-UHFFFAOYSA-N 310.314 -0.660 5 20 DBBD CN(C)C(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 585817564 VDCQKTCKIFDRRI-UHFFFAOYSA-N 310.314 -0.836 5 20 DBBD CN(C)S(=O)(=O)CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 596241285 BSKIMZFGANQJAT-UHFFFAOYSA-N 316.339 -0.003 5 20 DBBD Nc1n[nH]c(CCNC(=O)COc2ccccc2[N+](=O)[O-])n1 597669008 ZOZHQRKXXVSIEV-UHFFFAOYSA-N 306.282 0.033 5 20 DBBD CN1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1=O 598598462 FVPXYRKHTDZJLV-UHFFFAOYSA-N 322.325 -0.500 5 20 DBBD Nc1ccc(C(=O)NN2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] 862738946 DDPVHIHKENAGGI-UHFFFAOYSA-N 314.323 -0.448 5 20 DBBD COc1cc(C(=O)NN2CC(=O)NC2=O)c([N+](=O)[O-])cc1OC 921245444 IHFYYRNJORCCLW-UHFFFAOYSA-N 324.249 -0.191 5 20 DBBD O=C(NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(F)F 1080653387 VSIROSLSAKIXLX-HTQZYQBOSA-N 321.280 -0.614 5 20 DBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@]1(C(=O)O)CCOC1 1600720122 DDESLONZJXRFMQ-GFCCVEGCSA-N 312.282 -0.293 5 20 DBBD COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 35160030 ZILQBTALKFUZAA-SSDOTTSWSA-N 320.279 -0.887 5 20 DBBD CS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1N 50703142 MUISXDQIKPZHFH-UHFFFAOYSA-N 302.312 -0.544 5 20 DBBD NC(=O)[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCO1 50810702 ZFWPLNXNRKZEAX-LLVKDONJSA-N 308.294 -0.281 5 20 DBBD CC[C@@H](O)CN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 106394757 DBDBDXJCFCOJKB-LLVKDONJSA-N 311.342 -0.294 5 20 DBBD CC(=O)N[C@H]1CCCN(C(=O)Cn2ncc([N+](=O)[O-])c2N)C1 152109705 SFZAXBDFNCUQBF-VIFPVBQESA-N 310.314 -0.499 5 20 DBBD COC[C@@H](O)CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 265477847 RLTFJBTZYZLBEW-VIFPVBQESA-N 305.312 -0.339 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]2CNC[C@@H]2C1 290184064 PVSGAJCSXFOUDT-GHMZBOCLSA-N 306.322 -0.176 5 20 DBBD CS(=O)(=O)C1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCC1 357257162 RXBGFZYSHWGHJS-UHFFFAOYSA-N 316.339 -0.125 5 20 DBBD COCCN(CC(=O)OC)c1nccc(C(N)=O)c1[N+](=O)[O-] 357467187 HLACTNVSGSEIML-UHFFFAOYSA-N 312.282 -0.286 5 20 DBBD C[C@H](CO)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 433698759 ZKXBUEKEMLXLTI-SECBINFHSA-N 310.310 -0.109 5 20 DBBD NS(=O)(=O)c1c(N[C@@H]2CNC(=O)C2)cccc1[N+](=O)[O-] 565751237 TUDWTABGTXEXQL-LURJTMIESA-N 300.296 -0.457 5 20 DBBD CN(C)S(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])cn1C 589582815 IFZYPYJVOBLPGO-UHFFFAOYSA-N 304.328 -0.446 5 20 DBBD CS(=O)(=O)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 768522106 HMFFGVMJDYCJNS-UHFFFAOYSA-N 305.316 -0.865 5 20 DBBD CN(C(=O)c1csnn1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954862788 XOYNAMKIMILIDO-VXNVDRBHSA-N 311.323 -0.514 5 20 DBBD C[C@@H](C[S@@](C)=O)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 1320074027 PNIRIGUJDVUOOK-FFVOIRBGSA-N 301.324 -0.360 5 20 DBBD O=C1NC2(CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CO1 1320360642 CXHSHWLTRMXHLE-UHFFFAOYSA-N 309.282 -0.108 5 20 DBBD NS(=O)(=O)c1ccc(N2C[C@H]3CNC[C@@H]3C2)c([N+](=O)[O-])c1 107571227 VICJHBHZHJAUTG-RKDXNWHRSA-N 312.351 -0.102 5 20 DBBD CNC(=O)CN1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1 274864491 BPGDYHNDKBPCHY-UHFFFAOYSA-N 323.309 -0.801 5 20 DBBD CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H](CO)NC(N)=O 288513025 XDQQGGVFBIQXNT-JTQLQIEISA-N 310.310 -0.375 5 20 DBBD C[C@@](O)(CO)CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 360109235 VKVHZPCABRJBFG-JTQLQIEISA-N 305.312 -0.603 5 20 DBBD CN(C[C@@H](O)CN1CCOCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] 548091641 DPKZWFDODUMREQ-SECBINFHSA-N 313.314 -0.917 5 20 DBBD NC(=O)[C@H]1CCCN1CCCNC(=O)c1c[nH]nc1[N+](=O)[O-] 548941795 IULPEKCTTVXZHB-SECBINFHSA-N 310.314 -0.613 5 20 DBBD CCn1c(C)nc([N+](=O)[O-])c1N1CCN2C(=O)[C@H](N)C[C@H]2C1 565232719 LJWHYVPPUHLTDZ-VHSXEESVSA-N 308.342 -0.132 5 20 DBBD N[C@@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CCN2C1=O 572135775 LMPRTUKKUOHGDZ-NXEZZACHSA-N 320.305 -0.316 5 20 DBBD CN(C[C@H](O)CN1CCOCC1)c1ccnc(O)c1[N+](=O)[O-] 596158688 HJLQZNSGUHNPFD-JTQLQIEISA-N 312.326 -0.175 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H](C(=O)O)C1CCOCC1 597161540 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COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC(O)C1 765855483 GUPJUMDBTQAVJA-UHFFFAOYSA-N 310.262 -0.002 5 20 DBBD COC(=O)[C@@H](C)S(=O)(=O)NC(=O)c1ccc([N+](=O)[O-])n1C 797284723 RQYNDNYTGLXRIL-ZCFIWIBFSA-N 319.295 -0.446 5 20 DBBD COC(=O)[C@@H]1[C@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])C[C@H]21 813623082 CGFHCORHPPJSTQ-BRPSZJMVSA-N 306.278 -0.056 5 20 DBBD NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 862681849 NATGLZXOEUZULU-OUAUKWLOSA-N 309.278 -0.925 5 20 DBBD CCn1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 954235673 ZXDJMYQPSCAKCI-VXGBXAGGSA-N 321.337 -0.149 5 20 DBBD Cc1c(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cnn1C 1000960815 ZRGFPYGEDIKEOV-ZYHUDNBSSA-N 321.337 -0.418 5 20 DBBD O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccns1 1002340118 TUXWKDCFSNEAQY-RKDXNWHRSA-N 310.335 -0.004 5 20 DBBD NC(=O)NCC(=O)NCCNc1ncc([N+](=O)[O-])cc1F 1093501099 RMEKATKEACHPJW-UHFFFAOYSA-N 300.250 -0.675 5 20 DBBD Cn1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cn2)n(C)c1=O 1093684071 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O=C(NS(=O)(=O)c1ccc2nn[nH]c2c1)[C@@H]1C[C@H]1[N+](=O)[O-] 842359847 WTUVTQSHKQSPJW-HZGVNTEJSA-N 311.279 -0.572 5 20 DBBD O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cncnc1 978741292 JCARQEGDFJEGTK-SASUGWTJSA-N 319.321 -0.234 5 20 DBBD Cn1ccc(CC(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 1001809650 YXZBOPPXQFEPIE-VXGBXAGGSA-N 321.337 -0.798 5 20 DBBD O=C(Cn1cccn1)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 1062529758 OSKDVMGDHZUHDQ-GHMZBOCLSA-N 321.337 -0.297 5 20 DBBD Nc1nc(NCCNC(=O)c2cc[n+]([O-])cc2)ncc1[N+](=O)[O-] 1093461538 FTCCQJZKYBKDMD-UHFFFAOYSA-N 319.281 -0.558 5 20 DBBD CC(C)CC(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 1251177029 WHHBBWCBTPAUOA-UHFFFAOYSA-N 324.341 -0.097 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])cc(F)c1=O)[C@@H]1CCS(=O)(=O)C1 1261480382 ODPQDDBWALGZEU-SSDOTTSWSA-N 318.282 -0.101 5 20 DBBD C[C@@H]1CC[C@H](C(=O)O)N1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1594220504 SMDXYMLEIFMLPR-RNFRBKRXSA-N 318.311 -0.046 5 20 DBBD CN1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C[C@H](C(=O)O)C1 1598612878 BTGURDHLJDDJFH-SECBINFHSA-N 323.309 -0.340 5 20 DBBD C[C@@](O)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 90277076 RJCOPYGIRDYOPF-SNVBAGLBSA-N 304.280 -0.291 5 20 DBBD CS(=O)(=O)NCCCNC(=O)c1cc([N+](=O)[O-])cnc1N 227885048 ZVHCUVPHNQLOIT-UHFFFAOYSA-N 317.327 -0.759 5 20 DBBD O=C(O)C[C@@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 263326975 SZTSSGXKBOZKOP-SECBINFHSA-N 312.282 -0.117 5 20 DBBD Cn1cc(N2CC[C@@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2=O)cn1 265436966 HEAGQIXSCJQQIB-MRVPVSSYSA-N 318.297 -0.082 5 20 DBBD C[C@H](CN1CCOCC1)N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 279362745 RWCAUUITFPZNIJ-LLVKDONJSA-N 311.342 -0.030 5 20 DBBD O=C1N[C@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@@H]2CO1 281460942 SQKMNCZFWZQTCJ-BDAKNGLRSA-N 309.282 -0.252 5 20 DBBD CCNC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 330448067 GOSPZXLLOISTBH-UHFFFAOYSA-N 323.353 -0.173 5 20 DBBD C[C@H]1CCN(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)C1 349115433 CYTJWMYWICNIDN-VIFPVBQESA-N 303.344 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305.254 -0.329 5 20 DBBD CS(=O)(=O)NC1CC(Nc2ncc([N+](=O)[O-])c(N)n2)C1 619745986 BGZZEEDJUXKQFD-UHFFFAOYSA-N 302.316 -0.541 5 20 DBBD CCN(CC(=O)NC)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] 754793567 TVTWRILQJLKTGU-UHFFFAOYSA-N 319.343 -0.432 5 20 DBBD Cn1nc(C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)ccc1=O 761385005 OFLRTDGLCMYTSI-UHFFFAOYSA-N 320.261 -0.293 5 20 DBBD COC[C@@H](C(N)=O)N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N 817936656 RCFMQDMFWPFJNX-JTQLQIEISA-N 314.273 -0.112 5 20 DBBD Cc1ncc(CC(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 954506825 PEUFVUFUVMHDGO-VXGBXAGGSA-N 322.321 -0.140 5 20 DBBD CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2ccncn2)C1 967949810 KCQDSLSUAOYVIM-ZYHUDNBSSA-N 319.321 -0.185 5 20 DBBD CCc1ncncc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 991290669 NGIYWFOIVQYDKH-BXKDBHETSA-N 319.321 -0.355 5 20 DBBD Cc1cocc1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042981201 JORLWEJSZODMJL-MWLCHTKSSA-N 323.305 -0.444 5 20 DBBD CN(CCOCCNC(=O)C(N)=O)c1ncccc1[N+](=O)[O-] 1115250525 PZFUAKRPFXMRDB-UHFFFAOYSA-N 311.298 -0.956 5 20 DBBD CN(CCOCCNc1ccccc1[N+](=O)[O-])C(=O)C(N)=O 1127457467 CRGDNUNEEYQIIT-UHFFFAOYSA-N 310.310 -0.033 5 20 DBBD CCOC(=O)[C@@H]1CNCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 1261491698 CYVSAXNRIBWSCM-VIFPVBQESA-N 311.298 -0.845 5 20 DBBD COCC(=O)NCCC(=O)OCCn1ccc([N+](=O)[O-])n1 1319056066 NXGOZSRRLIACKF-UHFFFAOYSA-N 300.271 -0.513 5 20 DBBD Cc1nn([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 1327924675 DAANDHOZSWAQIT-RKDXNWHRSA-N 316.339 -0.036 5 20 DBBD O=c1c([N+](=O)[O-])cccn1Cc1ncc(-c2nn[nH]n2)cn1 1607090170 ZEHKOSOCWKURDX-UHFFFAOYSA-N 300.238 -0.225 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCCN1CCCC1=O 298655857 ANTXHZFEBNEOGO-UHFFFAOYSA-N 322.321 -0.115 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]2NCC[C@H]2C1 368370867 RUCMETXKUWYFSY-JQWIXIFHSA-N 306.322 -0.033 5 20 DBBD Cn1cnn(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1=O 539808427 QWMFNSJMTBKGMT-UHFFFAOYSA-N 321.293 -0.315 5 20 DBBD NC(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 566489872 CQLKZTWZRJAOCZ-VHSXEESVSA-N 319.321 -0.558 5 20 DBBD NCC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(F)F 570801801 BNDNWWCJBHQQEY-MRVPVSSYSA-N 304.253 -0.145 5 20 DBBD CC(C)N(C[C@H](O)CO)S(=O)(=O)c1cccnc1[N+](=O)[O-] 574169491 CCWCOZPBQWKQSP-VIFPVBQESA-N 319.339 -0.258 5 20 DBBD CCN1CCN(C(=O)CNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 584611703 FPZSDGVYROMPNE-UHFFFAOYSA-N 324.341 -0.778 5 20 DBBD Cc1nn(CCC(=O)N[C@@H](CO)CN(C)C)c(C)c1[N+](=O)[O-] 588867223 ZISQZRBEHKKNOO-LLVKDONJSA-N 313.358 -0.163 5 20 DBBD CN1C(=O)CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O 848049564 RLIOEMDIMRWYKA-LBPRGKRZSA-N 307.262 -0.545 5 20 DBBD Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(O)n1 1000541022 WHLADDJCCMLNJV-GHMZBOCLSA-N 320.305 -0.299 5 20 DBBD NC(=O)C(=O)NC[C@H]1C[C@H](Nc2ccnc(O)c2[N+](=O)[O-])C1 1091512530 YYWNCBHXKLZUIM-LJGSYFOKSA-N 309.282 -0.513 5 20 DBBD Nc1nc(NCCNC(=O)c2ccc(O)nc2)ncc1[N+](=O)[O-] 1093607126 MWQVHIJJYDEOBE-UHFFFAOYSA-N 319.281 -0.091 5 20 DBBD Cc1nc[nH]c1C(=O)NCCNCc1c([N+](=O)[O-])ncn1C 1153816621 FWDRXECHABBMOV-UHFFFAOYSA-N 307.314 -0.121 5 20 DBBD Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)CN1CCCC1=O 1338768282 VFLVFXPREAYFFP-JTQLQIEISA-N 322.321 -0.110 5 20 DBBD C[C@](NC(=O)[C@H]1CC(=O)N1)(C(=O)O)c1cccc([N+](=O)[O-])c1 1592999393 ZUNGBVCOBHKKAV-NOZJJQNGSA-N 307.262 -0.101 5 20 DBBD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CO)C(=O)O 1600230108 UDUDRJIHHFKQRX-ZETCQYMHSA-N 322.270 -0.234 5 20 DBBD O=[N+]([O-])c1cn(C[C@H]2CCC3(COC3)O2)nc1-c1nn[nH]n1 1607085396 SGQYRPVEPODERY-SSDOTTSWSA-N 307.270 -0.081 5 20 DBBD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[C@@H](O)C1 266884212 BJRICUNLIHQHQZ-MRVPVSSYSA-N 319.273 -0.216 5 20 DBBD O=[N+]([O-])c1cccc(OC[C@@H](O)CN2C[C@@H](O)C[C@H]2CO)c1 274511097 VFJLEEHQBHVWFW-AVGNSLFASA-N 312.322 -0.238 5 20 DBBD COC(=O)[C@@H]1CC[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)O1 355164719 NYFVSKOGJYLGSO-ZJUUUORDSA-N 312.282 -0.372 5 20 DBBD C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N 356593289 NDPJLQJGUSDYEW-IMTBSYHQSA-N 314.323 -0.265 5 20 DBBD CN1CC[C@](O)(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 358207273 ZEYPWQDMSAKDPI-LBPRGKRZSA-N 315.351 -0.060 5 20 DBBD CS(=O)(=O)[C@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 359732926 XDXCPVBCBBCIQR-VIFPVBQESA-N 316.339 -0.173 5 20 DBBD COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](O)[C@H](N(C)C)C2)n1 359982656 YACOIAJBVZEXJR-GHMZBOCLSA-N 310.310 -0.113 5 20 DBBD COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCN2CCNC2=O)c1 361086015 LJUINCVJSPOGJW-UHFFFAOYSA-N 310.266 -0.432 5 20 DBBD O=C(N[C@@H]1CCc2nnnn2CC1)c1cc([N+](=O)[O-])cnc1O 422126000 BVULZGUEFBJFCP-SSDOTTSWSA-N 319.281 -0.183 5 20 DBBD CNC(=O)[C@@H]1CN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CCO1 439170258 STPXETLJSKRDFP-JTQLQIEISA-N 324.293 -0.272 5 20 DBBD COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CNC(=O)C1 440470245 XCLKOCDMEXQNLQ-ZETCQYMHSA-N 322.277 -0.453 5 20 DBBD COc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(CC(N)=O)nn1 487094389 BLHIENQYEJPQDK-UHFFFAOYSA-N 320.265 -0.068 5 20 DBBD O=C1CN(CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CCN1 543762218 BOPKAFVMGTUMHV-UHFFFAOYSA-N 321.337 -0.174 5 20 DBBD CN(C)C[C@H](CO)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 597652459 CEYCECFOJVUNSJ-MRVPVSSYSA-N 311.294 -0.024 5 20 DBBD CC(C)[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(N)=O 599229109 RATIAFXHOOMPDY-SSDOTTSWSA-N 305.316 -0.884 5 20 DBBD Cn1cc(C(=O)OCCn2ccc([N+](=O)[O-])n2)c(=O)n(C)c1=O 748125603 GGINFECHHZYQNE-UHFFFAOYSA-N 323.265 -0.954 5 20 DBBD CS(=O)(=O)CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] 818963136 HXSKQFSUOOEWJZ-JTQLQIEISA-N 318.351 -0.031 5 20 DBBD CNS(=O)(=O)CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 823957362 YEQFVJIHESTVQK-UHFFFAOYSA-N 317.327 -0.152 5 20 DBBD C[C@@H](C(=O)NCC(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 826004800 KAKUGWLYNCQDLD-ZETCQYMHSA-N 316.291 -0.042 5 20 DBBD O=C(N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21)c1cc[nH]n1 976190327 AWVZDLSKABLZFW-KFIJRQPUSA-N 305.294 -0.739 5 20 DBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(CCN(CCOCCO)C2)C1 1147506267 FFYHQDMDXNRDSA-VXGBXAGGSA-N 313.354 -0.805 5 20 DBBD Cn1cc([N+](=O)[O-])cc1C(=O)O[C@@H]1CCN(CC(=O)O)C1=O 1605501424 PQXJPSGNGZPTPX-SECBINFHSA-N 311.250 -0.224 5 20 DBBD O=C(N[C@@]1(C(=O)O)CCOC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 1605736458 LJPVSMASWVDZMH-GWCFXTLKSA-N 310.262 -0.012 5 20 DBBD CN(C)C(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 8134953 UZJSPWBWASTGLW-UHFFFAOYSA-N 309.278 -0.044 5 20 DBBD COC[C@@H](O)CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 71270527 FLUXNTKIAIEJKG-QMMMGPOBSA-N 320.323 -0.111 5 20 DBBD C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)CN1CCOCC1 265715642 IRJHULLQBMBNCY-NSHDSACASA-N 311.342 -0.124 5 20 DBBD CCCS(=O)(=O)CC(=O)NCCn1cc([N+](=O)[O-])cn1 269178543 JEQLZVHBALKQTM-UHFFFAOYSA-N 304.328 -0.268 5 20 DBBD CCS(=O)(=O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1N 276089118 PXIVJGJXODCGGT-UHFFFAOYSA-N 316.339 -0.154 5 20 DBBD COC(=O)[C@H]1C[C@@H](O)CN1CCn1cc([N+](=O)[O-])ccc1=O 276686309 WXKGICXMZGSMRT-GHMZBOCLSA-N 311.294 -0.635 5 20 DBBD Nc1nc(NC2CCC3(CC2)NC(=O)NC3=O)ncc1[N+](=O)[O-] 286196785 AMUGRWGJHQDNSU-UHFFFAOYSA-N 321.297 -0.100 5 20 DBBD Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CS(=O)(=O)CCO1 534349366 RAUDWBCXIASQNQ-SECBINFHSA-N 317.323 -0.523 5 20 DBBD O=C(COC1CNC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 583378753 KFCIIGBCQOQITD-UHFFFAOYSA-N 321.337 -0.373 5 20 DBBD CS(=O)(=O)N1CC(CNc2ccnc(O)c2[N+](=O)[O-])C1 596211139 YZWJCLQHWLHELK-UHFFFAOYSA-N 302.312 -0.001 5 20 DBBD NC(=O)CS(=O)(=O)NC(=O)Cc1ccc([N+](=O)[O-])cc1 766924793 VZFQZEDOFQMEKS-UHFFFAOYSA-N 301.280 -0.931 5 20 DBBD Cc1nc(O)[nH]c1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 994052303 HKXPUKOETRDFGL-HTQZYQBOSA-N 309.282 -0.970 5 20 DBBD Cn1cnc(CNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)n1 1323044357 KHIZNCUKUYWRKG-UHFFFAOYSA-N 318.293 -0.344 5 20 DBBD C[C@@H]1CN2CCN1C[C@H]2C(=O)NCCn1cc([N+](=O)[O-])cn1 1528038128 UUDVNNSHYCEMSD-PWSUYJOCSA-N 308.342 -0.704 5 20 DBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1NCCn1cnnn1 1593475731 SODCTMLGYMKOHV-UHFFFAOYSA-N 302.258 -0.127 5 20 DBBD NC(=O)NC(=O)CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 198352175 MFVAREBNZKLYBX-UHFFFAOYSA-N 306.234 -0.224 5 20 DBBD CC(C)N1C(=O)C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2O)C1=O 267592676 OJWRJZWRYPTLQD-SECBINFHSA-N 322.277 -0.039 5 20 DBBD CCc1[nH]nc(C(=O)N2CCO[C@H](C(=O)NC)C2)c1[N+](=O)[O-] 272715481 AOUCCPXAAWBPGQ-QMMMGPOBSA-N 311.298 -0.533 5 20 DBBD C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)S(N)(=O)=O 350619865 KPBZAPORMXSPGR-ZCFIWIBFSA-N 302.312 -0.416 5 20 DBBD CCn1cc(S(=O)(=O)NC[C@@](C)(O)COC)c([N+](=O)[O-])n1 535837478 KKBXHXWEIWPEFH-SNVBAGLBSA-N 322.343 -0.513 5 20 DBBD N[C@H]1C[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O 574771463 XFFBNLZHTFPNAK-NEPJUHHUSA-N 304.306 -0.021 5 20 DBBD CCn1cc(S(=O)(=O)N2C[C@@H](O)[C@H](OC)C2)c([N+](=O)[O-])n1 594779253 KZHDJEQGFPZBBX-HTQZYQBOSA-N 320.327 -0.809 5 20 DBBD CN(C)C(=O)CN1CCN(c2ccnc(O)c2[N+](=O)[O-])CC1 596057865 CNUNZEXJKMJLSP-UHFFFAOYSA-N 309.326 -0.094 5 20 DBBD COCC1(O)CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 598627148 FDBLAYBLPNUECS-UHFFFAOYSA-N 317.323 -0.560 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCCc1nc[nH]n1 619581157 VPIUXCLTIZVQML-UHFFFAOYSA-N 306.282 -0.376 5 20 DBBD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCCOCCO 740185273 VEKSBZOITZYBHM-UHFFFAOYSA-N 312.278 -0.123 5 20 DBBD CN(C(=O)c1ccn(C)c1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954048173 HDRWEDATTHXGTH-VXGBXAGGSA-N 306.322 -0.027 5 20 DBBD Cc1cnc(CN2C[C@H]3[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])[C@H]3C2)cn1 1025778067 QJGAZDRHKYMXSN-RGDJUOJXSA-N 317.349 -0.003 5 20 DBBD Cn1ccnc1CN1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 1048814351 HAZYKOFAQXWDPZ-YVECIDJPSA-N 319.365 -0.025 5 20 DBBD Cc1ccnc(NCCNC(=O)CCNC(N)=O)c1[N+](=O)[O-] 1093623423 LPXQIWVJUBVYRL-UHFFFAOYSA-N 310.314 -0.115 5 20 DBBD O=C(Cn1nccn1)NCCNc1ncc([N+](=O)[O-])cc1F 1093903736 YLDTWTXOCBTTLT-UHFFFAOYSA-N 309.261 -0.051 5 20 DBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CCCN(CC(N)=O)C1 1116050675 UBLDIZDBABIFQU-SNVBAGLBSA-N 324.341 -0.834 5 20 DBBD CN(C(=O)c1cc([N+](=O)[O-])cnc1O)[C@H]1CCS(=O)(=O)C1 1248480204 BEOOFQKDOZGUDD-ZETCQYMHSA-N 315.307 -0.046 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC1(O)CCOCC1 1320380111 JCMQXHXWSULAPZ-UHFFFAOYSA-N 311.294 -0.586 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])cn1)OC[C@H]1CCS(=O)(=O)C1 1326709064 MKQCZOFUJWGMOF-MRVPVSSYSA-N 303.296 -0.231 5 20 DBBD Cc1[nH]nc(C(=O)NC2CCN(CC(=O)O)CC2)c1[N+](=O)[O-] 1605066049 YIRIGBCEHAFVCG-UHFFFAOYSA-N 311.298 -0.095 5 20 DBBD COC(=O)[C@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C 267670953 DVGVCIVTQAIBPT-SECBINFHSA-N 312.282 -0.500 5 20 DBBD NC(=O)[C@H]1CCCN1CCCNC(=O)c1cc([N+](=O)[O-])[nH]n1 285480894 ONWREJFHMCVZFH-SECBINFHSA-N 310.314 -0.613 5 20 DBBD O=[N+]([O-])c1ccccc1CS(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 316556836 SFVJOZNSMBKDAY-PWSUYJOCSA-N 316.335 -0.290 5 20 DBBD CS(=O)(=O)NCCNC(=O)c1c(N)cccc1[N+](=O)[O-] 354347688 ZTNXUOGUOCJOBF-UHFFFAOYSA-N 302.312 -0.544 5 20 DBBD NC(=O)Cn1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])nn1 361880486 POAQSSMNUXUNLU-UHFFFAOYSA-N 318.293 -0.356 5 20 DBBD C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C(=O)NCCN(C)C 573695265 FFFXOVCTKHLEBC-MRVPVSSYSA-N 324.341 -0.632 5 20 DBBD CN(C)C[C@@H](CO)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 589102058 XFHVTGLEHNDGKX-QMMMGPOBSA-N 318.355 -0.423 5 20 DBBD CC1(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)COC1 847892755 IYHZRJWZXXDMNN-UHFFFAOYSA-N 301.280 -0.169 5 20 DBBD O=C(NCC1CN(C(=O)c2ccnnc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001802675 LJCAIHCWXHXSLL-GHMZBOCLSA-N 305.294 -0.670 5 20 DBBD O=C(c1cc[n+]([O-])cc1)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1010117577 WXQUKFPHULPDLK-VXGBXAGGSA-N 320.305 -0.730 5 20 DBBD Cn1ncc(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)n1 1063638611 GTQFTJWPSRHURE-PSASIEDQSA-N 322.325 -0.751 5 20 DBBD CS(=O)(=O)[C@@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 1326799693 MGSVZNUKUYVGBZ-SSDOTTSWSA-N 314.323 -0.169 5 20 DBBD O=C(O)C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O 93091643 AAVZAXHDSZKDFT-ZCFIWIBFSA-N 318.263 -0.199 5 20 DBBD C[C@H](O)CN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 248822220 BYSVVWLQHHIHCL-QWRGUYRKSA-N 311.342 -0.295 5 20 DBBD CCc1nn(C)c(NCCNS(=O)(=O)N(C)C)c1[N+](=O)[O-] 295686005 NGXMJLMOFWWGHP-UHFFFAOYSA-N 320.375 -0.301 5 20 DBBD Cn1nncc1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 340987224 VUFASTLQAUYBTI-UHFFFAOYSA-N 312.311 -0.017 5 20 DBBD CCn1cc(S(=O)(=O)N[C@@H](C(N)=O)C(C)C)c([N+](=O)[O-])n1 344942562 BSBMYULAHSLVAJ-MRVPVSSYSA-N 319.343 -0.401 5 20 DBBD C[C@@H](Sc1ncc([N+](=O)[O-])c(N)n1)C(=O)N1CCNC1=O 571778363 KCFAIJPPLISTMW-RXMQYKEDSA-N 312.311 -0.001 5 20 DBBD NC(=O)CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 746297891 BJAGEBZHJPOJHT-UHFFFAOYSA-N 321.337 -0.144 5 20 DBBD CC[C@@]1(C)NC(=O)N(NC(=O)c2cc([N+](=O)[O-])cnc2N)C1=O 769835870 BSIRIBHZUAEPKC-GFCCVEGCSA-N 322.281 -0.063 5 20 DBBD COC[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(N)=O 778943683 HZEFYHJREUBFRB-ZETCQYMHSA-N 311.250 -0.446 5 20 DBBD COC[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(N)=O 782961044 FCANAGIRCWJVJR-RXMQYKEDSA-N 323.352 -0.028 5 20 DBBD COC(=O)CNC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1F 834799472 BDBVNEHYGCCTCC-UHFFFAOYSA-N 313.241 -0.247 5 20 DBBD O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccncc1F 990598742 NDLQUZKYNJRREM-MWLCHTKSSA-N 308.269 -0.174 5 20 DBBD C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1c([N+](=O)[O-])cnn1C 1116432542 SMLPUHGRRJLBIW-JGVFFNPUSA-N 316.339 -0.024 5 20 DBBD Cc1c(C(=O)N2CC(=O)NCC23CNC3)cccc1[N+](=O)[O-] 1579520008 ZMKRJXSXCTZUNL-UHFFFAOYSA-N 304.306 -0.183 5 20 DBBD C[C@@H](C(=O)N1CCNC1=O)n1cc([N+](=O)[O-])c(-c2nn[nH]n2)n1 1588960249 QOIQCWRWNBTUHR-YFKPBYRVSA-N 321.257 -0.916 5 20 DBBD C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1C(=O)O 1607439082 AQOUQVTXAACPCC-RNFRBKRXSA-N 318.311 -0.331 5 20 DBBD Cn1cnc([N+](=O)[O-])c1N1CCC[C@H](NS(C)(=O)=O)C1 29625543 SKUASCMMMKTNCL-QMMMGPOBSA-N 303.344 -0.154 5 20 DBBD CS(=O)(=O)c1ccc(NC[C@H](O)C(N)=O)c([N+](=O)[O-])c1 227830026 FHYMLPNRKKAJTO-VIFPVBQESA-N 303.296 -0.744 5 20 DBBD COC(=O)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)O 275798523 PGANSNGRXOBSJW-GMSGAONNSA-N 318.307 -0.205 5 20 DBBD CCCN(C(=O)c1cc([N+](=O)[O-])[nH]n1)[C@H]1CC(=O)N(C)C1=O 288712093 CILJLBJLEHVGNT-QMMMGPOBSA-N 309.282 -0.073 5 20 DBBD COCCN1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1=O 351950048 SRVZTCMHTZOZMJ-UHFFFAOYSA-N 323.309 -0.497 5 20 DBBD C[C@H](CN1CCCC1=O)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 562492484 PRZBRMVSACHCCE-PWSUYJOCSA-N 311.342 -0.247 5 20 DBBD O=C1C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 566969193 YCNSDKNBOJRBHJ-JOYOIKCWSA-N 309.326 -0.495 5 20 DBBD COc1ccc(CNC(=O)C(=O)N[C@H]2CCNC2)cc1[N+](=O)[O-] 574585377 UVQVXGDTHOXUQH-JTQLQIEISA-N 322.321 -0.302 5 20 DBBD O=C1CCOC[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] 599441667 HHQWAIARKVSXQX-SSDOTTSWSA-N 301.280 -0.374 5 20 DBBD CNC(=O)[C@H](O)CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] 757724481 GPEUFJKWELDBSK-SECBINFHSA-N 317.323 -0.712 5 20 DBBD Cn1c(C(=O)NS(=O)(=O)c2cnccn2)ccc1[N+](=O)[O-] 758576490 CQJJMXJEOJAONX-UHFFFAOYSA-N 311.279 -0.158 5 20 DBBD C[C@@H]1CN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC(=O)N1 840131645 BQAVKCQYKMYYCY-MRVPVSSYSA-N 318.289 -0.031 5 20 DBBD O=C(Cc1cnc[nH]1)NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 946706832 PZCKIURUZSESRX-VXGBXAGGSA-N 321.337 -0.275 5 20 DBBD Cc1nc[nH]c1CC(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954239795 PVGFHURARYIILV-ZYHUDNBSSA-N 321.337 -0.405 5 20 DBBD Cn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 979461161 UPDXWEWFRQJZQQ-HJQYOEGKSA-N 321.337 -0.290 5 20 DBBD Cn1cnc([N+](=O)[O-])c1CN1CC(NC(=O)c2ccon2)C1 1030120393 HHEMJYBHRQTFEZ-UHFFFAOYSA-N 306.282 -0.070 5 20 DBBD CCN(CCNc1ncccc1[N+](=O)[O-])C(=O)CNC(N)=O 1106689677 CFBCSCSIVVMVHR-UHFFFAOYSA-N 310.314 -0.082 5 20 DBBD CC(=O)NCC(=O)N1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 1261792777 LIFZVURKPGOSAJ-UHFFFAOYSA-N 324.341 -0.497 5 20 DBBD O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1nnc2n1CCC2 1319246259 VRZMSYNPARSENU-UHFFFAOYSA-N 320.313 -0.172 5 20 DBBD NC(=O)c1cc([N+](=O)[O-])cn(Cc2cn3cccnc3n2)c1=O 1321650260 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Cc1nc(CN2CCN(C(=O)c3cc([N+](=O)[O-])[nH]n3)CC2)no1 285519392 ZAZZAGVNNQPPAW-UHFFFAOYSA-N 321.297 -0.033 5 20 DBBD NS(=O)(=O)CCOCCNC(=O)c1ccc([N+](=O)[O-])o1 340854904 ZLLLOQMHGCTMBI-UHFFFAOYSA-N 307.284 -0.777 5 20 DBBD CCn1cc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C)c([N+](=O)[O-])n1 349982729 GJLXVCFRRAVHND-JGVFFNPUSA-N 304.328 -0.045 5 20 DBBD CCn1cc(S(=O)(=O)N[C@H]2[C@@H]3CNC[C@@H]32)c([N+](=O)[O-])n1 427961459 YJALMQZONSLMLX-QMSLJYSESA-N 301.328 -0.693 5 20 DBBD O=C(Cn1cnnc1O)N1CCc2ncc([N+](=O)[O-])cc2C1 444291691 QVEZKBVJTVQJQO-UHFFFAOYSA-N 304.266 -0.128 5 20 DBBD O=C(Cn1ccc([N+](=O)[O-])n1)NCc1nnnn1CC1CC1 471677578 QKLUQIKCJULGDQ-UHFFFAOYSA-N 306.286 -0.496 5 20 DBBD O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccc([N+](=O)[O-])cc1F 519784848 VMVVNCRWEKKFAH-NXEZZACHSA-N 318.282 -0.378 5 20 DBBD CC[C@@H]1C(=O)NCCN1C(=O)c1ccnc(NC)c1[N+](=O)[O-] 565177662 AFPWNZPQTYSRSV-SECBINFHSA-N 307.310 0.382 5 20 DBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](N2CCNCC2=O)C1 566206938 HAAZVXVTRXBZPQ-SECBINFHSA-N 322.325 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1589998728 YTDUEZKHWONEKU-NJGYIYPDSA-N 300.300 -0.010 5 20 DBBD COC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)O 1599178317 OITPAGANXBPLND-ZETCQYMHSA-N 305.268 -0.632 5 20 DBBD COC[C@H](O)CNc1cc(N)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 1605129723 SSHZQMKKXDRCAQ-SSDOTTSWSA-N 309.286 -0.224 5 20 DBBD COC[C@H](CO)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] 234815687 CFGQBSYJCCAMHR-QMMMGPOBSA-N 320.323 -0.111 5 20 DBBD C[C@@H](C(=O)NC(N)=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 298070951 LBASOKWUKUJMNP-VIFPVBQESA-N 322.325 -0.305 5 20 DBBD NC(=O)Cn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1 356292991 KVBKVBZJHQDESO-UHFFFAOYSA-N 306.238 -0.371 5 20 DBBD O=C1C[C@@H](C(=O)NCCc2ccc([N+](=O)[O-])cc2)NC(=O)N1 596896852 MXJRIRFWZYVKDZ-JTQLQIEISA-N 306.278 -0.148 5 20 DBBD COC[C@](C)(NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)O 600664908 JMSVJILSNHJXOH-VIFPVBQESA-N 322.299 -0.904 5 20 DBBD O=C(O)CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 740480886 HHAAGMJARQWUFU-UHFFFAOYSA-N 321.245 -0.218 5 20 DBBD C[C@@H](COC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)[N+](=O)[O-] 813113232 CGPTVCXJFAYDQG-JGVFFNPUSA-N 320.327 -0.705 5 20 DBBD CCn1ncn(NC(=O)c2ccnc(NC)c2[N+](=O)[O-])c1=O 854629128 ZRCUAEHGMBNZQI-UHFFFAOYSA-N 307.270 -0.207 5 20 DBBD O=C(NCC1CN(C(=O)c2ccc(O)nc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001801718 AXJPEICBJMPHDF-GHMZBOCLSA-N 320.305 -0.359 5 20 DBBD Cc1cc(CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n[nH]1 1010972837 SABLVYNFASMUKH-VXGBXAGGSA-N 321.337 -0.403 5 20 DBBD Cc1cc(N(C)CCNC(=O)CNC(N)=O)ncc1[N+](=O)[O-] 1099910442 CEXHDXAXDRJWCU-UHFFFAOYSA-N 310.314 -0.481 5 20 DBBD CN1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 1318302057 KQMFERNFYPYZGX-UHFFFAOYSA-N 323.353 -0.880 5 20 DBBD CN(CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(F)F 1336774727 WXYULOZYMMILSS-SNVBAGLBSA-N 307.301 -0.061 5 20 DBBD C[C@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H](CO)O1 1343432817 IWINOKNDFDJTOY-VHSXEESVSA-N 311.294 -0.635 5 20 DBBD O=[N+]([O-])c1ccc(N2CC[C@H](CO)[C@H](O)C2)cc1-c1nn[nH]n1 1607081350 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O=[N+]([O-])c1cnn(C[C@H](O)CNCCOC[C@@H]2CCCO2)c1 591740130 WCYDCZFCFQTDRC-OLZOCXBDSA-N 314.342 -0.063 5 20 DBBD COC(=O)c1ccc(OCC(=O)NCC(=O)O)c([N+](=O)[O-])c1 739788883 SFXLTTQBTMTSFD-UHFFFAOYSA-N 312.234 -0.039 5 20 DBBD COC(=O)CNC(=O)COC(=O)Cc1ccccc1[N+](=O)[O-] 767661717 GEAVLQWSMSFAGH-UHFFFAOYSA-N 310.262 -0.030 5 20 DBBD O=[N+]([O-])c1cccc([C@H](O)CNC[C@H](O)Cn2ccnn2)c1 843115000 FMPQYXGKPIYPKB-QWHCGFSZSA-N 307.310 -0.130 5 20 DBBD CN(C(=O)c1cncn1C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954690199 BLXUDYDIWNJJEX-NXEZZACHSA-N 307.310 -0.632 5 20 DBBD O=C(Cc1cnc[nH]1)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 973256039 NKWFGKVJIGWPFW-YJFSRANCSA-N 307.310 -0.619 5 20 DBBD O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cncs1 1001085715 YWHVCUDESJRQHN-RKDXNWHRSA-N 310.335 -0.004 5 20 DBBD Cn1cc(C(=O)NCCNc2ccnc(O)c2[N+](=O)[O-])nn1 1093590303 PVUOROANBIQDAY-UHFFFAOYSA-N 307.270 -0.334 5 20 DBBD Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2nnn(C)n2)n1 1094043232 WZLMBAUJCPKOCG-UHFFFAOYSA-N 306.286 -0.336 5 20 DBBD CC[C@@H]1C(=O)NCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1116343155 ZNKRUXZJUGLLCC-SECBINFHSA-N 308.294 -0.507 5 20 DBBD COC[C@H](C)CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 1117121356 DJRCECBBMKPVDH-SECBINFHSA-N 313.314 -0.694 5 20 DBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(C(=O)N2CCOCC2)CC1 1117943166 QPGPJSQVZVBAAB-GHMZBOCLSA-N 312.326 -0.752 5 20 DBBD CCOC(=O)[C@@H]1CNCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 1326309837 RUBGSBWRWJOYPO-JTQLQIEISA-N 311.298 -0.845 5 20 DBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1C[C@H]2COC[C@@H](C1)O2 1593470884 PBTUGSVQBBMJHU-DTORHVGOSA-N 319.281 -0.226 5 20 DBBD CNC(=O)CN1CCN(c2nc(C(=O)O)ccc2[N+](=O)[O-])CC1 1598644446 ACIVYBQVUJRCPL-UHFFFAOYSA-N 323.309 -0.444 5 20 DBBD O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC(O)(C(=O)O)C1 1609027632 JOGFXXSTPNIRQC-UHFFFAOYSA-N 324.245 -0.363 5 20 DBBD NC(=O)COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 11390127 DQGGWLLZYCJXGV-UHFFFAOYSA-N 307.218 -0.781 5 20 DBBD C[C@@H](O)CN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 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C[C@@H](O)[C@@H](CO)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 564974773 HYCGKCTXLDXLSM-IRUJWGPZSA-N 300.311 -0.334 5 20 DBBD COC(=O)c1cnc(N2CC[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 566950906 OVZBZZVAHXLOHK-LDYMZIIASA-N 311.294 -0.044 5 20 DBBD CNc1nccc(C(=O)N[C@H](C(=O)OC)[C@@H](C)O)c1[N+](=O)[O-] 594342409 HGOYSQISAIPLHF-SVRRBLITSA-N 312.282 -0.316 5 20 DBBD CNc1nccc(C(=O)NCCCC2=NNC(=O)C2)c1[N+](=O)[O-] 597665528 QANHQDMXYUOHTO-UHFFFAOYSA-N 320.309 0.417 5 20 DBBD CC(C)[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)O 600656923 YLDWMGFSHNGALH-ZETCQYMHSA-N 320.327 -0.037 5 20 DBBD CN1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 603928310 NABNVSLHFAZYNQ-UHFFFAOYSA-N 300.340 -0.006 5 20 DBBD CNS(=O)(=O)[C@H]1CCCN(Cn2cc([N+](=O)[O-])cn2)C1 733301692 WHZSFOBXBTXYJC-JTQLQIEISA-N 303.344 -0.238 5 20 DBBD COC(CN(CCCO)C(=O)c1n[nH]cc1[N+](=O)[O-])OC 787280976 WXNAAARYELLGHO-UHFFFAOYSA-N 302.287 -0.239 5 20 DBBD Cc1cnoc1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 977107027 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C[C@H]1CN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC(=O)N1C 1590314256 AXDNQHGTHDAWOB-ZETCQYMHSA-N 318.297 -0.163 5 20 DBBD O=[N+]([O-])c1ccc(NCCn2cnnn2)c(-c2nn[nH]n2)c1 1593479107 UGMJNGCNSOOINP-UHFFFAOYSA-N 302.258 -0.127 5 20 DBBD CO[C@H](C(=O)O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1604422598 STCRSLDLLSQYIV-JTQLQIEISA-N 324.293 -0.262 5 20 DBBD CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 45031083 PKCYXLZKIFJVGC-UHFFFAOYSA-N 309.326 -0.183 5 20 DBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCS(C)(=O)=O 195348319 PBMWSAHHYFQGKC-UHFFFAOYSA-N 304.328 -0.349 5 20 DBBD COC(=O)[C@@H](O)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 226552239 FZTDVPNYSXGXSP-JTQLQIEISA-N 318.307 -0.452 5 20 DBBD CC(C)(C)[C@H](NC(N)=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 282710957 PNKCEQYCPHEZDD-SECBINFHSA-N 312.330 -0.010 5 20 DBBD CC[C@@H](CNS(C)(=O)=O)NC(=O)c1ccc([N+](=O)[O-])[nH]1 297027701 UVHLANQDLSNPRM-ZETCQYMHSA-N 304.328 -0.020 5 20 DBBD Cn1c(C(=O)N[C@H]2COC[C@H]2n2ccnn2)ccc1[N+](=O)[O-] 331649923 RNXZOEASYBBDFH-WCBMZHEXSA-N 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Cn1nncc1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O 808115906 YIEGOAACIKHPKR-UHFFFAOYSA-N 312.311 -0.017 5 20 DBBD Cc1nnc(CN2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1C1CC1 1030292863 ZJHHLERJILESQX-VXGBXAGGSA-N 320.353 -0.113 5 20 DBBD CCn1nnc(C)c1CN1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1031661567 CEMADHQHVRWRAT-VXGBXAGGSA-N 322.369 -0.180 5 20 DBBD O=C(O)CNC(=O)c1ccc(N[C@H]2CNC(=O)C2)c([N+](=O)[O-])c1 1608755430 SKHQSYBEOJJWBW-MRVPVSSYSA-N 322.277 -0.290 5 20 DBBD O=C(C[C@@H]1NC(=O)NC1=O)NCCNc1ccc([N+](=O)[O-])cc1 10433491 RCNYYXNCVIAXDL-JTQLQIEISA-N 321.293 -0.279 5 20 DBBD COC(=O)[C@@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 231649378 BOKSVQYLWGUGFP-VIFPVBQESA-N 318.307 -0.285 5 20 DBBD C[C@](O)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)O 262535577 QHLSKDXBCOUVRM-NSHDSACASA-N 301.230 -0.119 5 20 DBBD COC[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1 269024615 GPQKXUOUGBGOCV-LLVKDONJSA-N 313.314 -0.152 5 20 DBBD CNC(=O)[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCO1 273088964 JCQHIOWMBOIKKB-LBPRGKRZSA-N 323.305 -0.053 5 20 DBBD CNC(=O)c1ccc(N2CCC(O)(C(N)=O)CC2)c([N+](=O)[O-])c1 336876423 SHWRIAGQTCSXBK-UHFFFAOYSA-N 322.321 -0.229 5 20 DBBD CN1CCN(CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 340195257 CWHDJAUEBNDJCA-UHFFFAOYSA-N 310.358 -0.455 5 20 DBBD O=C(CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)NCCO 343126704 MYPNCJCHVILNGC-UHFFFAOYSA-N 306.278 -0.086 5 20 DBBD COC(=O)[C@@H](O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 345203947 DWXOOWRPKYVPFC-VIFPVBQESA-N 308.250 -0.265 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])cn1)NC1(c2nn[nH]n2)CCCC1 345557858 XQXYBOQANVXPRE-UHFFFAOYSA-N 306.286 -0.110 5 20 DBBD NC(=O)[C@]1(O)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 355073068 SITKIGDIDLNPQP-ZDUSSCGKSA-N 311.269 -0.275 5 20 DBBD COc1c(C(=O)NCCN2CCNC(=O)C2)cccc1[N+](=O)[O-] 356746348 YSKXTDDERBZAEY-UHFFFAOYSA-N 322.321 -0.235 5 20 DBBD Nc1nccc(C(=O)NCCCc2nc(O)n[nH]2)c1[N+](=O)[O-] 563412293 LOAKDLPCYXYGIZ-UHFFFAOYSA-N 307.270 -0.242 5 20 DBBD Cc1c(CNC(=O)C(=O)N[C@H]2CCNC2)cccc1[N+](=O)[O-] 566808692 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CCN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)CC(N)=O 1106704574 RGWJJGAXMBAMNZ-UHFFFAOYSA-N 311.302 -0.897 5 20 DBBD CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCS(=O)(=O)C1 1337328393 VLMJNRUHUMSAGX-QMMMGPOBSA-N 316.339 -0.023 5 20 DBBD C[C@H]1CN(CCn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)CCO1 1590308337 MARCTOKPNXVVOT-QMMMGPOBSA-N 308.302 -0.308 5 20 DBBD O=C(O)c1cn([C@H]2CCN(Cn3nccc3[N+](=O)[O-])C2)nn1 1602500460 FYJOZOWSEOPEHV-QMMMGPOBSA-N 307.270 -0.015 5 20 DBBD Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCOC[C@H]1CC(=O)O 1607985601 YMICCIUKYSBWHW-SECBINFHSA-N 312.282 -0.198 5 20 DBBD O=C1NC[C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CCN2C1=O 177110580 PAGAWQATWNUUHX-VIFPVBQESA-N 322.296 -0.124 5 20 DBBD COc1ccc(C(=O)NCC(=O)N2CC(O)C2)cc1[N+](=O)[O-] 270376260 AMSXMBWUGHGPLI-UHFFFAOYSA-N 309.278 -0.464 5 20 DBBD C[C@@H](O)C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 270837815 MYXUAAUKCCHROD-SECBINFHSA-N 322.321 -0.158 5 20 DBBD NC(=O)[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 273574428 DSGHCNFZZLETMK-JTQLQIEISA-N 315.307 -0.530 5 20 DBBD C[C@@H](CN)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 347694929 UXOGJMQSIUSJIP-VIFPVBQESA-N 309.326 -0.143 5 20 DBBD CCn1cc(S(=O)(=O)N(C)[C@@H]2COC[C@H]2O)c([N+](=O)[O-])n1 352311063 QYJHJQMXWPSKCA-HTQZYQBOSA-N 320.327 -0.809 5 20 DBBD C[C@@H](CC(N)=O)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 353364110 NZLVDTDDSGWILC-QMMMGPOBSA-N 308.294 -0.295 5 20 DBBD Cc1cc(S(=O)(=O)NCc2nnn(C)n2)ccc1[N+](=O)[O-] 362986935 OWKMYFJPPHOGDF-UHFFFAOYSA-N 312.311 -0.095 5 20 DBBD Nc1nc(=NC[C@@H]2CCC[C@]23NC(=O)NC3=O)[nH]cc1[N+](=O)[O-] 365762961 GUTPJXHKKPTWQN-QTTZVWFDSA-N 321.297 -0.821 5 20 DBBD COC(=O)[C@@H](O)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 537606650 KSZNPGMMIOYXFB-QMMMGPOBSA-N 312.234 -0.413 5 20 DBBD CCn1cc(S(=O)(=O)NC2(C(=O)O)CC2)c([N+](=O)[O-])n1 554538266 VUMRICGMKSGNQJ-UHFFFAOYSA-N 304.284 -0.293 5 20 DBBD N[C@H]1C[C@H]2CN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CCN2C1=O 573816517 GKSZLQQTJKRTSN-UWVGGRQHSA-N 320.305 -0.316 5 20 DBBD O=C1[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]2CCCCN12 583435941 KTKRBOAPYJOGCH-KGYLQXTDSA-N 323.353 -0.105 5 20 DBBD C[C@@](O)(CNC(=O)c1c[nH]nc1[N+](=O)[O-])CN1CCOCC1 584303785 PNSFPGLAGFRHJH-GFCCVEGCSA-N 313.314 -0.869 5 20 DBBD CN1CCN(C(=O)CN(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 604060375 ZYCYPFOJJHYAFJ-UHFFFAOYSA-N 324.341 -0.976 5 20 DBBD O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN([C@H]2CCC[C@@H]2O)CC1 619787535 YLRPDPYXDCMFAM-QWRGUYRKSA-N 309.326 -0.011 5 20 DBBD CN(C(=O)[C@@H]1[C@H]2COC[C@H]21)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 955042570 OVSFUIWKKOAOFU-ZIQFBCGOSA-N 309.322 -0.787 5 20 DBBD O=C(CNC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCC1 996428410 BVJSDGCWSMRTKL-VXGBXAGGSA-N 310.354 -0.536 5 20 DBBD CC(C)n1nnnc1CN1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1031661884 LVUABIGNRAIMEW-GHMZBOCLSA-N 323.357 -0.533 5 20 DBBD Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2[C@H](NC(=O)C(N)=O)[C@H]2C1 1060470045 XCBJQXKAMZQFSC-MYJAWHEDSA-N 305.294 -0.666 5 20 DBBD Nc1nc(NCCNC(=O)c2ncccn2)ncc1[N+](=O)[O-] 1093796955 GHMIYSXLLZDATB-UHFFFAOYSA-N 304.270 -0.401 5 20 DBBD Cn1cc([C@H](CO)NC(=O)CCn2cc([N+](=O)[O-])cn2)cn1 1319899559 CULFHFFMUBHPFC-NSHDSACASA-N 308.298 -0.235 5 20 DBBD C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H](CO)O1 1590318304 RYOCCJMYXAXTSO-APPZFPTMSA-N 321.297 -0.244 5 20 DBBD Cn1nccc1[C@H](NC(=O)c1c([N+](=O)[O-])cnn1C)C(=O)O 1605564315 YYLKDWDUIFJYBA-QMMMGPOBSA-N 308.254 -0.383 5 20 DBBD O=C(O)[C@@H]1[C@H](O)CCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 1608594958 KKNQCJDKRFFQAQ-AXFHLTTASA-N 314.298 -0.938 5 20 DBBD COc1cc(C(=O)N2CCN(CC(N)=O)CC2)ccc1[N+](=O)[O-] 264302790 ZIVXOPITFIOTJR-UHFFFAOYSA-N 322.321 -0.154 5 20 DBBD CC(C)(CO)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 339347469 HQQWDMBEBNOBAS-UHFFFAOYSA-N 317.323 -0.257 5 20 DBBD COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cn1cc([N+](=O)[O-])nc1C 349722150 JSHBYYWDFYEUAO-BDAKNGLRSA-N 312.282 -0.765 5 20 DBBD Cn1nnc(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)n1 362941990 RFWPOHGCBNIRFS-UHFFFAOYSA-N 319.281 -0.836 5 20 DBBD O=[N+]([O-])c1cccc(CS(=O)(=O)N2C[C@@H](O)[C@@H](CO)C2)c1 520611851 SUKRMYRNAKQZBS-ZYHUDNBSSA-N 316.335 -0.290 5 20 DBBD COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(CO)CO 576408261 FGRUXCMJOKQIMA-UHFFFAOYSA-N 313.310 -0.125 5 20 DBBD O=C(NCCn1ccnn1)C(=O)Nc1cccc([N+](=O)[O-])c1 611902156 SJZDAEGMYUEJIC-UHFFFAOYSA-N 304.266 -0.059 5 20 DBBD COC(=O)CNC(=O)COC(=O)c1c(N)cccc1[N+](=O)[O-] 778145091 OGSYIVCQJVIZSR-UHFFFAOYSA-N 311.250 -0.377 5 20 DBBD C[C@H](COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[N+](=O)[O-] 813112226 DOFBJOSTNPRPOA-MRVPVSSYSA-N 315.307 -0.308 5 20 DBBD O=C(CN1CCCC1=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 973868970 UCZDIORNOHCMPQ-LMLFDSFASA-N 324.337 -0.963 5 20 DBBD C[C@H]1CCS(=O)(=O)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 1116789083 XFKUGYLRTJTGKG-VIFPVBQESA-N 316.339 -0.173 5 20 DBBD CC(=O)NCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C 1154199453 NFZUDXZLOAHDBW-UHFFFAOYSA-N 312.330 -0.940 5 20 DBBD CN1CCN(CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 1317982690 OMTVXYYASUDPRW-UHFFFAOYSA-N 324.385 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O=C(Cn1ccc([N+](=O)[O-])n1)N[C@]1(C(=O)O)CCSC1 50469757 GIKJZLNROVQWPQ-SNVBAGLBSA-N 300.296 -0.132 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@]2(CCNC2)C1 158710681 FPEUCVKNMYDNOV-CQSZACIVSA-N 306.322 -0.032 5 20 DBBD O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1C[C@@H](O)[C@H](O)C1 236532313 XARMAXKVJOSIRV-HTQZYQBOSA-N 306.271 -0.540 5 20 DBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(=O)N(C)C 298071652 HVHJUFVICTWBPY-SECBINFHSA-N 322.321 -0.083 5 20 DBBD CC(C)(C(=O)Nc1ccn(CC(N)=O)n1)n1cc([N+](=O)[O-])cn1 338661979 DBUVMBUIYLRPHD-UHFFFAOYSA-N 321.297 -0.153 5 20 DBBD CCOCCOC[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])n[nH]1 355324873 XSOCYEGXVIHCLV-QMMMGPOBSA-N 302.287 -0.538 5 20 DBBD COC[C@@](C)(NC(=O)c1n[nH]c(C)c1[N+](=O)[O-])C(=O)OC 362611120 AFTGKYFEKKEIPI-LLVKDONJSA-N 300.271 -0.066 5 20 DBBD Cc1nc(O)nc(O)c1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 440382826 KIOREAFMLCFVNM-UHFFFAOYSA-N 321.249 -0.095 5 20 DBBD COC[C@@](C)(O)CNS(=O)(=O)c1cccnc1[N+](=O)[O-] 532774507 YXMMPBRAFKVWSG-JTQLQIEISA-N 305.312 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COCCOC[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1324268001 UASIEMWIVLEQOK-SNVBAGLBSA-N 313.310 -0.076 5 20 DBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@]1(C)CCS(=O)(=O)C1 194671858 JLJXRANVALXFIA-NSHDSACASA-N 316.339 -0.207 5 20 DBBD CCC[C@H]1NC(=O)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O 266479213 SOYIZBQOMIWCMV-NXEZZACHSA-N 311.298 -0.127 5 20 DBBD NS(=O)(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 267334384 PAIIZAFWEKNWOE-UHFFFAOYSA-N 313.291 -0.131 5 20 DBBD CCNC(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 298525103 WPDWGCSPCZNWGV-UHFFFAOYSA-N 310.314 -0.335 5 20 DBBD NS(=O)(=O)c1cccc(NCc2nc(O)n[nH]2)c1[N+](=O)[O-] 353274373 OYXAKVNXEHAPBT-UHFFFAOYSA-N 314.283 -0.322 5 20 DBBD Nc1c(C(=O)NCCc2nc(=O)o[nH]2)cc(F)cc1[N+](=O)[O-] 392226090 NGRXJRCMXFCXHB-UHFFFAOYSA-N 311.229 -0.035 5 20 DBBD C[C@@H](O)[C@@H](CO)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 564974782 HYCGKCTXLDXLSM-SUZMYJTESA-N 300.311 -0.334 5 20 DBBD C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])CN1CCN(C)CC1 565694351 WHOLETHMHMLABH-JTQLQIEISA-N 310.358 -0.069 5 20 DBBD O=C(CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)NCCO 584412762 YZKXSTDOIMDQPE-LLVKDONJSA-N 313.310 -0.967 5 20 DBBD COC(=O)[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])OC 589935454 PUNZHFAZKQYALC-SSDOTTSWSA-N 319.295 -0.544 5 20 DBBD CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cnc1N 779103471 IGEPFAZSLRZABA-YFKPBYRVSA-N 311.254 -0.427 5 20 DBBD O=C(NCCNS(=O)(=O)c1cccnc1)[C@@H]1C[C@H]1[N+](=O)[O-] 839709565 MURDAJDBCCUVEZ-NXEZZACHSA-N 314.323 -0.859 5 20 DBBD O=C(C1CC1)N1CCN(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 967162567 ZSIJHIKMOZTQFH-CHWSQXEVSA-N 322.365 -0.583 5 20 DBBD O=C(N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21)c1cnsn1 976209628 GBONFFOVJROGKH-NWQNCHOTSA-N 323.334 -0.610 5 20 DBBD O=C(NCC1CN(C(=O)Cc2cncnc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001796937 UTMIQZAQJPAFGE-VXGBXAGGSA-N 319.321 -0.741 5 20 DBBD O=C(NCCN(CCO)C(=O)c1ccncc1)[C@@H]1C[C@H]1[N+](=O)[O-] 1056795892 PQLVWFAKYNBTHS-VXGBXAGGSA-N 322.321 -0.703 5 20 DBBD 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314.298 -0.204 5 20 DBBD O=C(OC/C=C/COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1C[C@H]1[N+](=O)[O-] 840673229 UYAFAKWERWRRGA-ZHWMMLIQSA-N 314.250 -0.041 5 20 DBBD Cc1c[nH]nc1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954240724 WOSFTMDACVTSJX-NXEZZACHSA-N 307.310 -0.334 5 20 DBBD O=C(Cc1cncs1)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 994031193 OAPZZTIFTFXHNQ-NXEZZACHSA-N 310.335 -0.322 5 20 DBBD CCn1nncc1CN1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1042705226 NHGPKIVQEBCPLD-VXGBXAGGSA-N 308.342 -0.394 5 20 DBBD Cc1cncn1CC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1 1094008575 QOJPXVACTHDIBY-UHFFFAOYSA-N 320.313 -0.300 5 20 DBBD O=C(Cn1cnnn1)NC/C=C\CNc1ncccc1[N+](=O)[O-] 1107027255 MBAQDRLDAIZQSO-UPHRSURJSA-N 318.297 -0.239 5 20 DBBD CNC(=O)NCC(=O)NCC1(Nc2ccc([N+](=O)[O-])cn2)CC1 1110380890 KVDUVDUAZSJVTQ-UHFFFAOYSA-N 322.325 -0.021 5 20 DBBD Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)Cn1cccn1 1154599637 HHBULIZIDMMIRX-UHFFFAOYSA-N 321.341 -0.179 5 20 DBBD 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306.282 -0.293 5 20 DBBD COC(=O)[C@@H](CO)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 35154958 QYYJSQCPXLCQCV-SSDOTTSWSA-N 304.280 -0.593 5 20 DBBD O=C(Cn1cncn1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 46277406 VZAKAWCXMQBJOE-UHFFFAOYSA-N 317.309 -0.070 5 20 DBBD CS(=O)(=O)N1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 176202414 MECHBAQJDIXFGP-UHFFFAOYSA-N 317.371 -0.241 5 20 DBBD O=C(CN1C[C@@H](O)C[C@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 186486231 UCYLAEQAFMBRAQ-STQMWFEESA-N 321.333 -0.089 5 20 DBBD CCc1[nH]nc(C(=O)NCCNS(=O)(=O)CC)c1[N+](=O)[O-] 264332014 KWQFKZYWDGIYKM-UHFFFAOYSA-N 319.343 -0.451 5 20 DBBD Cc1cc(C(=O)NCC(=O)N(C)CC(N)=O)ccc1[N+](=O)[O-] 272898172 ZZQIDYGBYLWVIH-UHFFFAOYSA-N 308.294 -0.423 5 20 DBBD NC(=O)C1=NO[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 276161666 AAJPNLKVAYRHLR-VIFPVBQESA-N 306.278 -0.116 5 20 DBBD CNC(=O)CN(C)C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 292377115 MQBUFMCOVZDRTC-SECBINFHSA-N 322.321 -0.083 5 20 DBBD C[C@@H](CN1CCCC1=O)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 299525013 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311.294 -0.552 5 20 DBBD CNS(=O)(=O)N1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 288469469 QUVSUIMEKTWGMD-UHFFFAOYSA-N 315.355 -0.116 5 20 DBBD C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)S1(=O)=O 291273555 ODAUMOBCPCJFPF-KNVOCYPGSA-N 302.312 -0.035 5 20 DBBD CNS(=O)(=O)C[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 331162617 RTXJPARNPNAYRS-SNVBAGLBSA-N 317.371 -0.195 5 20 DBBD CC(=O)N[C@@H](CC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C(N)=O 344656810 RKDMINVSSMTNFP-NSHDSACASA-N 322.321 -0.067 5 20 DBBD Cc1ccc([N+](=O)[O-])c(=O)n1CC(=O)N[C@H](C)C(=O)N(C)C 349213890 LHTSYFMTFHNZMS-SECBINFHSA-N 310.310 -0.342 5 20 DBBD CN(C)C(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 549986403 APTRIVVYVCJGEN-UHFFFAOYSA-N 311.302 -0.988 5 20 DBBD O=C(O)[C@H]1CSCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 563549131 PYCOUYZFYJAKCS-VHSXEESVSA-N 316.339 -0.346 5 20 DBBD CNC(=O)[C@H]1CN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])CCO1 572898813 KNNLSQDBGNTUSD-SECBINFHSA-N 323.309 -0.382 5 20 DBBD CCO[C@@H]1C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1OC 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311.338 -0.301 5 20 DBBD CNC(=O)CC(=O)NCCN(C)c1ncc([N+](=O)[O-])cc1C 1100066663 GKUIVFNMGFDVSD-UHFFFAOYSA-N 309.326 -0.013 5 20 DBBD O=C(NCCN1CCCS1(=O)=O)c1n[nH]cc1[N+](=O)[O-] 1116415013 BVLULTKVBIYTLH-UHFFFAOYSA-N 303.300 -0.917 5 20 DBBD CN1CC[C@@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1=O 1256993304 MVMAQCTWZHEOFX-LLVKDONJSA-N 320.305 -0.442 5 20 DBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1C[C@@H]2CNC[C@@H]2C1 1593471755 YKPHJOSYWXFXCB-DTORHVGOSA-N 302.298 -0.175 5 20 DBBD CN1C(=O)C(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 6913407 QKLUFIUFKALCFJ-UHFFFAOYSA-N 306.234 -0.046 5 20 DBBD CN(CC(=O)N1CCO[C@H](C(N)=O)C1)c1ccccc1[N+](=O)[O-] 266280126 KLEBRABXTBXAKX-LBPRGKRZSA-N 322.321 -0.256 5 20 DBBD CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccc([N+](=O)[O-])o1 267772868 ZJEVNPVTANZXCJ-SNVBAGLBSA-N 313.310 -0.047 5 20 DBBD NC(=O)N[C@@H](CO)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 276150449 CVKDMVVBRKEROA-NSHDSACASA-N 324.293 -0.786 5 20 DBBD CN([C@@H]1COC[C@@H]1O)S(=O)(=O)c1ccccc1[N+](=O)[O-] 352319277 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CN(CCNC(=O)Cn1cnnc1O)c1ccc([N+](=O)[O-])cn1 1100030408 UNOMNYPNJZANQJ-UHFFFAOYSA-N 321.297 -0.461 5 20 DBBD C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[S@@]1=O 1320759452 DPEACGDLNKYVIN-XYQMPLONSA-N 316.383 -0.005 5 20 DBBD C[C@H]1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CCS1(=O)=O 1340071898 DYBXRJFHUGGLRM-ZETCQYMHSA-N 302.312 -0.033 5 20 DBBD O=C(NCc1cnn[nH]1)c1cc([N+](=O)[O-])ccc1-n1cnnn1 1578017882 ZDVFUKQDADCAAQ-UHFFFAOYSA-N 315.253 -0.381 5 20 DBBD COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CN(C)C(=O)CN1 1579242723 ZPUMJPTYHCDJNY-SNVBAGLBSA-N 308.294 -0.028 5 20 DBBD O=C(C[C@H]1NC(=O)NC1=O)NCCNc1ccccc1[N+](=O)[O-] 10085138 FGFCJUWUHMBVHA-SECBINFHSA-N 321.293 -0.279 5 20 DBBD O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC3(C2)OCCO3)c1 136152740 HLRKQEVJWDIGNG-LBPRGKRZSA-N 312.326 -0.009 5 20 DBBD O=C1CNCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 238080563 NHMGHOYNLPBOAF-UHFFFAOYSA-N 304.306 -0.084 5 20 DBBD NS(=O)(=O)CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 266240544 XBXWAZJERPJUMC-UHFFFAOYSA-N 315.355 -0.600 5 20 DBBD Nc1cccc([N+](=O)[O-])c1C(=O)NCC(=O)N1CCOCC1 272626960 JUKCQJYYDJLCSX-UHFFFAOYSA-N 308.294 -0.234 5 20 DBBD CCCc1[nH]nc(C(=O)NCCN2CCNC(=O)C2)c1[N+](=O)[O-] 272671508 KNIMQPCATWWBAL-UHFFFAOYSA-N 324.341 -0.568 5 20 DBBD O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H](O)C[C@H]1CO 274154827 JNCHACORGSTPLD-QJPTWQEYSA-N 312.322 -0.238 5 20 DBBD COC(=O)C[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])nn1C 345774573 ZISMIWHYGKLFLV-QMMMGPOBSA-N 312.282 -0.268 5 20 DBBD CN(C[C@@H](O)CO)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 354837668 CDSFWODTKGQIED-SSDOTTSWSA-N 305.312 -0.968 5 20 DBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1nc(N(C)C)no1 356404963 KLHZUKRRQZWMKQ-UHFFFAOYSA-N 309.286 -0.135 5 20 DBBD COC(=O)[C@H]1CN(C)CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 413893232 AMMOQDAXIHFVIM-QMMMGPOBSA-N 311.298 -0.505 5 20 DBBD COc1cc(S(=O)(=O)N[C@@H]2CNC(=O)C2)ccc1[N+](=O)[O-] 444216607 VGMFKTSJQJZCED-ZETCQYMHSA-N 315.307 -0.230 5 20 DBBD CN1C(=O)C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1=O 569290811 GDOACAMWXFOVEM-VIFPVBQESA-N 320.305 -0.096 5 20 DBBD CNc1nccc(C(=O)N2CC(O)(C(F)F)C2)c1[N+](=O)[O-] 572377559 IKSPPXCTTYKNLY-UHFFFAOYSA-N 302.237 0.484 5 20 DBBD O=C1C[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)NC(=O)N1 590447383 WVRRTKUHNYRJMK-QMMMGPOBSA-N 318.249 0.008 5 20 DBBD COC(=O)[C@H]1C[C@@H](O)CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 592005321 PWMPBZNTRVNYEI-IONNQARKSA-N 324.293 -0.551 5 20 DBBD Cn1ncc([N+](=O)[O-])c1NC(=O)Cn1nc2n(c1=O)CCCC2 593132897 IDBAMBYBETWHST-UHFFFAOYSA-N 321.297 -0.339 5 20 DBBD C[C@H](CC(N)=O)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 596137355 SEUICONLJBGBPR-ZCFIWIBFSA-N 302.312 -0.082 5 20 DBBD COC(=O)CCNC(=O)CCNc1ccc(N)c([N+](=O)[O-])n1 599169946 LHKJCAWCRCPVHV-UHFFFAOYSA-N 311.298 0.053 5 20 DBBD O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1C[C@H](O)[C@@H](O)C1 600216973 KGBBRPRJKKGPAP-RYUDHWBXSA-N 319.277 -0.647 5 20 DBBD NC(=O)C[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCO1 600681306 YBBXYTIFWQTRIX-QMMMGPOBSA-N 308.294 -0.107 5 20 DBBD CN1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1=O 615928725 AYFOUSMYRMPWCY-VIFPVBQESA-N 308.294 -0.507 5 20 DBBD Cn1cnn(CCC(=O)OCCn2ccc([N+](=O)[O-])n2)c1=O 815267503 RUNWPANTASLRNZ-UHFFFAOYSA-N 310.270 -0.680 5 20 DBBD NS(=O)(=O)c1cccc(N2CC(C(=O)O)C2)c1[N+](=O)[O-] 1594659980 PXLJGBXTYHFAJK-UHFFFAOYSA-N 301.280 -0.237 5 20 DBBD CS(=O)(=O)C[C@H](O)CNc1ncc(C(=O)O)cc1[N+](=O)[O-] 1777395708 KRJUNNADHCWVLQ-SSDOTTSWSA-N 319.295 -0.495 5 20 DBBD C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N1CCCCC1 53836865 YXARCQAGAQWNGU-VIFPVBQESA-N 310.314 -0.297 5 20 DBBD CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C[C@@H](C)O)CC2)n1 191898145 XCYQKUDMHKIJDG-SNVBAGLBSA-N 311.342 -0.050 5 20 DBBD CS(=O)(=O)CCCNC(=O)c1cc([N+](=O)[O-])cnc1O 298985155 MTJALBGGQIYBHQ-UHFFFAOYSA-N 303.296 -0.140 5 20 DBBD NC(=O)[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 354074428 GHZZZNFRWXTTHA-SSDOTTSWSA-N 314.323 -0.446 5 20 DBBD NC(=O)[C@]1(NC(=O)COc2cccc([N+](=O)[O-])c2)CCOC1 565210648 ZLHKESGLENTJFP-ZDUSSCGKSA-N 309.278 -0.266 5 20 DBBD O=[N+]([O-])c1cnn(C[C@H](O)CNCc2nc(C3CC3)n[nH]2)c1 566121726 NULSBGFYUUZERF-SNVBAGLBSA-N 307.314 -0.063 5 20 DBBD CCC[C@H](O)[C@@H](CO)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] 571940009 SOBRJAPAPQEVQY-ZJUUUORDSA-N 312.326 0.283 5 20 DBBD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(Cc2nc[nH]n2)CC1 593858357 DSAYHJSIDJQOAK-UHFFFAOYSA-N 306.286 -0.606 5 20 DBBD CNS(=O)(=O)[C@@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1 609595722 XDDDFCUKHWWTAD-MRVPVSSYSA-N 303.344 -0.154 5 20 DBBD CN(C)C(=O)CN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 610484836 LWICZWPHWCRDMX-UHFFFAOYSA-N 310.358 -0.503 5 20 DBBD CCn1cc(S(=O)(=O)N[C@H](CO)C2CC2)c([N+](=O)[O-])n1 754803917 DCERYOZJWNNERK-MRVPVSSYSA-N 304.328 -0.140 5 20 DBBD Cn1nnc(COC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)n1 799454310 NBRNACVHMGKYPT-UHFFFAOYSA-N 320.265 -0.409 5 20 DBBD CCOC(=O)C[C@H](OC(=O)Cn1cnc([N+](=O)[O-])n1)C(C)=O 805417282 ODGOFUOPQQOVIA-QMMMGPOBSA-N 314.254 -0.360 5 20 DBBD NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1=O 840335823 AUXWKTXRUDKJMA-UHFFFAOYSA-N 323.265 -0.363 5 20 DBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCn1cnnn1 845954717 YUJANXTWNGNENQ-UHFFFAOYSA-N 312.311 -0.132 5 20 DBBD O=C(C1=CCOCC1)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1011036661 SOESNRZWOKZJON-VXGBXAGGSA-N 309.322 -0.331 5 20 DBBD O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)c1cn[nH]c1 1062619596 VQEJVCSVTOOHIU-NXEZZACHSA-N 307.310 -0.156 5 20 DBBD Cc1nc(NCCNC(=O)CCNC(N)=O)ccc1[N+](=O)[O-] 1093623808 ULBSIFAPBWADEO-UHFFFAOYSA-N 310.314 -0.115 5 20 DBBD COCCN1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1 1094290729 HPMUOMMBUWRJQW-VXGBXAGGSA-N 324.341 -0.937 5 20 DBBD CCN1CC[C@H](OC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1=O 1118387976 WRFGIMGVJAXOPE-JTQLQIEISA-N 309.278 -0.080 5 20 DBBD C[C@@H](CCS(C)(=O)=O)NC(=O)c1c([N+](=O)[O-])cnn1C 1323233858 MYDYCROOSDITBU-ZETCQYMHSA-N 304.328 -0.119 5 20 DBBD COC(=O)C[C@@H](O)CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] 1591261222 VGMHXUIORMATAL-ZCFIWIBFSA-N 323.269 -0.494 5 20 DBBD CN1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 107380223 YYZXZXTYJMBZPR-UHFFFAOYSA-N 308.342 -0.027 5 20 DBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NCCNC(=O)c1ccn[nH]1 180959181 XQDLGNBOUDUZGO-UHFFFAOYSA-N 321.297 -0.631 5 20 DBBD NS(=O)(=O)N1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 264682174 OSNPITOZYWAAIX-UHFFFAOYSA-N 320.352 -0.382 5 20 DBBD CNS(=O)(=O)c1ccc(N2CCOCCN2)c([N+](=O)[O-])c1 288853413 DJAVZIKUXZEEEL-UHFFFAOYSA-N 316.339 -0.156 5 20 DBBD CC(C)(CNC(=O)c1ccnc(N)c1[N+](=O)[O-])S(C)(=O)=O 594306746 SDKUNYZYUWUQBV-UHFFFAOYSA-N 316.339 0.125 5 20 DBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 594371813 NCQWOYKZFHZGFX-SFYZADRCSA-N 324.293 -0.432 5 20 DBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CC(O)C1 610814401 SMZJZUKOFXTOTD-UHFFFAOYSA-N 307.262 -0.477 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC(=O)N1CCCC1=O 748920320 IJHROOSOMIZRGS-UHFFFAOYSA-N 323.261 -0.551 5 20 DBBD CS(=O)(=O)CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] 818963137 HXSKQFSUOOEWJZ-SNVBAGLBSA-N 318.351 -0.031 5 20 DBBD CCN(C(=O)c1ncc[nH]1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 967946390 VOBCARUTJGEONK-NXEZZACHSA-N 307.310 -0.252 5 20 DBBD Cc1nc(O)[nH]c1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 974110903 HYPNJRFRNVWTHJ-BZNPZCIMSA-N 323.309 -0.534 5 20 DBBD Cc1cc(NCCN(C)C(=O)CNC(N)=O)ncc1[N+](=O)[O-] 1101484184 CWMXHVKPSMSKJH-UHFFFAOYSA-N 310.314 -0.163 5 20 DBBD NC(=O)NCC(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 1112608962 UHLQPIHAYJBKFW-UHFFFAOYSA-N 321.337 -0.093 5 20 DBBD COC(=O)C[C@@H](O)CNC(=O)c1c([N+](=O)[O-])c(C)nn1C 1261833294 SFTMVSRWUQGITN-SSDOTTSWSA-N 300.271 -0.709 5 20 DBBD CN(CCNS(C)(=O)=O)C(=O)c1cc([N+](=O)[O-])ccc1O 1320178818 LWYYTHUJPSNQDY-UHFFFAOYSA-N 317.323 -0.078 5 20 DBBD NC(=O)c1cc(N2CCN3C(=O)NC(=O)[C@H]3C2)ccc1[N+](=O)[O-] 1330651156 BTNMYCFPQLYJFN-SNVBAGLBSA-N 319.277 -0.566 5 20 DBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCN1CCN(C)CC1 68467467 QTSNUELSVJGLEJ-UHFFFAOYSA-N 324.385 -0.147 5 20 DBBD NC(=O)c1ccc(CN2CCN3C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 175883261 IIDBRLJNQOCOGK-NSHDSACASA-N 319.321 -0.097 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]2CNC[C@H]2C1 290184065 PVSGAJCSXFOUDT-MNOVXSKESA-N 306.322 -0.176 5 20 DBBD COC(=O)[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 298787222 CEHROCIWRLLFST-SECBINFHSA-N 313.222 -0.233 5 20 DBBD Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 316562037 STFNRXBADRPPIJ-KOLCDFICSA-N 316.335 -0.123 5 20 DBBD COC[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)OC 351782526 DAGCGBJRDUQOTD-VIFPVBQESA-N 313.266 -0.939 5 20 DBBD CN([C@@H]1COC[C@@H]1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 352329061 JUQALWODCNGYAY-MNOVXSKESA-N 302.308 -0.025 5 20 DBBD CCn1cc(S(=O)(=O)N[C@H]2CCCNC2)c([N+](=O)[O-])n1 353239166 AGBMQDIPSZXMOQ-QMMMGPOBSA-N 303.344 -0.159 5 20 DBBD Cn1nc([N+](=O)[O-])cc1C(=O)NCCNC(=O)c1cnccn1 358038180 NFKXCJRBNGDKDV-UHFFFAOYSA-N 319.281 -0.722 5 20 DBBD COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ccc([N+](=O)[O-])cn1 548728790 AESYJBYJTUHSPH-VIFPVBQESA-N 308.250 -0.897 5 20 DBBD CNCCCNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 579572800 IAKWNXQRKFTPTO-UHFFFAOYSA-N 324.337 -0.185 5 20 DBBD COC[C@H](Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])C(N)=O 804579077 SLQXBLBDFDHVLB-QMMMGPOBSA-N 312.282 -0.003 5 20 DBBD Cc1cc(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 973107431 OXYUHZNHGZWOCR-CNVPUSNMSA-N 322.321 -0.046 5 20 DBBD O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ncccn1 978794027 DPSBMULMDXHMNK-LMLFDSFASA-N 319.321 -0.234 5 20 DBBD CCn1cnc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 1001806845 NBPWOZFDGAYHPB-ZYHUDNBSSA-N 321.337 -0.244 5 20 DBBD CCCn1ncnc1CN1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1030292383 FKUAGTRGSYPXQP-GHMZBOCLSA-N 308.342 -0.346 5 20 DBBD NC(=O)C(=O)NCCOCCCNc1ccc([N+](=O)[O-])cn1 1115447653 VRNDKPKFOSQXEO-UHFFFAOYSA-N 311.298 -0.590 5 20 DBBD Cn1nncc1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 1324586625 KTDKAOWIFHVJOR-UHFFFAOYSA-N 304.266 -0.022 5 20 DBBD C[C@](O)(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O 90276789 ADNPJUIBNCGJRG-JTQLQIEISA-N 304.280 -0.291 5 20 DBBD Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]2[C@@H](C1)OCCN2C 152942856 AKQQIQUVDPJXGL-WDEREUQCSA-N 309.326 -0.359 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H](C(=O)O)[C@@H]1CCCOC1 262705621 BMRGBBHSUHDCBR-LDYMZIIASA-N 312.282 -0.213 5 20 DBBD NC(=O)NC[C@H]1CCCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 263720778 NVKURYCNFISBJJ-SECBINFHSA-N 310.314 -0.159 5 20 DBBD Cn1ccnc1N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 266504734 WGSRWMNWALJTMR-UHFFFAOYSA-N 319.325 -0.126 5 20 DBBD Cc1ccc(C)c(S(=O)(=O)NC[C@H](O)C(=O)O)c1[N+](=O)[O-] 277233055 JKQJEVVBVIKICW-QMMMGPOBSA-N 318.307 -0.065 5 20 DBBD C[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)S1(=O)=O 291273554 ODAUMOBCPCJFPF-BQBZGAKWSA-N 302.312 -0.035 5 20 DBBD NC(=O)COCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 533562991 UQTVTYFQYBDLRJ-UHFFFAOYSA-N 311.250 -0.445 5 20 DBBD CNc1nccc(C(=O)NCCN2CCCOCC2)c1[N+](=O)[O-] 566448299 CTPPKDFPWLJTIT-UHFFFAOYSA-N 323.353 0.484 5 20 DBBD O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cccnn1 973255243 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Cc1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1[N+](=O)[O-] 298906766 FCLDQKXLNNKZKW-UHFFFAOYSA-N 306.278 -0.200 5 20 DBBD CS(=O)(=O)CCCNc1ncc([N+](=O)[O-])cc1C(N)=O 299039305 MZCGRKSCPQVXDA-UHFFFAOYSA-N 302.312 -0.065 5 20 DBBD O=C(Cn1cccc([N+](=O)[O-])c1=O)NCC(=O)N1CCCC1 338633816 RMGYZJXLAJRJTD-UHFFFAOYSA-N 308.294 -0.505 5 20 DBBD O=C(NCCNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1cccnc1 349871761 GOKLOMSPZAWCLA-UHFFFAOYSA-N 304.266 -0.127 5 20 DBBD CCNS(=O)(=O)[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 367521552 XGZMTJMPPIFLMC-ZETCQYMHSA-N 317.327 -0.528 5 20 DBBD COC(=O)[C@@H]1CNC(=O)CN1CCOc1ccc([N+](=O)[O-])cc1 447919800 VYUBCIWGWBBLAH-LBPRGKRZSA-N 323.305 -0.053 5 20 DBBD CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] 548742209 RCTSKFVNQMBUFX-SSDOTTSWSA-N 316.339 0.125 5 20 DBBD C[C@H]1OCC[C@]1(O)CNS(=O)(=O)c1cccnc1[N+](=O)[O-] 578829398 HPUAXRVWXOOLHI-KCJUWKMLSA-N 317.323 -0.192 5 20 DBBD O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1(O)CNC1 595941716 BFPJYXWJEHTBQS-UHFFFAOYSA-N 306.322 -0.422 5 20 DBBD O=[N+]([O-])c1c(NCCn2ncnn2)ncnc1N1CCOCC1 598602388 AAZXFDCMPFGHQX-UHFFFAOYSA-N 321.301 -0.680 5 20 DBBD COC(=O)CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cn1 600498353 JOLDPVPVLJKZNY-UHFFFAOYSA-N 324.293 -0.211 5 20 DBBD NC(=O)CN1CCC(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 754929014 ZUBKAMYGICQHMJ-UHFFFAOYSA-N 322.321 -0.020 5 20 DBBD Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CN(C)NC2=O)cc1[N+](=O)[O-] 843846089 GJSMHPWIFFDQMJ-MRVPVSSYSA-N 323.265 -0.114 5 20 DBBD O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C1CCOCC1 972882925 HNNVNNJHDSDNQT-DDHJBXDOSA-N 311.338 -0.158 5 20 DBBD CN(CCNC(=O)C1=CCOCC1)c1ncc([N+](=O)[O-])c(N)n1 1100073153 XZMJWGYDNLDBBT-UHFFFAOYSA-N 322.325 -0.134 5 20 DBBD COCCCNC(=O)CN(C)C(=O)c1c([N+](=O)[O-])cnn1C 1319653129 ZEMSHRYOCUJDFW-UHFFFAOYSA-N 313.314 -0.447 5 20 DBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 1321333197 ZDFBXUSVJHCCBK-SFYZADRCSA-N 309.282 -0.101 5 20 DBBD CN(Cc1nncn1C)S(=O)(=O)c1cccnc1[N+](=O)[O-] 1324436932 RBDZYGAWPVVABD-UHFFFAOYSA-N 312.311 -0.061 5 20 DBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CCOC2=O)C1 1328647504 KSORVMITZLQQLM-MRVPVSSYSA-N 309.282 -0.005 5 20 DBBD O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1NCCN1CC[C@H](O)C1 1593471874 VQZIVNKISKNUJO-VIFPVBQESA-N 320.313 -0.352 5 20 DBBD Cc1cc(=O)n(CC(=O)N[C@H](C)C(=O)N(C)C)cc1[N+](=O)[O-] 128479439 GHFFZYMEOURKDJ-SECBINFHSA-N 310.310 -0.342 5 20 DBBD CN1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1=O 265837873 MUYMCOLGBGAQJT-UHFFFAOYSA-N 314.323 -0.479 5 20 DBBD COc1cc(C(=O)NCCNS(C)(=O)=O)ccc1[N+](=O)[O-] 299570422 HSRCMHGBJBVVQF-UHFFFAOYSA-N 317.323 -0.118 5 20 DBBD CCOC(=O)[C@H](CO)NC(=O)Cn1cc([N+](=O)[O-])nc1C 355797692 QLLJPNKWKWZHNI-QMMMGPOBSA-N 300.271 -0.860 5 20 DBBD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c1 434777580 PQJIANFBMUPUFT-QWRGUYRKSA-N 316.335 -0.062 5 20 DBBD CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 533542407 AIORJGIAYVNTFD-QMMMGPOBSA-N 316.339 -0.303 5 20 DBBD Nc1nccc(C(=O)N[C@@H]2CCc3nnnn3CC2)c1[N+](=O)[O-] 565844210 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O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccon1 979520273 NNRBWGMBZVBTQU-TURQNECASA-N 308.294 -0.036 5 20 DBBD Cc1n[nH]c(C)c1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1011114650 KYVGKICMIALAMH-GHMZBOCLSA-N 321.337 -0.024 5 20 DBBD Cn1cc(C(=O)NC2CN(Cc3c([N+](=O)[O-])ncn3C)C2)cn1 1030090005 PDPHYYCEUJSIAW-UHFFFAOYSA-N 319.325 -0.324 5 20 DBBD Cc1cc(N(C)CCOCCNC(=O)C(N)=O)ccc1[N+](=O)[O-] 1115250743 ZGRGGVFSUWNLBT-UHFFFAOYSA-N 324.337 -0.042 5 20 DBBD CC(C)N(C)C(=O)CN1CC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1754574685 AQCOZHHAOHLRKK-VXGBXAGGSA-N 312.370 -0.339 5 20 DBBD COC(=O)[C@@H](O)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] 230849103 SPOSPEWUVQWMJV-JTQLQIEISA-N 318.307 -0.452 5 20 DBBD O=C1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]2N1 246756668 VTUPVQLLAUAYRH-XQQFMLRXSA-N 323.353 -0.105 5 20 DBBD COCCN1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 264489022 JCLPBGPMGOJYTI-LLVKDONJSA-N 324.337 -0.407 5 20 DBBD CCc1[nH]nc(C(=O)N(CC)[C@H]2CC(=O)NC2=O)c1[N+](=O)[O-] 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733720784 OPHRLJOQMKEFAF-QMMMGPOBSA-N 304.284 -0.974 5 20 DBBD COCCOCC(=O)OCCn1cc([N+](=O)[O-])ccc1=O 761384016 KCRWUDAGBVGENY-UHFFFAOYSA-N 300.267 -0.037 5 20 DBBD NC(=O)NCCNC(=O)c1cc([N+](=O)[O-])c2nsnc2c1 778283093 CPBLILYWECQOAT-UHFFFAOYSA-N 310.295 -0.002 5 20 DBBD CCc1[nH]nc(C(=O)OCCNS(C)(=O)=O)c1[N+](=O)[O-] 795612193 NQBGWEFZVMMRGY-UHFFFAOYSA-N 306.300 -0.414 5 20 DBBD Cn1nncc1C(=O)NS(=O)(=O)c1cc([N+](=O)[O-])cs1 798829124 AFMLSFYDDXJONN-UHFFFAOYSA-N 317.308 -0.097 5 20 DBBD O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCN(CCO)CC1 824783416 LHIDMROVWMHHSG-ZDUSSCGKSA-N 309.322 -0.235 5 20 DBBD Cn1cc(-c2noc(-c3cc([N+](=O)[O-])n[nH]3)n2)c(O)nc1=O 904839270 OFDQSCDWUKXJCY-UHFFFAOYSA-N 305.210 -0.166 5 20 DBBD CCn1nccc1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 954136825 SUIIRBOFEOEAOL-ZYHUDNBSSA-N 321.337 -0.149 5 20 DBBD Cc1nocc1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21 977088832 BUHCIACKEOJBRI-VZSYODPGSA-N 320.305 -0.165 5 20 DBBD COCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057543734 VOMFRDJHDXSMPY-GHMZBOCLSA-N 317.342 -0.985 5 20 DBBD Nc1nc(NCCCNC(=O)c2cnon2)ncc1[N+](=O)[O-] 1094535376 WMTFQBWMBZRSEN-UHFFFAOYSA-N 308.258 -0.418 5 20 DBBD Cc1noc(CN2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)n1 76268042 LNFXJJDCXUAGDT-UHFFFAOYSA-N 320.313 -0.019 5 20 DBBD O=C(CO)N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 152779390 VJKDTRLMSHHHSY-CYBMUJFWSA-N 309.322 -0.235 5 20 DBBD COC[C@](C)(NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)O 262032965 BGNASLUYPNVDFV-LBPRGKRZSA-N 313.266 -0.638 5 20 DBBD COC[C@H](N)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 262327036 RCWWMTLWPLRPFK-KOLCDFICSA-N 309.326 -0.024 5 20 DBBD CS(=O)(=O)NCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 272510818 GBBLHRBLYUFMOX-UHFFFAOYSA-N 303.296 -0.421 5 20 DBBD Cc1cc(S(=O)(=O)N[C@@H](CO)C(=O)O)ccc1[N+](=O)[O-] 274937968 QJGXPURNGAMMOW-QMMMGPOBSA-N 304.280 -0.373 5 20 DBBD CO[C@H]1COC[C@@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 290299644 BTLASUQEBBDBRW-RYUDHWBXSA-N 323.305 -0.145 5 20 DBBD O=C(CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)NCCO 448259196 CGWGRQUFOLDYNE-UHFFFAOYSA-N 306.278 -0.086 5 20 DBBD CNc1nccc(C(=O)N2CCN3C(=O)NC[C@H]3C2)c1[N+](=O)[O-] 519787768 ZUMHUXBAPGMSLK-QMMMGPOBSA-N 320.309 -0.119 5 20 DBBD O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(c2ncc[nH]2)CC1 594345230 XPGCECTUYUTWBH-UHFFFAOYSA-N 306.286 -0.742 5 20 DBBD N[C@@H]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3O)CCN2C1=O 594878370 HAJVNBWQVNRPOE-PSASIEDQSA-N 321.293 -0.921 5 20 DBBD CCNS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])cn1C 731646793 HZIQYCYOLHYNKW-UHFFFAOYSA-N 304.328 -0.398 5 20 DBBD Cn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 979703070 CNXOMSRYSJVCOH-TURQNECASA-N 322.325 -0.895 5 20 DBBD CCc1cnc(CC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1 991289343 YJYYFCYDOYEZFE-GHMZBOCLSA-N 321.337 -0.493 5 20 DBBD COc1coc(CN2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1=O 1030294048 VPOYRRDXLJZVQJ-GHMZBOCLSA-N 323.305 -0.386 5 20 DBBD O=C(Cn1cncn1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1055809505 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317.327 -0.528 5 20 DBBD O=C(NCC(=O)N1C[C@@H](O)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 373489930 NVMOHDSSSYLCGA-NEPJUHHUSA-N 323.305 -0.721 5 20 DBBD NC(=O)[C@@]1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCOC1 568663466 CKVIFYRNMAEEQH-LLVKDONJSA-N 315.307 -0.483 5 20 DBBD C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC(O)(CO)C1 597705183 JSGLPGOKDLYQED-SECBINFHSA-N 323.305 -0.721 5 20 DBBD NS(=O)(=O)c1cccc(N2C[C@H]3CNC[C@@H]3C2)c1[N+](=O)[O-] 612654751 JVIWYMNXGJPDKO-RKDXNWHRSA-N 312.351 -0.102 5 20 DBBD CCS(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])cnc1O 727861159 YOWROMKRSXVAMK-UHFFFAOYSA-N 303.296 -0.140 5 20 DBBD CCCN(C)S(=O)(=O)NC(=O)CCn1cc([N+](=O)[O-])cn1 770615318 VSUXMEMQSRKIRV-UHFFFAOYSA-N 319.343 -0.116 5 20 DBBD NS(=O)(=O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 772223927 VNAVFTYWMLAQNK-NEPJUHHUSA-N 315.351 -0.009 5 20 DBBD O=C(O)[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1 819310614 PKULIZZYKSUXKD-SECBINFHSA-N 313.270 -0.714 5 20 DBBD CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cnnn2C)C1 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CCN1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O 190206459 UYYDTFGPIZAFHD-LBPRGKRZSA-N 311.342 -0.294 5 20 DBBD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCCO 355022523 TYVPKBGPQVVHBA-UHFFFAOYSA-N 309.278 -0.181 5 20 DBBD CO[C@H]1COC[C@@H]1n1cc(CNc2ncc([N+](=O)[O-])cn2)nn1 357622311 NGHNUAHKYRROAD-QWRGUYRKSA-N 321.297 0.175 5 20 DBBD COC(=O)[C@@](C)(O)CNC(=O)CCn1cc([N+](=O)[O-])nc1C 358894786 DTYSRFSBVARQSQ-LBPRGKRZSA-N 314.298 -0.470 5 20 DBBD CN1C(=O)CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1=O 425095128 VQBPVUNTXGMKDS-SECBINFHSA-N 309.282 -0.555 5 20 DBBD CN(C)[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1O 590585399 AFVNQZJVWRGJHL-QWRGUYRKSA-N 315.351 -0.110 5 20 DBBD O=[N+]([O-])c1cnn(C[C@@H](O)CNCCOC[C@H]2CCOC2)c1 591734940 MLXTXGZJKSWPPO-AAEUAGOBSA-N 314.342 -0.205 5 20 DBBD COC(=O)c1cc(C)nc(NCCN2CC[C@H](O)C2)c1[N+](=O)[O-] 599199181 GSTNOVOTGGKCDL-JTQLQIEISA-N 324.337 0.563 5 20 DBBD COC[C@H](C)S(=O)(=O)NC(=O)Cn1ccc([N+](=O)[O-])n1 733717338 LORZAUSIQSQQCS-ZETCQYMHSA-N 306.300 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312.282 -0.120 5 20 DBBD Cc1cc(OCC(=O)N[C@@H]2CN(C)NC2=O)ccc1[N+](=O)[O-] 435802613 XTXXHSVSQYAYPK-SNVBAGLBSA-N 308.294 -0.257 5 20 DBBD COC(=O)c1cnc(N2CC(S(N)(=O)=O)C2)c([N+](=O)[O-])c1 598629308 IBHWLBIQVPCHAL-UHFFFAOYSA-N 316.295 -0.747 5 20 DBBD COC(=O)C[C@@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 599463447 WOUFGEUYSIUOBQ-MRVPVSSYSA-N 319.295 -0.808 5 20 DBBD Cc1nn(CN2CCO[C@@H](C(N)=O)C2)c2ncc([N+](=O)[O-])cc12 749946304 AWYXQASTMWHARY-LLVKDONJSA-N 320.309 -0.208 5 20 DBBD Cn1cc(C(N)=O)cc1C(=O)OCCn1cnc([N+](=O)[O-])n1 756302429 ZOELBZGNBSNSSH-UHFFFAOYSA-N 308.254 -0.519 5 20 DBBD O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H](O)Cn2ccnn2)cc1 843117610 QUQBVZPQPPBEHV-CHWSQXEVSA-N 307.310 -0.130 5 20 DBBD NC(=O)[C@]1(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CCOC1 848503645 LBUNSYMHUGMDPI-VIFPVBQESA-N 321.336 -0.421 5 20 DBBD Cc1noc(COC(=O)CN2CCCS2(=O)=O)c1[N+](=O)[O-] 853892668 TUQJWKXRKWEUPH-UHFFFAOYSA-N 319.295 -0.030 5 20 DBBD CCOC(=O)C1=C(Cn2cnc([N+](=O)[O-])n2)NC(=O)N[C@H]1C 917254613 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304.266 0.111 5 20 DBBD CCOC(=O)[C@@](C)(O)CNC(=O)Cn1cc([N+](=O)[O-])cn1 345460741 KWSUTNWQAGQODP-NSHDSACASA-N 300.271 -0.778 5 20 DBBD C[C@H](CN)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 347694927 UXOGJMQSIUSJIP-SECBINFHSA-N 309.326 -0.143 5 20 DBBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CNC(=O)C1 362649457 NTHWZUGYRHGOGV-LURJTMIESA-N 300.296 -0.457 5 20 DBBD CCOC(=O)Cn1cnc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)n1 425100775 JPFOIPXGBALNMU-UHFFFAOYSA-N 308.254 0.330 5 20 DBBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H]2[C@@H](CO)[C@@H]2C1 589871403 SJQFKLDOTPJPCK-MYJAWHEDSA-N 313.335 -0.083 5 20 DBBD COCc1n[nH]c(CNC(=O)c2cnc(O)c([N+](=O)[O-])c2)n1 598051161 QVCOVGYJSODMFQ-UHFFFAOYSA-N 308.254 -0.110 5 20 DBBD Cn1cc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)[C@@H]1CCOC1 733722315 WCCWKIJIEPCZDO-MRVPVSSYSA-N 303.296 -0.218 5 20 DBBD CNC(=O)[C@@H](O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O 844137982 SAQUAHSEIWUPKB-QMMMGPOBSA-N 317.685 -0.210 5 20 DBBD CCOC(=O)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cnc1N 854539607 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O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NN1CCCNC1=O 272579200 MEIMFVDQJGIRRA-UHFFFAOYSA-N 321.293 -0.229 5 20 DBBD Cc1nn(CCC(=O)N2CCO[C@@H](CN)C2)c(C)c1[N+](=O)[O-] 274848887 YBLFWBOGCCDFBU-NSHDSACASA-N 311.342 -0.016 5 20 DBBD COC(=O)[C@H]1CNC(=O)CN1C(=O)c1ccc([N+](=O)[O-])cc1 344870458 BYLOJRLASVDBPL-SNVBAGLBSA-N 307.262 -0.292 5 20 DBBD C[C@@H](O)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 351936613 MGMLDQAKVJPONT-MRVPVSSYSA-N 323.309 -0.763 5 20 DBBD C[C@H](CC(N)=O)NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 362364766 VGFPMLBVPSIMEP-SSDOTTSWSA-N 322.277 -0.117 5 20 DBBD CC(C)c1[nH]nc(C(=O)NCCS(N)(=O)=O)c1[N+](=O)[O-] 433843006 KWAZIJNECDVJHZ-UHFFFAOYSA-N 305.316 -0.540 5 20 DBBD CS(=O)(=O)NCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] 593035878 XQHBRGDOAZTPEM-UHFFFAOYSA-N 319.314 -0.058 5 20 DBBD CNc1nccc(C(=O)N[C@@H](C)C(=O)NCCF)c1[N+](=O)[O-] 594355950 UAJOPYOMGPXGJC-ZETCQYMHSA-N 313.289 0.236 5 20 DBBD O=C1CCC[C@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])N1 594770005 NCIDBSCXEGETCM-MRVPVSSYSA-N 314.323 -0.063 5 20 DBBD CC(C)NC(=O)CNS(=O)(=O)c1cccnc1[N+](=O)[O-] 610259638 BWFAQFMBOVOBLT-UHFFFAOYSA-N 302.312 -0.207 5 20 DBBD O=C(OC[C@@H]1CN(c2ncccn2)CCO1)[C@@H]1C[C@H]1[N+](=O)[O-] 842350937 VOBXGUDYSWXIQT-HBNTYKKESA-N 308.294 -0.110 5 20 DBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1[C@H]2CC[C@H]1CN(Cc1nc(O)n[nH]1)C2 1017544673 ZCFXJXPYPFFEGX-AXTSPUMRSA-N 322.325 -0.649 5 20 DBBD O=C(NCc1cn(C2CN(CCF)C2)nn1)[C@@H]1C[C@H]1[N+](=O)[O-] 1094291747 UGLMSOCJWBHCTP-GHMZBOCLSA-N 312.305 -0.614 5 20 DBBD Cn1ccc(C(=O)NCCCNc2ncc([N+](=O)[O-])c(N)n2)n1 1094435830 SKDULBYZONRHMX-UHFFFAOYSA-N 320.313 -0.068 5 20 DBBD CN(C)C[C@@](C)(O)CNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1591012702 WBPDPDISQCAQOY-LBPRGKRZSA-N 322.329 -0.106 5 20 DBBD NC(=O)[C@H]1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 1592720335 KQLQAFFIRJZTRS-LURJTMIESA-N 304.270 -0.519 5 20 DBBD COC(=O)[C@H]1CC[C@@H](C(=O)O)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1598767256 MWPVSQRLBDJMDE-FNCVBFRFSA-N 300.267 -0.484 5 20 DBBD COCC1(O)CN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 1609319064 BKGGILFBLGGKMX-UHFFFAOYSA-N 306.282 -0.028 5 20 DBBD C[C@@H](CCS(C)(=O)=O)NC(=O)Cn1cc([N+](=O)[O-])cn1 178341031 MJPCTILEQKZUOR-QMMMGPOBSA-N 304.328 -0.269 5 20 DBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CN2CCN1CC2 178720991 DBSPKZPYSIEZDI-LBPRGKRZSA-N 322.369 -0.394 5 20 DBBD O=C1NC(=O)N2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C[C@H]12 356617988 XZNUSGOUZZKKHG-SNVBAGLBSA-N 320.261 -0.323 5 20 DBBD CCn1cc(S(=O)(=O)Nc2nc(OC)n[nH]2)c([N+](=O)[O-])n1 360926894 VJFOYAKFULKFLF-UHFFFAOYSA-N 317.287 -0.261 5 20 DBBD Cc1c(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2CO)cccc1[N+](=O)[O-] 372652389 IYIAQGOFCXHORU-NXEZZACHSA-N 323.305 -0.204 5 20 DBBD C[C@H]1CN[C@H](C)CN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 419470576 YJDFCHCJAKXLFC-ZJUUUORDSA-N 324.341 -0.884 5 20 DBBD COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 592913008 DSIAYWDHDQHKIR-SFYZADRCSA-N 312.282 -0.378 5 20 DBBD CO[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CC(=O)O 600652819 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CN1CC[C@](O)(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 1604856201 VWTXNASWBDIRCP-LBPRGKRZSA-N 320.313 -0.352 5 20 DBBD O=C(O)COc1ccc(CNC[C@@H](O)CO)cc1[N+](=O)[O-] 1610786860 QQAAHGINWRKOCH-SECBINFHSA-N 300.267 -0.499 5 20 DBBD Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(=O)NCC(F)(F)F 65735126 YRVAIDFJIQKYOI-UHFFFAOYSA-N 323.231 -0.106 5 20 DBBD COCC1(O)CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 295783894 QYOLXZQEWDDIOT-UHFFFAOYSA-N 302.308 -0.023 5 20 DBBD O=C(N[C@@H]1COC[C@H]1O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 296907619 KVBNHBPFYVSLKD-VXGBXAGGSA-N 319.277 -0.335 5 20 DBBD Cn1cnc([N+](=O)[O-])c1Cn1cnc2c1c(=O)n(C)c(=O)n2C 331552932 IPRBJBYWFRKMQY-UHFFFAOYSA-N 319.281 -0.876 5 20 DBBD CNC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 346863318 TVDCLBURHBJTFS-RKDXNWHRSA-N 322.321 -0.036 5 20 DBBD COC[C@@H](NC(=O)CCn1cc([N+](=O)[O-])nc1C)C(=O)OC 351792595 LZGHGFKIRLBQPF-SECBINFHSA-N 314.298 -0.206 5 20 DBBD CNC(=O)[C@@H](CCSC)NC(=O)Cn1cc([N+](=O)[O-])cn1 360797450 OLFLNQCOXCPEBX-SECBINFHSA-N 315.355 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O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 1610802725 YJJHYJZQBKKKIW-APPZFPTMSA-N 324.245 -0.017 5 20 DBBD NS(=O)(=O)c1cc(NCCOCC(=O)O)cc([N+](=O)[O-])c1 1777567891 GSDKRAVKNASPMS-UHFFFAOYSA-N 319.295 -0.245 5 20 DBBD NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)Nc2nccs2)c1=O 31810770 BYEHJHVLUIJJQN-UHFFFAOYSA-N 323.290 -0.049 5 20 DBBD CN(CC(N)=O)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 52830806 WTVIGKFSINOLCA-UHFFFAOYSA-N 310.266 -0.321 5 20 DBBD COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](O)[C@@H](N(C)C)C2)n1 292463770 YACOIAJBVZEXJR-QWRGUYRKSA-N 310.310 -0.113 5 20 DBBD NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCn2ncnc2C1 351548311 QJOBAXDAYZWSBW-UHFFFAOYSA-N 324.322 -0.146 5 20 DBBD COC(=O)c1cn(C2CN(c3ncc([N+](=O)[O-])c(N)n3)C2)nn1 354803258 JHPJRDHENQJPAF-UHFFFAOYSA-N 320.269 -0.594 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(C(=O)C2CC2)C1 422013146 KHPHNISGYLVUCA-UHFFFAOYSA-N 320.305 -0.205 5 20 DBBD O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCNC1 428171469 SOBPEDXOKALHBT-NSHDSACASA-N 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COCCS(=O)(=O)NC(=O)CCn1cc([N+](=O)[O-])nc1C 732524134 PAMAVEHNECXPSO-UHFFFAOYSA-N 320.327 -0.418 5 20 DBBD Cc1ccn(C)c1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 991026122 BAFSBGBODQNCKV-GHMZBOCLSA-N 306.322 -0.061 5 20 DBBD O=C(CCn1cnnn1)NCCCNc1ncccc1[N+](=O)[O-] 1094541387 MAZVPWVGGAMQIL-UHFFFAOYSA-N 320.313 -0.015 5 20 DBBD O=C(Cn1ncnn1)NCCCNc1ccnc(O)c1[N+](=O)[O-] 1094599385 IRNUJPSAIUZXHQ-UHFFFAOYSA-N 322.285 -0.700 5 20 DBBD CC(C)(C)c1n[nH]c(CNCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 1126936671 PZOLWRSEHPWEPE-RKDXNWHRSA-N 310.358 -0.027 5 20 DBBD CNS(=O)(=O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 339495415 YMPJCYMGIFUHHR-UHFFFAOYSA-N 317.371 -0.195 5 20 DBBD CCn1cc(S(=O)(=O)N(C)C2CC(O)C2)c([N+](=O)[O-])n1 352997716 DKBKYEJSAVNHLN-UHFFFAOYSA-N 304.328 -0.045 5 20 DBBD O=C(NC1CC1)N[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 354977307 YQDAMBKEOMYSBY-SNVBAGLBSA-N 322.325 -0.146 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])cn1)NCCCN1C(=O)CCC1=O 357722537 VFKMMPXSENUJFU-UHFFFAOYSA-N 309.282 -0.553 5 20 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O=[N+]([O-])c1c(-c2nn[nH]n2)cccc1N1CC(NC2COC2)C1 1593466826 MMXKGZAUMXNORP-UHFFFAOYSA-N 317.309 -0.048 5 20 DBBD O=C(NCCc1ccccc1[N+](=O)[O-])N1CC(O)(C(=O)O)C1 1601514952 LMUSCVQKEPVYIB-UHFFFAOYSA-N 309.278 -0.022 5 20 DBBD O=C(O)c1cc([N+](=O)[O-])cn(C[C@H]2CCS(=O)(=O)C2)c1=O 1602300716 SAIJEOPBCDPQHX-SSDOTTSWSA-N 316.291 -0.111 5 20 DBBD CN1CC[C@@](O)(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 1604856199 VWTXNASWBDIRCP-GFCCVEGCSA-N 320.313 -0.352 5 20 DBBD O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1N1CC[C@@H](O)[C@H](CO)C1 1607083046 VJAXBNRKLXQWNI-JOYOIKCWSA-N 320.309 -0.046 5 20 DBBD CN1C(=O)CN(NC(=O)COc2ccc([N+](=O)[O-])cc2)C1=O 271243581 CDMLBHLHGNRSEO-UHFFFAOYSA-N 308.250 -0.101 5 20 DBBD CNC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCO1 273138316 TUCGOHHFUOUMLU-NSHDSACASA-N 309.278 -0.113 5 20 DBBD COCCCN(CCO)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 276064816 VQDPYPOVVZSERO-UHFFFAOYSA-N 313.310 -0.386 5 20 DBBD CS(=O)(=O)c1cc(C(=O)N2CC(O)C2)cc([N+](=O)[O-])c1 331949118 KEYWWXGWMPULNU-UHFFFAOYSA-N 300.292 -0.185 5 20 DBBD COCCn1cc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cn1 337176116 IPOUESLYGKQPRA-UHFFFAOYSA-N 308.298 -0.049 5 20 DBBD COC[C@@H](O)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 338489011 HENDXAABCOTEDM-ZETCQYMHSA-N 305.312 -0.339 5 20 DBBD COCCN(C)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 339252851 IHRQPOZXXXTAEB-UHFFFAOYSA-N 317.323 -0.039 5 20 DBBD CCS(=O)(=O)NCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] 343364327 BIRURYQZHUAWJP-UHFFFAOYSA-N 305.316 -0.623 5 20 DBBD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CO)C(N)=O 352630318 NLYJFSQDEKPEPO-MRVPVSSYSA-N 303.296 -0.972 5 20 DBBD CN(CC(=O)N1C[C@@H](O)C[C@@H]1CO)c1ccccc1[N+](=O)[O-] 366696777 PAFVMVSACDKRNZ-MNOVXSKESA-N 309.322 -0.015 5 20 DBBD CN1CCNC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 420460061 RRNHBZHHAXHINH-MRVPVSSYSA-N 320.396 -0.162 5 20 DBBD CCc1[nH]nc(C(=O)N[C@H](COC)C(=O)OC)c1[N+](=O)[O-] 444350172 FYBRHBMIMOSCSK-SSDOTTSWSA-N 300.271 -0.202 5 20 DBBD Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCNc1ccn(C)n1 581372093 UHWVTBRMTRQTBI-UHFFFAOYSA-N 321.341 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301.288 -0.514 5 20 DBBD O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1COc2ccccc2[C@@H]1O 752921796 PITLMUISLPAZBF-CABZTGNLSA-N 319.277 -0.203 5 20 DBBD O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cnco1 980071698 XCRGTAZYBJOQAP-ZYUZMQFOSA-N 308.294 -0.036 5 20 DBBD CCn1cc(CCN2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 1030292488 LBBAJCIOPCRKQM-CHWSQXEVSA-N 307.354 -0.089 5 20 DBBD C[C@H]1[C@@H](C)N(C(=O)c2c([N+](=O)[O-])cnn2C)CCS1(=O)=O 1116432543 SMLPUHGRRJLBIW-SFYZADRCSA-N 316.339 -0.024 5 20 DBBD C[C@@H]1C[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CO1 1118157976 KFRHMFZOEBWTBK-RKDXNWHRSA-N 311.298 -0.799 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H](c2nc[nH]n2)C1 1329383478 QEIMHGTZTYBQPT-SECBINFHSA-N 318.293 -0.109 5 20 DBBD Cn1cc([N+](=O)[O-])cc1C(=O)n1ncc(-c2nn[nH]n2)c1N 1592577742 QKISYBDJCAHBAM-UHFFFAOYSA-N 303.242 -0.419 5 20 DBBD C[C@H](CC(N)=O)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 353364109 NZLVDTDDSGWILC-MRVPVSSYSA-N 308.294 -0.295 5 20 DBBD CN(C)C(=O)COC1CN(C(=O)c2cc([N+](=O)[O-])nn2C)C1 359502242 NCGCUXZGBYZCKD-UHFFFAOYSA-N 311.298 -0.743 5 20 DBBD COCC[C@@H](CO)NS(=O)(=O)c1cccnc1[N+](=O)[O-] 547312995 XDJTZMCPEDAQEQ-QMMMGPOBSA-N 305.312 -0.335 5 20 DBBD Nc1nccc(C(=O)N2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] 594318231 MTISERBQMLKAHJ-JTQLQIEISA-N 321.337 0.119 5 20 DBBD CC(C)(C)n1nnc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 594576849 BULHVZQJKMJPTG-JTQLQIEISA-N 324.345 -0.317 5 20 DBBD Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)n1 599492432 AIXBCDLDNOUOHV-KNVOCYPGSA-N 317.327 -0.787 5 20 DBBD CN(C)C[C@H](O)CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] 758836655 GKIMDMSXTITEHT-MRVPVSSYSA-N 318.355 -0.423 5 20 DBBD NS(=O)(=O)[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 776592941 DKAWKEUQZLAWEO-NWDGAFQWSA-N 315.351 -0.009 5 20 DBBD C[C@H]1CN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC(=O)N1 840132203 IPVFPGASYUACMZ-QMMMGPOBSA-N 318.289 -0.031 5 20 DBBD O=C(NC1CN(C(=O)c2ccccc2O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 991282112 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CCn1cc(S(=O)(=O)N2CCO[C@@H](CN)C2)c([N+](=O)[O-])n1 358439186 GONYNGUWRINWNA-QMMMGPOBSA-N 319.343 -0.841 5 20 DBBD NC(=O)CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 364389791 XEMMKYYMVSHHTN-UHFFFAOYSA-N 322.321 -0.066 5 20 DBBD CNS(=O)(=O)[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 370025993 HSVPNGMEAXTFMZ-SNVBAGLBSA-N 317.371 -0.195 5 20 DBBD NC(=O)c1cccc([N+](=O)[O-])c1NCC(=O)N1CCOCC1 420611364 NFSKTGSCYYOMKB-UHFFFAOYSA-N 308.294 -0.036 5 20 DBBD O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H](O)CN2CCCC2)c1 521436183 OAVPSYIJOTWMGH-OLZOCXBDSA-N 313.358 -0.802 5 20 DBBD C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@@H](CO)O1 527042424 YYJAGBUIZNDZPX-BDAKNGLRSA-N 317.323 -0.240 5 20 DBBD CCS(=O)(=O)C[C@H](C)NC(=O)c1ccnc(N)c1[N+](=O)[O-] 548742210 RCTSKFVNQMBUFX-ZETCQYMHSA-N 316.339 0.125 5 20 DBBD COCC(=O)N(C)CC(=O)OCCn1c([N+](=O)[O-])cnc1C 759255970 OWZLCHXORAFTDM-UHFFFAOYSA-N 314.298 -0.252 5 20 DBBD O=[N+]([O-])c1cnc(NCCn2ncnn2)c(-c2nn[nH]n2)c1 823652282 YMUBCCTZFAWUIJ-UHFFFAOYSA-N 303.246 -0.732 5 20 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CC(CO)(CO)Nc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] 1589881486 SBBVMXYJCADORS-UHFFFAOYSA-N 300.300 -0.008 5 20 DBBD O=C(O)c1cc(C2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)[nH]n1 1602251859 OQJBIQDQTALLJR-UHFFFAOYSA-N 320.265 -0.161 5 20 DBBD CNS(=O)(=O)CC(=O)NCc1cc([N+](=O)[O-])ccc1OC 267646463 QPWPBEKAJNUNBO-UHFFFAOYSA-N 317.323 -0.231 5 20 DBBD COC(=O)[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 267803505 YPLNSXNQGSERNX-GFCCVEGCSA-N 309.278 -0.176 5 20 DBBD NC(=O)c1cc([N+](=O)[O-])cnc1NCC(=O)N1CCOCC1 271927901 VYTJGEJGZUYMIX-UHFFFAOYSA-N 309.282 -0.641 5 20 DBBD CN1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 272468182 HZXFULWKZRDSIV-UHFFFAOYSA-N 300.340 -0.006 5 20 DBBD C[C@@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)O 426706764 WVNFTTGRZJBESB-MRVPVSSYSA-N 324.293 -0.017 5 20 DBBD CCS(=O)(=O)N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 548949769 ZCANLSHCSMPRFW-UHFFFAOYSA-N 317.327 -0.575 5 20 DBBD C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] 549175546 FGAVRQKMOMALEG-NKWVEPMBSA-N 302.312 -0.035 5 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5 20 DBBD O=C(N[C@@H]1CCNC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 419889901 SNZOHDPSUVOLBB-GFCCVEGCSA-N 318.333 -0.042 5 20 DBBD Cn1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)c(=O)n(C)c1=O 564326103 SHBJXALVJYNNLP-UHFFFAOYSA-N 319.277 -0.173 5 20 DBBD O=[N+]([O-])c1cnn(C[C@H](O)CNCCN2CCCOCC2)c1 564873704 RQZZFHIQYOSWGR-CYBMUJFWSA-N 313.358 -0.536 5 20 DBBD CNc1nccc(C(=O)N2CC[C@H](NC(N)=O)C2)c1[N+](=O)[O-] 594331214 KJLPEHBKHAEDAK-ZETCQYMHSA-N 308.298 -0.086 5 20 DBBD CNC(=O)CCN(C)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] 598592028 CNTFOVXBBGXEKV-UHFFFAOYSA-N 324.341 -0.206 5 20 DBBD COC(=O)[C@@H]1C[C@H](F)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 619514252 GSRNECVXDRKACO-GDPRMGEGSA-N 316.289 -0.262 5 20 DBBD CN1C(=O)CN(CC(=O)OCCn2cc([N+](=O)[O-])cn2)C1=O 860307057 XUDOUOWJMYNBQZ-UHFFFAOYSA-N 311.254 -0.772 5 20 DBBD O=C(CN1CCCC1)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 979747079 HOYYSFXXCYSSGB-FDYHWXHSSA-N 324.381 -0.242 5 20 DBBD O=C(NCC1CN(C(=O)Cn2ccnc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] 1001796912 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CNC(=O)CN(C)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 60884674 MQBUFMCOVZDRTC-VIFPVBQESA-N 322.321 -0.083 5 20 DBBD Nc1c(C(=O)NCCS(N)(=O)=O)cc(F)cc1[N+](=O)[O-] 220808844 YWZVPVQBTVJFPQ-UHFFFAOYSA-N 306.275 -0.666 5 20 DBBD O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN2C(=O)NC[C@H]2C1 269084226 DWQMDWCCLWHCAR-VIFPVBQESA-N 323.313 -0.790 5 20 DBBD COC(=O)c1cnc(N2CCN3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 276684039 GHFPBYKAKPYWKO-SECBINFHSA-N 321.293 -0.010 5 20 DBBD Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[C@H](C)O)CC1 330575491 OIISKBSWNZBIAA-JTQLQIEISA-N 322.321 -0.037 5 20 DBBD CCNC(=O)CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] 352411640 ZCRWWSMYJOJWJO-UHFFFAOYSA-N 302.312 -0.210 5 20 DBBD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCNc1cnccn1 354446230 NFAVKRFWAASGPH-UHFFFAOYSA-N 318.293 -0.225 5 20 DBBD COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccn(C)n1 355167213 RRYHXQLAZDYAKR-SECBINFHSA-N 308.254 -0.305 5 20 DBBD Cn1cc(CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)nn1 611930480 MDKWJFQNPQXNCZ-UHFFFAOYSA-N 312.311 -0.017 5 20 DBBD CN(CC(=O)NCCn1cnnn1)c1ccccc1[N+](=O)[O-] 819459880 ZDDYJTJKQFHVMF-UHFFFAOYSA-N 305.298 -0.166 5 20 DBBD O=C(NN1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])c(O)c1 862738388 SWYHYGXNVACOLV-UHFFFAOYSA-N 315.307 -0.324 5 20 DBBD Cc1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 954235219 QTSZVENDVUZDKF-MWLCHTKSSA-N 308.294 -0.069 5 20 DBBD Cc1nccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 991289890 HCAQLLHLNOIOKO-MWLCHTKSSA-N 305.294 -0.609 5 20 DBBD COc1nc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)co1 1001797123 VROQFHCFNBGLEJ-PSASIEDQSA-N 324.293 -0.463 5 20 DBBD Cc1ncc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1C 1003793149 XJBMPKVIRYAJNP-GHMZBOCLSA-N 321.337 -0.418 5 20 DBBD O=C(N[C@H]1[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@@H]21)c1cnn[nH]1 1060489483 VYGGFHKWHVJARM-VROVMSAKSA-N 315.293 -0.028 5 20 DBBD Cn1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cn2)ncc1=O 1094290374 FSSYCUZMKLWUOO-UHFFFAOYSA-N 318.293 -0.075 5 20 DBBD Cc1[nH]nc(C(=O)NC[C@H](C)N2CCN(C)CC2)c1[N+](=O)[O-] 1116065833 YLVJMHGXTBYPEE-VIFPVBQESA-N 310.358 -0.008 5 20 DBBD Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 1323237759 IDMKKDGYOJMYEA-ZJUUUORDSA-N 309.326 -0.079 5 20 DBBD NS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 40378930 PCJQYNPVRKIRLQ-UHFFFAOYSA-N 314.323 -0.444 5 20 DBBD CC[C@H](O)CN1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 270801005 NRLZPMSLRZVXTC-JTQLQIEISA-N 311.342 -0.143 5 20 DBBD Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCO)CCO 275182230 AXIPMAQWPWXBBJ-UHFFFAOYSA-N 311.294 -0.345 5 20 DBBD Cc1cc(OCC(=O)NCCS(N)(=O)=O)ccc1[N+](=O)[O-] 281502912 JQCYJUVOOUTYEJ-UHFFFAOYSA-N 317.323 -0.313 5 20 DBBD C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])[nH]n2)CCN1S(C)(=O)=O 285803971 MAHDEVDYPPWESV-ZETCQYMHSA-N 317.327 -0.576 5 20 DBBD Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@@H](O)CN 313163437 IDPLSFQNZPEPID-VIFPVBQESA-N 303.340 -0.157 5 20 DBBD CCn1cc(S(=O)(=O)N2CC[C@](F)(CO)C2)c([N+](=O)[O-])n1 338421299 OTOMIJUNNCYLJK-SNVBAGLBSA-N 322.318 -0.094 5 20 DBBD COC(=O)[C@@H](O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N 345325531 TTYSRXWFRFLRNH-QMMMGPOBSA-N 301.230 -0.420 5 20 DBBD NC(=O)c1csc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 345523296 GGVIQMDAJIHWRA-UHFFFAOYSA-N 323.290 -0.049 5 20 DBBD COCCC(=O)N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 356697121 INQYFNUCOIUELX-UHFFFAOYSA-N 311.298 -0.361 5 20 DBBD O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H](CO)[C@@H]1CCOC1 361242501 FLRDVTFMWZONGT-MNOVXSKESA-N 312.326 -0.057 5 20 DBBD NC(=O)CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 362603348 SPJBRJHLKFVQMT-UHFFFAOYSA-N 320.261 -0.818 5 20 DBBD CNc1nc(C(=O)NC2(c3nn[nH]n3)CC2)ccc1[N+](=O)[O-] 456027436 RHINUKVJCNLSRB-UHFFFAOYSA-N 304.270 -0.036 5 20 DBBD NC(=O)C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CCO1 599188965 YFNJFJOJKARLPJ-JTQLQIEISA-N 310.310 -0.250 5 20 DBBD Nc1cccc([N+](=O)[O-])c1C(=O)N(CCO)CCOCCO 600117499 VMFPLRIGXUQOQJ-UHFFFAOYSA-N 313.310 -0.380 5 20 DBBD C[C@@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(N)=O 748383772 WGIWIUWSOJIZPU-MRVPVSSYSA-N 324.293 -0.189 5 20 DBBD O=C1C[C@H](C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)CCN1 761420741 GSRVOWVPVGWLNE-SECBINFHSA-N 309.278 -0.174 5 20 DBBD CCONC(=O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 846499494 SFMQWVFYVWEKGO-UHFFFAOYSA-N 324.293 -0.492 5 20 DBBD O=C(N[C@H]1[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]21)c1cccnc1 976056894 HMXMWESIYBZJEV-LBELIVKGSA-N 316.317 -0.067 5 20 DBBD O=C(NCC1=CCN(Cc2nc(O)n[nH]2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] 1000674361 NZFWLTOWHOQQKB-NXEZZACHSA-N 322.325 -0.576 5 20 DBBD Cc1nocc1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1001810461 MOARBIMVTVHHBS-MWLCHTKSSA-N 308.294 -0.164 5 20 DBBD NC(=O)[C@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1116259576 JPOUPZAUVRIXQO-SECBINFHSA-N 308.294 -0.377 5 20 DBBD C[C@H](O)c1cn(C2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)nn1 1320297334 LGJKJPYWPXCGGQ-QMMMGPOBSA-N 321.297 -0.480 5 20 DBBD C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)S1(=O)=O 1347538797 KUXJZWSDMJXDMH-HTQZYQBOSA-N 317.327 -0.780 5 20 DBBD O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H](CO)c1cnn[nH]1 1578051590 OKHSGFFVOXKCBK-SSDOTTSWSA-N 314.283 -0.880 5 20 DBBD C[C@@H]1CN(CCn2cc([N+](=O)[O-])c(-c3nn[nH]n3)n2)CCO1 1590308336 MARCTOKPNXVVOT-MRVPVSSYSA-N 308.302 -0.308 5 20 DBBD Cc1cc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)ncc1[N+](=O)[O-] 131124254 VLMIPRNGGBMKKI-SECBINFHSA-N 305.294 -0.555 5 20 DBBD CNC(=O)[C@@H]1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 161857086 JHFGBGCNXCPWQP-SNVBAGLBSA-N 324.341 -0.041 5 20 DBBD Cc1cc(S(=O)(=O)N(CCO)CC(=O)O)ccc1[N+](=O)[O-] 275241779 GTLCPTKCDGOFBV-UHFFFAOYSA-N 318.307 -0.029 5 20 DBBD C[C@@H]1CCN(S(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)C1 349115427 CYTJWMYWICNIDN-SECBINFHSA-N 303.344 -0.033 5 20 DBBD Cc1nn(CCC(=O)NCCn2ncnn2)c(C)c1[N+](=O)[O-] 353023288 AWZRFBZAYKNXPP-UHFFFAOYSA-N 308.302 -0.399 5 20 DBBD Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 354542880 CIFXVANEZJJKLL-VIFPVBQESA-N 319.277 -0.447 5 20 DBBD CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@H](O)[C@H](O)C2)s1 433791674 JDIFBBCERKCMOT-KNVOCYPGSA-N 308.337 -0.398 5 20 DBBD O=C1C[C@H](NCc2nn[nH]n2)C(=O)N1c1cccc([N+](=O)[O-])c1 593919816 FVDGELDENQLCBM-VIFPVBQESA-N 317.265 -0.470 5 20 DBBD Cc1cc(C(=O)NCC(=O)N2C[C@H](O)[C@@H](O)C2)ccc1[N+](=O)[O-] 600216021 OZTWLWJHIAYOIQ-RYUDHWBXSA-N 323.305 -0.803 5 20 DBBD Nc1nccc(C(=O)OCCN2C(=O)CNC2=O)c1[N+](=O)[O-] 848787414 QOASYTPSGBQCQW-UHFFFAOYSA-N 309.238 -0.719 5 20 DBBD CON(C)C(=O)[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 863704888 SXLZZRUJUCSFAW-MRVPVSSYSA-N 312.282 -0.719 5 20 DBBD CN(C(=O)Cc1cnn(C)c1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 953867377 HPNGZXQVBZJDBQ-VXGBXAGGSA-N 321.337 -0.703 5 20 DBBD Cc1ccoc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 1041467811 BUOIGFCGPMWDIK-NXEZZACHSA-N 323.305 -0.444 5 20 DBBD O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC(n2cc(CNCC3CC3)nn2)C1 1093318969 UHUFIDKOBIOXQC-CHWSQXEVSA-N 320.353 -0.174 5 20 DBBD Cc1cc(NCCNC(=O)Cn2ncnn2)ncc1[N+](=O)[O-] 1093889950 QFWWIRGCLLWSPC-UHFFFAOYSA-N 306.286 -0.487 5 20 DBBD CN(CCNC(=O)CNC(N)=O)c1ccc(F)cc1[N+](=O)[O-] 1099910590 JPXKIHIOWAHPCQ-UHFFFAOYSA-N 313.289 -0.045 5 20 DBBD CC(C)N(C)C(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 1112835911 UDOBSHRHVMSUIG-VXGBXAGGSA-N 312.370 -0.337 5 20 DBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN([C@H]2CCNC2)CC1 1349130909 HKMRWXZXFUMPEQ-JTQLQIEISA-N 308.342 -0.552 5 20 DBBD CN(CCn1cnnc1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] 1591123679 SAXNUYCRHIKXIP-UHFFFAOYSA-N 316.285 -0.102 5 20 DBBD O=C(NCc1cncc(-c2nn[nH]n2)c1)c1c[nH]nc1[N+](=O)[O-] 1593149952 ILKMWIZERDKNFN-UHFFFAOYSA-N 315.253 -0.177 5 20 DBBD CO[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](C(=O)O)C1 1599117813 OINADYPWLQSLPI-HTQZYQBOSA-N 313.270 -0.723 5 20 DBBD C[C@@H](O)CN(CCO)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1609129728 YORCDBFGMWCSQI-SECBINFHSA-N 322.325 -0.050 5 20 DBBD C[C@H](O)CN(CCO)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] 1609129729 YORCDBFGMWCSQI-VIFPVBQESA-N 322.325 -0.050 5 20 DBBD O=C(O)c1cccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 1610850029 YWHJREMVLYIKDT-RKDXNWHRSA-N 314.275 -0.145 5 20 DBBD CCNS(=O)(=O)[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 271404497 SCCMOEZSCKNURF-MRVPVSSYSA-N 303.344 -0.154 5 20 DBBD Nc1nc(N2CCN(CC(=O)NC3CC3)CC2)ncc1[N+](=O)[O-] 298705714 GEXXYDOFABEUON-UHFFFAOYSA-N 321.341 -0.632 5 20 DBBD C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)c1c([N+](=O)[O-])cnn1C 330988489 MBFANFYBWCBPQJ-VHSXEESVSA-N 311.342 -0.145 5 20 DBBD CNC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 346863292 TVDCLBURHBJTFS-BDAKNGLRSA-N 322.321 -0.036 5 20 DBBD C[C@@]1(C(N)=O)CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 358350897 FSVCNVMFQIIIRO-CYBMUJFWSA-N 308.294 -0.520 5 20 DBBD Cc1c(NC(=O)C(=O)NC[C@@](C)(O)CO)cccc1[N+](=O)[O-] 362209457 CBWVQARUOSYXMU-CYBMUJFWSA-N 311.294 -0.299 5 20 DBBD NC(=O)c1cc([N+](=O)[O-])cnc1NCCCc1nc(O)n[nH]1 362268889 LMIPVFRGUHKAOO-UHFFFAOYSA-N 307.270 -0.043 5 20 DBBD COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1cc([N+](=O)[O-])cnc1N 444439800 WHUFCAHZBLZCFC-NXEZZACHSA-N 324.293 -0.290 5 20 DBBD CN(C)C(=O)N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 594229997 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O=C(CNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])NCCO 1592874667 OHWPIRPOSVMPMR-UHFFFAOYSA-N 307.270 -0.705 5 20 DBBD CS(=O)(=O)N1CCC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 63249000 PXMRVHQWWGCZIC-SSDOTTSWSA-N 316.343 -0.197 5 20 DBBD CN(C)c1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)cn1 338082615 CZKRMPFZIZASBT-UHFFFAOYSA-N 305.298 -0.036 5 20 DBBD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CO)C(N)=O)c1C 352598367 WVUHCUHHTHEKNA-QMMMGPOBSA-N 317.323 -0.664 5 20 DBBD COCCO[C@H]1COCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 354839298 DKNMSMCXFSVJEP-WPRPVWTQSA-N 314.298 -0.132 5 20 DBBD Cn1cc([C@@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]2CO)cn1 436442322 AYEZXABASUYVIK-UWVGGRQHSA-N 319.325 -0.087 5 20 DBBD Nc1nccc(C(=O)NC[C@]2(O)CN3CCC2CC3)c1[N+](=O)[O-] 563397496 LTDKVWQECCBIAC-AWEZNQCLSA-N 321.337 -0.242 5 20 DBBD COC[C@H](O)CNC[C@H](O)COc1ccccc1[N+](=O)[O-] 567877329 MSHMCCSRQVUPDR-MNOVXSKESA-N 300.311 -0.069 5 20 DBBD Nc1nccc(C(=O)NC[C@H](O)COCC2CC2)c1[N+](=O)[O-] 581378168 AXEODFRQMVUVRW-VIFPVBQESA-N 310.310 0.089 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CC(=O)N(C)CCN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 1102409566 IGMBUTXSRBNIFG-UHFFFAOYSA-N 323.357 -0.433 5 20 DBBD Cn1cc([C@@H](CO)NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cn1 1116393873 ZBECAHDJZANPRP-LLVKDONJSA-N 321.293 -0.660 5 20 DBBD O=C1N[C@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@@H]2CO1 1118279567 KVDKLCSRPGRVPU-SFYZADRCSA-N 310.270 -0.857 5 20 DBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CCc2cnc(N)nc2C1 1331479579 VQKLNRDEIJWXPV-UHFFFAOYSA-N 303.282 -0.101 5 20 DBBD CC(=O)NCC[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 1347502310 CSMGDDBCTCJKFG-LLVKDONJSA-N 324.341 -0.049 5 20 DBBD C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C(=O)O)O1 1599928660 UFOGIUVPWRPRLE-ONGXEEELSA-N 311.294 -0.070 5 20 DBBD COC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O 265480490 SGZKCOUEEHIURF-QMMMGPOBSA-N 305.312 -0.339 5 20 DBBD Cc1cc(C)c(S(=O)(=O)N2C[C@H](O)[C@H](O)C2)cc1[N+](=O)[O-] 277454789 IGIDFZNEMGGPNU-PHIMTYICSA-N 316.335 -0.062 5 20 DBBD COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1C(=O)CNC1=O 354449470 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DBBD CN(CCOCCNc1ncccc1[N+](=O)[O-])C(=O)C(N)=O 1127457844 NLFARAYRZPWTAJ-UHFFFAOYSA-N 311.298 -0.638 5 20 DBBD CCCn1nnnc1CNCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1157775591 RGYBSRXIBRAVID-NXEZZACHSA-N 311.346 -0.656 5 20 DBBD COC(=O)C1(O)CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 1254238088 LQKNUMNPTFUYJV-UHFFFAOYSA-N 312.282 -0.532 5 20 DBBD CNS(=O)(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 1324601800 QISNDMLMLMRBLG-UHFFFAOYSA-N 317.327 -0.528 5 20 DBBD Cn1nccc1[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)O 1594594155 AGTVQGBKZYVDAH-KOLCDFICSA-N 324.297 -0.699 5 20 DBBD CN1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1=O 265815012 GLFZYFBZNYEKDS-UHFFFAOYSA-N 314.323 -0.479 5 20 DBBD COCCN(CCOC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 266459002 PQCMYNROGFQSQJ-GFCCVEGCSA-N 302.331 -0.253 5 20 DBBD CN(C)C(=O)CN(C)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O 269166591 QBUKQGLUBZWJNM-UHFFFAOYSA-N 316.339 -0.233 5 20 DBBD CCONC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 280832295 UKNKNTSAWDAETC-UHFFFAOYSA-N 303.296 -0.059 5 20 DBBD 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Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC(=O)N(C)C1=O 425089116 NCLOVALBZJRFKJ-VIFPVBQESA-N 323.309 -0.247 5 20 DBBD Cn1ccnc1[C@@H]1CNCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] 592548557 IDQSDCCEFFODBG-VIFPVBQESA-N 305.298 -0.162 5 20 DBBD CNC(=O)[C@H](O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 786900669 OTCHVNXMTZBGDI-MRVPVSSYSA-N 321.286 -0.881 5 20 DBBD CNC(=O)[C@@H](O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 786900670 OTCHVNXMTZBGDI-QMMMGPOBSA-N 321.286 -0.881 5 20 DBBD COCCNC(=O)[C@@H](C)OC(=O)Cn1ccc([N+](=O)[O-])n1 919379620 LEKLNOSUJFAKKC-MRVPVSSYSA-N 300.271 -0.514 5 20 DBBD CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)Cc2cnn(C)c2)C1 954234935 LXWGEFGOAHCMMA-VXGBXAGGSA-N 321.337 -0.703 5 20 DBBD O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccncn1 979172535 ZZPVNOKBEKVNTK-DTHBNOIPSA-N 319.321 -0.234 5 20 DBBD CC(C)OCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 1057543807 YKXHBGXHGARBRO-GHMZBOCLSA-N 317.342 -0.986 5 20 DBBD O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC(=O)N(C2CC2)C1 1256271235 UXUUQXRYJSIUEO-UHFFFAOYSA-N 306.278 -0.453 5 20 DBBD CS[C@@H](CO)[C@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 1323113633 FJZWGDXMEJKAPC-KWQFWETISA-N 315.351 -0.015 5 20 DBBD O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CCSC1 1323868347 VZDDSPUKWZTCKX-MRVPVSSYSA-N 313.339 -0.471 5 20 DBBD C[C@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(N)=O 23225189 XTXMKUPOQQYBTL-ZETCQYMHSA-N 323.261 -0.263 5 20 DBBD Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CO)C(=O)O 36983865 OFEMHQJCJSLSBG-MRVPVSSYSA-N 304.280 -0.373 5 20 DBBD Cn1cc(N2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)cn1 173656470 XZAZLJSDWMIMFP-UHFFFAOYSA-N 319.325 -0.126 5 20 DBBD COC(=O)CNC(=O)c1ccc(NCC(=O)O)c([N+](=O)[O-])c1 262138756 PHWZIGNJTGJFOT-UHFFFAOYSA-N 311.250 -0.006 5 20 DBBD CN(CC(=O)NC[C@](C)(O)C(=O)O)c1ccccc1[N+](=O)[O-] 262436250 CFPWHWUIXCGWGC-ZDUSSCGKSA-N 311.294 -0.017 5 20 DBBD C[C@@H]1CO[C@@H](CO)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O 344221474 HRSZOXVCLGMRLF-MWLCHTKSSA-N 311.294 -0.635 5 20 DBBD CNC(=O)[C@@H](C)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 346845470 DYSXRMNOXZFRNH-SECBINFHSA-N 322.321 -0.116 5 20 DBBD Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@H]1CNC(N)=O 347163754 WTRVGJMPMPXZSS-QMMMGPOBSA-N 310.314 -0.009 5 20 DBBD NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 362611310 RITHVCJBVKTNPL-QMMMGPOBSA-N 324.293 -0.216 5 20 DBBD COC[C@@](C)(CC(=O)OC)NC(=O)Cn1ccc([N+](=O)[O-])n1 487964666 QJXAFXJNAZDIPU-GFCCVEGCSA-N 314.298 -0.124 5 20 DBBD CNC(=O)NC(=O)[C@@H](C)Sc1ncc([N+](=O)[O-])c(N)n1 584064873 PTJRVSCJXBKHRZ-SCSAIBSYSA-N 300.300 -0.097 5 20 DBBD CNS(=O)(=O)c1ccc(NCCNC(N)=O)c([N+](=O)[O-])c1 609840004 XPCGTQZILDTMKK-UHFFFAOYSA-N 317.327 -0.417 5 20 DBBD NC(=O)CN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 750032680 PFUHAISDMFVHRX-CYBMUJFWSA-N 308.338 -0.269 5 20 DBBD CCS(=O)(=O)NCCCOC(=O)Cn1ccc([N+](=O)[O-])n1 753349931 FIFKYTOSPWHWDH-UHFFFAOYSA-N 320.327 -0.336 5 20 DBBD O=C1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCCN1 856727928 HGOABHKJFWRVSC-UHFFFAOYSA-N 322.325 -0.452 5 20 DBBD O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cccnn1 979755137 IBANQIUCPYZYAM-DNRKLUKYSA-N 319.321 -0.234 5 20 DBBD Cn1cc(CCN2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 1031661029 KNXXCGGTZBKTLD-CHWSQXEVSA-N 307.354 -0.324 5 20 DBBD CNC(=O)[C@@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CCO1 1320254206 FDQIZDZQWCOOKP-QMMMGPOBSA-N 311.298 -0.776 5 20 DBBD